Table of Contents Sourcefiles Index Directories Functions Modules Programs Structures Types

Index

A - B - C - D - E - F - G - H - I - J - K - L - M - N - O - P - Q - R - S - T - U - V - W - X - Y - Z - 0 - 1 - 2 - 3 - 4 - 5 - 6 - 7 - 8 - 9

recparall_type

1

11_memory_mpi 12_hide_mpi 13paw 14_hidewrite 14wfs 16_hideleave 17_gpu_toolbox 17_libtetra_ext 18_timing

2

20_datashare 21_hashfuncs 21_hashfuncs/tests/test_md5_sum_from_file 21_hashfuncs/tests/test_md5_sum_from_string 27_toolbox_oop 28_kpoints 28_numeric_noabirule

3

32_util 33_xc_lowlevel 39_libpaw

4

41_geometry 42_nlstrain 42_parser 43_ptgroups 43_wvl_wrappers 44_abitools 44_abitypes_defs 45_geomoptim 45_xgTools 46_manage_cuda 48_diago 49_gw_toolbox_oop

5

51_manage_mpi 52_abiutil 52_fft_mpi_noabirule 53_ffts 54_spacepar 56_io_mpi 56_mixing 56_recipspace 56_xc 57_iopsp_parser 57_iovars

6

61_occeig 62_cg_noabirule 62_ctqmc 62_iowfdenpot 62_poisson 62_wvl_wfs 65_lotf_base 65_psp 66nonlocal 67_common 68_dmft 68_lotf 68_recursion 68_rsprc 69_wfdesc

7

70_gw 71_bse 72_response 77_ddb 77_suscep 78_effpot 78_eph 79_seqpar_mpi

8

80_tdep

9

94_scfcv 95_drive 98_main

_

_02_clib_ _02_clib_ _10_defs_ _11_memory_mpi_ _12_hide_mpi_ _14_hidewrite_ _16_hideleave_ _17_gpu_toolbox_ _17_libtetra_ext_ _18_timing_ _21_hashfuncs_ _27_toolbox_oop_ _28_numeric_noabirule_ _29_kpoints_ _32_util_ _33_xc_lowlevel_ _39_libpaw_ _41_geometry_ _42_nlstrain_ _42_parser_ _43_ptgroups_ _43_wvl_wrappers_ _44_abitools_ _44_abitypes_defs_ _45_geomoptim_ _45_xgTools_ _46_manage_cuda_ _48_diago_ _49_gw_toolbox_oop_ _51_manage_mpi_ _52_fft_mpi_noabirule_ _53_ffts_ _54_spacepar_ _55_abiutil_ _56_io_mpi_ _56_mixing_ _56_recipspace_ _56_xc_ _57_iopsp_parser_ _57_iovars_ _61_occeig_ _62_cg_noabirule_ _62_ctqmc_ _62_iowfdenpot_ _62_poisson_ _62_wvl_wfs_ _64_psp_ _65_lotf_base_ _65_paw_ _66_nonlocal_ _66_vdwxc_ _66_wfs_ _67_common_ _67_python_invocation_ext _67_python_invocation_ext_ _67_triqs_ext_ _67_triqs_ext_ _68_dmft_ _68_lotf_ _68_recursion_ _68_rsprc_ _69_wfdesc_ _70_gw_ _71_bse_ _71_wannier_ _72_response_ _77_ddb_ _77_suscep_ _78_effpot_ _78_eph_ _79_seqpar_mpi_ _80_tdep_ _94_scfcv_ _95_drive_ _98_main_

A

a2fw_ee_write a2fw_free a2fw_get_moment a2fw_init a2fw_t a2fw_tr_free a2fw_tr_init a2fw_tr_moment a2fw_tr_t a2fw_tr_write a2fw_write ab7_mixing_copy_current_step ab7_mixing_deallocate ab7_mixing_eval ab7_mixing_eval_allocate ab7_mixing_eval_deallocate ab7_mixing_new ab7_mixing_use_disk_cache ab7_mixing_use_moving_atoms ab_define_var ab_dimensions ab_xfh_type abi_abort abi_cabort abi_cheev abi_chegv abi_chpev abi_chpgv abi_cpu_time abi_d2zcopy_2d abi_d2zgemm abi_d2zpotrf abi_d2ztrsm abi_d2ztrsm_3d abi_dcopy abi_dcopy_0d_1d abi_dcopy_1d abi_dcopy_1d_0d abi_dcopy_2d abi_derf abi_derfc abi_dheev abi_dhegv abi_dhpev abi_dhpgv abi_dpotrf abi_dtrsm abi_etsf_init abi_gpu_linalg.f90 abi_io_redirect abi_linalg_finalize abi_linalg_init abi_linalg_work_allocate abi_log_status_state abi_wtime abi_xcopy abi_xcopy.f90 abi_xgemm abi_xgemm.f90 abi_xheev abi_xheev.f90 abi_xhegv abi_xhegv.f90 abi_xhpev abi_xhpev.f90 abi_xhpgv abi_xhpgv.f90 abi_xorthonormalize abi_xorthonormalize.f90 abi_xpotrf abi_xpotrf.f90 abi_xtrsm abi_xtrsm.f90 abi_z2dcopy_2d abi_zcopy abi_zcopy_1d abi_zgemm_2d abi_zgemm_2r abi_zheev abi_zhegv abi_zhpev abi_zhpgv abi_zpotrf abi_zpotrf_2d abi_ztrsm abifile_from_fform abifile_from_varname abifile_t abiforstr abiforstr_fin abiforstr_ini abihist abihist_bcast_0D abihist_bcast_1D abihist_compare_and_copy abihist_copy abihist_findIndex abihist_free_0D abihist_free_1D abihist_init_0D abihist_init_1D abiimages abiimages_fin abiimages_ini abimem_abort abimem_basename abimem_get_info abimem_init abimem_record abimem_report abimem_set_snapshot_time abimem_shutdown abimem_t abimem_wtime abimover abimover_destroy abimover_ini abimover_print abimover_specs abinit abinit.F90 abinit_doctor abitk abitk.F90 abitk_show_help accumulate_chi0_q0 accumulate_chi0sumrule accumulate_sfchi0_q0 acrossb adata_type add_atomic_fcts add_int_fct add_matlu add_vnlr_commutator addout addr_copy_dp1d addr_copy_dp2d addr_copy_dp3d addr_copy_dp4d addr_copy_dp5d addr_copy_int1d addr_copy_int2d addr_copy_int3d addr_copy_int4d addrho adini afterscfloop aim aim.F90 aim_dataset_type aim_follow aim_shutdown align_u_matrices alignph alloc_copy_cdp1d alloc_copy_cdp2d alloc_copy_cdp3d alloc_copy_cdp4d alloc_copy_ch1d alloc_copy_csp1d alloc_copy_csp2d alloc_copy_csp3d alloc_copy_csp4d alloc_copy_int1d alloc_copy_int2d alloc_copy_int3d alloc_copy_int4d alloc_copy_int4d_1b alloc_copy_log1d alloc_copy_log2d alloc_copy_log3d alloc_copy_log4d alloc_copy_rdp1d alloc_copy_rdp2d alloc_copy_rdp3d alloc_copy_rdp4d alloc_copy_rdp5d alloc_copy_rdp6d alloc_hamilt_gpu alloc_on_gpu alloc_self allocate_orbital alpha_update amalgam angle_ang angle_dihedral anharmonics_terms_evaluateElastic anharmonics_terms_evaluateIFCStrainCoupling anharmonics_terms_init anharmonics_terms_type appdig append_xyz apply_block apply_d2lr_term_k apply_dl_term_k apply_invovl apply_onsite_d0_k apply_pw_k approxdelta aprxdr args_gs_free args_gs_init args_gs_type args_parser args_t array2_gwpc_free array2_gwpc_type arth_int arth_rdp asctime asr_t asria_calc asria_corr asrif9 asrprs asrq0_apply asrq0_free ass_leg_pol assemblychi0_sym assemblychi0sf assert1 assert2 assert3 assert4 assert_eq2 assert_eq3 assert_eq4 assert_eqn assert_v atddft_hyb_symepsm1 atddft_symepsm1 atdep atdep.F90 atm2fft atof atoi atom_gauss atom_index_type atom_length atom_t atomdata_from_symbol atomdata_from_znucl atomdata_t atomden atomorb_type atompaw_atompaw_shapebes atompaw_dij0 atompaw_kij atompaw_shpfun atompaw_vhnzc atprj_destroy atprj_init atprj_print atprj_type axial9

B

backAndForth bail_if_ncerr band2eps band2eps.F90 band2eps_dataset_type band2eps_dtset_free bandfft_kpt_copy bandfft_kpt_destroy bandfft_kpt_destroy_array bandfft_kpt_get_ikpt bandfft_kpt_init1 bandfft_kpt_init2 bandfft_kpt_mpi_recv bandfft_kpt_mpi_send bandfft_kpt_reset bandfft_kpt_restoretabs bandfft_kpt_savetabs bandfft_kpt_set_ikpt bandfft_kpt_type bare_vqg barevcoul basename BathOperator BathOperatoroffdiag bcp_type begins_with berryphase berryphase_new besjm bethe_salpeter bfactor bigbx9 bigdft_lib_error binomcoeff bisect_int bisect_rdp blas_cholesky_ortho_dpc blas_cholesky_ortho_spc bldgrp block_lanczos_algorithm blow_pawuj bond_atom_init bond_compute bond_dealloc bond_fit_set bond_length bond_lotf bond_matrix_alloc bond_matrix_set bond_tafit_init bonds_free bonds_lgth_angles bool2index bose_einstein bound bound_deriv box_len bracketing brdene brent bs_parameters_free bschg1 bschg2 bsp_calctype2str build_grid_scalapack build_H build_lebedev_grid build_preconditioned_Hamiltonian_Lanczos_basis build_processor_scalapack build_spectra build_vxc bz_mesh_isirred

C

calc_b_matrix calc_btinv_matrix calc_ceigr_dpc calc_ceigr_spc calc_ceikr calc_coh calc_coh_comp calc_coord calc_coord2 calc_coord_new_d calc_dbldelta Calc_Ec_GM_k calc_efg calc_eigr calc_eiqr calc_fc calc_kkweight calc_optical_mels calc_prim_int calc_rdmc calc_rdmx calc_rhop calc_rpa_functional calc_sig_ppm calc_sig_ppm_comp calc_sigc_cd calc_sigc_me calc_sigx_me calc_slatradl calc_ubare calc_ucrpa calc_vee calc_vhxc_me calc_vkb calc_wfwfg calcdenmagsph calcdVloc_mklocl calcdVloc_wvl CALCK0 CALCK1 Calcnrec calculate_pade_a calcVloc_mklocl canat9 canct9 capital cart29 cart39 carteig2d carttransf cc_derivatives ccfft ccgradvnl_ylm cchi0 cchi0q0 ccs_of_glob cdgqf cdp2rdp_1D cdp2rdp_2D cdp2rdp_3D cdp2rdp_4D cdp2rdp_5D central_finite_diff cg2seqblocks cg_addtorho cg_box2gsph cg_dznrm2 cg_envlop cg_from_reim cg_fromcplx cg_get_eigens cg_get_residvecs cg_getspin cg_gsph2box cg_hprotate_and_get_diag cg_hrotate_and_get_diag cg_kfilter cg_ncwrite cg_norm2g cg_normev cg_precon cg_precon_block cg_precon_many cg_real_zdotc cg_set_imag0_to_zero cg_setaug_zero cg_to_reim cg_tocplx cg_vlocpsi cg_zaxpby cg_zaxpy cg_zaxpy_many_areal cg_zcopy cg_zdotc cg_zdotg_zip cg_zdotu cg_zgemm cg_zgemv cg_zprecon_block cg_zscal cgcprj_cholesky cginv cgnc_cholesky cgnc_gramschmidt cgnc_gsortho cgnc_normalize cgpaw_cholesky cgpaw_gramschmidt cgpaw_gsortho cgpaw_normalize cgpr cgq_builder cgqf cgtk_change_gsphere cgtk_fixphase cgtk_rotate cgwf cgwf_cprj ch_cap ch_eqi ch_to_digit change_istwfk change_matrix char_c2f char_c_to_f char_count char_f2c char_f_to_c cheb_oracle cheb_poly chebfi chebfi_allocateAll chebfi_ampfactor chebfi_computeNextOrderChebfiPolynom chebfi_computeResidue chebfi_free chebfi_init chebfi_memInfo chebfi_oracle1 chebfi_poly1 chebfi_rayleighRitz chebfi_rayleighRitzQuotients chebfi_run chebfi_swapInnerBuffers chebfiwf2 check_degeneracies check_fform check_fourier_green check_fsumrule check_irreducibility check_kramerskronig check_kxc check_mpi_ierr check_rot_fft check_to_skip checkdiag_matlu checkreal_matlu checkResizeC checkResizeI checkResizeR chg_repr_matlu chi0_bbp_mask chi0_bksmask chi0q0_intraband chi_free chi_new chi_t chiscwrt chkdilatmx chkdpr chkgrp chki8 chkin9 chkinp chkint chkint_eq chkint_ge chkint_le chkint_ne chkint_prt chkorthsy chkpawovlp chkph3 chkprimit chkr8 chkrp9 chkrprimd chksymmetrygroup chkvars chkvars_in_string chneu9 cigfft class_matrix classify_bands clean_degeneracy_table_for_poles CleanGPU CleanRec CleanRecGPU cleanup_Lanczos_basis cleanup_LanczosResolvents cleanup_Pk_model cleanup_projected_Sternheimer_epsilon cleanupValenceWavefunctions clib_print_fmallinfo clib_rename clnmpi_atom clnmpi_grid clnmpi_img clnmpi_pert clnup1 clnup2 close_haydock close_timing_log close_unit clp clsopn cmod_qpg cmplx_sphcart coeffs_compare coeffs_gausslegint coeffs_list_append coeffs_list_conc coeffs_list_conc_onsite coeffs_list_copy coeffs_xml2effpot cohsex_me collect_datar cols combin comm comms_cubic_null compa_occup_ks compare_ddb_variables compare_int complete_gamma complete_gamma_tr complete_gkk completechi0_deltapart completeperts complex_vector_product compute_anharmonics compute_AT_shift_Lanczos compute_band_energy compute_correlations_no_model_shift_lanczos compute_correlations_shift_lanczos compute_corresp compute_dftu_energy compute_eigen1 compute_eigen2 compute_eigen_problem compute_energy compute_eps_m1_minus_eps_model_m1 compute_eps_m1_minus_one compute_eps_model_m1_minus_one compute_Exchange_and_Correlation_energies compute_generalized_eigen_problem compute_green compute_integrands_shift_lanczos compute_kgb_indicator compute_levels compute_migdal_energy compute_nb_elec compute_neighbours compute_noninterentropy compute_oper_ks2wan compute_oper_wank2realspace compute_pole_contribution compute_Poles compute_projected_BT_shift_Lanczos compute_projected_BT_shift_Lanczos_DISTRIBUTED compute_resolvent_column_shift_lanczos compute_resolvent_column_shift_lanczos_right_vectors compute_rta compute_rta_mobility computeCombinationFromList computeNorder conducti conducti.F90 conducti_nc conducti_paw conducti_paw_core conjg_matlu consist constrained_dft_free constrained_dft_ini constrained_dft_t constrained_residual constrf construct_nwli_dmft construct_nwlo_dmft cont13 cont22 cont22cso cont22so cont24 cont3 cont33cso cont33so cont35 continued_fract continued_fract_general contistr01 contistr03 contistr12 contribution contribution_bloc contstr21 contstr23 contstr25 contstr25a contstr26 convergence_degree copy_distribfft copy_from_gpu copy_green copy_hamiltonian copy_hu copy_irrep copy_kdata_0D copy_kdata_1D copy_matlu copy_mpi_enreg copy_on_gpu copy_oper copy_orbital copy_results_gs copy_results_img copy_results_out corrmetalwf1 corsifc9 coulomb_operator cpdrv cplan_many_dft cplx_addtorho_dpc cplx_box2gsph_dpc cplx_box2gsph_spc cplx_filter cplx_fromreal cplx_gsph2box_dpc cplx_gsph2box_spc cplx_real_zdotc cplx_setaug_zero_dpc cplx_setaug_zero_spc cplx_zaxpby cplx_zgemm cplx_zgemv cppm1par cppm2par cppm3par cppm4par cprj_check cprj_check_oneband cprj_rotate cprj_update cprj_update_oneband cpu_distribution cqratio create_indices_coarse create_indices_dense create_mlms2jmj create_nc_file create_slm2ylm createIonicPotential_new critic critics cross_mkcore cross_mkcore_alt cross_product_int cross_product_rdp crystal_compare crystal_free crystal_from_file crystal_from_ptgroup crystal_init crystal_ncwrite crystal_ncwrite_path crystal_point_group crystal_print crystal_print_abivars crystal_symmetrize_cart_tens33 crystal_symmetrize_cart_vec3 crystal_t crystal_without_symmetries cspint ctocprj Ctqmc ctqmc_calltriqs CtqmcInterface Ctqmcoffdiag CtqmcoffdiagInterface ctqmcoutput_printgreen ctqmcoutput_to_green ctrap ctrig cudarec current_spin cut3d cut3d.F90 cut3d_hirsh cut3d_lineint cut3d_planeint cut3d_pointint cut3d_rrho cut3d_volumeint cut3d_wffile cutoff_cylinder cutoff_init cutoff_slab cutoff_sphere cwtime cwtime_report

D

d2c_weights d2c_wtq d2cart_to_red d2frnl d2kindstr2 d2lr_Anp d2lr_p2 d2shpfunc1 d2shpfunc1_ovr2_0 d2shpfunc1_ovr2_0_2 d2shpfunc1_ovr2_0_3 d2shpfunc1_ovr2_0_4 d2shpfunc2 d2shpfunc2_ovr2_0 d2shpfunc3 d2sym3 d3sym dang_d1 dang_d2 data4entropyDMFT datafiles_type datafordmft dataset_type dbeta dble_factorial dbond_length_d1 dc_self ddb_bcast ddb_chkname ddb_copy ddb_diagoq ddb_diel ddb_diel_elec ddb_elast ddb_free ddb_from_file ddb_from_file_txt ddb_get_asrq0 ddb_get_block ddb_get_dchidet ddb_get_dielt ddb_get_dielt_zeff ddb_get_etotal ddb_get_quadrupoles ddb_getdims ddb_hdr_bcast ddb_hdr_compare ddb_hdr_free ddb_hdr_init ddb_hdr_malloc ddb_hdr_open_read ddb_hdr_open_read_txt ddb_hdr_open_write ddb_hdr_open_write_txt ddb_hdr_print ddb_init ddb_internalstr ddb_interpolate ddb_io_out ddb_lw_copy ddb_malloc ddb_oscstr ddb_piezo ddb_read_block ddb_read_eig2d ddb_read_eig2d_txt ddb_set_brav ddb_set_d2matr ddb_set_d3matr ddb_set_etotal ddb_set_gred ddb_set_pel ddb_set_qpt ddb_set_strten ddb_to_dtset ddb_type ddb_write ddb_write_block ddb_write_eig2d ddb_write_eig2d_txt ddb_write_nc ddb_write_txt ddiago_ctl_type ddihedral_d1 ddihedral_d2 ddk_red2car ddkop_apply ddkop_free ddkop_get_braket ddkop_get_vdiag ddkop_get_vnondiag ddkop_new ddkop_setup_spin_kpoint ddkop_t ddkstore_compute_ddk ddkstore_free ddkstore_t ddkten dealloc_hamilt_gpu dealloc_on_gpu decompose_epsm1 deep_copy_cdp0d deep_copy_cdp1d deep_copy_cdp2d deep_copy_cdp3d deep_copy_cdp4d deep_copy_ch1d deep_copy_csp0d deep_copy_csp1d deep_copy_csp2d deep_copy_csp3d deep_copy_csp4d deep_copy_int0d deep_copy_int1d deep_copy_int2d deep_copy_int3d deep_copy_int4d deep_copy_log0d deep_copy_log1d deep_copy_log2d deep_copy_log3d deep_copy_log4d deep_copy_rdp0d deep_copy_rdp1d deep_copy_rdp2d deep_copy_rdp3d deep_copy_rdp4d def_file_hist defad defs defs_abitypes defs_abitypes.F90 defs_basis defs_basis.F90 defs_datatypes defs_datatypes.F90 defs_elphon defs_elphon.F90 defs_fftdata defs_fftdata.F90 defs_param_lotf defs_param_lotf.F90 defs_PSolver defs_PSolver.F90 defs_rectypes defs_rectypes.F90 defs_wannier90 defs_wannier90.F90 defs_wvltypes defs_wvltypes.F90 delete_file deloc2xcart delocint delocint_fin delocint_ini denfgr denominator denpot_project denpot_spin_convert dens_hirsh dens_in_sph density_rec der_int derf_ab derfcf descript_scalapack destroy_atomorb destroy_distribfft destroy_dmft destroy_efield destroy_electronpositron destroy_energy destroy_gemm_nonlop destroy_green destroy_green_tau destroy_H destroy_hamiltonian destroy_hu destroy_invovl destroy_matlu destroy_mpi_enreg destroy_oper destroy_operwan destroy_operwan_realspace destroy_orbital destroy_plowannier destroy_primcell_ddb_info destroy_results_gs destroy_results_gs_array destroy_results_img destroy_results_out destroy_results_respfn destroy_rf_hamiltonian destroy_sc_dmft destroy_sc_dmft_paralkgb destroy_self destroy_tetra det3r devGPU_type dfpt_accrho dfpt_atm2fft dfpt_cgwf dfpt_ciflexoout dfpt_ciflexowf dfpt_ddmdqout dfpt_ddmdqwf dfpt_dyfro dfpt_dyout dfpt_dyxc1 dfpt_eltfrhar dfpt_eltfrkin dfpt_eltfrloc dfpt_eltfrxc dfpt_etot dfpt_ewald dfpt_ewalddq dfpt_ewalddqdq dfpt_flexo dfpt_gatherdy dfpt_init_mag1 dfpt_isdqfr dfpt_isdqout dfpt_isdqwf dfpt_looppert dfpt_mkcore dfpt_mkffkg dfpt_mkrho dfpt_mkvxc dfpt_mkvxc_noncoll dfpt_mkvxcgga dfpt_mkvxcgga_n0met dfpt_mkvxcggadq dfpt_mkvxcstr dfpt_mkvxcstrgga dfpt_newvtr dfpt_nselt dfpt_nstdy dfpt_nsteltwf dfpt_nstpaw dfpt_nstwf dfpt_phfrq dfpt_prtene dfpt_prtph dfpt_qdrpole dfpt_qdrpout dfpt_qdrpwf.f90 dfpt_rhofermi dfpt_rhotov dfpt_scfcv dfpt_sydy dfpt_sygra dfpt_symph dfpt_v1zeeman dfpt_vlocal dfpt_vlocaldq dfpt_vlocaldqdq dfpt_vmetdqdq dfpt_vtorho dfpt_vtowfk dfpt_wfkfermi dfptff_bec dfptff_die dfptff_ebp dfptff_edie dfptff_gbefd dfptff_gradberry dfptff_initberry dfptnl_doutput dfptnl_exc3 dfptnl_loop dfptnl_pert dft_is_gradient dft_is_hybrid dft_is_meta dft_name dft_xc_energy dfti_alloc_complex_dpc dfti_alloc_complex_spc dfti_alloc_real_dp dfti_c2c_ip_dpc dfti_c2c_ip_spc dfti_c2c_op_dpc dfti_c2c_op_spc dfti_c2r_op_dp dfti_c2r_op_dpc dfti_check_status dfti_fftpad_dp dfti_fftpad_dpc dfti_fftpad_spc dfti_fftrisc_dp dfti_fftrisc_mixprec dfti_fftrisc_sp dfti_fftug_dp dfti_fftug_dpc dfti_fftug_spc dfti_fftur_dp dfti_fftur_dpc dfti_fftur_spc dfti_many_dft_ip dfti_many_dft_op dfti_r2c_op_dp dfti_r2c_op_dpc dfti_seqfourdp dfti_seqfourwf dfti_spawn_threads_here dfti_use_lib_threads dftu_self diag_matlu diag_occ diag_plasma diagonalize_lanczos_banded die dielmt dieltcel diff_matlu diff_oper disable_timelimit dist2 dist9 dist_pbc_ext dist_pbc_int distance_supercell distrb2 distrb2_hf distrib_datar distrib_paral distribfft_type DistributeValenceKernel DistributeValenceWavefunctions dl_Anp dl_p2 dl_q dl_vh dl_vhnzc dlvsum dm_psinv dmft_solve dos_calcnwrite dos_hdr_write dotprod_g dotprod_set_cgcprj dotprod_v dotprod_vn dotprodm_sumdiag_cgcprj dotprodm_v dotprodm_vn dotproduct double_grid_free double_grid_init double_grid_t dpade dplan_many_dft_1D dplan_many_dft_2D dplan_many_dft_c2r dplan_many_dft_r2c driver driver_generate_dielectric_matrix Driver_GeneratePrintDielectricEigenvalues driver_invert_positive_definite_hermitian_matrix drivexc drvaim dsdr_k_paw dshpfunc1 dshpfunc1_ovr_0 dshpfunc1_ovr_0_2 dshpfunc2 dshpfunc2_ovr_0 dshpfunc3 dsksta dtchi dtciflexo dtech9 dtfil_init dtfil_init_img dtfil_init_time dtlattflexo dtmixflexo dtqdrp dtset_copy dtset_free dtset_free_nkpt_arrays dtset_get_crystal dtset_get_ktmesh dtset_get_npert_rbz dtset_initocc_chkneu dtset_testsusmat dummy_tests dummy_tests.F90 dump_Qlist dvdb_check_fform dvdb_close dvdb_find_qpts dvdb_findq dvdb_free dvdb_ftinterp_qpt dvdb_ftinterp_setup dvdb_ftqcache_build dvdb_ftqcache_update_from_ft dvdb_get_ftqbz dvdb_get_maxw dvdb_get_pinfo dvdb_get_v1r_long_range dvdb_get_v1scf_qpt dvdb_get_v1scf_rpt dvdb_interpolate_and_write dvdb_interpolate_v1scf dvdb_list_perts dvdb_load_ddb dvdb_load_efield dvdb_merge_files dvdb_new dvdb_open_read dvdb_print dvdb_qcache_read dvdb_qcache_update_from_file dvdb_qdownsample dvdb_read_onev1 dvdb_readsym_allv1 dvdb_readsym_qbz dvdb_rewind dvdb_seek dvdb_set_pert_distrib dvdb_t dvdb_test_ftinterp dvdb_test_v1complete dvdb_test_v1rsym dvdb_write_v1qavg dvloc_zero_mklocl dvloc_zero_wvl dymfz9 dynmat_dq dyson dzegdi dzgefa

E

e_eigen ebands_apply_scissors ebands_calc_nelect ebands_chop ebands_copy ebands_downsample ebands_enclose_degbands ebands_expandk ebands_free ebands_from_dtset ebands_from_file ebands_from_hdr ebands_get_bandenergy ebands_get_bands_e0 ebands_get_bands_from_erange ebands_get_carriers ebands_get_edos ebands_get_edos_matrix_elements ebands_get_erange ebands_get_gaps ebands_get_jdos ebands_get_minmax ebands_get_muT_with_fd ebands_get_occupied ebands_get_valence_idx ebands_has_metal_scheme ebands_init ebands_interp_kmesh ebands_interp_kpath ebands_interpolate_kpath ebands_move_alloc ebands_ncwrite ebands_ncwrite_path ebands_nelect_per_spin ebands_print ebands_print_gaps ebands_prtbltztrp ebands_prtbltztrp_tau_out ebands_report_gap ebands_set_extrael ebands_set_fermie ebands_set_scheme ebands_sort ebands_t ebands_update_occ ebands_vcbm_range_from_gaps ebands_write ebands_write_bxsf ebands_write_gnuplot ebands_write_nesting ebands_write_xmgrace echo_xc_name edos_free edos_get_carriers edos_ncwrite edos_print edos_t edos_write effective_potential_checkDEV effective_potential_copy effective_potential_file_getDimCoeff effective_potential_file_getDimMD effective_potential_file_getDimStrainCoupling effective_potential_file_getDimSystem effective_potential_file_getType effective_potential_file_mapHistToRef effective_potential_file_readMDfile effective_potential_init effective_potential_initmpi effective_potential_setConfinement effective_potential_setSupercell effective_potential_type effective_potential_writeAbiInput effective_potential_writeNETCDF effective_potential_writeXML effpot_mpi_type effpot_pointer_t efield_type efmas_analysis efmas_main efmas_ncread efmasdeg_free efmasdeg_free_array efmasdeg_type efmasval_free efmasval_free_array efmasval_type eig2stern eig2tot eigen_meandege eigr2d_free eigr2d_init eigr2d_ncwrite eigr2d_t electronpositron_calctype electronpositron_type electrooptic elementfromline eli_app_m_1d eli_diag_m_1d eli_lambda_1d eli_m_iter_1d eli_z_1d eliashberg_1d elpa_func_allocate elpa_func_cholesky_complex elpa_func_cholesky_real elpa_func_deallocate elpa_func_error_handler elpa_func_get_communicators elpa_func_hermitian_multiply_complex elpa_func_hermitian_multiply_real elpa_func_init elpa_func_invert_triangular_complex elpa_func_invert_triangular_real elpa_func_set_matrix elpa_func_solve_evp_1stage_complex elpa_func_solve_evp_1stage_real elpa_func_uninit elph2_fanddw elph_ds_clean elph_k_copy elph_k_destroy elph_k_procs elph_kgrid_type elph_tr_ds_clean elph_tr_type elph_type elphon elpolariz elt_ewald eltxccore em1_symmetrize_ip em1_symmetrize_op em1params_free em1params_t em1results_free em1results_print empty_cache enable_timelimit_in end_lotf end_scalapack end_sortph endswith energies_copy energies_eval_eint energies_init energies_ncwrite energies_to_array energies_type energy energy_type enforce_fortran_io enforce_input_dft enorm entropyDMFT entropyrec ep_el_weights ep_fs_weights ep_ph_weights ep_setupqpt eph eph_double_grid_bz2ibz eph_double_grid_free eph_double_grid_get_index eph_double_grid_get_mapping eph_double_grid_new eph_double_grid_t eph_gkk eph_phgamma eph_phpi ephtk_gam_atm2qnu ephtk_gkknu_from_atm ephtk_mkqtabs ephtk_set_pertables ephtk_set_phmodes_skip ephtk_update_ebands ephwg_double_grid_setup_kpoint ephwg_free ephwg_from_ebands ephwg_get_deltas ephwg_get_deltas_qibzk ephwg_get_deltas_wvals ephwg_get_zinv_weights ephwg_new ephwg_report_stats ephwg_setup_kpoint ephwg_t epjdos_free epjdos_new epjdos_t eprenorms_bcast eprenorms_free eprenorms_from_epnc eprenorms_init eprenorms_t epsilon_k epsilon_k_model epsilonm1_results Epsm1_symmetrizer Epsm1_symmetrizer_inplace equal erlxconv errore esymm_failed esymm_finalize esymm_free_0D esymm_free_2D esymm_init esymm_print esymm_symmetrize_mels esymm_t etheta etotfor eval_force_devs_new_d eval_forces_U_n eval_forces_U_n_2 eval_lotf eval_U_n eval_Upp_n evdw_wannier ewald ewald2 ewald9 exc_amplitude exc_build_block exc_build_ham exc_build_v exc_check_phi_block exc_cholesky_ortho exc_den exc_diago_coupling exc_diago_coupling_hegv exc_diago_driver exc_diago_resonant exc_eps_coupling exc_eps_resonant exc_eps_rpa exc_fullh_from_blocks exc_ham_ncwrite exc_haydock_driver exc_init_phi_block exc_iterative_diago exc_print_eig exc_read_bshdr exc_read_eigen exc_read_rblock_fio exc_read_rcblock exc_skip_bshdr exc_skip_bshdr_mpio exc_subspace_rotation exc_write_bshdr exc_write_data exc_write_optme exc_write_phi_block exc_write_tensor excfiles exchange exchange_electronpositron excparam exit_check exit_init exp_mat_cx expibi extfpmd_type extract_QR extract_QR_Householder extract_SVD extract_SVD_lapack extrapolation_loop extraprho extrapwf extrapwf_biortho exx_is_active

F

fac_matlu factorial fan_free fan_init fan_ncwrite fan_t fappnd fatbands_ncwrite fcart2gred fconv fdjac2 fdtion fermi_dirac fermi_green fermisolverec fexsGamma fform_from_ext fft_allow_ialltoall fft_cc_one_nothreadsafe fft_check_rotrans fft_init_counters fft_output_counters fft_poisson FFT_prof_t fft_stop_counters fft_test_free_0D fft_test_free_1D fft_test_init fft_test_nullify fft_test_print FFT_test_t fft_ug_dp fft_ug_dpc fft_ug_spc fft_ur_dp fft_ur_dpc fft_ur_spc fft_use_lib_threads fftalg_for_npfft fftalg_has_mpi fftalg_info fftalg_isavailable fftbox_execute_ip_dpc fftbox_execute_ip_spc fftbox_execute_op_dpc fftbox_execute_op_spc fftbox_mpi_utests fftbox_plan3 fftbox_plan3_init fftbox_plan3_many fftbox_plan3_t fftbox_utests fftcore_set_mixprec fftdatar_write fftdatar_write_from_hdr FFTHyb fftmpi_u fftpac fftpad_dpc fftpad_one_nothreadsafe fftpad_spc fftprof fftprof.F90 fftprof_free_0D fftprof_free_1D fftprof_init fftprof_ncalls_per_test fftprof_print fftrisc_one_nothreadsafe fftstp fftu_mpi_utests fftu_utests fftw3_accrho fftw3_alloc_complex1d_dpc fftw3_alloc_complex1d_spc fftw3_alloc_real1d_dp fftw3_alloc_real2d_dp fftw3_applypot fftw3_applypot_many fftw3_c2c_ip_dpc fftw3_c2c_ip_spc fftw3_c2c_op_dpc fftw3_c2c_op_spc fftw3_c2r_op fftw3_cleanup fftw3_destroy_plan fftw3_execute_dft_dp fftw3_execute_dft_dpc fftw3_execute_dft_spc fftw3_fftpad_dp fftw3_fftpad_dpc fftw3_fftpad_spc fftw3_fftrisc_dp fftw3_fftrisc_mixprec fftw3_fftrisc_sp fftw3_fftug_dp fftw3_fftug_dpc fftw3_fftug_spc fftw3_fftur_dp fftw3_fftur_dpc fftw3_fftur_spc fftw3_init_threads fftw3_many_dft_ip fftw3_many_dft_op fftw3_mpiback fftw3_mpiback_manywf fftw3_mpiback_wf fftw3_mpiforw fftw3_mpiforw_manywf fftw3_mpiforw_wf fftw3_mpifourdp fftw3_mpifourdp_c2c fftw3_mpifourdp_c2r fftw3_mpifourdp_r2c fftw3_plan3_t fftw3_poisson fftw3_r2c_op fftw3_seqfourdp fftw3_seqfourwf fftw3_set_nthreads fftw3_spawn_threads_here fftw3_use_lib_threads fftw3mpi_many_dft_ip fftw3mpi_many_dft_tr fftwmpi_free_work_array fftwmpi_get_work_array fgg_free_0D fgg_free_1D fgg_init fgg_t file_exists fill fill_cent fill_or_check fillcell finalize finalize find_digit find_ewin find_getdtset find_maxmin_proc find_mpw find_peaks find_qmesh find_rstar_gen find_set_gpu find_symeq find_wpoles_for_cd finddistrproc findmin findminscf findnq findq findqg0 first_rec first_setup firstchar_0d firstchar_1d fit_data_compute fit_data_free fit_data_init fit_data_type fit_polynomial_coeff_computeGF fit_polynomial_coeff_computeMSD fit_polynomial_coeff_fit fit_polynomial_coeff_getCoeffBound fit_polynomial_coeff_getFS fit_polynomial_coeff_getPositive fit_polynomial_coeff_solve fit_polynomial_printSystemFiles fitclus fixsym flib_pwscf flib_pwscf.F90 flush_unit fm12a1 fm12a1t fock2ACE fock_ACE_destroy fock_ACE_getghc fock_calc_ene fock_destroy fock_get_getghc_call fock_getghc fock_init fock_print fock_set_getghc_call fock_set_ieigen fock_type fock_update_exc fock_updatecwaveocc fock_updateikpt fockbz_create fold2Bloch fold2Bloch.F90 force0 force_to_vel forces forstr forstrnps fort_denpot_skip fourdp fourdp_6d fourdp_mpi fourier_fct fourier_green fourier_interpol fourwf fourwf_mpi fp12a1 fp32a1 free_my_atmtab freeze_displ_allmodes freeze_displ_supercell fresid fresidrsp frohlichmodel from_block_cyclic_to_mat from_mat_to_block_cyclic frskerker1__dpf frskerker1__end frskerker1__init frskerker1__newvres frskerker1__pf frskerker2__dpf frskerker2__end frskerker2__init frskerker2__newvres2 frskerker2__pf fstab_findkg0 fstab_free fstab_get_dbldelta_weights fstab_init fstab_print fstab_t ftgam ftgam_init ftgkk ftifc_q2r ftifc_r2q ftoa full_active_wf1 fullbz_plowannier function_and_deriv functionals_pwscf.F90 functionals_pwscf.F90 Fxc_iit fxphas_seq

G

g0g0w g2ifft g_to_r ga_destroy ga_init ga_nullify ga_type gam_mult_displ gamma9 GAMMA_FUNCTION gammapositron gammapositron_fft gaps_free gaps_print gaps_t gather_array_img_1D gather_array_img_2D gather_matlu gather_results_img gather_results_out gaugetransfo gauleg gaunt gaussfit_apply_constrains gaussfit_calc_deriv_c gaussfit_calc_deriv_c2 gaussfit_calc_deriv_c3 gaussfit_calc_deriv_c4 gaussfit_calc_deriv_r gaussfit_chisq_alpha_beta gaussfit_constrains_init gaussfit_fit gaussfit_main gaussfit_mpi_add_item gaussfit_mpi_assign gaussfit_mpi_calc_deviation gaussfit_mpi_main gaussfit_mpi_remove_item gaussfit_mpi_set_weight gaussfit_mpi_swap gaussfit_param2_findsign gaussfit_projector gaussfit_rlsf gaussfit_set_param1 gaussfit_set_param2 gaussfit_set_param3 gaussfit_set_param4 gaussfit_set_param5 gaussian gaussian_expansion_t gaussian_quadrature_gegenbauer gaussian_quadrature_legendre gemm_nonlop gemm_nonlop_type gen_oh generate_degeneracy_table_for_poles generate_frequencies_and_weights generate_training_set GeneratePrintDielectricEigenvalues generateTermsFromList generator_t gensymshub gensymshub4 gensymspgr geo_bcast geo_free geo_from_abivar_string geo_from_abivars_path geo_from_netdf_path geo_from_poscar_path geo_from_poscar_unit geo_malloc geo_print_abivars geo_t geop get_acell_rprim get_all_gkk2 get_all_gkq get_all_gkr get_arg_bool get_arg_dp get_arg_int get_arg_list_dp get_arg_list_int get_arg_str get_atm_proc get_atomorb_charge get_auxc_ixc get_bigbox_and_weights get_BZ_diff get_bz_item get_cache_kb get_chkprdm get_classes get_cprj_id get_cwavefr get_dbl_tetra_weight get_dft_name get_diag_cdp get_diag_int get_diag_rdp get_dims_hist get_dtsets_pspheads get_eneocc_vect get_epsm1 get_exchatom_list get_exchatom_list1 get_exx_fraction get_fastest_devices get_frequencies_and_weights_legendre get_fs_bands get_full_kgrid get_gaps_ get_geometry_img get_gftt get_ibz2bz get_IBZ_item get_icorr get_iexch get_igcc get_igcx get_irredg get_kg get_kpt_from_indices_coarse get_kpt_from_indices_dense get_kpt_fullbz Get_Mem_Dev get_my_atmtab get_my_natom get_ng0sh get_nv_fs_en get_nv_fs_temp get_onetetra_ get_onetetra_blochl get_onetetra_lambinvigneron get_onetetra_ppart_lv get_ontetratra_lambinvigneron_imag get_overlap get_path_cryst get_path_ebands get_path_ebands_cryst get_plowannier get_point_group get_ppm_eigenvalues get_proc_atmtab get_projection_band_indices get_pt0_pt1 get_rank get_S get_seeds get_start_step_num get_start_time get_tau_k get_tetra_weight get_timelimit get_timelimit_string get_topo get_trace_cdp get_trace_int get_trace_rdp get_unit get_unit_from_fname get_varid_hist get_veloc_tr get_xclevel getargs getBm1X getcgqphase getchc getClocC getClocR getCoeffFromList getcprj getcsc getcut getdc1 getdim_nloc getem1_from_ppm getem1_from_ppm_one_ggp getFu getfullg getgh1c getgh1c_setup getgh1dqc getgh1dqc_setup getgh1ndc getgh2c getghc getghc_eigresid getghc_gsc1 getghc_mGGA getghc_nucdip getgsc getkgrid getkgrid_low getkpgnorm getkptnorm_bycomponent getmpw getnel getng getngrec getPBCIndexes_supercell getph getptgroupma getRecordMarkerLength_wffile getshell getspinrot gettag gg1cc gkk_free gkk_init gkk_ncwrite gkk_t glob_loc glue_init glue_lotf glue_pair glue_pair_devs go_angles go_bonds gp1cc gpp1cc gpu_linalg_init gpu_linalg_shutdown gpu_xgemm gpu_xorthonormalize gpu_xtrsm gqk_dbldelta_qpt gqk_free gqk_myqpt gqk_t gr_to_g grad_cart2red gran_potrec graph gred2fcart gred2gdeloc green_atomic_hubbard green_kernel green_type greendftcompute_green GreenHyb GreenHyboffdiag grid_scalapack group_k_t groupk_free groupk_from_file gruns_anaddb gruns_fourq gruns_free gruns_new gruns_qmesh gruns_qpath gruns_t gs_hamiltonian_type gsph_extend gsph_fft_tabs gsph_free gsph_g_idx gsph_gmg_fftidx gsph_gmg_idx gsph_in_fftbox gsph_init gsphere_t gspline_eval gspline_free gspline_new gspline_t gspot_transgrid_and_pack gstate gstateimg gstore_calc_my_phonons gstore_compute gstore_distribute_spins gstore_fill_bks_mask gstore_filter_erange__ gstore_filter_fs_tetra__ gstore_free gstore_from_ncpath gstore_get_a2fw gstore_get_lambda_iso_iw gstore_get_mpw_gmax gstore_malloc__ gstore_new gstore_print gstore_set_mpi_grid__ gstore_spin2my_is gstore_t gtdyn9 gtermcut_t gw_box2gsph gw_spectral_function gwls_sternheimer

H

H_D_distrib ham_targets_free handle_posdata harmonic_thermo harmonics_terms_evaluateElastic harmonics_terms_evaluateIFC harmonics_terms_init harmonics_terms_type hartre hartredq.F90 hartrestr has_BZ_item has_IBZ_item hash_final hash_init hash_update have_timelimit_in haydock_bilanczos haydock_bilanczos_optalgo haydock_herm haydock_herm_algo haydock_mdf_to_tensor haydock_psherm haydock_psherm_optalgo haydock_restart haydock_type hdr_backspace hdr_bcast hdr_bsize_frecords hdr_check hdr_compare hdr_copy hdr_echo hdr_fort_read hdr_fort_write hdr_free hdr_get_crystal hdr_get_nelect_from_occ hdr_get_occ3d hdr_init hdr_init_lowlvl hdr_io_int hdr_io_wfftype hdr_malloc hdr_mpio_skip hdr_ncread hdr_ncwrite hdr_read_from_fname hdr_set_occ hdr_skip_int hdr_skip_wfftype hdr_type hdr_update hdr_vs_dtset hdr_write_to_fname herald herald_multibinit hermit hermitianize_dpc hermitianize_spc hessinit hessupdt hexc_build_hinterp hexc_compute_hinterp hexc_compute_subhinterp hexc_free hexc_init hexc_interp_free hexc_interp_init hexc_interp_matmul hexc_interp_t hexc_matmul_elphon hexc_matmul_full hexc_matmul_tda hexc_t hilbert_transform hilbert_transform_headwings hist2var holocell Hpsik Hpsikc hscr_bcast hscr_copy hscr_free hscr_from_file hscr_io hscr_malloc hscr_merge hscr_mpio_skip hscr_new hscr_print hscr_t htetra_blochl_weights htetra_blochl_weights_wvals_zinv htetra_free htetra_get_delta_mask htetra_get_ibz htetra_get_onewk_wvals htetra_get_onewk_wvals_zinv htetra_init htetra_init_mapping_ibz htetra_print htetra_t htetra_wvals_weights htetra_wvals_weights_delta hu_type hubbard_one hybrid_corr hybridization_asymptotic_coefficient

I

i2s ibte_calc_tensors ibte_driver icf icip_green identity_matlu identity_oper identk idx_loc idx_spatial_inversion ifc_autocutoff ifc_calcnwrite_nana_terms ifc_fourq ifc_free ifc_get_dwdq ifc_get_phmesh ifc_getiaf ifc_init ifc_init_fromFile ifc_mkphbs ifc_outphbtrap ifc_print ifc_printbxsf ifc_speedofsound ifc_type ifc_write ifclo9 ifermi12 ifermi32 ifermi52 ifermim12 ig2gfft ilm2lm im_screening imax_loc_int imax_loc_rdp imin_loc_int imin_loc_rdp importxyz impurity_solve ImpurityOperator imtqlx inarray inc1 incomprs ind_positions_mklocl indefo indefo1 indent indfftrisc indgrid indices_free indices_t indirect_parallel_Fourier indpos_mkcore_alt ingeo ingeo_img_1D ingeo_img_2D ingeobld ini_wf_etsf init10 init_ init_atomorb init_ddiago_ctl init_distribfft init_distribfft_seq init_dmft init_e_field_vars init_electronpositron init_energy init_Er_from_file init_gemm_nonlop init_green init_green_tau init_hamiltonian init_hu init_invovl init_irrep init_lotf init_matlu init_matrix_scalapack Init_MetricRec init_mpi_enreg Init_nlpspRec init_occ_ent init_oper init_operwan_realspace init_peaks_even_dist init_peaks_from_grid init_primcell_ddb_info init_results_gs init_results_gs_array init_results_img init_results_out init_results_respfn init_rf_hamiltonian init_sc_dmft init_sc_dmft_paralkgb init_scalapack init_single_peak init_supercell init_supercell_for_qpt init_tetra init_transitions initaim initang initberry InitGPU initialize initialize initialize_operwan initialize_self initmpi_atom initmpi_band initmpi_grid initmpi_img initmpi_pert initmpi_seq initmpi_world initmv InitRec InitRecGPU InitRecGPU_0 initrhoij initro initVectors initwf initylmg initylmr inkpts inpar inpgkk inprep8 inpspheads inqpt inrange_dp inrange_int inread inreplsp inspln instrng int2char10 int2char4 int2d_array_type int_alloc_work int_array_type int_compute_corresp int_compute_overlaps int_fct int_free_work int_preprocess_tables intagm integrate_gamma integrate_gamma_tr integrate_gamma_tr_lova integrate_green integrho integvol interpol3d_0d interpol3d_1d interpol3d_indices interpolate_denpot interpolate_gkk interpolator_free interpolator_init interpolator_normalize interpolator_t intparms intrpl inupper invacuum invars0 invars1 invars10 invars10scup invars11 invars1m invars2 invars2m invcb inverse_matlu inverse_oper invert_general_matrix invovl_kpt_type inwffil ioarr ioddb8_in iofn1 iomode2str iomode_from_fname ionion_realspace ionion_surface ioniondist ioprof ioprof.F90 ioscr_qmerge ioscr_qrecover ioscr_wmerge ioscr_wremove ipi_check_initial_consistency ipi_pred ipi_setup ipi_shutdown IRadFnH irreducible_set_pert irrep_free_0d irrep_free_1d irrep_t irrzg is_connected is_digit_0D is_integer_0D is_integer_1D is_letter is_open is_open_fname is_zero_rdp_0D is_zero_rdp_1d isalchemical isamek isdiagmat_int isdiagmat_rdp isequalk iseven isfile isncfile iso_solver_free iso_solver_solve iso_solver_t isopress isordered isostress isotemp isymmorphic iter2_alloc iter2_free iter2_lbound iter2_len iter2_print iter2_push iter2_size iter2_t iter2_ubound iter2_yield itoa_1b itoa_4b iwrite_fftdatar

J

jacobi jdos_free jdos_ncwrite jdos_t jellium jlspline_free jlspline_integral jlspline_new jlspline_t jobz_plasma

K

k2gamma_centered k_fermi k_neighbors k_thfermi kbkb_to_kb kdata_free_0D kdata_free_1D kdata_init kdata_t kg2seqblocks kg_map kgindex klinterp_eval_bsd klinterp_free klinterp_new klinterp_t klmn2ijlmn kmesh_free kmesh_init kmesh_print kmesh_t kpath_free kpath_new kpath_print kpath_t kpgcount kpgio kpgsph kpgstr kpoints_binding_auto_k_1 kpoints_binding_auto_k_2 kpoints_binding_mp_k_1 kpoints_binding_mp_k_2 kpoints_get_auto_k_grid kpoints_get_irreductible_zone kpoints_get_mp_k_grid kpt_store_t kptfine_av kptrank_unittests kpts_ibz_from_kptrlatt kpts_map kpts_pack_in_stars kpts_sort kpts_timrev_from_kptopt kramerskronig kramerskronig_self krank_copy krank_free krank_from_kptrlatt krank_get_index krank_get_mapping krank_new krank_print krank_t ks2no ksdiago kss_calc_vkb ktoa kvars_t kxc_ADA kxc_alda kxc_driver kxc_eok kxc_local kxc_pgg kxc_rpa

L

l2int_1D l2int_2D l2int_3D l2norm_rdp laguerre lamb_core lapackprof lapackprof.F90 laplacian largetype_lang_log largetype_lor_log largetype_sum_cplx largetype_sum_dble largetype_sum_dcplx largetype_sum_int largetype_sum_real latom_wan_type lbfgs lbfgs_destroy lbfgs_execute lbfgs_init lcalcu lebedev_free lebedev_laikov_int lebedev_new lebedev_t levi_civita_3 lfind lgroup_find_ibzimage lgroup_findq_ibzk lgroup_free lgroup_new lgroup_print lgroup_t libpaw_basename libpaw_die libpaw_flush libpaw_get_free_unit libpaw_indent libpaw_leave libpaw_libxc_check libpaw_libxc_compute_tb09 libpaw_libxc_constants_load libpaw_libxc_end libpaw_libxc_family_from_id libpaw_libxc_fullname libpaw_libxc_get_hybridparams libpaw_libxc_getid libpaw_libxc_getrefs libpaw_libxc_getvxc libpaw_libxc_gga_from_hybrid libpaw_libxc_has_k3xc libpaw_libxc_has_kxc libpaw_libxc_init libpaw_libxc_is_hybrid libpaw_libxc_is_hybrid_from_id libpaw_libxc_isgga libpaw_libxc_ismgga libpaw_libxc_ixc libpaw_libxc_needs_laplacian libpaw_libxc_nspin libpaw_libxc_set_hybridparams libpaw_lock_and_write libpaw_log_flag_set libpaw_lstrip libpaw_msg_hndl libpaw_netcdf_check libpaw_spmsg_getcount libpaw_spmsg_mpisum libpaw_write_comm_set libpaw_write_lines libpaw_wrtout libpaw_wrtout_myproc libxc_functionals libxc_functionals_check libxc_functionals_compute_tb09 libxc_functionals_constants_load libxc_functionals_end libxc_functionals_family_from_id libxc_functionals_fullname libxc_functionals_get_hybridparams libxc_functionals_getid libxc_functionals_getrefs libxc_functionals_getvxc libxc_functionals_gga_from_hybrid libxc_functionals_has_k3xc libxc_functionals_has_kxc libxc_functionals_init libxc_functionals_is_hybrid libxc_functionals_is_hybrid_from_id libxc_functionals_isgga libxc_functionals_ismgga libxc_functionals_ixc libxc_functionals_needs_laplacian libxc_functionals_nspin libxc_functionals_set_hybridparams linalg_allow_gemm3m linalg_allow_plasma lincom_cgcprj linear_optics_paw linelop linemin linfit_dpc linfit_rdp linfit_spc linmin linopt linspace linvmat list2blocks ListCdagC listkk littlegroup_free_0D littlegroup_free_1D littlegroup_init littlegroup_pert littlegroup_print littlegroup_q littlegroup_t ljust llsfit_svd lm_fit_print_info lmdif lmdif1 lmpar ln_matlu load_k_hamiltonian load_k_rf_hamiltonian load_kprime_hamiltonian load_spin_hamiltonian load_spin_rf_hamiltonian lobpcgwf loc_glob loc_oper local_forces_new local_forces_wvl local_ks_green localfilnam localrdfile localredirect localwrfile locate_sym lock_and_write longwave lorbital2_type lorbital_type lorentzian lotf_extrapolation lotf_interpolation lotfparam_init lotfpath lower lowercase lpad lprtmat lstrip ltoa_dp ltoa_int lubksb ludcmp lwcart lwl_free lwl_init lwl_t lwl_write lxyz.F90

M

m1geo m1geo_destroy m1geo_init m_a2ftr m_a2ftr.F90 m_ab7_kpoints m_ab7_kpoints.F90 m_ab7_mixing m_ab7_mixing.F90 m_ab7_symmetry m_ab7_symmetry.F90 m_abi2big m_abi2big.F90 m_abi_etsf m_abi_etsf.F90 m_abi_gpu_linalg m_abi_linalg m_abi_linalg.F90 m_abicore m_abicore.F90 m_abihist m_abihist.F90 m_abiimages m_abiimages.F90 m_abimover m_abimover.F90 m_abstract_mover m_abstract_mover.F90 m_abstract_potential m_abstract_potential.F90 m_afterscfloop m_afterscfloop.F90 m_alloc_hamilt_gpu m_alloc_hamilt_gpu.F90 m_anharmonics_terms m_anharmonics_terms.F90 m_argparse m_argparse.F90 m_args_gs m_args_gs.F90 m_array m_array.F90 m_atm2fft m_atm2fft.F90 m_atomdata m_atomdata.F90 m_atprj m_atprj.F90 m_bader m_bader.F90 m_band2eps_dataset m_band2eps_dataset.F90 m_bandfft_kpt m_bandfft_kpt.F90 m_barevcoul m_barevcoul.F90 m_BathOperator m_BathOperator.F90 m_BathOperator/ BathOperator_destroy m_BathOperator/BathOperator_activateParticle m_BathOperator/BathOperator_checkM m_BathOperator/BathOperator_doCheck m_BathOperator/BathOperator_getDetAdd m_BathOperator/BathOperator_getDetF m_BathOperator/BathOperator_getDetRemove m_BathOperator/BathOperator_getError m_BathOperator/BathOperator_hybrid m_BathOperator/BathOperator_init m_BathOperator/BathOperator_initF m_BathOperator/BathOperator_printF m_BathOperator/BathOperator_printM m_BathOperator/BathOperator_reset m_BathOperator/BathOperator_setF m_BathOperator/BathOperator_setMAdd m_BathOperator/BathOperator_setMRemove m_BathOperator/BathOperator_swap m_BathOperatoroffdiag m_BathOperatoroffdiag.F90 m_BathOperatoroffdiag/ BathOperatoroffdiag_destroy m_BathOperatoroffdiag/BathOperatoroffdiag_activateParticle m_BathOperatoroffdiag/BathOperatoroffdiag_checkM m_BathOperatoroffdiag/BathOperatoroffdiag_doCheck m_BathOperatoroffdiag/BathOperatoroffdiag_getDetAdd m_BathOperatoroffdiag/BathOperatoroffdiag_getDetF m_BathOperatoroffdiag/BathOperatoroffdiag_getDetRemove m_BathOperatoroffdiag/BathOperatoroffdiag_getError m_BathOperatoroffdiag/BathOperatoroffdiag_init m_BathOperatoroffdiag/BathOperatoroffdiag_initF m_BathOperatoroffdiag/BathOperatoroffdiag_printF m_BathOperatoroffdiag/BathOperatoroffdiag_printM m_BathOperatoroffdiag/BathOperatoroffdiag_printM_matrix m_BathOperatoroffdiag/BathOperatoroffdiag_recomputeM m_BathOperatoroffdiag/BathOperatoroffdiag_reset m_BathOperatoroffdiag/BathOperatoroffdiag_setF m_BathOperatoroffdiag/BathOperatoroffdiag_setMAdd m_BathOperatoroffdiag/BathOperatoroffdiag_setMRemove m_BathOperatoroffdiag/BathOperatoroffdiag_swap m_berryphase m_berryphase.F90 m_berryphase_new m_berryphase_new.F90 m_berrytk m_berrytk.F90 m_bessel m_bessel.F90 m_bethe_salpeter m_bethe_salpeter.F90 m_bfgs m_bfgs.F90 m_bond_lotf.F90 m_bs_defs m_bs_defs.F90 m_bse_io m_bse_io.F90 m_bseinterp m_bseinterp.F90 m_bspline m_bspline.F90 m_build_info m_build_info.F90 m_build_info/dump_config m_builtin_tests m_builtin_tests.F90 m_bz_mesh m_bz_mesh.F90 m_calc_ucrpa m_calc_ucrpa.F90 m_cgcprj m_cgcprj.F90 m_cgprj m_cgprj.F90 m_cgtk m_cgtk.F90 m_cgtools m_cgtools.F90 m_cgwf m_cgwf.F90 m_cgwf_cprj m_cgwf_cprj.F90 m_chebfi m_chebfi.F90 m_chebfi2 m_chebfi2.F90 m_chebfiwf m_chebfiwf.F90 m_chi0 m_chi0.F90 m_chi0tk m_chi0tk.F90 m_chkinp m_chkinp.F90 m_classify_bands m_classify_bands.F90 m_clib m_clib.F90 m_cohsex m_cohsex.F90 m_common m_common.F90 m_compute_anharmonics m_compute_anharmonics.F90 m_conducti m_conducti.F90 m_contistr01.F90 m_contistr03.F90 m_contistr12.F90 m_contract m_contract.F90 m_contstr21.F90 m_contstr23.F90 m_contstr25.F90 m_contstr25a.F90 m_contstr26.F90 m_copy m_copy.F90 m_cplxtools m_cplxtools.F90 m_cppopts_dumper m_cppopts_dumper.F90 m_cppopts_dumper/dump_cpp_options m_crystal m_crystal.F90 m_Ctqmc m_Ctqmc.F90 m_Ctqmc/Ctqmc_allocateAll m_Ctqmc/Ctqmc_allocateOpt m_Ctqmc/Ctqmc_clear m_Ctqmc/Ctqmc_computeF m_Ctqmc/Ctqmc_destroy m_Ctqmc/Ctqmc_getD m_Ctqmc/Ctqmc_getE m_Ctqmc/Ctqmc_getGreen m_Ctqmc/Ctqmc_getResult m_Ctqmc/Ctqmc_init m_Ctqmc/Ctqmc_loop m_Ctqmc/Ctqmc_measCorrelation m_Ctqmc/Ctqmc_measN m_Ctqmc/Ctqmc_measPerturbation m_Ctqmc/Ctqmc_printAll m_Ctqmc/Ctqmc_printCorrelation m_Ctqmc/Ctqmc_printD m_Ctqmc/Ctqmc_printE m_Ctqmc/Ctqmc_printGreen m_Ctqmc/Ctqmc_printPerturbation m_Ctqmc/Ctqmc_printQMC m_Ctqmc/Ctqmc_printSpectra m_Ctqmc/Ctqmc_reset m_Ctqmc/Ctqmc_run m_Ctqmc/Ctqmc_setG0wTab m_Ctqmc/Ctqmc_setMu m_Ctqmc/Ctqmc_setParameters m_Ctqmc/Ctqmc_setSeed m_Ctqmc/Ctqmc_setSweeps m_Ctqmc/Ctqmc_setU m_Ctqmc/Ctqmc_symmetrizeGreen m_Ctqmc/Ctqmc_tryAddRemove m_Ctqmc/Ctqmc_trySwap m_CtqmcInterface m_CtqmcInterface.F90 m_CtqmcInterface/CtqmcInterface_finalize m_CtqmcInterface/CtqmcInterface_init m_CtqmcInterface/CtqmcInterface_run m_CtqmcInterface/CtqmcInterface_setOpts m_CtqmcInterface/CtqmcInterface_setSweeps m_Ctqmcoffdiag m_Ctqmcoffdiag.F90 m_Ctqmcoffdiag/Ctqmcoffdiag_allocateAll m_Ctqmcoffdiag/Ctqmcoffdiag_allocateOpt m_Ctqmcoffdiag/Ctqmcoffdiag_clear m_Ctqmcoffdiag/Ctqmcoffdiag_computeF m_Ctqmcoffdiag/Ctqmcoffdiag_destroy m_Ctqmcoffdiag/Ctqmcoffdiag_getD m_Ctqmcoffdiag/Ctqmcoffdiag_getE m_Ctqmcoffdiag/Ctqmcoffdiag_getGreen m_Ctqmcoffdiag/Ctqmcoffdiag_getResult m_Ctqmcoffdiag/Ctqmcoffdiag_init m_Ctqmcoffdiag/Ctqmcoffdiag_loop m_Ctqmcoffdiag/Ctqmcoffdiag_measCorrelation m_Ctqmcoffdiag/Ctqmcoffdiag_measN m_Ctqmcoffdiag/Ctqmcoffdiag_measPerturbation m_Ctqmcoffdiag/Ctqmcoffdiag_printAll m_Ctqmcoffdiag/Ctqmcoffdiag_printCorrelation m_Ctqmcoffdiag/Ctqmcoffdiag_printD m_Ctqmcoffdiag/Ctqmcoffdiag_printE m_Ctqmcoffdiag/Ctqmcoffdiag_printGreen m_Ctqmcoffdiag/Ctqmcoffdiag_printPerturbation m_Ctqmcoffdiag/Ctqmcoffdiag_printQMC m_Ctqmcoffdiag/Ctqmcoffdiag_printSpectra m_Ctqmcoffdiag/Ctqmcoffdiag_reset m_Ctqmcoffdiag/Ctqmcoffdiag_run m_Ctqmcoffdiag/Ctqmcoffdiag_setG0wTab m_Ctqmcoffdiag/Ctqmcoffdiag_sethybri_limit m_Ctqmcoffdiag/Ctqmcoffdiag_setMu m_Ctqmcoffdiag/Ctqmcoffdiag_setParameters m_Ctqmcoffdiag/Ctqmcoffdiag_setSeed m_Ctqmcoffdiag/Ctqmcoffdiag_setSweeps m_Ctqmcoffdiag/Ctqmcoffdiag_setU m_Ctqmcoffdiag/Ctqmcoffdiag_symmetrizeGreen m_Ctqmcoffdiag/Ctqmcoffdiag_tryAddRemove m_Ctqmcoffdiag/Ctqmcoffdiag_trySwap m_CtqmcoffdiagInterface m_CtqmcoffdiagInterface.F90 m_CtqmcoffdiagInterface/CtqmcoffdiagInterface_finalize m_CtqmcoffdiagInterface/CtqmcoffdiagInterface_init m_CtqmcoffdiagInterface/CtqmcoffdiagInterface_run m_CtqmcoffdiagInterface/CtqmcoffdiagInterface_setOpts m_CtqmcoffdiagInterface/CtqmcoffdiagInterface_setSweeps m_cut3d m_cut3d.F90 m_cutoff_cylinder.F90 m_cutoff_slab.F90 m_cutoff_sphere.F90 m_d2frnl m_d2frnl.F90 m_data4entropyDMFT m_data4entropyDMFT.F90 m_data4entropyDMFT/data4entropyDMFT_init m_data4entropyDMFT/data4entropyDMFT_setDc m_data4entropyDMFT/data4entropyDMFT_setDocc m_data4entropyDMFT/data4entropyDMFT_setHu m_data4entropyDMFT/data4etotdmf_destroy m_datafordmft m_datafordmft.F90 m_ddb m_ddb.F90 m_ddb_diel m_ddb_diel.F90 m_ddb_elast m_ddb_elast.F90 m_ddb_flexo m_ddb_flexo.F90 m_ddb_flexo/ddb_flexo m_ddb_hdr m_ddb_hdr.F90 m_ddb_internalstr m_ddb_internalstr.F90 m_ddb_interpolate m_ddb_interpolate.F90 m_ddb_piezo m_ddb_piezo.F90 m_ddk m_ddk.F90 m_defs_ptgroups m_defs_ptgroups.F90 m_dens m_dens.F90 m_dfpt_cgwf m_dfpt_cgwf.F90 m_dfpt_elt m_dfpt_elt.F90 m_dfpt_fef m_dfpt_fef.F90 m_dfpt_loopert m_dfpt_looppert.F90 m_dfpt_lw m_dfpt_lw.F90 m_dfpt_lwwf m_dfpt_lwwf.F90 m_dfpt_mkrho m_dfpt_mkrho.F90 m_dfpt_mkvxc m_dfpt_mkvxc.F90 m_dfpt_mkvxcstr m_dfpt_mkvxcstr.F90 m_dfpt_nstwf m_dfpt_nstwf.F90 m_dfpt_rhotov m_dfpt_rhotov.F90 m_dfpt_scfcv m_dfpt_scfcv.F90 m_dfpt_vtorho m_dfpt_vtorho.F90 m_dfpt_vtowfk m_dfpt_vtowfk.F90 m_dfptnl_loop m_dfptnl_loop.F90 m_dfptnl_pert m_dfptnl_pert.F90 m_dft_energy m_dft_energy.F90 m_dfti m_dfti.F90 m_dftu_self m_dftu_self.F90 m_distribfft m_distribfft.F90 m_dmft m_dmft.F90 m_double_grid m_double_grid.F90 m_driver m_driver.F90 m_drivexc m_drivexc.F90 m_dtfil m_dtfil.F90 m_dtset m_dtset.F90 m_dummy.F90 m_dummy_tests m_dvdb m_dvdb.F90 m_dynarray m_dynarray.F90 m_dynmat m_dynmat.F90 m_dyson_solver m_dyson_solver.F90 m_ebands m_ebands.F90 m_effective_potential m_effective_potential.F90 m_effective_potential_file m_effective_potential_file.F90 m_effpot_mpi m_effpot_mpi.F90 m_efield m_efield.F90 m_efmas m_efmas.F90 m_efmas_defs m_efmas_defs.F90 m_eig2d m_eig2d.F90 m_electronpositron m_electronpositron.F90 m_eliashberg_1d m_eliashberg_1d.F90 m_elpa m_elpa.F90 m_elphon m_elphon.F90 m_elpolariz m_elpolariz.F90 m_energies m_energies.F90 m_energy m_energy.F90 m_entropyDMFT m_entropyDMFT.F90 m_entropyDMFT/entropyDMFT_addIntegrand m_entropyDMFT/entropyDMFT_allocateAll m_entropyDMFT/entropyDMFT_computeEntropy m_entropyDMFT/entropyDMFT_destroy m_entropyDMFT/entropyDMFT_dump m_entropyDMFT/entropyDMFT_init m_entropyDMFT/entropyDMFT_integrate m_entropyDMFT/entropyDMFT_nextLambda m_entropyDMFT/entropyDMFT_restart m_eph_double_grid m_eph_double_grid.F90 m_eph_driver m_eph_driver.F90 m_ephtk m_ephtk.F90 m_ephwg m_ephwg.F90 m_epjdos m_epjdos.F90 m_eprenorms m_eprenorms.F90 m_epweights m_epweights.F90 m_errors m_errors.F90 m_esymm m_esymm.F90 m_eval_lotf.F90 m_evdw_wannier m_evdw_wannier.F90 m_ewald m_ewald.F90 m_exc_analyze m_exc_analyze m_exc_analyze.F90 m_exc_build m_exc_build.F90 m_exc_diago m_exc_diago.F90 m_exc_itdiago m_exc_itdiago.F90 m_exc_spectra m_exc_spectra.F90 m_exit m_exit.F90 m_exp_mat m_exp_mat.F90 m_extfpmd m_extfpmd.F90 m_extfpmd/compute_e_kinetic m_extfpmd/compute_entropy m_extfpmd/compute_nelect m_extfpmd/compute_shiftfactor m_extfpmd/destroy m_extfpmd/dip12 m_extfpmd/dip32 m_extfpmd/djp12 m_extfpmd/djp32 m_extfpmd/extfpmd_dos m_extfpmd/extfpmd_e_fg m_extfpmd/init m_extraprho m_extraprho.F90 m_fft m_fft.F90 m_fft_mesh m_fft_mesh.F90 m_FFT_prof m_fft_prof.F90 m_fftcore m_fftcore.F90 m_FFTHyb m_FFTHyb.F90 m_FFTHyb/FFTHyb_destroy m_FFTHyb/FFTHyb_getData m_FFTHyb/FFTHyb_init m_FFTHyb/FFTHyb_mirror m_FFTHyb/FFTHyb_run m_FFTHyb/FFTHyb_setData m_fftw3 m_fftw3.F90 m_fit_data m_fit_data.F90 m_fit_polynomial_coeff m_fit_polynomial_coeff.F90 m_fock m_fock.F90 m_fock_getghc m_fock_getghc.F90 m_fold2block m_fold2block.F90 m_forces m_forces.F90 m_forctqmc m_forctqmc.F90 m_forstr m_forstr.F90 m_fourier_interpol m_fourier_interpol.F90 m_frohlichmodel m_frohlichmodel.F90 m_frskerker1 m_frskerker1.F90 m_frskerker2 m_frskerker2.F90 m_fstab m_fstab.F90 m_fstrings m_fstrings.F90 m_ga m_ga.F90 m_gammapositron m_gammapositron.F90 m_gaussian_quadrature m_gaussian_quadrature.F90 m_gemm_nonlop m_gemm_nonlop.F90 m_generate_training_set m_generate_training_set.F90 m_geometry m_geometry.F90 m_getchc m_getchc.F90 m_getgh1c m_getgh1c.F90 m_getgh2c m_getgh2c.F90 m_getghc m_getghc.F90 m_getshell m_getshell.F90 m_gkk m_gkk.F90 m_global m_global.F90 m_global/ERROR m_global/WARN m_global/WARNALL m_glue_lotf.F90 m_gpu_detect m_gpu_detect.F90 m_gpu_toolbox m_gpu_toolbox.F90 m_green m_green.F90 m_GreenHyb m_GreenHyb.F90 m_GreenHyb/GreenHyb_backFourier m_GreenHyb/GreenHyb_clear m_GreenHyb/GreenHyb_destroy m_GreenHyb/GreenHyb_forFourier m_GreenHyb/GreenHyb_getHybrid m_GreenHyb/GreenHyb_init m_GreenHyb/GreenHyb_measHybrid m_GreenHyb/GreenHyb_print m_GreenHyb/GreenHyb_reset m_GreenHyb/GreenHyb_setMoments m_GreenHyb/GreenHyb_setMuD1 m_GreenHyb/GreenHyb_setN m_GreenHyb/GreenHyb_setOperW m_GreenHyboffdiag m_GreenHyboffdiag.F90 m_GreenHyboffdiag/GreenHyboffdiag_backFourier m_GreenHyboffdiag/GreenHyboffdiag_clear m_GreenHyboffdiag/GreenHyboffdiag_destroy m_GreenHyboffdiag/GreenHyboffdiag_forFourier m_GreenHyboffdiag/GreenHyboffdiag_getHybrid m_GreenHyboffdiag/GreenHyboffdiag_init m_GreenHyboffdiag/GreenHyboffdiag_measHybrid m_GreenHyboffdiag/GreenHyboffdiag_print m_GreenHyboffdiag/GreenHyboffdiag_reset m_GreenHyboffdiag/GreenHyboffdiag_setMoments m_GreenHyboffdiag/GreenHyboffdiag_setMuD1 m_GreenHyboffdiag/GreenHyboffdiag_setN m_GreenHyboffdiag/GreenHyboffdiag_setOperW m_gruneisen m_gruneisen.F90 m_gsphere m_gsphere.F90 m_gstate m_gstate.F90 m_gstateimg m_gstateimg.F90 m_gstore m_gstore.F90 m_gtermcutoff.F90 m_gwdefs m_gwdefs.F90 m_gwls_ComputeCorrelationEnergy m_gwls_ComputeCorrelationEnergy.F90 m_gwls_ComputePoles m_gwls_ComputePoles.F90 m_gwls_DielectricArray m_gwls_DielectricArray.F90 m_gwls_GenerateEpsilon m_gwls_GenerateEpsilon.F90 m_gwls_GWanalyticPart m_gwls_GWanalyticPart.F90 m_gwls_GWlanczos m_gwls_GWlanczos.F90 m_gwls_hamiltonian m_gwls_hamiltonian.F90 m_gwls_LanczosBasis m_gwls_LanczosBasis.F90 m_gwls_LanczosResolvents m_gwls_LanczosResolvents.F90 m_gwls_lineqsolver m_gwls_lineqsolver.F90 m_gwls_model_polarisability m_gwls_model_polarisability.F90 m_gwls_polarisability m_gwls_polarisability.F90 m_gwls_Projected_AT m_gwls_Projected_AT.F90 m_gwls_Projected_BT m_gwls_Projected_BT.F90 m_gwls_QR_factorization m_gwls_QR_factorization.F90 m_gwls_sternheimer m_gwls_sternheimer.F90 m_gwls_TimingLog m_gwls_TimingLog.F90 m_gwls_utility m_gwls_utility.F90 m_gwls_valenceWavefunctions m_gwls_valenceWavefunctions.F90 m_gwls_wf m_gwls_wf.F90 m_gwrdm m_gwrdm.F90 m_hamiltonian m_hamiltonian.F90 m_harmonic_thermo m_harmonic_thermo.F90 m_harmonics_terms m_harmonics_terms.F90 m_hash_md5 m_hash_md5.F90 m_hashtable m_hashtable.F90 m_hashtable_strval.F90 m_hastable m_haydock m_haydock.F90 m_haydock_io m_haydock_io.F90 m_hdr m_hdr.F90 m_hexc m_hexc.F90 m_hide_blas m_hide_blas.F90 m_hide_lapack m_hide_lapack.F90 m_hidecudarec m_hidecudarec.F90 m_hmc m_hmc.F90 m_hmc/compute_kinetic_energy m_hmc/generate_random_velocities m_hmc/metropolis_check m_htetra m_htetra.F90 m_hu m_hu.F90 m_hubbard_one m_hubbard_one.F90 m_ifc m_ifc.F90 m_ImpurityOperator m_ImpurityOperator.F90 m_ImpurityOperator/ImpurityOperator_activateParticle m_ImpurityOperator/ImpurityOperator_add m_ImpurityOperator/ImpurityOperator_checkOverlap m_ImpurityOperator/ImpurityOperator_cleanOverlaps m_ImpurityOperator/ImpurityOperator_computeU m_ImpurityOperator/ImpurityOperator_destroy m_ImpurityOperator/ImpurityOperator_doCheck m_ImpurityOperator/ImpurityOperator_getAvailableTime m_ImpurityOperator/ImpurityOperator_getAvailedTime m_ImpurityOperator/ImpurityOperator_getError m_ImpurityOperator/ImpurityOperator_getErrorOverlap m_ImpurityOperator/ImpurityOperator_getNewOverlap m_ImpurityOperator/ImpurityOperator_getSegment m_ImpurityOperator/ImpurityOperator_getsign m_ImpurityOperator/ImpurityOperator_getTraceAdd m_ImpurityOperator/ImpurityOperator_getTraceRemove m_ImpurityOperator/ImpurityOperator_init m_ImpurityOperator/ImpurityOperator_measDE m_ImpurityOperator/ImpurityOperator_measN m_ImpurityOperator/ImpurityOperator_occup_histo_time m_ImpurityOperator/ImpurityOperator_overlapFlavor m_ImpurityOperator/ImpurityOperator_overlapIJ m_ImpurityOperator/ImpurityOperator_overlapSegFlav m_ImpurityOperator/ImpurityOperator_overlapSwap m_ImpurityOperator/ImpurityOperator_printLatex m_ImpurityOperator/ImpurityOperator_remove m_ImpurityOperator/ImpurityOperator_reset m_ImpurityOperator/ImpurityOperator_setMu m_ImpurityOperator/ImpurityOperator_setUmat m_ImpurityOperator/ImpurityOperator_swap m_ingeo m_ingeo.F90 m_init10 m_init10.F90 m_initcuda m_initcuda.F90 m_initylmg m_initylmg.F90 m_inkpts m_inkpts.F90 m_integrals m_integrals.F90 m_invars1 m_invars1.F90 m_invars2 m_invars2.F90 m_invovl m_invovl.F90 m_inwffil m_inwffil.F90 m_io_kss m_io_kss.F90 m_io_redirect m_io_redirect.F90 m_io_screening m_io_screening.F90 m_io_tools m_io_tools.F90 m_ioarr m_ioarr.F90 m_iogkk m_iogkk.F90 m_iowf m_iowf.F90 m_ipi m_ipi.F90 m_iterators m_iterators.F90 m_jellium m_jellium.F90 m_kg m_kg.F90 m_kpts m_kpts.F90 m_krank m_krank.F90 m_ksdiago m_ksdiago.F90 m_kxc m_kxc.F90 m_lattice_berendsen_NPT_mover m_lattice_berendsen_NPT_mover.F90 m_lattice_berendsen_NVT_mover m_lattice_berendsen_NVT_mover.F90 m_lattice_dummy_mover m_lattice_dummy_mover.F90 m_lattice_effpot m_lattice_effpot.F90 m_lattice_harmonic_potential m_lattice_harmonic_potential.F90 m_lattice_harmonic_primitive_potential m_lattice_io_netcdf.F90 m_lattice_langevin_mover m_lattice_langevin_mover.F90 m_lattice_lwf_map m_lattice_lwf_map.F90 m_lattice_lwf_mover m_lattice_lwf_mover.F90 m_lattice_mover m_lattice_mover.F90 m_lattice_ncfile m_lattice_ncfile.F90 m_lattice_verlet_mover m_lattice_verlet_mover.F90 m_lbfgs m_lbfgs.F90 m_lebedev m_lebedev.F90 m_levenberg_marquardt m_levenberg_marquardt.F90 m_lgroup m_lgroup.F90 m_lib_four.F90 m_libpaw_defs m_libpaw_defs.F90 m_libpaw_libxc m_libpaw_libxc.F90 m_libpaw_libxc_funcs m_libpaw_mpi m_libpaw_mpi.F90 m_libpaw_tools m_libpaw_tools.F90 m_libxc_functionals.F90 m_linalg_interfaces m_linalg_interfaces.F90 m_linked_list m_linked_list.F90 m_ListCdagC m_ListCdagC.F90 m_ListCdagC/listCdagC_assign m_ListCdagC/ListCdagC_clear m_ListCdagC/ListCdagC_destroy m_ListCdagC/ListCdagC_enlarge m_ListCdagC/ListCdagC_erase m_ListCdagC/ListCdagC_firstHigherThanReal m_ListCdagC/ListCdagC_init m_ListCdagC/ListCdagC_insert m_ListCdagC/ListCdagC_popBack m_ListCdagC/ListCdagC_print m_ListCdagC/ListCdagC_pushBack m_ListCdagC/ListCdagC_quickSort m_ListCdagC/ListCdagC_setSize m_ListCdagC/ListCdagC_sort m_ListCdagC/ListCdagC_swap m_lobpcg m_lobpcg.F90 m_lobpcgwf m_lobpcgwf.F90 m_lobpcgwf_old m_lobpcgwf_old.F90 m_longwave m_longwave.F90 m_lotf.F90 m_lwf_berendsen_mover m_lwf_berendsen_mover.F90 m_lwf_dummy_mover m_lwf_dummy_mover.F90 m_lwf_hist m_lwf_hist.F90 m_lwf_mc_mover m_lwf_mc_mover.F90 m_lwf_ncfile m_lwf_ncfile.F90 m_lwf_observables m_lwf_observables.F90 m_lwf_potential m_lwf_potential.F90 m_m1geo m_m1geo.F90 m_macroave m_macroave.F90 m_manage_cuda m_manage_cuda.F90 m_MapHyb m_MapHyb.F90 m_MapHyb/MapHyb_assign m_MapHyb/MapHyb_clear m_MapHyb/MapHyb_destroy m_MapHyb/MapHyb_enlarge m_MapHyb/MapHyb_init m_MapHyb/MapHyb_print m_MapHyb/MapHyb_quickSort m_MapHyb/MapHyb_setSize m_MapHyb/MapHyb_sort m_matlu m_matlu.F90 m_matrix m_matrix.F90 m_MatrixHyb m_MatrixHyb.F90 m_MatrixHyb/MatrixHyb_assign m_MatrixHyb/MatrixHyb_clear m_MatrixHyb/MatrixHyb_destroy m_MatrixHyb/MatrixHyb_enlarge m_MatrixHyb/MatrixHyb_getDet m_MatrixHyb/MatrixHyb_init m_MatrixHyb/MatrixHyb_inverse m_MatrixHyb/MatrixHyb_LU m_MatrixHyb/MatrixHyb_print m_MatrixHyb/MatrixHyb_setSize m_melemts m_melemts.F90 m_memeval m_memeval.F90 m_mep m_mep.F90 m_mergesort m_mergesort.F90 m_metstr m_metstr.F90 m_migdal_eliashberg m_migdal_eliashberg.F90 m_mkcore m_mkcore.F90 m_mkcore_wvl m_mkffkg m_mkffkg.F90 m_mkffnl m_mkffnl.F90 m_mklocl m_mklocl.F90 m_mklocl_realspace m_mklocl_realspace.F90 m_mkrho m_mkrho.F90 m_mlwfovlp m_mlwfovlp.F90 m_mlwfovlp_qp m_mlwfovlp_qp.F90 m_model_screening m_model_screening.F90 m_mover m_mover.F90 m_mover_effpot m_mover_effpot.F90 m_mpi_scheduler m_mpi_scheduler.F90 m_mpi_setup m_mpi_setup.F90 m_mpinfo m_mpinfo.F90 m_mpiotk m_mpiotk.F90 m_multibinit_cell m_multibinit_cell.F90 m_multibinit_dataset m_multibinit_dataset.F90 m_multibinit_driver.F90 m_multibinit_io_xml m_multibinit_io_xml.F90 m_multibinit_main m_multibinit_main.F90 m_multibinit_main2 m_multibinit_manager m_multibinit_manager.F90 m_multibinit_unittest m_multibinit_unittest.F90 m_multipoles m_multipoles.F90 m_nctk m_nctk.F90 m_nesting m_nesting.F90 m_newrho m_newrho.F90 m_newvtr m_newvtr.F90 m_nonlinear m_nonlinear.F90 m_nonlop m_nonlop.F90 m_nonlop_pl m_nonlop_pl.F90 m_nonlop_test m_nonlop_test.F90 m_nonlop_ylm m_nonlop_ylm.F90 m_nucprop m_nucprop.F90 m_numeric_tools m_numeric_tools.F90 m_nvtx m_nvtx.F90 m_nvtx_data m_nvtx_data.F90 m_observables m_observables.F90 m_occ m_occ.F90 m_octree m_octree.F90 m_odamix m_odamix.F90 m_oper m_oper.F90 m_opernl m_opernl.F90 m_opernla_ylm m_opernla_ylm.F90 m_opernla_ylm_mv m_opernla_ylm_mv.F90 m_opernlb_ylm m_opernlb_ylm.F90 m_opernlb_ylm_mv m_opernlb_ylm_mv.F90 m_opernlc_ylm m_opernlc_ylm.F90 m_opernld_ylm m_opernld_ylm.F90 m_opt_effpot m_opt_effpot.F90 m_optic_tools m_optic_tools.F90 m_optics_vloc m_optics_vloc.F90 m_optim_dumper m_optim_dumper.F90 m_optim_dumper/dump_optim m_orbmag.F90 m_oscillators.F90 m_OurRng m_OurRng.F90 m_OurRng/OurRng m_out_acknowl m_out_acknowl.F90 m_outqmc m_outqmc.F90 m_outscfcv m_outscfcv.F90 m_outvar_a_h m_outvar_a_h.F90 m_outvar_i_n m_outvar_i_n.F90 m_outvar_o_z m_outvar_o_z.F90 m_outvars m_outvars.F90 m_outwant m_outwant.F90 m_outxml m_outxml.F90 m_pair_list m_pair_list.F90 m_paral_atom m_paral_atom.F90 m_paral_pert m_paral_pert.F90 m_parser m_parser.F90 m_paw2wvl m_paw2wvl.F90 m_paw_an m_paw_an.F90 m_paw_atom m_paw_atom.F90 m_paw_atomorb m_paw_atomorb.F90 m_paw_correlations m_paw_correlations.F90 m_paw_denpot m_paw_denpot.F90 m_paw_dfpt m_paw_dfpt.F90 m_paw_dfptnl m_paw_dfptnl.F90 m_paw_dmft m_paw_dmft.F90 m_paw_efield m_paw_efield.F90 m_paw_finegrid m_paw_finegrid.F90 m_paw_gaussfit m_paw_gaussfit.F90 m_paw_hr m_paw_hr.F90 m_paw_ij m_paw_ij.F90 m_paw_init m_paw_init.F90 m_paw_io m_paw_io.F90 m_paw_lmn m_paw_lmn.F90 m_paw_mkaewf m_paw_mkaewf.F90 m_paw_mkrho m_paw_mkrho.F90 m_paw_nhat m_paw_nhat.F90 m_paw_nmr m_paw_nmr.F90 m_paw_numeric m_paw_numeric.F90 m_paw_occupancies m_paw_occupancies.F90 m_paw_onsite m_paw_onsite.F90 m_paw_optics m_paw_optics.F90 m_paw_overlap m_paw_overlap.F90 m_paw_pwaves_lmn m_paw_pwaves_lmn.F90 m_paw_slater m_paw_slater.F90 m_paw_sphharm m_paw_sphharm.F90 m_paw_sym m_paw_sym.F90 m_paw_tools m_paw_tools.F90 m_paw_uj m_paw_uj.F90 m_pawang m_pawang.F90 m_pawcprj m_pawcprj.F90 m_pawdij m_pawdij.F90 m_pawfgr m_pawfgr.F90 m_pawfgrtab m_pawfgrtab.F90 m_pawpsp m_pawpsp.F90 m_pawpwij m_pawpwij.F90 m_pawrad m_pawrad.F90 m_pawrhoij m_pawrhoij.F90 m_pawtab m_pawtab.F90 m_pawxc m_pawxc.F90 m_pawxmlps m_pawxmlps.F90 m_pbc_lotf.F90 m_pead_nl_loop m_pead_nl_loop.F90 m_per_cond m_per_cond.F90 m_phgamma m_phgamma.F90 m_phonons m_phonons.F90 m_phpi m_phpi.F90 m_pimd m_pimd.F90 m_pimd_langevin m_pimd_langevin.F90 m_pimd_nosehoover m_pimd_nosehoover.F90 m_plowannier m_plowannier.F90 m_polynomial m_polynomial.F90 m_polynomial_coeff.F90 m_polynomial_conf m_polynomial_conf.F90 m_polynomial_potential m_polynomial_potential.F90 m_polynomial_term m_polynomial_term.F90 m_positron m_positron.F90 m_potential_list m_potential_list.F90 m_ppmodel m_ppmodel.F90 m_pptools m_pptools.F90 m_prcref m_prcref.F90 m_precpred_1geo m_precpred_1geo.F90 m_pred_bfgs m_pred_bfgs.F90 m_pred_delocint m_pred_delocint.F90 m_pred_diisrelax m_pred_diisrelax.F90 m_pred_fire m_pred_fire.F90 m_pred_hmc m_pred_hmc.F90 m_pred_isokinetic m_pred_isokinetic.F90 m_pred_isothermal m_pred_isothermal.F90 m_pred_langevin m_pred_langevin.F90 m_pred_lotf m_pred_lotf.F90 m_pred_lotf/pred_lotf m_pred_moldyn m_pred_moldyn.F90 m_pred_nose m_pred_nose.F90 m_pred_simple m_pred_simple.F90 m_pred_srkhna14 m_pred_srkna14.F90 m_pred_steepdesc m_pred_steepdesc.F90 m_pred_velverlet m_pred_velverlet.F90 m_pred_verlet m_pred_verlet.F90 m_predict_neb m_predict_neb.F90 m_predict_pimd m_predict_pimd.F90 m_predict_steepest m_predict_steepest.F90 m_predict_string m_predict_string.F90 m_predtk m_predtk.F90 m_prep_calc_ucrpa m_prep_calc_ucrpa.F90 m_prep_kgb m_prep_kgb.F90 m_pretty_rec m_pretty_rec.F90 m_primcell_ddb_info m_primcell_ddb_info.F90 m_primitive_bilinear_potential m_primitive_bilinear_potential.F90 m_primitive_potential m_primitive_potential.F90 m_primitive_potential_list m_primitive_potential_list.F90 m_profiling_abi m_profiling_abi.F90 m_pseudo_pwscf m_pseudo_pwscf.F90 m_psolver m_psolver.F90 m_psp1 m_psp1.F90 m_psp5 m_psp5.F90 m_psp6 m_psp6.F90 m_psp8 m_psp8.F90 m_psp9 m_psp9.F90 m_psp_hgh m_psp_hgh.F90 m_pspheads m_pspheads.F90 m_pspini m_pspini.F90 m_psps m_psps.F90 m_psptk m_psptk.F90 m_psxml2ab m_psxml2ab.F90 m_ptg_C1.F90 m_ptg_C2.F90 m_ptg_C2h.F90 m_ptg_C2v.F90 m_ptg_C3.F90 m_ptg_C3h.F90 m_ptg_C3i.F90 m_ptg_C3v.F90 m_ptg_C4.F90 m_ptg_C4h.F90 m_ptg_C4v.F90 m_ptg_C6.F90 m_ptg_C6h.F90 m_ptg_C6v.F90 m_ptg_Ci.F90 m_ptg_Cs.F90 m_ptg_D2.F90 m_ptg_D2d.F90 m_ptg_D2h.F90 m_ptg_D3.F90 m_ptg_D3d.F90 m_ptg_D3h.F90 m_ptg_D4.F90 m_ptg_D4h.F90 m_ptg_D6.F90 m_ptg_D6h.F90 m_ptg_O.F90 m_ptg_Oh.F90 m_ptg_S4.F90 m_ptg_T.F90 m_ptg_Td.F90 m_ptg_Th.F90 m_ptgroups m_ptgroups.F90 m_qparticles m_qparticles.F90 m_qplusg m_qplusg.F90 m_raman m_raman.F90 m_random_zbq m_random_zbq.F90 m_rayleigh_ritz m_rayleigh_ritz.F90 m_read_plowannier m_read_plowannier.F90 m_rec m_rec.F90 m_rec_tools m_rec_tools.F90 m_relaxpol m_relaxpol.F90 m_respfn_driver m_respfn_driver.F90 m_results_gs m_results_gs.F90 m_results_img m_results_img.F90 m_results_out m_results_out.F90 m_results_respfn.F90 m_results_results m_rf2 m_rf2.F90 m_rf2_init m_rf2_init.F90 m_rhotov m_rhotov.F90 m_rhotoxc m_rhotoxc.F90 m_rmm_diis m_rmm_diis.F90 m_rot_cg m_rot_cg.F90 m_rta m_rta.F90 m_rttddft m_rttddft.F90 m_rttddft_driver m_rttddft_driver.F90 m_rttddft_exponential m_rttddft_exponential.F90 m_rttddft_output m_rttddft_output.F90 m_rttddft_propagate m_rttddft_propagate.F90 m_rttddft_propagators m_rttddft_propagators.F90 m_rttddft_properties m_rttddft_properties.F90 m_rttddft_tdks m_rttddft_tdks.F90 m_rwwf m_rwwf.F90 m_scf_history m_scf_history.F90 m_scfcv m_scfcv.F90 m_scfcv/scfcv_destroy m_scfcv/scfcv_init m_scfcv/scfcv_run m_scfcv/scfcv_runWEntropyDMFT m_scfcv/scfcv_scfcv m_scfcv_core m_scfcv_core.F90 m_screen m_screen.F90 m_screening m_screening.F90 m_screening_driver m_screening_driver.F90 m_scup_dataset m_scup_dataset.F90 m_self m_self.F90 m_setvtr m_setvtr.F90 m_sg2002 m_sg2002.F90 m_sgfft m_sgfft.F90 m_sigc m_sigc.F90 m_sigma m_sigma.F90 m_sigma_driver m_sigma_driver.F90 m_sigmaph m_sigmaph.F90 m_sigtk m_sigtk.F90 m_sigx m_sigx.F90 m_simtet m_simtet.F90 m_skw m_skw.F90 m_slc_dynamics m_slc_dynamics.F90 m_slc_potential m_slc_potential.F90 m_slc_primitive_potential m_slc_primitive_potential.F90 m_slk m_slk.F90 m_sort m_sort.F90 m_sorth_ph m_sortph.F90 m_spacepar m_spacepar.F90 m_special_funcs m_special_funcs.F90 m_specialmsg m_specialmsg.F90 m_spectra m_spectra.F90 m_spgbuilder m_spgbuilder.F90 m_spgdata m_spgdata.F90 m_spin_current m_spin_current.F90 m_spin_hist m_spin_hist.F90 m_spin_mc_mover m_spin_mc_mover.F90 m_spin_mover m_spin_mover.F90 m_spin_ncfile m_spin_ncfile.F90 m_spin_observables m_spin_observables.F90 m_spin_potential m_spin_potential.F90 m_spin_primitive_potential m_spin_primitive_potential.F90 m_spin_reciprocal m_spin_reciprocal.F90 m_spin_supercell m_spin_supercell.F90 m_splines m_splines.F90 m_spmat_base m_spmat_base.F90 m_spmat_convert m_spmat_convert.F90 m_spmat_coo m_spmat_coo.F90 m_spmat_csr m_spmat_csr.F90 m_spmat_dense m_spmat_dense.F90 m_spmat_lco m_spmat_lco.F90 m_spmat_lil m_spmat_lil.F90 m_spmat_ndcoo m_spmat_NDCOO.F90 m_spmat_spvec m_spmat_spvec.F90 m_Stat m_Stat.F90 m_Stat/Stat_linearReg m_Stat/Stat_powerReg m_strain m_strain.F90 m_stream_string m_stream_string.F90 m_stress m_stress.F90 m_supercell m_supercell.F90 m_supercell_maker m_supercell_maker.F90 m_suscep_stat m_suscep_stat.F90 m_symfind m_symfind.F90 m_symkpt m_symkpt.F90 m_symlist m_symlist.F90 m_symsg m_symsg.F90 m_symtk m_symtk.F90 m_tddft m_tddft.F90 m_tetrahedron m_tetrahedron.F90 m_thmeig m_thmeig.F90 m_timana m_timana.F90 m_time m_time.F90 m_tools_lotf.F90 m_twobody_interaction m_twobody_interaction.F90 m_type_pair_list m_type_pair_list.F90 m_unittests m_unittests.F90 m_upf2abinit m_upf2abinit.F90 m_use_ga.F90 m_vcoul m_vcoul.F90 m_vcoul/m_cutoff_cylinder m_vcoul/m_cutoff_slab m_vcoul/m_cutoff_sphere m_vdw_dftd2 m_vdw_dftd2.F90 m_vdw_dftd3 m_vdw_dftd3.F90 m_vdw_dftd3_data.F90 m_Vector m_Vector.F90 m_Vector/Vector_clear m_Vector/Vector_destroy m_Vector/Vector_enlarge m_Vector/Vector_init m_Vector/Vector_print m_Vector/Vector_pushBack m_Vector/Vector_setSize m_VectorInt m_VectorInt.F90 m_VectorInt/VectorInt_clear m_VectorInt/VectorInt_destroy m_VectorInt/VectorInt_enlarge m_VectorInt/VectorInt_init m_VectorInt/VectorInt_print m_VectorInt/VectorInt_pushBack m_VectorInt/VectorInt_setSize m_vhxc_me m_vhxc_me.F90 m_vkbr m_vkbr.F90 m_vtorho m_vtorho.F90 m_vtorhorec m_vtorhorec.F90 m_vtorhotf m_vtorhotf.F90 m_vtowfk m_vtowfk.F90 m_wfd.F90 m_wfd_optic m_wfd_optic.F90 m_wffile m_wffile.F90 m_wfk m_wfk.F90 m_wfk_analyze m_wfk_analyze.F90 m_wfutils m_wfutils.F90 m_work_var_lotf.F90 m_wvl_denspot m_wvl_denspot.F90 m_wvl_descr_psp m_wvl_descr_psp.F90 m_wvl_projectors m_wvl_projectors.F90 m_wvl_psi m_wvl_psi.F90 m_wvl_rho m_wvl_rho.F90 m_wvl_rwwf m_wvl_rwwf.F90 m_wvl_wfs m_wvl_wfs.F90 m_wvl_wfsinp m_wvl_wfsinp.F90 m_xc_noncoll m_xc_noncoll.F90 m_xc_noncoll/test_rotations m_xc_vdw m_xc_vdw.F90 m_xc_vdw/vdw_df_create_mesh m_xc_vdw/vdw_df_filter m_xc_vdw/vdw_df_indexof m_xc_vdw/vdw_df_internal_checks m_xc_vdw/vdw_df_interpolate m_xc_vdw/vdw_df_kernel m_xc_vdw/vdw_df_kernel_value m_xc_vdw/vdw_df_ldaxc m_xc_vdw/vdw_df_set_tweaks m_xc_vdw/vdw_df_tweaks_type m_xc_vdw/vdw_df_write_func m_xc_vdw/xc_vdw_aggregate m_xc_vdw/xc_vdw_done m_xc_vdw/xc_vdw_energy m_xc_vdw/xc_vdw_get_params m_xc_vdw/xc_vdw_init m_xc_vdw/xc_vdw_libxc_init m_xc_vdw/xc_vdw_memcheck m_xc_vdw/xc_vdw_read m_xc_vdw/xc_vdw_set_functional m_xc_vdw/xc_vdw_set_params m_xc_vdw/xc_vdw_show m_xc_vdw/xc_vdw_status m_xc_vdw/xc_vdw_trigger m_xc_vdw/xc_vdw_type m_xc_vdw/xc_vdw_write m_xcdata m_xcdata.F90 m_xchcth m_xchcth.F90 m_xchybrid m_xchybrid.F90 m_xciit m_xciit.F90 m_xclda m_xclda.F90 m_xcpbe m_xcpbe.F90 m_xcpositron m_xcpositron.F90 m_xctk m_xctk.F90 m_xfpack m_xfpack.F90 m_xg.F90 m_xgScalapack m_xgScalapack.F90 m_xgTools m_xgTransposer m_xgTransposer.F90 m_xieee m_xieee.F90 m_xmpi m_xmpi.F90 m_xomp m_xomp.F90 m_xpapi m_xpapi.F90 m_xredistribute m_xredistribute.F90 m_yaml m_yaml.F90 macro_uj_type macroave macroave.F90 macroin macroin2 mag_penalty mag_penalty_e make_angles make_angles_new make_angular_mesh make_bigbox make_bonds make_bonds_new make_dihedrals make_efg_el make_efg_ion make_efg_onsite make_epsm1_driver make_fc_paw make_gemm_nonlop make_grad_berry make_gvec_kss make_indklmn make_indlmn make_indln make_invovl make_invovl_kpt_gpu make_istwk_table make_klm2lm make_kln2ln make_mesh make_path make_prim_internals make_qmcshift_self make_transitions make_vectornd make_vectornd2 MapHyb mapkptsets mask2blocks massmult_and_breaksym mat_mlms2jmj mat_slm2ylm matches mati3det mati3inv matlu_type MATMUL_DP MATMUL_DPC matpointsym matr3eigval matr3inv matrginv matrix_from_complexmatrix matrix_from_global matrix_from_global_sym matrix_from_realmatrix matrix_function_epsilon_k matrix_function_epsilon_model_operator matrix_function_preconditioned_Hamiltonian matrix_get_local_cplx matrix_get_local_real matrix_scalapack matrix_scalapack_free matrix_set_local_cplx matrix_set_local_real matrix_to_complexmatrix matrix_to_global matrix_to_realmatrix matrix_to_reference matrixelmt_g MatrixHyb matsubara_mesh mcsrch mcstep md5_check md5_sum_from_file md5_sum_from_string mdfs_ncwrite mdielf_bechstedt mean_fftr meanvalue_g melements_free melements_herm melements_init melements_mpisum melements_print melements_t melements_zero melflags_copy melflags_reset melflags_t mels_get_exene_core mels_get_haene mels_get_kiene memana memkss memorf memory memory_eval mep_destroy mep_gbfgs mep_img_dotp mep_img_dotp_red mep_img_norm mep_img_norm_red mep_init mep_lbfgs mep_qmin mep_rk4 mep_steepest mep_type merge_and_sort_kg merge_ddb merge_kgirr metcon metcon_so metric metric_so metricrec_type metstr midpoint_ migdal_eliashberg_iso mincm mka2f mka2f_tr mka2f_tr_lova mka2fQgrid mkcore mkcore_alt mkcore_inner mkcore_wvl mkcore_wvl.F90 mkcore_wvl_old mkdenpos mkdump_Er mkem1_q0 mkeuler mkffkg mkffnl mkffnl_objs mkfilename mkfskgrid mkgrid_fft mkherm mkkin mkkin_metdqdq mkkpg mkkpgcart mklocl mklocl_realspace mklocl_recipspace mklocl_wavelets mknesting mknormpath mkph_linwid mkphbs mkphdos mkpwind_k mkqptequiv mkradim mkrdim mkresi mkrho mkrhotwg_sigma mkstar mkstar_dk1 mkstar_dk2 mksubham mksubovl mksupercell mkunitpawspherepot mlwfovlp mlwfovlp_proj mlwfovlp_projpaw mlwfovlp_pw mlwfovlp_qp mlwfovlp_radial mlwfovlp_seedname mlwfovlp_setup mlwfovlp_ylmfac mlwfovlp_ylmfar mod_prc_memory mod_prc_memory.F90 moddiel modify_Lbasis_Coulomb move_1geo mover mover_effpot mpi_distrib_is_ok mpi_setup MPI_type mpifft_collect_datar mpifft_dbox2fg mpifft_dbox2fg_dpc mpifft_dbox2fr mpifft_dbox2fr_dpc mpifft_fg2dbox mpifft_fg2dbox_dpc mpifft_fr2dbox mpifft_fr2dbox_dpc mpio_read_eigocc_k mpio_read_kg_k mpio_write_eigocc_k mpio_write_kg_k mpiotk_read_fsuba_dp2D mpiotk_read_fsuba_dpc3D mpiotk_read_fsuba_dpc4D mpiotk_write_fsuba_dp2D mpiswitch mpiswitch_cent mprod mrgddb mrgddb.F90 mrgdv mrgdv.F90 mrggkk mrggkk.F90 mrgscr mrgscr.F90 msg_hndl msig mttk_fin mttk_ini mttk_type mult_table multibinit multibinit.F90 multibinit_dtset_free multibinit_dtset_init multibinit_dtset_type multibinit_main multibinit_main2 multipoles_fftr multipoles_out multithreaded_getghc multpot mvrecord my_ext_buffers my_hdr_skip my_ind_positions my_locc my_locr my_mode2str my_pack_matrix my_select_melements my_sort

N

nablarealgaunt name_of nanal9 natoccs nc_ihr_comm ncfdim_t ncname_from_id nctab_copy nctab_eval_tcorespl nctab_eval_tvalespl nctab_free nctab_init nctab_mixalch nctab_t nctk_add_etsf_header nctk_def_array_list nctk_def_basedims nctk_def_dim_list nctk_def_dpscalars nctk_def_iscalars nctk_def_one_array nctk_def_one_dim nctk_def_scalars_type nctk_defnwrite_dpvars nctk_defnwrite_ivars nctk_defwrite_nonana_raman_terms nctk_defwrite_nonana_terms nctk_defwrite_raman_terms nctk_fort_or_ncfile nctk_get_dim nctk_idname nctk_ncify nctk_open_create nctk_open_modify nctk_open_read nctk_read_datar nctk_set_atomic_units nctk_set_collective nctk_set_datamode nctk_set_default_for_seq nctk_set_defmode nctk_string_from_occopt nctk_test_mpiio nctk_try_fort_or_ncfile nctk_write_datar nctk_write_dpscalars nctk_write_ibz nctk_write_iscalars nctkarr_t nctkerr_t nctkvar_t ncwrite_eigen1_occ ncwrite_v1qnu nderiv nderiv_gen nderiv_lin netcdf_check new_self new_setup_ppmodel newfermie1 NewK newkpt newocc newrap_step newrho newton newvtr next_token nfourier ngfft_seq nhatgrid nlenergyrec nlinopt nlopt nlpsprec_type nmsq_gam nmsq_gam_sumfs nmsq_pure_gkk nmsq_pure_gkk_sumfs no2ks no_mpiotk no_scalapack nonlinear nonlinopt nonlop nonlop_gpu nonlop_pl nonlop_test nonlop_ylm nonlop_ylm_init_counters nonlop_ylm_output_counters nonlop_ylm_stop_counters norm_k norm_kc normalization_plowannier normalize normalizepsichi normsq_gkq normv_int_vector normv_int_vector_array normv_rdp_vector normv_rdp_vector_array nres2vres nullify nullify_mpi_enreg nullify_results_img nullify_wvl_data num_opened_units

O

occ_be occ_dbe occ_dfde occ_fd occeig occup_fd occup_green_tau occupfd odamix offset_in_file old_fftw3_mpifourdp omega_decomp onestep open_file open_haydock oper_type opernl2 opernl3 opernl4a opernl4b opernla_ylm opernla_ylm_mv opernlb_ylm opernlb_ylm_mv opernlc_ylm opernld_ylm operwan_realspace_type operwan_type opt_boundcoeff opt_effpot opt_effpotbound opt_filterdisp opt_getCombisforterm opt_getHOcrossdisp opt_getHOforterm opt_getHOSingleDispTerms opt_getHOstrain opt_getHoTerms opt_getSingleDispTerms optic optic.F90 optics_paw optics_paw_core optics_vloc orbital_type orbmag_tt orbmag_tt_output order_fs_kpts order_supercell_typat order_wannier ordr ortho_reim orthogonalize out1dm out_acknowl out_geometry_xml out_phpi out_phpi_nc out_resultsgs_xml outbsd outelph outg2f outgkk outkss outnesting outphdos output_chi0sumrule output_epsilon_eigenvalues output_results output_Sigma_A_by_eigenvalues outqmc outresid outscfcv outvar_a_h outvar_i_n outvar_o_z outvars outvars_band2eps outvars_multibinit outvars_scup outwant outwf outxfhist outxml_finalise outxml_open overlap_g overlap_k1k2_paw ovlp_wann

P

pack_eneocc pack_matrix pade pair_list_free pair_list_get pair_list_increment pair_list_iter pair_list_length pair_list_look pair_list_next pair_list_restart pair_list_set pair_list_set_keys pair_list_set_keys_to_null paral_kgb_transpose parchk pareigocc parse_kargs parse_skw_params parse_yesno parsefile partial_dos_fractions partial_dos_fractions_paw paw2wvl paw2wvl_ij paw_an_copy paw_an_free paw_an_gather paw_an_init paw_an_isendreceive_fillbuffer paw_an_isendreceive_getbuffer paw_an_nullify paw_an_print paw_an_redistribute paw_an_reset_flags paw_an_type paw_begin_element1 paw_cross_ihr_comm paw_cross_rho_tw_g paw_derfc paw_dfptnl_accrhoij paw_dfptnl_energy paw_dfptnl_xc paw_dijhf paw_dmft_type paw_end_element1 paw_gencond paw_ihr paw_ij_copy paw_ij_free paw_ij_gather paw_ij_init paw_ij_isendreceive_fillbuffer paw_ij_isendreceive_getbuffer paw_ij_nullify paw_ij_print paw_ij_redistribute paw_ij_reset_flags paw_ij_type paw_jbessel paw_jbessel_4spline paw_mkdijexc_core paw_mknewh0 paw_mkrhox paw_mkrhox_spl paw_overlap paw_phirotphj paw_pwaves_lmn_free paw_pwaves_lmn_init paw_pwaves_lmn_t paw_qpscgw paw_rdfromline paw_rho_tw_g paw_setup_copy paw_setup_free paw_setup_t paw_sigxcore paw_smooth paw_solvbes paw_sort_dp paw_spline paw_splint paw_splint_der paw_symcprj paw_symcprj_op paw_uniform_splfit pawaccenergy pawaccenergy_nospin pawaccrhoij pawang_free pawang_init pawang_lsylm pawang_type pawcprj_alloc pawcprj_axpby pawcprj_bcast pawcprj_conjg pawcprj_copy pawcprj_free pawcprj_gather_spin pawcprj_get pawcprj_getdim pawcprj_lincom pawcprj_mpi_allgather pawcprj_mpi_exch pawcprj_mpi_recv pawcprj_mpi_send pawcprj_mpi_sum pawcprj_output pawcprj_pack pawcprj_projbd pawcprj_put pawcprj_reorder pawcprj_set_zero pawcprj_symkn pawcprj_transpose pawcprj_type pawcprj_unpack pawcprj_zaxpby pawdata_chunk pawdenpot pawdensities pawdfptenergy pawdij pawdij2e1kb pawdij2ekb pawdij_gather pawdij_print_ij pawdijexxc pawdijfock pawdijfr pawdijhartree pawdijhat pawdijnd pawdijso pawdiju pawdiju_euijkl pawdijxc pawdijxcm pawexpiqr pawfgr_destroy pawfgr_init pawfgr_nullify pawfgr_type pawfgrtab_copy pawfgrtab_free pawfgrtab_gather pawfgrtab_init pawfgrtab_isendreceive_fillbuffer pawfgrtab_isendreceive_getbuffer pawfgrtab_nullify pawfgrtab_print pawfgrtab_redistribute pawfgrtab_type pawgrnl pawgrnl_convert pawgylm pawgylmg pawhur_free pawhur_init pawhur_t pawinit pawio_print_ij pawkindensities pawmkaewf pawmknhat pawmknhat_psipsi pawmkrho pawmkrhoij pawnabla_core_init pawnabla_init pawnabla_soc_init pawnhatfr pawpolev pawprt pawpsp_17in pawpsp_7in pawpsp_bcast pawpsp_calc pawpsp_calc_d5 pawpsp_cg pawpsp_check_xml_upf pawpsp_consistency pawpsp_header_type pawpsp_lo pawpsp_main pawpsp_nl pawpsp_read pawpsp_read_corewf pawpsp_read_header pawpsp_read_header_2 pawpsp_read_header_xml pawpsp_read_pawheader pawpsp_rw_atompaw pawpsp_vhar2rho pawpsp_wvl pawpsp_wvl_calc pawpsp_wvl_sin2gauss pawpsxml2ab pawpupot pawpuxinit pawpwff_free pawpwff_init pawpwff_t pawpwij_free_d1 pawpwij_free_d2 pawpwij_init pawpwij_t pawr pawrad_bcast pawrad_copy pawrad_deducer0 pawrad_free_0D pawrad_free_1D pawrad_ifromr pawrad_init pawrad_isame pawrad_print pawrad_type pawrfgd_fft pawrfgd_wvl pawrhoij_alloc pawrhoij_bcast pawrhoij_copy pawrhoij_filter pawrhoij_free pawrhoij_free_unpacked pawrhoij_gather pawrhoij_init_unpacked pawrhoij_inquire_dim pawrhoij_io pawrhoij_isendreceive_fillbuffer pawrhoij_isendreceive_getbuffer pawrhoij_mpisum_unpacked_1D pawrhoij_mpisum_unpacked_2D pawrhoij_nullify pawrhoij_print_rhoij pawrhoij_redistribute pawrhoij_symrhoij pawrhoij_type pawrhoij_unpack pawsushat pawtab_bcast pawtab_free_0D pawtab_free_1D pawtab_get_lsize pawtab_nullify_0D pawtab_nullify_1D pawtab_print pawtab_set_flags_0D pawtab_set_flags_1D pawtab_type pawuenergy pawuj_det pawuj_drive pawuj_free pawuj_ini pawuj_red pawxc pawxc_dfpt pawxc_drivexc_abinit pawxc_drivexc_libxc pawxc_drivexc_wrapper pawxc_get_nkxc pawxc_get_usekden pawxc_get_uselaplacian pawxc_get_xclevel pawxc_mkdenpos_local pawxc_mkdenpos_wrapper pawxc_rotate_back_mag pawxc_rotate_back_mag_dfpt pawxc_rotate_mag pawxc_size_dvxc_local pawxc_size_dvxc_wrapper pawxc_xcmult_local pawxc_xcmult_wrapper pawxc_xcpositron_abinit pawxc_xcpositron_local pawxc_xcpositron_wrapper pawxcm pawxcm_dfpt pawxcmpositron pawxcpositron pawxcsph pawxcsph_dfpt pawxcsphpositron pawxcsum pawxenergy pawxpot pbc_aa_contract pbc_bb_contract pbc_bb_proj pbc_init pbc_lotf pc_k_valence_kernel pdtqrc pead_nl_loop pead_nl_mv pead_nl_resp per_cond_int per_cond_int3 per_cond_re per_dist_int per_dist_int1 per_dist_int3 perms perms permutations pfactorize ph1d3d phase phdispl_cart2red phdispl_from_eigvec phdos_calc_vsound phdos_free phdos_init phdos_ncwrite phdos_print phdos_print_msqd phdos_print_vsound pheigvec_normalize pheigvec_rotate phgamma_eval_qibz phgamma_free phgamma_init phgamma_interp phgamma_interp_setup phgamma_linwid phgamma_ncwrite phgamma_setup_qpoint phgamma_t phgamma_vv_eval_qibz phgamma_vv_interp phgamma_vv_interp_setup phi_n_calc phim phonon_dos_type phonons_ncwrite phonons_write_gnuplot phonons_write_phfrq phonons_write_xmgrace phstore_async_rotate phstore_free phstore_new phstore_t phstore_wait pick_aname pimd_apply_constraint pimd_coord_transform pimd_destroy pimd_diff_stress pimd_energies pimd_force_transform pimd_forces pimd_init pimd_init_qtb pimd_initvel pimd_is_restart pimd_langevin_forces pimd_langevin_npt pimd_langevin_nvt pimd_langevin_random pimd_langevin_random_bar pimd_langevin_random_init pimd_langevin_random_qtb pimd_mass_spring pimd_noseehoover_forces pimd_nosehoover_npt pimd_nosehoover_nvt pimd_nosehoover_propagate pimd_nullify pimd_predict_taylor pimd_predict_verlet pimd_print pimd_skip_qtb pimd_stresses pimd_temperature pimd_type pinterp pinterp_nolinear Pk Pk_model Pk_model_implementation_1 pl_deriv plint plm_coeff plm_d2theta plm_dphi plm_dtheta plowannier_type pmat2cart pmat_renorm point_group_free point_group_init point_group_print point_group_t poisson polaronmass polcart polish_irreps polyn_interp polynomial_coeff_broadcast polynomial_coeff_evaluate polynomial_coeff_free polynomial_coeff_getEvenAnhaStrain polynomial_coeff_getList polynomial_coeff_getName polynomial_coeff_getNorder polynomial_coeff_getOrder1 polynomial_coeff_init polynomial_coeff_list_free polynomial_coeff_MPIrecv polynomial_coeff_MPIsend polynomial_coeff_setCoefficient polynomial_coeff_setName polynomial_coeff_type polynomial_conf_evaluate polynomial_conf_free polynomial_conf_init polynomial_conf_type polynomial_term_free polynomial_term_init polynomial_term_type posdoppler position_wan_type poslifetime posratecore potential_list_t ppm_free ppm_get_qbz ppm_init ppm_mallocq ppm_nullify ppm_symmetrizer ppm_table_free ppm_times_ket ppmodel_t prc_mem_free prc_mem_init prcref prcref_PMA prcrskerker1 prcrskerker2 pre_gather pre_scatter prec_simple precond1 precondition precondition_cplx precpred_1geo pred_bfgs pred_delocint pred_diisrelax pred_fire pred_hmc pred_isokinetic pred_isothermal pred_langevin pred_lbfgs pred_moldyn pred_nose pred_simple pred_srkna14 pred_steepdesc pred_velverlet pred_verlet predict_copy predict_ga predict_neb predict_pimd predict_steepest predict_string predictimg prep_bandfft_tabs prep_calc_ucrpa prep_char prep_fourwf prep_getghc prep_index_wavef_bandpp prep_nonlop prep_sort_wavef_spin prep_wavef_sym_do prep_wavef_sym_undo prepare_ftinterp prepareValenceWavefunctions print_arr1d_dpc print_arr1d_spc print_arr2d_dpc print_arr2d_spc print_atomorb print_band_energies print_bonds print_bs_files print_bs_parameters print_chi2 print_chkprdm print_dchidtau print_dmft print_efmas print_energy print_fofr_cube print_fofr_ri print_fofr_xyzri print_green print_gsphere print_hu print_kinds print_matlu print_ngfft print_oper print_operwan print_peaks print_plowannier print_rta_txt_files print_sc_dmft print_self print_sigma_melems print_Sigma_perturbative print_Sigma_QPSC print_symmetries print_tot_occ print_total_energy print_tr_efmas printbxsf printmagvtk printocc_green printplot_matlu printrdm_k printTimes printvee_hu printvtk printxsf priority_from_eph_task prmat proc_distrb_band proc_distrb_cycle proc_distrb_cycle_bands proc_distrb_kptband proc_distrb_nband processor_scalapack prod_matlu prod_oper prof_fourdp prof_fourwf prof_rhotwg progress projbd ProjectedSternheimerEpsilon projector_wan_type prompt_exit prompt_int0D prompt_int1D prompt_int2D prompt_rdp0d prompt_rdp1D prompt_rdp2D prompt_string prt_cif prt_den prt_device_info prt_dos prt_eig prt_gkk_yambo prt_mem_usage prt_occ prt_restart prt_wfk prtdenmagsph prtefield prteigrs prtene prtfatbands prtimg prtnatom prtocc prtposcar prtrhomxmn prtspgroup prttagm prttagm_images prtworkadv prtworksim prtworksiRe prtxf prtxfase prtxvf psddb8 psden pseudopotential_gth_type pseudopotential_type psichi_check psichi_print psichi_renormalization psml_die PSolver Psolver_hartree psolver_kernel psolver_rhohxc psp10in psp10nl psp11lo psp11nl psp1cc psp1in psp1lo psp1nl psp2in psp2lo psp2nl psp2params_copy psp2params_free psp2params_init psp3in psp3nl psp4cc psp5in psp5lo psp5nl psp6cc psp6cc_drh psp6in psp8cc psp8in psp8lo psp8nl psp9cc psp9in psp_dump_outputs pspatm pspcor pspheader_paw_type pspheader_type pspheads_comm pspini pspnl_hgh_rec pspnl_operat_rec psps_copy psps_free psps_init_from_dtset psps_init_global psps_ncwrite psps_print ptabs_fourdp ptabs_fourwf ptg_C1 ptg_C2 ptg_C2h ptg_C2v ptg_C3 ptg_C3h ptg_C3i ptg_C3v ptg_C4 ptg_C4h ptg_C4v ptg_C6 ptg_C6h ptg_C6v ptg_Ci ptg_Cs ptg_D2 ptg_D2d ptg_D2h ptg_D3 ptg_D3d ptg_D3h ptg_D4 ptg_D4h ptg_D6 ptg_D6h ptg_O ptg_Oh ptg_S4 ptg_T ptg_Td ptg_Th ptgmadata put_eneocc_vect pw_orthon pw_orthon_paw

Q

q0dy3_apply q0dy3_calc qcache_free qcache_get_mbsize qcache_new qcache_qcache_make_room qcache_report_stats qcache_t qijb_kk qmatrix qmc_prep_ctqmc qmr qpoints_oracle qrfac qrsolv quadrature quadrature_sigma_cw quote

R

r2s r8_gamma_gq r8mat_write RadFnH radial_func_t radial_grid_t radsintr radsmear ramansus random_stopping_power randomcellpos rayleigh_ritz_distributed rayleigh_ritz_subdiago rchkGSheader rdddb9 rdfromline rdfromline_value rdgw rdp2cdp_2D rdp2cdp_3D rdp2cdp_4D rdp2cdp_5D rdp2cdp_6D rdpawpsxml rdpawpsxml_core rdpawpsxml_header rdqps re_and_im_screening re_and_im_screening_with_phase re_screening read_atomden read_chkunit read_csts_hist read_dim_haydock read_el_veloc read_first_record read_gkk read_haydock read_md_hist read_md_hist_img read_plowannier read_primcell_ddb_info read_rhor read_screening read_string read_vars_hist read_wfd read_wfk readocc_dmft readwf real_array_type realgaunt recGPU_type recip_ylm recompute_select_qbz_spin recursion recursion_nl recursion_type reddd redgr reduce reduce_operwan_realspace reduce_zero_combinations regauge regauge2 relaxpol remove_copies remove_inversion remove_phase removesp renorm_bst replace replace_ch0 repr_1trans repr_2trans reshape_pot respfn results_gs_ncwrite results_gs_type results_gs_yaml_write results_img_type results_out_type results_respfn_type reverse_int reverse_rdp rf2_accumulate_bands rf2_apply_hamiltonian rf2_destroy rf2_getidir rf2_getidirs rf2_init rf2_t rf_hamiltonian_type rf_transgrid_and_pack rfactorial rfactorial rho_devs rho_tw_g rhohxcpositron rhop_value rhophi rhotov rhotoxc ritz_analysis_general rmm_diis rmm_diis_eval_mats rmm_diis_exit_iter rmm_diis_free rmm_diis_new rmm_diis_print_block rmm_diis_push_iter rmm_diis_update_block rmquotes rmtabfromline rot_cg rotate_back_mag rotate_back_mag_dfpt rotate_cprj rotate_FFT_mesh rotate_fqg rotate_ks_no rotate_mag rotate_matlu rotate_rho rotate_spinor rotatevee_hu rotmat round_brackets rows rpa_symepsm1 rprimd_from_ptgroup rrs_of_glob rsurf rta_driver rta_free rta_ncwrite rta_new rta_t rttddft rttddft_calc_density rttddft_calc_eig rttddft_calc_energy rttddft_calc_enl rttddft_calc_ent rttddft_calc_kin rttddft_calc_occ rttddft_exp_taylor rttddft_init_hamiltonian rttddft_output rttddft_propagate_ele rttddft_propagate_nuc rttddft_propagator_emr rttddft_propagator_er rttddft_setup_ele_step rule_write run_MvT run_varT rw_self rwRecordMarker rwwf

S

s_to_i4 s_to_r8 safe_div saveocc_dmft sbf8 scalewf_nonlop scatter_array_img scf_history_free scf_history_init scf_history_nullify scf_history_type scfcge scfcv_core scfcv_t scfeig scfopt scprod_k scprod_kc scprqt scqf scramble screen_fgg_qbz_set screen_free screen_ihave_fgg screen_info_print screen_info_t screen_init screen_mdielf screen_nullify screen_symmetrizer screen_t screen_w0gemv screened_coul_kernel screening scup_dtset_free scup_dtset_init scup_dtset_type scup_kpath_new scup_kpath_print sec2str second_setup self_type selfreal2imag_self sentinel sequential_fitting set_atomic_structure set_auxiliary_flags set_backtrace_onerr set_dft_from_indices set_dft_from_name set_dft_value set_dielectric_function_frequency set_istwfk set_mpi_enreg_fft set_params set_pert_comm set_pert_paw set_precondition set_wf setComm setdevice_cuda setmesh setmqgrid setnabla_ylm setnoccmmp setrhoijpbe0 setshells setsym setsym_ylm setup1 setup2 setup_bse setup_bse_interp setup_fsuba_dp2D setup_G_rotation setup_k_rotation setup_Lanczos_basis setup_LanczosResolvents setup_Pk_model setup_positron setup_ppmodel setup_screening setup_sigma setup_spectral setup_timing_log setup_vcp setvtr setWFParameter sg2002_accrho sg2002_applypot sg2002_applypot_many sg2002_back sg2002_forw sg2002_mpiback_wf sg2002_mpiforw_wf sg2002_mpifourdp sg_ctrig sg_fft_cc sg_fft_rc sg_fftpad sg_fftpx sg_fftrisc sg_fftrisc_2 sg_fftx sg_ffty sg_fftz sg_multable sg_poisson sgqf shape_function_t shapefunc1 shapefunc1_0 shapefunc2 shapefunc2_0 shapefunc3 shellstruct shift_matlu show_backtrace show_character_tables show_QP show_units side_plasma sigijtab_free sigma sigma_bksmask sigma_distribute_bks sigma_free sigma_get_excene sigma_get_exene sigma_init sigma_is_herm sigma_ncwrite sigma_needs_ppm sigma_needs_w sigma_t sigma_tables sigma_type_from_key sigmaph sigmaph_compare sigmaph_free sigmaph_gather_and_write sigmaph_get_all_qweights sigmaph_get_ebands sigmaph_new sigmaph_print sigmaph_read sigmaph_setup_kcalc sigmaph_setup_qloop sigmaph_skip_phmode sigmaph_t sigmaph_write sigparams_free sigparams_t sigtk_kcalc_from_erange sigtk_kcalc_from_gaps sigtk_kcalc_from_nkptgw sigtk_kcalc_from_qprange sigtk_kpts_in_erange simp_gen simpson simpson_cplx simpson_int sincos size_dvxc size_goed_fft sjoin_2 sjoin_3 sjoin_4 sjoin_5 sjoin_6 sjoin_7 skip_dim_haydock skw_eval_bks skw_free skw_ncwrite skw_new skw_print skw_t slat_intg slatang_cshell_free slatang_cshell_init slatang_cshell_t slatrad_cshell_free slatrad_cshell_init slatrad_cshell_t slatrad_free_0D slatrad_free_1D slatrad_init slatrad_t slk_bsize_and_type slk_matrix_from_global_dpc_1Dp slk_matrix_from_global_dpc_2D slk_matrix_loc2glob slk_matrix_to_global_dpc_2D slk_my_rclist slk_pzgemm slk_pzheev slk_pzheevx slk_pzhegvx slk_read slk_single_fview_read slk_single_fview_read_mask slk_single_fview_write slk_symmetrize slk_write slk_zdhp_invert slk_zinvert slm2ylm_matlu slxyzs smallfit smallprim smatrix smatrix_k_paw smatrix_pawinit smeared_delta smooth smpbz solve_dyson solve_inner sort_4tetra sort_4tetra_int sort_combination sort_combination_list sort_dp sort_int sort_rpts sort_tetra sort_weights SortC sortph space spatialchempot specialmsg_getcount specialmsg_mpisum specialmsg_setcount spectra_free spectra_init spectra_repr spectra_t spectra_write spectral_function spgdata sphere sphere_fft sphere_fft1 sphereboundary sphericaldens spin_current spin_hist_t spin_mover_t spin_mover_t_run_one_step_dummy spin_mover_t_run_one_step_HeunP spin_mover_t_run_time spin_store_t spinrot_cmat splfit spline spline_bicubic spline_c spline_complex spline_fct spline_integrate splint splint_complex split_work sqmat_iconjgtrans_dpc sqmat_iconjgtrans_spc sqmat_itranspose_dp sqmat_itranspose_dpc sqmat_itranspose_sp sqmat_itranspose_spc sqmat_oconjgtrans_dpc sqmat_oconjgtrans_spc sqmat_otranspose_dp sqmat_otranspose_dpc sqmat_otranspose_sp sqmat_otranspose_spc sqmr sqnorm_g sqnorm_v sqnormm_v sqrt_vc_k star_from_ibz_idx start_exx startswith state_t stats_eval stats_t stoa stop_exx str2sec str2wfktask str2xtype strain_type strainsym strcat_2 strcat_3 strcat_4 strcat_5 strconv stream_copy stream_debug stream_free stream_pop_chunk stream_push stream_to_file stream_to_string stream_transfer stress stress_voigt_to_mat stresssym strfock strhar strsocv subdiago subdiago_low_memory subspace_rotation sum_irreps summ_2gaunt supercell_type surf suscep_stat susk suskmm switch switch_cent switchreal switchreal_cent sygrad sym_matlu sym_rhotwgq0 symanal symatm symaxes symbol2znucl symbol_iatom symbol_type symbols_crystal symbrav symcharac symchk symdet symdij symdij_all symdm9 symdyma symfind symg symkchk symkpt symkpt_new symlatt symlist_bcc symlist_fcc symlist_others symlist_prim symmetrize_afm_chi0tk symmetrize_dpc symmetrize_rprimd symmetrize_spc symmetrize_tnons symmetrize_xred symplanes symptgroup symredcart symrel2string symrelrot symrhg symsgcube symsghexa symsgmono symsgortho symsgtetra symspgr sys_exit system_ddb2effpot system_getDimFromXML system_xml2effpot sytens

T

t_htetra_bucket t_tetrahedron table_gbig2kg tddft tdexcsdtiit tdks_free tdks_init termcutoff terms_compare test1 test2 test_abifiles test_charge test_dummy test_md5_sum_from_file.F90 test_md5_sum_from_string.F90 test_phrotation test_same_actual_arg test_unused_arg test_xginv test_xml_xmlpaw_upf testcode_ctqmc testcode_ctqmc_b testEffPot testfi testkgrid testTransposer testtransposer.F90 tetra_blochl_weights tetra_from_kptrlatt tetra_get_onetetra_wvals tetra_get_onewk tetra_get_onewk tetra_get_onewk_wvals tetra_unittests tetra_write tetra_zinv_convergence tetralib_has_mpi tf tfek tgamma_symm thermal_supercell_free thermal_supercell_make thermal_supercell_print thmeig timab timana time_accu time_fftbox time_fftu time_fourdp time_fourwf time_get_papiopt time_rhotwg time_set_papiopt timein times_eigr times_eikr to_upper tolower tools_lotf toupper trace2 trace_matlu trace_oper training_set_free training_set_init training_set_type trans_plasma transgrid transition trapezoidal_ trimzero trottersum ts_usug_kkp_bz tuneparms

U

udens_inglis_hu udens_slatercondon_hu uderiv ujdet ujdet.F90 unfill unfill_cent uniformrandom unit_matrix_cdp unit_matrix_int unit_matrix_rdp unitarity_checker unmpiswitch unmpiswitch_cent unpack_eneocc unscramble unset_mpi_enreg_fft unset_pert_comm unset_pert_paw unset_precondition unsetdevice_cuda unswitch unswitch_cent unswitchreal unswitchreal_cent unused_ch unused_cplx_dpc unused_cplx_spc unused_int unused_logical unused_logical1B unused_real_dp unused_real_sp upd_lis upd_lis0 update_cprj update_e_field_vars update_hdr_bst updt_m_ks_to_qp upf2abinit upfheader2abi upfold_oper upfxc2abi uplo_plasma upper uppert_index use_cgemm3m use_zgemm3m usur_kkp_bz

V

v1atm_to_vqnu v1phq_complete v1phq_rotate v1phq_rotate_myperts v1phq_symmetrize valence_states_t var2hist var_from_id var_from_name varname_from_fname vcoul_free vcoul_init vcoul_plot vcoul_print vcoul_t vcut_t vdiff_eval vdiff_print vdiff_t vdot vdotw_rc_vector vdotw_rr_vector vdw_df_netcdf_ioerr vdw_df_saturation vdw_dftd2 vdw_dftd3 vdw_dftd3_data vdw_kernelgen vdw_kernelgen.F90 vec_int vec_prod vecp Vector VectorInt vee2udens_hu vee2udensatom_hu vee_ndim2tndim_hu vee_ndim2tndim_hu_r vee_slm2ylm_hu vee_ylm2jmj_hu vel2hist vel_rescale vel_to_gauss vgh_rho vhtnzc vkbr_free_0D vkbr_free_1D vkbr_init vkbr_t vloc_zero_mklocl vlocalstr vn_nl_rec vnorm vso_realspace_local vtorho vtorhorec vtorhotf vtowfk vv10limit

W

wannier wave_copy wave_free wave_init wave_t waveformat wedge_basis wedge_product wf_block_distribute wf_mixing wfconv wfcopy wfd_all_mgq0 wfd_change_ngfft wfd_copy_cg wfd_dump_errinfo wfd_extract_cgblock wfd_free wfd_get_cprj wfd_get_many_ur wfd_get_socpert wfd_get_ug wfd_get_ur wfd_get_wave_prt wfd_ihave_ug wfd_init wfd_mybands wfd_norm2 wfd_paw_get_aeur wfd_print wfd_push_ug wfd_read_wfk wfd_reset_ur_cprj wfd_sym_ug_kg wfd_sym_ur wfd_t wfd_test_ortho wfd_ug2cprj wfd_wave_free wfd_xdotc wfdgw_bands_of_rank wfdgw_bks_distrb wfdgw_copy wfdgw_distribute_bands wfdgw_distribute_bbp wfdgw_distribute_kb_kpbp wfdgw_get_nl_me wfdgw_iterator_bks wfdgw_mkrho wfdgw_pawrhoij wfdgw_plot_ur wfdgw_rank_has_ug wfdgw_rotate wfdgw_sanity_check wfdgw_show_bkstab wfdgw_t wfdgw_update_bkstab wfdgw_who_has_ug wfdgw_write_wfk wff_ireadf90 wff_usef90 WffClose WffDelete wffile_type WffKg WffOffset WffOpen WffReadDataRec_dp1d WffReadDataRec_dp2d WffReadNpwRec WffReadSkipK WffReadSkipRec WffReadWrite_mpio WffWriteDataRec_dp1d WffWriteDataRec_dp2d WffWriteDataRec_int2d WffWriteNpwRec wfk_analyze wfk_check_wfkfile wfk_close wfk_compare wfk_compute_offsets wfk_create_wfkfile wfk_diff wfk_findk wfk_klist2mesh wfk_nc2fort wfk_ncdef_dims_vars wfk_open_read wfk_open_write wfk_print wfk_prof wfk_read_band_block wfk_read_bks wfk_read_bmask wfk_read_ebands wfk_read_eigenvalues wfk_read_eigk wfk_read_h1mat wfk_read_my_kptbands wfk_rewind wfk_seek wfk_show_offsets wfk_t wfk_tofullbz wfk_update_f90ptr wfk_validate_ks wfk_write_band_block wfk_write_h1mat wfk_write_my_kptbands wfsinp wght9 which_irrep wigner_seitz wings3 work_var_dealloc work_var_lotf work_var_set wrap2_pmhalf wrap2_zero_one wrap_CGEEV wrap_CHEEV wrap_CHPEV wrap_ZGEEV wrap_ZHEEV wrap_ZHEEVX wrap_ZHEGV wrap_ZHEGVX wrap_ZHPEV write_block_lanczos_timing_log write_csts_hist write_dft_name write_dim_haydock write_eig write_haydock write_int_0d write_kss_header write_kss_wfgk write_lines write_md_hist write_md_hist_img write_primcell_ddb_info write_rdp_0d write_screening write_sigma_header write_sigma_results write_tensor write_text_block_in_Timing_log write_timing_log write_var_netcdf write_vars_hist write_vkb writeq_int_0D writeq_rdp_0D writewf wrqps wrt_moldyn_netcdf wrtloctens wrtout_myproc wrtout_unit wrtout_units wvl_comm_eigen wvl_cprjreorder wvl_data wvl_denspot_free wvl_denspot_set wvl_denspot_type wvl_descr_atoms_set wvl_descr_atoms_set_sym wvl_descr_free wvl_descr_psp_fill wvl_descr_psp_set wvl_eigen_abi2big wvl_energy_terms wvl_hpsitopsi wvl_initro wvl_internal_type wvl_memory wvl_mkrho wvl_nhatgrid wvl_nl_gradient wvl_nscf_loop wvl_nscf_loop_bigdft wvl_occ wvl_occ_abi2big wvl_occ_bigdft wvl_occopt_abi2big wvl_paw_free wvl_prcref wvl_projectors_free wvl_projectors_set wvl_projectors_type wvl_psitohpsi wvl_read wvl_rho_abi2big wvl_rhov_abi2big_1D_1D wvl_rhov_abi2big_1D_2D wvl_rhov_abi2big_1D_4D wvl_rhov_abi2big_2D_1D wvl_rhov_abi2big_2D_2D wvl_rhov_abi2big_2D_4D wvl_rhov_abi2big_gen wvl_setBoxGeometry wvl_setngfft wvl_tail_corrections wvl_vhartr_abi2big wvl_vtrial_abi2big wvl_vxc_abi2big wvl_wf_type wvl_wfs_free wvl_wfs_lr_copy wvl_wfs_set wvl_wfsinp_disk wvl_wfsinp_reformat wvl_wfsinp_scratch wvl_write wvlpaw_allocate wvlpaw_free wvlpaw_nullify wvlpaw_rholoc_free wvlpaw_rholoc_nullify wvlpaw_rholoc_type wvlpaw_type

X

xc_char_to_c xc_char_to_f xc_functional_t xcart2deloc xcart2xred xcdata_init xcdata_type xcden xchcth xchelu xchybrid_ncpp_cc xciit xclb xcmult xcomm_t xcpbe xcpositron xcpot xcpotdq xcpzca xcspol xctetr xctfw xcwign xcxalp xdefineOff xderiveRead_dp xderiveRead_dp1d xderiveRead_dp2d xderiveRead_dp2d_displ xderiveRead_int xderiveRead_int1d xderiveRead_int2d xderiveRead_int2d_displ xderiveReadVal_char xderiveRRecEnd xderiveRRecInit xderiveWRecEnd xderiveWRecInit xderiveWrite_char xderiveWrite_dp xderiveWrite_dp1d xderiveWrite_dp2d xderiveWrite_dp2d_displ xderiveWrite_dp2d_seq xderiveWrite_int xderiveWrite_int1d xderiveWrite_int2d xderiveWrite_int2d_displ xfh_recover_deloc xfh_recover_new xfh_update xfpack_f2vout xfpack_vin2x xfpack_x2vin xg_associated xg_finalize xg_free xg_get xg_init xg_set xg_setBlock xgBlock_add xgBlock_average xgBlock_colwiseCymax xgBlock_colwiseDivision xgBlock_colwiseDotProduct xgBlock_colwiseMulC xgBlock_colwiseMulR xgBlock_colwiseNorm2 xgBlock_copy xgBlock_cshift xgBlock_deviation xgBlock_diagonal xgBlock_diagonalOnly xgBlock_gemmC xgBlock_gemmR xgBlock_get xgBlock_getSize xgBlock_heev xgBlock_heevd xgBlock_hegvd xgBlock_hegvx xgBlock_hgev xgBlock_hpev xgBlock_hpevd xgBlock_hpgv xgBlock_hpgvd xgBlock_hpgvx xgBlock_map xgBlock_one xgBlock_pack xgBlock_potrf xgBlock_print xgBlock_reshape xgBlock_reverseMap xgBlock_saxpyC xgBlock_saxpyR xgBlock_scaleC xgBlock_scaleR xgBlock_set xgBlock_setBlock xgBlock_trsmC xgBlock_trsmR xgBlock_zero xgScalapack_init xgTransposer_computeDistribution xgTransposer_constructor xgTransposer_copyConstructor xgTransposer_free xgTransposer_getComm xgTransposer_getRank xgTransposer_makeComm xgTransposer_makeXgBlock xgTransposer_reorganizeData xgTransposer_toColsRows xgTransposer_toLinalg xgTransposer_transpose xheev_cplex xheevx_cplex xhegv_cplex xhegvx_cplex xhesv_cplex xieee_halt_ifexc xieee_signal_ifexc xlf_set_sighandler xmoveOff xmpi_abort xmpi_allgather xmpi_allgather.finc xmpi_allgather_char xmpi_allgather_dp1d xmpi_allgather_dp2d xmpi_allgather_dp3d xmpi_allgather_dp4d xmpi_allgather_int xmpi_allgather_int1d xmpi_allgather_int1d_1b xmpi_allgather_int2d xmpi_allgatherv.finc xmpi_allgatherv_coeff2d xmpi_allgatherv_coeff2d_indx xmpi_allgatherv_dp xmpi_allgatherv_dp2d xmpi_allgatherv_dp3d xmpi_allgatherv_dp4d xmpi_allgatherv_dp5d xmpi_allgatherv_dp6d xmpi_allgatherv_int xmpi_allgatherv_int1_dp1 xmpi_allgatherv_int2d xmpi_alltoall xmpi_alltoall.finc xmpi_alltoall_dp2d xmpi_alltoall_dp4d xmpi_alltoall_int xmpi_alltoallv.finc xmpi_alltoallv_dp1d xmpi_alltoallv_dp1d2 xmpi_alltoallv_dp2d xmpi_alltoallv_int2d xmpi_barrier xmpi_bcast.finc xmpi_bcast_ch0d xmpi_bcast_ch1d xmpi_bcast_coeff2_1d xmpi_bcast_coeffi2_1d xmpi_bcast_cplx1d xmpi_bcast_cplx2d xmpi_bcast_cplx3d xmpi_bcast_cplx4d xmpi_bcast_cplxv xmpi_bcast_dc1d xmpi_bcast_dc2d xmpi_bcast_dc3d xmpi_bcast_dc4d xmpi_bcast_dcv xmpi_bcast_dp1d xmpi_bcast_dp2d xmpi_bcast_dp3d xmpi_bcast_dp4d xmpi_bcast_dp5d xmpi_bcast_dp6d xmpi_bcast_dpv xmpi_bcast_int1d xmpi_bcast_int2d xmpi_bcast_int3d xmpi_bcast_int4d xmpi_bcast_intv xmpi_bcast_log0d xmpi_bcast_sp1d xmpi_bcast_sp2d xmpi_bcast_sp3d xmpi_bcast_sp4d xmpi_bcast_spv xmpi_comm_create xmpi_comm_free_0D xmpi_comm_free_1D xmpi_comm_free_2D xmpi_comm_free_3D xmpi_comm_group xmpi_comm_rank xmpi_comm_set_errhandler xmpi_comm_size xmpi_comm_split xmpi_comm_translate_ranks xmpi_distab_4D xmpi_distrib_2d xmpi_distrib_with_replicas xmpi_end xmpi_error_string xmpi_exch.finc xmpi_exch_dp1d xmpi_exch_dp2d xmpi_exch_dp3d xmpi_exch_dp4d_tag xmpi_exch_dp5d_tag xmpi_exch_dpc1d xmpi_exch_dpc2d xmpi_exch_int1d xmpi_exch_int2d xmpi_exch_spc1d xmpi_gather xmpi_gather.finc xmpi_gather_dp xmpi_gather_dp2d xmpi_gather_dp3d xmpi_gather_dp4d xmpi_gather_int xmpi_gather_int2d xmpi_gatherv xmpi_gatherv.finc xmpi_gatherv_dp xmpi_gatherv_dp2d xmpi_gatherv_dp3d xmpi_gatherv_dp4d xmpi_gatherv_dp5d xmpi_gatherv_dp6d xmpi_gatherv_int xmpi_gatherv_int1_dp1 xmpi_gatherv_int2d xmpi_get_unit xmpi_group_free xmpi_group_incl xmpi_group_translate_ranks xmpi_iallgather xmpi_iallgather.finc xmpi_iallgather_dp4d xmpi_ialltoall xmpi_ialltoall.finc xmpi_ialltoall_dp4d xmpi_ialltoallv.finc xmpi_ialltoallv_dp1d2 xmpi_ialltoallv_dp2d xmpi_ialltoallv_int2d xmpi_ibcast xmpi_ibcast.finc xmpi_ibcast_dp1d xmpi_ibcast_dp2d xmpi_ibcast_dp3d xmpi_ibcast_dp4d xmpi_ibcast_int1d xmpi_ibcast_int4d xmpi_init xmpi_iprobe xmpi_irecv xmpi_irecv.finc xmpi_irecv_dp1d xmpi_irecv_dp2d xmpi_irecv_int1d xmpi_irecv_intv xmpi_isend xmpi_isend.finc xmpi_isend_dp1d xmpi_isend_dp2d xmpi_isend_int1d xmpi_isum xmpi_isum.finc xmpi_isum_int0d xmpi_isum_ip_dp2d xmpi_isum_ip_dp4d xmpi_land_log0d xmpi_land_lor.finc xmpi_largetype_create xmpi_largetype_free xmpi_lor_log1d xmpi_lor_log2d xmpi_lor_log3d xmpi_max.finc xmpi_max_dp0d_ip xmpi_max_dpv xmpi_max_int xmpi_max_int0d_i4b xmpi_max_int0d_i8b xmpi_min.finc xmpi_min_dp xmpi_min_dpv xmpi_min_intv xmpi_name xmpi_read_int2d xmpi_recv xmpi_recv.finc xmpi_recv_char xmpi_recv_dp xmpi_recv_dp1d xmpi_recv_dp2d xmpi_recv_dp3d xmpi_recv_dp4d xmpi_recv_int1d xmpi_recv_int2d xmpi_recv_int3d xmpi_recv_intv xmpi_request_free xmpi_scatterv xmpi_scatterv.finc xmpi_scatterv_dp xmpi_scatterv_dp2d xmpi_scatterv_dp3d xmpi_scatterv_dp4d xmpi_scatterv_int xmpi_scatterv_int2d xmpi_send xmpi_send.finc xmpi_send_char xmpi_send_dp xmpi_send_dp1d xmpi_send_dp2d xmpi_send_dp3d xmpi_send_dp4d xmpi_send_int1d xmpi_send_int2d xmpi_send_int3d xmpi_send_intv xmpi_set_inplace_operations xmpi_show_info xmpi_split_block xmpi_split_cyclic xmpi_split_list xmpi_split_work2_i4b xmpi_split_work2_i8b xmpi_split_work_i4b xmpi_subcomm xmpi_sum.finc xmpi_sum_c0dc xmpi_sum_c1cplx xmpi_sum_c1dc xmpi_sum_c2cplx xmpi_sum_c2dc xmpi_sum_c3cplx xmpi_sum_c3dc xmpi_sum_c4cplx xmpi_sum_c4dc xmpi_sum_c5cplx xmpi_sum_c5dc xmpi_sum_c6cplx xmpi_sum_c6dc xmpi_sum_c7dc xmpi_sum_coeff5d1 xmpi_sum_dp xmpi_sum_dp2d xmpi_sum_dp2d2t xmpi_sum_dp2t xmpi_sum_dp3d xmpi_sum_dp3d2t xmpi_sum_dp4d xmpi_sum_dp4d2t xmpi_sum_dp5d xmpi_sum_dp6d xmpi_sum_dp7d xmpi_sum_dpn xmpi_sum_dpv xmpi_sum_dpvt xmpi_sum_int xmpi_sum_int2d xmpi_sum_int2t xmpi_sum_int3d xmpi_sum_int4d xmpi_sum_intn xmpi_sum_intv xmpi_sum_intv2 xmpi_sum_master xmpi_sum_master.finc xmpi_sum_master_c1cplx xmpi_sum_master_c1dpc xmpi_sum_master_c2cplx xmpi_sum_master_c2dpc xmpi_sum_master_c3cplx xmpi_sum_master_c3dpc xmpi_sum_master_c4cplx xmpi_sum_master_c4dpc xmpi_sum_master_c5cplx xmpi_sum_master_c5dpc xmpi_sum_master_dp xmpi_sum_master_dp1d xmpi_sum_master_dp2d xmpi_sum_master_dp3d xmpi_sum_master_dp4d xmpi_sum_master_dp5d xmpi_sum_master_dp6d xmpi_sum_master_dp7d xmpi_sum_master_int xmpi_sum_master_int2d xmpi_sum_master_int4d xmpi_sum_sp2d xmpi_sum_sp3d xmpi_sum_sp4d xmpi_sum_sp5d xmpi_sum_sp6d xmpi_sum_sp7d xmpi_wait xmpi_waitall_1d xmpi_waitall_2d xmpio_check_frmarkers xmpio_create_coldistr_from_fp3blocks xmpio_create_coldistr_from_fpacked xmpio_create_fherm_packed xmpio_create_fstripes xmpio_create_fsubarray_2D xmpio_create_fsubarray_3D xmpio_create_fsubarray_4D xmpio_get_info_frm xmpio_max_address xmpio_read_dp xmpio_read_frm xmpio_read_int xmpio_type_struct xmpio_write_frm xmpio_write_frmarkers xnullifyOff xomp_get_max_threads xomp_get_num_cores_node xomp_get_num_threads xomp_get_thread_num xomp_in_parallel xomp_set_num_threads xomp_show_info xorthonormalize xp12a1 xpapi_flops xpapi_handle_error xpapi_init xpapi_show_info xpapi_shutdown xpaw_mpi_abort xpaw_mpi_allgather_dp1d xpaw_mpi_allgather_dp2d xpaw_mpi_allgather_dp3d xpaw_mpi_allgather_int1d xpaw_mpi_allgatherv_dp1d xpaw_mpi_allgatherv_dp2d xpaw_mpi_allgatherv_int1d xpaw_mpi_alltoall_dp1d xpaw_mpi_alltoall_dp2d xpaw_mpi_alltoall_int1d xpaw_mpi_alltoallv_dp1d xpaw_mpi_alltoallv_dp2d xpaw_mpi_alltoallv_int1d xpaw_mpi_barrier xpaw_mpi_bcast_dp1d xpaw_mpi_bcast_dp2d xpaw_mpi_bcast_dp3d xpaw_mpi_bcast_int xpaw_mpi_bcast_int1d xpaw_mpi_comm_rank xpaw_mpi_comm_size xpaw_mpi_exch_dp1d xpaw_mpi_exch_dp2d xpaw_mpi_exch_dp3d xpaw_mpi_exch_int1d xpaw_mpi_gather_dp1d xpaw_mpi_gather_dp2d xpaw_mpi_gather_int1d xpaw_mpi_gatherv_dp1d xpaw_mpi_gatherv_dp2d xpaw_mpi_gatherv_int1d xpaw_mpi_get_tag_ub xpaw_mpi_iprobe xpaw_mpi_irecv_dp1d xpaw_mpi_irecv_dp2d xpaw_mpi_irecv_int1d xpaw_mpi_isend_dp1d xpaw_mpi_isend_dp2d xpaw_mpi_isend_int1d xpaw_mpi_recv_dp1d xpaw_mpi_recv_dp2d xpaw_mpi_recv_dp3d xpaw_mpi_recv_int1d xpaw_mpi_scatterv_dp1d xpaw_mpi_scatterv_dp2d xpaw_mpi_scatterv_int1d xpaw_mpi_send_dp1d xpaw_mpi_send_dp2d xpaw_mpi_send_dp3d xpaw_mpi_send_int1d xpaw_mpi_sum_dp1d xpaw_mpi_sum_dp2d xpaw_mpi_sum_dp3d xpaw_mpi_sum_int xpaw_mpi_sum_int1d xpaw_mpi_wait xpaw_mpi_waitall xred2xcart xredistribute_mpi_2d_dp xredistribute_mpi_dp

Y

yaml_iterstart yaml_single_dict yaml_write_dict yamldoc_add_dict yamldoc_add_dictlist yamldoc_add_int yamldoc_add_int1d yamldoc_add_int2d yamldoc_add_ints yamldoc_add_paired_real2d yamldoc_add_real yamldoc_add_real1d yamldoc_add_real2d yamldoc_add_reals yamldoc_add_string yamldoc_add_tabular yamldoc_add_tabular_line yamldoc_open yamldoc_open_tabular yamldoc_set_keys_to_string yamldoc_t yamldoc_write_unit_and_free yamldoc_write_units_and_free yesno ylm_cmplx ylmc ylmcd ylmstar_over_qTq ylmstar_wtq_over_qTq ys

Z

zacharias_supercell_make zacharias_supercell_print zero_matlu zero_operwan zero_operwan_realspace zerosym zfermi1 zfermi12 zfermi2 zfermi3 zfermi32 zfermi52 zfermim12 zginv zhpd_invert znucl2symbol zorthonormalize zpad_free zpad_init zpad_t zplan_many_dft

A - B - C - D - E - F - G - H - I - J - K - L - M - N - O - P - Q - R - S - T - U - V - W - X - Y - Z - 0 - 1 - 2 - 3 - 4 - 5 - 6 - 7 - 8 - 9

Generated from ./ with ROBODoc V4.99.43 on Wed Mar 15 2023 09:46:37