This document lists the names (keywords) of all input variables to be used in the main input file of the abinit code.
The new user is advised to read first the new user's guide, before reading the present file. It will be easier to discover the present file with the help of the tutorial.
When the user is sufficiently familiarized with ABINIT, the reading of the ~abinit/doc/users/tuning file might be useful. For response-function calculations using abinit, please read the response function help file
A. accesswff acell algalch amu angdeg atvshift awtr
B. bandpp bdberry bdeigrf bdgw berryopt berrysav berrystep bfield bmass boxcenter boxcutmin brvltt bs_algorithm bs_calctype bs_coulomb_term bs_coupling bs_eh_cutoff bs_exchange_term bs_freq_mesh bs_haydock_niter bs_hayd_term bs_haydock_tol bs_loband bs_nstates builtintest bxctmindg
C. cd_customnimfrqs cd_frqim_method cd_full_grid cd_halfway_freq cd_imfrqs cd_max_freq cd_subset_freq charge chkexit chkgwcomp chkprim chksymbreak cineb_start cmlfile cpus, cpum, cpuh
D. ddamp dfield delayperm densty diecut diegap dielam dielng diemac diemix diemixmag diismemory dilatmx dmatpawu dmatpuopt dmatudiag dmft_dc dmft_iter dmft_mxsf dmft_nwli dmft_nwlo dmft_read_occnd dmft_rslf dmft_solv dmft_tollc dmftbandf dmftbandi dmftcheck dosdeltae dtion dynimage
E. ecut ecuteps ecutsigx ecutsm ecutwfn effmass efield elph2_imagden enunit eshift esmear etsfgroups etsfmain exchn2n3d exchmix
F. fband fermie_nest fftalg fftcache fftgw fft_opt_lob freqim_alpha freqremax freqremin freqspmax freqspmin freqsusin freqsuslo friction frzfermi fxcartfactor f4of2_sla f6of2_sla
G. ga_algor ga_fitness ga_n_rules ga_opt_percent ga_rules genafm getbscoup getbseig getbsreso gethaydock getcell getddk getden getgam_eig2nkq getkss getocc getqps getscr getsuscep getvel getwfk getwfq getxcart getxred get1den get1wf goprecon goprecprm gpu_linalg_limit gwcalctyp gwcomp gwencomp gwgamma gwmem gw_customnfreqsp gw_eet gw_eet_inclvkb gw_eet_nband gw_eet_scale gw_freqsp gw_frqim_inzgrid gw_frqre_inzgrid gw_nqlwl gw_nstep gwpara gw_qlwl gwrpacorr gw_sctype gw_sigxcore gw_toldfeig gw_frqre_tangrid
H.
I. iatcon iatfix iatfixx iatfixy iatfixz iatsph iboxcut icoulomb icutcoul idyson ieig2rf ikhxc inclvkb intexact intxc imgmov ionmov iprcch iprcel iprctfvw iprcfc iqpt irandom irdbscoup irdbseig irdbsreso irdhaydock irdddk irdden ird1den irdqps irdkss irdscr irdsuscep irdwfk irdwfq ird1wf iscf isecur istatimg istatr istatshft istwfk ixc ixcpositron
J. jdtset jellslab jfielddir jpawu
K. kberry kpt kptbounds kptgw kptnrm %kptns kptopt kptrlatt kptrlen kssform
L. ldgapp lexexch localrdwf lpawu
M. macro_uj maxestep maxnsym %mband mdf_epsinf mdtemp mdwall mep_mxstep mep_solver mffmem %mgfft %mgfftdg mixalch mkmem mkqmem mk1mem %mpw mqgrid mqgriddg
N. natcon natfix natfixx natfixy natfixz natom %natpawu natrd natsph natvshift nband nbandkss nbandsus nbdblock nbdbuf nberry nconeq nctime ndivk ndivsm ndtset ndyson %ndynimage neb_algo neb_spring %nelect %nfft %nfftdg nfreqim nfreqre nfreqsp nfreqsus ngfft ngfftdg ngkpt ngqpt nimage nkpt nkptgw nline nloalg nnos nnsclo nobj nomegasf nomegasi nomegasrd normpawu noseinert npband np_slk npfft npimage npkpt nppert npsp %npspalch npspinor npulayit npweps npwkss npwsigx npwwfn nqpt nqptdm nscforder nsheps nshiftk nshiftq nshsigx nshwfn nspden nspinor nsppol nstep nsym ntime ntimimage ntypalch ntypat %ntyppure nwfshist
O. objaat, objbat objaax, objbax objan, objbn objarf, objbrf objaro, objbro objatr, objbtr occ occopt omegasimax omegasrdmax optcell optdriver optforces optfreqsus optnlxccc optstress ortalg
P. papiopt paral_atom paral_kgb paral_rf pawcpxocc pawcross pawecutdg pawfatbnd pawlcutd pawlmix pawmixdg pawnhatxc pawnphi pawntheta pawnzlm pawovlp pawoptmix pawprtden pawprtdos pawprtvol pawprtwf pawprt_b pawprt_k pawspnorb pawstgylm pawsushat pawujat pawujrad pawujv pawusecp pawxcdev pimass pitransform polcen positron posnstep posocc postoldfe postoldff ppmfrq ppmodel prepanl prepgkk prepscphon prtatlist prtbbb prtbltztrp prtcif prtcml prtcs prtden prtdensph prtdipole prtdos prtdosm prtefg prteig prtelf prtfc prtfsurf prtgden prtgeo prtgkk prtkden prtkpt prtlden prtnabla prtnest prtposcar prtpot prtspcur prtstm prtsuscep prtvha prtvhxc prtvol prtvolimg prtvxc prtwant prtwf prtxml prt1dm ptcharge %ptgroupma
Q. qmass qprtrb qpt qptdm %qptn qptnrm qptopt qptrlatt quadmom
R. random_atpos ratsph recefermi recgratio recnpath recnrec recptrott recrcut rectesteg rectolden red_dfield red_efield red_efieldbar restartxf rfasr rfatpol rfddk rfdir rfelfd rfmeth rfphon rfstrs rfuser rf1atpol rf1dir rf1elfd rf1phon rf2atpol rf2dir rf2elfd rf2phon rf3atpol rf3dir rf3elfd rf3phon rhoqpmix rprim %rprimd
S. scalecart sciss scphon_temp scphon_supercell shiftk shiftq signperm slabwsrad slabzbeg slabzend smdelta soenergy so_psp spbroad spgaxor spgorig spgroup spgroupma spinmagntarget spmeth spnorbscl spinat stmbias strfact string_algo strprecon strtarget suskxcrs symafm symchi symrel symmorphi symsigma
T. td_maxene td_mexcit tfkinfunc timopt tl_nprccg tl_radius tnons toldfe toldff tolimg tolmxf tolrde tolrff tolsym tolvrs tolwfr tphysel tsmear typat
U. ucrpa ucrpa_bands udtset upawu use_gpu_cuda use_slk usedmatpu usedmft useexexch usekden %usepaw usepawu userec useria, userib, useric, userid, userie userra, userrb, userrc, userrd, userre usewvl usexcnhat useylm
V. vaclst vacnum vacuum vacwidth vcutgeo vel vel_cell vis vdw_supercell vdw_nfrag vdw_tol vdw_typfrag vdw_xc vprtrb
W. wfoptalg wtatcon wtk wvl_crmult wvl_frmult wvl_hgrid wvl_nprccg w90iniprj w90prtunk
X. xangst xcart %xclevel xc_denpos xc_tb09_c xred xyzfile
Y.
Z. zcut zeemanfield %ziontypat znucl
Variables level S
natom
znucl
acell
typat
ecut
ntypat
nstep
nband
kptopt
xred
rprim
iscf
ndtset
occopt
diemac
nkpt
ngkpt
shiftk
tolwfr
nshiftk
nsym
ixc
kpt
getwfk
toldfe
prtden
nline
wtk
enunit
tsmear
tolvrs
diemix
rfdir
symrel
prtvol
optforces
istwfk
nbdbuf
tnons
nsppol
intxc
getden
nqpt
ntime
xcart
qpt
ionmov
rfatpol
occ
rfphon
Variables level P
prtwf
toldff
ecutsm
pawecutdg
kptnrm
spinat
tolmxf
prteig
optdriver
dilatmx
paral_kgb
timopt
ecutwfn
amu
ngfft
irdwfk
optcell
rfelfd
getkss
angdeg
berryopt
kptrlatt
nbandkss
kssform
kptgw
bdgw
nkptgw
chksymbreak
ecutsigx
getscr
nspden
jdtset
ngqpt
natrd
awtr
getddk
mkmem
npband
npfft
nspinor
Variables level D
inclvkb
ecuteps
npkpt
udtset
chkprim
spgroup
brvltt
iprcch
iprcel
prtdos
gwcalctyp
xangst
optstress
usepawu
lpawu
ppmfrq
icoulomb
npweps
densty
getwfq
gwpara
efield
localrdwf
dtion
spgroupma
npsp
mffmem
rfstrs
wvl_hgrid
npwsigx
nnsclo
usewvl
symchi
so_psp
dmatpuopt
diecut
upawu
bandpp
jpawu
Variables level F
accesswff
symmorphi
wvl_nprccg
kptrlen
mdtemp
iatfix
nscforder
natfix
prtkpt
ortalg
symsigma
ppmodel
ngfftdg
nwfshist
zcut
nfreqim
pawprtvol
usekden
pawmixdg
fftalg
istatr
get1wf
wvl_frmult
prtwant
wvl_crmult
rf3elfd
rf2dir
ieig2rf
rf1dir
dielam
rf1phon
bdberry
nfreqre
diegap
rf2elfd
kberry
ddamp
rf1atpol
rf1elfd
dmatpawu
usedmatpu
rf3dir
nimage
getxcart