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GIPAW should not depend on PH! I've just borrowed few routines. 

That was the origin of a lot of troubles. The routines in PH
use the PHCOM module, which was vastly *uninitialized*! We
should instead use the GIPAW_MODULE module. Please, do not tie us
again with PHONON! (D.C.)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3858 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
ceresoli 2007-03-19 09:38:11 +00:00
parent d6d7d3e10d
commit d87452fcbc
7 changed files with 422 additions and 223 deletions
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14
GIPAW/Makefile
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@ -9,10 +9,12 @@ stop_code.o \
apply_p.o \
apply_vel.o \
greenfunction.o \
h_psiq2.o \
h_psiq.o \
cg_psi.o \
cgsolve_all.o \
sym_cart_tensor.o \
symmetrize_field.o \
ch_psi_all2.o \
ch_psi_all.o \
test_sum_rule.o \
compute_u_kq.o \
suscept_crystal.o \
@ -89,15 +91,13 @@ MODULES = \
PWOBJS = ../PW/libpw.a
PHOBJS = ../PH/libph.a
TLDEPS=bindir ph pw mods libs libiotk
TLDEPS=bindir pw mods libs libiotk
all : tldeps gipaw.x
gipaw.x : $(GIPAWOBJS) $(PWOBJS) $(PHOBJS) $(LIBOBJS)
gipaw.x : $(GIPAWOBJS) $(PWOBJS) $(LIBOBJS)
$(MPIF90) $(LDFLAGS) -o $@ \
$(GIPAWOBJS) $(MODULES) $(PHOBJS) $(PWOBJS) $(LIBOBJS) $(LIBS)
$(GIPAWOBJS) $(MODULES) $(PWOBJS) $(LIBOBJS) $(LIBS)
- ( cd ../bin; ln -fs ../GIPAW/$@ . )
tldeps:

41
GIPAW/cg_psi.f90 Normal file
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@ -0,0 +1,41 @@
!
! Copyright (C) 2001 PWSCF 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 .
!
!
!-----------------------------------------------------------------
subroutine cg_psi (lda, n, m, psi, h_diag)
!-----------------------------------------------------------------
!
! This routine gives a preconditioning to the linear system solver.
! The preconditioning is diagonal in reciprocal space
!
!
USE kinds, only : DP
implicit none
integer :: lda, n, m
! input: the leading dimension of the psi vector
! input: the real dimension of the vector
! input: the number of vectors
complex(DP) :: psi (lda, m)
! inp/out: the vector to be preconditioned
real(DP) :: h_diag (lda, m)
! input: the preconditioning vector
integer :: k, i
! counter on bands
! counter on the elements of the vector
!
do k = 1, m
do i = 1, n
psi (i, k) = psi (i, k) * h_diag (i, k)
enddo
enddo
return
end subroutine cg_psi

238
GIPAW/cgsolve_all.f90 Normal file
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@ -0,0 +1,238 @@
!
! Copyright (C) 2001-2004 PWSCF 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 .
!
!
#include "f_defs.h"
!----------------------------------------------------------------------
subroutine cgsolve_all (h_psi, cg_psi, e, d0psi, dpsi, h_diag, &
ndmx, ndim, ethr, ik, kter, conv_root, anorm, nbnd)
!----------------------------------------------------------------------
!
! iterative solution of the linear system:
!
! ( h - e + Q ) * dpsi = d0psi (1)
!
! where h is a complex hermitean matrix, e is a real sca
! dpsi and d0psi are complex vectors
!
! on input:
! h_psi EXTERNAL name of a subroutine:
! h_psi(ndim,psi,psip)
! Calculates H*psi products.
! Vectors psi and psip should be dimensined
! (ndmx,nvec). nvec=1 is used!
!
! cg_psi EXTERNAL name of a subroutine:
! g_psi(ndmx,ndim,notcnv,psi,e)
! which calculates (h-e)^-1 * psi, with
! some approximation, e.g. (diag(h)-e)
!
! e real unperturbed eigenvalue.
!
! dpsi contains an estimate of the solution
! vector.
!
! d0psi contains the right hand side vector
! of the system.
!
! ndmx integer row dimension of dpsi, ecc.
!
! ndim integer actual row dimension of dpsi
!
! ethr real convergence threshold. solution
! improvement is stopped when the error in
! eq (1), defined as l.h.s. - r.h.s., becomes
! less than ethr in norm.
!
! on output: dpsi contains the refined estimate of the
! solution vector.
!
! d0psi is corrupted on exit
!
! revised (extensively) 6 Apr 1997 by A. Dal Corso & F. Mauri
! revised (to reduce memory) 29 May 2004 by S. de Gironcoli
!
#include "f_defs.h"
USE kinds, only : DP
implicit none
!
! first the I/O variables
!
integer :: ndmx, & ! input: the maximum dimension of the vectors
ndim, & ! input: the actual dimension of the vectors
kter, & ! output: counter on iterations
nbnd, & ! input: the number of bands
ik ! input: the k point
real(DP) :: &
e(nbnd), & ! input: the actual eigenvalue
anorm, & ! output: the norm of the error in the solution
h_diag(ndmx,nbnd), & ! input: an estimate of ( H - \epsilon )
ethr ! input: the required precision
complex(DP) :: &
dpsi (ndmx, nbnd), & ! output: the solution of the linear syst
d0psi (ndmx, nbnd) ! input: the known term
logical :: conv_root ! output: if true the root is converged
external h_psi, & ! input: the routine computing h_psi
cg_psi ! input: the routine computing cg_psi
!
! here the local variables
!
integer, parameter :: maxter = 200
! the maximum number of iterations
integer :: iter, ibnd, lbnd
! counters on iteration, bands
integer , allocatable :: conv (:)
! if 1 the root is converged
complex(DP), allocatable :: g (:,:), t (:,:), h (:,:), hold (:,:)
! the gradient of psi
! the preconditioned gradient
! the delta gradient
! the conjugate gradient
! work space
complex(DP) :: dcgamma, dclambda, ZDOTC
! the ratio between rho
! step length
! the scalar product
real(DP), allocatable :: rho (:), rhoold (:), eu (:), a(:), c(:)
! the residue
! auxiliary for h_diag
real(DP) :: kter_eff
! account the number of iterations with b
! coefficient of quadratic form
!
call start_clock ('cgsolve')
allocate ( g(ndmx,nbnd), t(ndmx,nbnd), h(ndmx,nbnd), hold(ndmx ,nbnd) )
allocate (a(nbnd), c(nbnd))
allocate (conv ( nbnd))
allocate (rho(nbnd),rhoold(nbnd))
allocate (eu ( nbnd))
! WRITE( stdout,*) g,t,h,hold
kter_eff = 0.d0
do ibnd = 1, nbnd
conv (ibnd) = 0
enddo
do iter = 1, maxter
!
! compute the gradient. can reuse information from previous step
!
if (iter == 1) then
call h_psi (ndim, dpsi, g, e, ik, nbnd)
do ibnd = 1, nbnd
call ZAXPY (ndim, (-1.d0,0.d0), d0psi(1,ibnd), 1, g(1,ibnd), 1)
enddo
endif
!
! compute preconditioned residual vector and convergence check
!
lbnd = 0
do ibnd = 1, nbnd
if (conv (ibnd) .eq.0) then
lbnd = lbnd+1
call ZCOPY (ndim, g (1, ibnd), 1, h (1, ibnd), 1)
call cg_psi(ndmx, ndim, 1, h(1,ibnd), h_diag(1,ibnd) )
rho(lbnd) = ZDOTC (ndim, h(1,ibnd), 1, g(1,ibnd), 1)
endif
enddo
kter_eff = kter_eff + DBLE (lbnd) / DBLE (nbnd)
#ifdef __PARA
call reduce (lbnd, rho )
#endif
do ibnd = nbnd, 1, -1
if (conv(ibnd).eq.0) then
rho(ibnd)=rho(lbnd)
lbnd = lbnd -1
anorm = sqrt (rho (ibnd) )
if (anorm.lt.ethr) conv (ibnd) = 1
endif
enddo
!
conv_root = .true.
do ibnd = 1, nbnd
conv_root = conv_root.and. (conv (ibnd) .eq.1)
enddo
if (conv_root) goto 100
!
! compute the step direction h. Conjugate it to previous step
!
lbnd = 0
do ibnd = 1, nbnd
if (conv (ibnd) .eq.0) then
!
! change sign to h
!
call DSCAL (2 * ndim, - 1.d0, h (1, ibnd), 1)
if (iter.ne.1) then
dcgamma = rho (ibnd) / rhoold (ibnd)
call ZAXPY (ndim, dcgamma, hold (1, ibnd), 1, h (1, ibnd), 1)
endif
!
! here hold is used as auxiliary vector in order to efficiently compute t = A*h
! it is later set to the current (becoming old) value of h
!
lbnd = lbnd+1
call ZCOPY (ndim, h (1, ibnd), 1, hold (1, lbnd), 1)
eu (lbnd) = e (ibnd)
endif
enddo
!
! compute t = A*h
!
call h_psi (ndim, hold, t, eu, ik, lbnd)
!
! compute the coefficients a and c for the line minimization
! compute step length lambda
lbnd=0
do ibnd = 1, nbnd
if (conv (ibnd) .eq.0) then
lbnd=lbnd+1
a(lbnd) = ZDOTC (ndim, h(1,ibnd), 1, g(1,ibnd), 1)
c(lbnd) = ZDOTC (ndim, h(1,ibnd), 1, t(1,lbnd), 1)
end if
end do
#ifdef __PARA
call reduce (lbnd, a)
call reduce (lbnd, c)
#endif
lbnd=0
do ibnd = 1, nbnd
if (conv (ibnd) .eq.0) then
lbnd=lbnd+1
dclambda = CMPLX ( - a(lbnd) / c(lbnd), 0.d0)
!
! move to new position
!
call ZAXPY (ndim, dclambda, h(1,ibnd), 1, dpsi(1,ibnd), 1)
!
! update to get the gradient
!
!g=g+lam
call ZAXPY (ndim, dclambda, t(1,lbnd), 1, g(1,ibnd), 1)
!
! save current (now old) h and rho for later use
!
call ZCOPY (ndim, h(1,ibnd), 1, hold(1,ibnd), 1)
rhoold (ibnd) = rho (ibnd)
endif
enddo
enddo
100 continue
kter = kter_eff
deallocate (eu)
deallocate (rho, rhoold)
deallocate (conv)
deallocate (a,c)
deallocate (g, t, h, hold)
call stop_clock ('cgsolve')
return
end subroutine cgsolve_all

66
GIPAW/ch_psi_all2.f90 → GIPAW/ch_psi_all.f90
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@ -7,7 +7,7 @@
!
!-----------------------------------------------------------------------
subroutine ch_psi_all2 (n, h, ah, e, ik, m)
subroutine ch_psi_all (n, h, ah, e, ik, m)
!-----------------------------------------------------------------------
!
! This routine applies the operator ( H - \epsilon S + alpha_pv P_v)
@ -15,11 +15,10 @@ subroutine ch_psi_all2 (n, h, ah, e, ik, m)
!
#include "f_defs.h"
use pwcom
use becmod
USE noncollin_module, ONLY : noncolin, npol
USE pwcom
USE becmod
USE kinds, only : DP
use phcom
USE gipaw_module
implicit none
integer :: n, m, ik
@ -30,7 +29,7 @@ subroutine ch_psi_all2 (n, h, ah, e, ik, m)
real(DP) :: e (m)
! input: the eigenvalue
complex(DP) :: h (npwx*npol, m), ah (npwx*npol, m)
complex(DP) :: h (npwx, m), ah (npwx, m)
! input: the vector
! output: the operator applied to the vector
!
@ -48,81 +47,56 @@ subroutine ch_psi_all2 (n, h, ah, e, ik, m)
call start_clock ('ch_psi')
allocate (ps ( nbnd , m))
allocate (hpsi( npwx*npol , m))
allocate (spsi( npwx*npol , m))
allocate (hpsi( npwx , m))
allocate (spsi( npwx , m))
hpsi (:,:) = (0.d0, 0.d0)
spsi (:,:) = (0.d0, 0.d0)
!
! compute the product of the hamiltonian with the h vector
!
call h_psiq2 (npwx, n, m, h, hpsi, spsi)
call h_psiq (npwx, n, m, h, hpsi, spsi)
call start_clock ('last')
!
! then we compute the operator H-epsilon S
!
ah=(0.d0,0.d0)
do ibnd = 1, m
do ig = 1, n
ah (ig, ibnd) = hpsi (ig, ibnd) - e (ibnd) * spsi (ig, ibnd)
enddo
enddo
IF (noncolin) THEN
do ibnd = 1, m
do ig = 1, n
ah (ig+npwx,ibnd)=hpsi(ig+npwx,ibnd)-e(ibnd)*spsi(ig+npwx,ibnd)
end do
end do
END IF
!
! Here we compute the projector in the valence band
!
ikq = ik
!!!if (lgamma) then
ikq = ik
!!!else
!!! ikq = 2 * ik
!!!endif
ps (:,:) = (0.d0, 0.d0)
IF (noncolin) THEN
call ZGEMM ('C', 'N', nbnd_occ (ikq) , m, npwx*npol, (1.d0, 0.d0) , evq, &
npwx*npol, spsi, npwx*npol, (0.d0, 0.d0) , ps, nbnd)
ELSE
call ZGEMM ('C', 'N', nbnd_occ (ikq) , m, n, (1.d0, 0.d0) , evq, &
call ZGEMM ('C', 'N', nbnd_occ (ikq) , m, n, (1.d0, 0.d0) , evq, &
npwx, spsi, npwx, (0.d0, 0.d0) , ps, nbnd)
ENDIF
ps (:,:) = ps(:,:) * alpha_pv
#ifdef __PARA
call reduce (2 * nbnd * m, ps)
#endif
hpsi (:,:) = (0.d0, 0.d0)
IF (noncolin) THEN
call ZGEMM ('N', 'N', npwx*npol, m, nbnd_occ (ikq) , (1.d0, 0.d0) , evq, &
npwx*npol, ps, nbnd, (1.d0, 0.d0) , hpsi, npwx*npol)
ELSE
call ZGEMM ('N', 'N', n, m, nbnd_occ (ikq) , (1.d0, 0.d0) , evq, &
npwx, ps, nbnd, (1.d0, 0.d0) , hpsi, npwx)
END IF
call ZGEMM ('N', 'N', n, m, nbnd_occ (ikq) , (1.d0, 0.d0) , evq, &
npwx, ps, nbnd, (1.d0, 0.d0) , hpsi, npwx)
spsi(:,:) = hpsi(:,:)
!
! And apply S again
!
IF (noncolin) THEN
call ccalbec_nc (nkb, npwx, n, npol, m, becp_nc, vkb, hpsi)
call s_psi_nc (npwx, n, m, hpsi, spsi)
ELSE
call ccalbec (nkb, npwx, n, m, becp, vkb, hpsi)
call s_psi (npwx, n, m, hpsi, spsi)
END IF
call ccalbec (nkb, npwx, n, m, becp, vkb, hpsi)
call s_psi (npwx, n, m, hpsi, spsi)
do ibnd = 1, m
do ig = 1, n
ah (ig, ibnd) = ah (ig, ibnd) + spsi (ig, ibnd)
enddo
enddo
IF (noncolin) THEN
do ibnd = 1, m
do ig = 1, n
ah (ig+npwx, ibnd) = ah (ig+npwx, ibnd) + spsi (ig+npwx, ibnd)
enddo
enddo
END IF
deallocate (spsi)
deallocate (hpsi)
@ -130,4 +104,4 @@ subroutine ch_psi_all2 (n, h, ah, e, ik, m)
call stop_clock ('last')
call stop_clock ('ch_psi')
return
end subroutine ch_psi_all2
end subroutine ch_psi_all

102
GIPAW/h_psiq.f90 Normal file
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@ -0,0 +1,102 @@
!
! Copyright (C) 2001 PWSCF 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 .
!
!
!-----------------------------------------------------------------------
subroutine h_psiq (lda, n, m, psi, hpsi, spsi)
!-----------------------------------------------------------------------
!
! This routine computes the product of the Hamiltonian
! and of the S matrix with a m wavefunctions contained
! in psi. It first computes the bec matrix of these
! wavefunctions and then with the routines hus_1psi and
! s_psi computes for each band the required products
!
use pwcom
USE wavefunctions_module, ONLY: psic
USE becmod, ONLY: becp
USE kinds, only : DP
use gipaw_module
implicit none
!
! Here the local variables
!
integer :: ibnd
! counter on bands
integer :: lda, n, m
! input: the leading dimension of the array psi
! input: the real dimension of psi
! input: the number of psi to compute
integer :: j
! do loop index
complex(DP) :: psi (lda, m), hpsi (lda, m), spsi (lda, m)
! input: the functions where to apply H and S
! output: H times psi
! output: S times psi (Us PP's only)
call start_clock ('h_psiq')
call start_clock ('init')
call ccalbec (nkb, npwx, n, m, becp, vkb, psi)
!
! Here we apply the kinetic energy (k+G)^2 psi
!
do ibnd = 1, m
do j = 1, n
hpsi (j, ibnd) = g2kin (j) * psi (j, ibnd)
enddo
enddo
call stop_clock ('init')
!
! the local potential V_Loc psi. First the psi in real space
!
do ibnd = 1, m
call start_clock ('firstfft')
psic(:) = (0.d0, 0.d0)
!do j = 1, n
! psic (nls(igk(j))) = psi (j, ibnd)
!enddo
psic (nls(igk(1:n))) = psi(1:n, ibnd)
call cft3s (psic, nr1s, nr2s, nr3s, nrx1s, nrx2s, nrx3s, 2)
call stop_clock ('firstfft')
!
! and then the product with the potential vrs = (vltot+vr) on the smoo
!
!do j = 1, nrxxs
! psic (j) = psic (j) * vrs (j, current_spin)
!enddo
psic (1:nrxxs) = psic (1:nrxxs) * vrs (1:nrxxs, current_spin)
!
! back to reciprocal space
!
call start_clock ('secondfft')
call cft3s (psic, nr1s, nr2s, nr3s, nrx1s, nrx2s, nrx3s, - 2)
!
! addition to the total product
!
!do j = 1, n
! hpsi (j, ibnd) = hpsi (j, ibnd) + psic (nls(igk(j)))
!enddo
hpsi (1:n, ibnd) = hpsi (1:n, ibnd) + psic (nls(igk(1:n)))
call stop_clock ('secondfft')
enddo
!
! Here the product with the non local potential V_NL psi
!
call add_vuspsi (lda, n, m, psi, hpsi)
call s_psi (lda, n, m, psi, spsi)
call stop_clock ('h_psiq')
return
end subroutine h_psiq

157
GIPAW/h_psiq2.f90
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@ -1,157 +0,0 @@
!
! Copyright (C) 2001 PWSCF 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 .
!
!
!-----------------------------------------------------------------------
subroutine h_psiq2 (lda, n, m, psi, hpsi, spsi)
!-----------------------------------------------------------------------
!
! This routine computes the product of the Hamiltonian
! and of the S matrix with a m wavefunctions contained
! in psi. It first computes the bec matrix of these
! wavefunctions and then with the routines hus_1psi and
! s_psi computes for each band the required products
!
use pwcom
USE wavefunctions_module, ONLY: psic, psic_nc
USE becmod, ONLY: becp, becp_nc
USE noncollin_module, ONLY : noncolin, npol
USE kinds, only : DP
use phcom
implicit none
!
! Here the local variables
!
integer :: ibnd
! counter on bands
integer :: lda, n, m
! input: the leading dimension of the array psi
! input: the real dimension of psi
! input: the number of psi to compute
integer :: j
! do loop index
complex(DP) :: psi (lda*npol, m), hpsi (lda*npol, m), spsi (lda*npol, m)
complex(DP) :: sup, sdwn
! input: the functions where to apply H and S
! output: H times psi
! output: S times psi (Us PP's only)
call start_clock ('h_psiq')
call start_clock ('init')
IF (noncolin) THEN
call ccalbec_nc (nkb, npwx, n, npol, m, becp_nc, vkb, psi)
ELSE
call ccalbec (nkb, npwx, n, m, becp, vkb, psi)
END IF
!
! Here we apply the kinetic energy (k+G)^2 psi
!
hpsi=(0.d0,0.d0)
do ibnd = 1, m
do j = 1, n
hpsi (j, ibnd) = g2kin (j) * psi (j, ibnd)
enddo
enddo
IF (noncolin) THEN
DO ibnd = 1, m
DO j = 1, n
hpsi (j+lda, ibnd) = g2kin (j) * psi (j+lda, ibnd)
ENDDO
ENDDO
ENDIF
call stop_clock ('init')
!
! the local potential V_Loc psi. First the psi in real space
!
do ibnd = 1, m
call start_clock ('firstfft')
IF (noncolin) THEN
psic_nc = (0.d0, 0.d0)
do j = 1, n
psic_nc(nls(igk(j)),1) = psi (j, ibnd)
psic_nc(nls(igk(j)),2) = psi (j+lda, ibnd)
enddo
call cft3s (psic_nc(1,1), nr1s, nr2s, nr3s, nrx1s, nrx2s, nrx3s, 2)
call cft3s (psic_nc(1,2), nr1s, nr2s, nr3s, nrx1s, nrx2s, nrx3s, 2)
ELSE
psic(:) = (0.d0, 0.d0)
do j = 1, n
psic (nls(igk(j))) = psi (j, ibnd)
enddo
call cft3s (psic, nr1s, nr2s, nr3s, nrx1s, nrx2s, nrx3s, 2)
END IF
call stop_clock ('firstfft')
!
! and then the product with the potential vrs = (vltot+vr) on the smoo
!
if (noncolin) then
if (domag) then
do j=1, nrxxs
sup = psic_nc(j,1) * (vrs(j,1)+vrs(j,4)) + &
psic_nc(j,2) * (vrs(j,2)-(0.d0,1.d0)*vrs(j,3))
sdwn = psic_nc(j,2) * (vrs(j,1)-vrs(j,4)) + &
psic_nc(j,1) * (vrs(j,2)+(0.d0,1.d0)*vrs(j,3))
psic_nc(j,1)=sup
psic_nc(j,2)=sdwn
end do
else
do j=1, nrxxs
psic_nc(j,1)=psic_nc(j,1) * vrs(j,1)
psic_nc(j,2)=psic_nc(j,2) * vrs(j,1)
enddo
endif
else
do j = 1, nrxxs
psic (j) = psic (j) * vrs (j, current_spin)
enddo
endif
!
! back to reciprocal space
!
call start_clock ('secondfft')
IF (noncolin) THEN
call cft3s(psic_nc(1,1),nr1s,nr2s,nr3s,nrx1s,nrx2s,nrx3s,-2)
call cft3s(psic_nc(1,2),nr1s,nr2s,nr3s,nrx1s,nrx2s,nrx3s,-2)
!
! addition to the total product
!
do j = 1, n
hpsi (j, ibnd) = hpsi (j, ibnd) + psic_nc (nls(igk(j)), 1)
hpsi (j+lda, ibnd) = hpsi (j+lda, ibnd) + psic_nc (nls(igk(j)), 2)
enddo
ELSE
call cft3s (psic, nr1s, nr2s, nr3s, nrx1s, nrx2s, nrx3s, - 2)
!
! addition to the total product
!
do j = 1, n
hpsi (j, ibnd) = hpsi (j, ibnd) + psic (nls(igk(j)))
enddo
END IF
call stop_clock ('secondfft')
enddo
!
! Here the product with the non local potential V_NL psi
!
IF (noncolin) THEN
call add_vuspsi_nc (lda, n, m, psi, hpsi)
call s_psi_nc (lda, n, m, psi, spsi)
ELSE
call add_vuspsi (lda, n, m, psi, hpsi)
call s_psi (lda, n, m, psi, spsi)
END IF
call stop_clock ('h_psiq')
return
end subroutine h_psiq2

27
GIPAW/make.depend
View File

@ -10,11 +10,12 @@ biot_savart.o : ../Modules/constants.o
biot_savart.o : ../Modules/kind.o
biot_savart.o : ../PW/pwcom.o
biot_savart.o : gipaw_module.o
ch_psi_all2.o : ../Modules/kind.o
ch_psi_all2.o : ../PH/phcom.o
ch_psi_all2.o : ../PW/becmod.o
ch_psi_all2.o : ../PW/noncol.o
ch_psi_all2.o : ../PW/pwcom.o
cg_psi.o : ../Modules/kind.o
cgsolve_all.o : ../Modules/kind.o
ch_psi_all.o : ../Modules/kind.o
ch_psi_all.o : ../PW/becmod.o
ch_psi_all.o : ../PW/pwcom.o
ch_psi_all.o : gipaw_module.o
compute_sigma.o : ../Modules/io_global.o
compute_sigma.o : ../Modules/ions_base.o
compute_sigma.o : ../Modules/kind.o
@ -75,9 +76,9 @@ gipaw_module.o : ../Modules/mp.o
gipaw_module.o : ../Modules/parameters.o
gipaw_module.o : ../Modules/splinelib.o
gipaw_module.o : ../Modules/uspp.o
gipaw_module.o : ../PW/becmod.o
gipaw_module.o : ../PW/paw.o
gipaw_module.o : ../PW/pwcom.o
greenfunction.o : ../Modules/io_files.o
greenfunction.o : ../Modules/io_global.o
greenfunction.o : ../Modules/kind.o
greenfunction.o : ../Modules/wavefunctions.o
@ -85,12 +86,11 @@ greenfunction.o : ../PW/becmod.o
greenfunction.o : ../PW/noncol.o
greenfunction.o : ../PW/pwcom.o
greenfunction.o : gipaw_module.o
h_psiq2.o : ../Modules/kind.o
h_psiq2.o : ../Modules/wavefunctions.o
h_psiq2.o : ../PH/phcom.o
h_psiq2.o : ../PW/becmod.o
h_psiq2.o : ../PW/noncol.o
h_psiq2.o : ../PW/pwcom.o
h_psiq.o : ../Modules/kind.o
h_psiq.o : ../Modules/wavefunctions.o
h_psiq.o : ../PW/becmod.o
h_psiq.o : ../PW/pwcom.o
h_psiq.o : gipaw_module.o
init_paw_2_no_phase.o : ../Modules/cell_base.o
init_paw_2_no_phase.o : ../Modules/constants.o
init_paw_2_no_phase.o : ../Modules/ions_base.o
@ -147,7 +147,8 @@ write_tensor_field.o : ../Modules/mp_global.o
write_tensor_field.o : ../PW/pwcom.o
write_tensor_field.o : gipaw_module.o
apply_vel.o : ../include/f_defs.h
ch_psi_all2.o : ../include/f_defs.h
cgsolve_all.o : ../include/f_defs.h
ch_psi_all.o : ../include/f_defs.h
compute_u_kq.o : ../include/f_defs.h
efg.o : ../include/f_defs.h
g_tensor_crystal.o : ../include/f_defs.h