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!
! Copyright (C) 2002-2011 Quantum ESPRESSO group
! This file is distributed under the terms of the
! GNU General Public License. See the file `License'
! in the root directory of the present distribution,
! or http://www.gnu.org/copyleft/gpl.txt .
!
!=----------------------------------------------------------------------------=!
MODULE wavefunctions_module
!=----------------------------------------------------------------------------=!
USE kinds, ONLY : DP
IMPLICIT NONE
SAVE
!
COMPLEX(DP), ALLOCATABLE, TARGET :: &
evc(:,:) ! wavefunctions in the PW basis set
! noncolinear case: first index
! is a combined PW + spin index
!
COMPLEX(DP) , ALLOCATABLE, TARGET :: &
psic(:), & ! additional memory for FFT
psic_nc(:,:) ! as above for the noncolinear case
!
!
! electronic wave functions, CPV code
! distributed over gvector and bands
!
COMPLEX(DP), ALLOCATABLE :: c0_bgrp(:,:) ! wave functions at time t
COMPLEX(DP), ALLOCATABLE :: cm_bgrp(:,:) ! wave functions at time t-delta t
COMPLEX(DP), ALLOCATABLE :: phi_bgrp(:,:) ! |phi> = s'|c0> = |c0> + sum q_ij |i><j|c0>
! for hybrid functionals in CP with Wannier functions
COMPLEX(DP), ALLOCATABLE :: cv0(:,:) ! Lingzhu Kong
CONTAINS
SUBROUTINE deallocate_wavefunctions
IF( ALLOCATED( cv0) ) DEALLOCATE( cv0) ! Lingzhu Kong
IF( ALLOCATED( c0_bgrp ) ) DEALLOCATE( c0_bgrp )
IF( ALLOCATED( cm_bgrp ) ) DEALLOCATE( cm_bgrp )
IF( ALLOCATED( phi_bgrp ) ) DEALLOCATE( phi_bgrp )
IF( ALLOCATED( psic_nc ) ) DEALLOCATE( psic_nc )
IF( ALLOCATED( psic ) ) DEALLOCATE( psic )
IF( ALLOCATED( evc ) ) DEALLOCATE( evc )
END SUBROUTINE deallocate_wavefunctions
!=----------------------------------------------------------------------------=!
END MODULE wavefunctions_module
!=----------------------------------------------------------------------------=!
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