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ABINIT/14wfs [ Directories ]
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NAME
14wfs
DESCRIPTION
This directory contains level-4 routines used to treat wavefunctions. The main entry points to this library are the routines : - getghc.F90 : apply the Hamiltonian to one wavefunction, use the routines in 53_ffts and 65_nonlocal - projbd.F90 and orthon.F90 : project and orthonormalize the wavefunctions - wfconv.F90 : convert one wavefunction with some parameters to another wavefunction with some other parameters (like PW sphere, spin or spinor characteristics
COPYRIGHT
Copyright (C) 1998-2024 ABINIT group (TD) This file is distributed under the terms of the GNU General Public License, see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt . For the initials of contributors, see ~abinit/doc/developers/contributors.txt .
CHILDREN
interfaces_66_wfs.F90 m_bandfft_kpt.F90 m_cgcprj.F90 m_chebfi.F90 m_esymm.F90 m_fock_getghc.F90 m_getgh1c.F90 m_getgh2c.F90 m_getghc.F90 m_invovl.F90 m_prep_kgb.F90 m_rayleigh_ritz.F90