Commit 94a7c9d5 authored by Marco Govoni's avatar Marco Govoni
Browse files

Removed variable igq_l2g from module. Made local to every workspace.

parent 6dd55121
...@@ -18,7 +18,7 @@ SUBROUTINE dfpt (m,dvg,dng,tr2) ...@@ -18,7 +18,7 @@ SUBROUTINE dfpt (m,dvg,dng,tr2)
USE io_global, ONLY : stdout USE io_global, ONLY : stdout
USE wvfct, ONLY : nbnd,g2kin,et USE wvfct, ONLY : nbnd,g2kin,et
USE fft_base, ONLY : dfftp,dffts USE fft_base, ONLY : dfftp,dffts
USE gvect, ONLY : nl,gstart,ig_l2g,g,ngm USE gvect, ONLY : nl,gstart,g,ngm
USE wavefunctions_module, ONLY : evc,psic USE wavefunctions_module, ONLY : evc,psic
USE gvecs, ONLY : ngms USE gvecs, ONLY : ngms
USE gvecw, ONLY : gcutw USE gvecw, ONLY : gcutw
...@@ -337,7 +337,7 @@ SUBROUTINE dfpt_q (m,dvg,dng,tr2,iq) ...@@ -337,7 +337,7 @@ SUBROUTINE dfpt_q (m,dvg,dng,tr2,iq)
USE io_global, ONLY : stdout USE io_global, ONLY : stdout
USE wvfct, ONLY : nbnd,g2kin,et USE wvfct, ONLY : nbnd,g2kin,et
USE fft_base, ONLY : dfftp,dffts USE fft_base, ONLY : dfftp,dffts
USE gvect, ONLY : nl,nl,gstart,ig_l2g,g,ngm USE gvect, ONLY : nl,nl,gstart,g,ngm
USE wavefunctions_module, ONLY : evc,psic USE wavefunctions_module, ONLY : evc,psic
USE gvecs, ONLY : ngms,nls USE gvecs, ONLY : ngms,nls
USE gvecw, ONLY : gcutw USE gvecw, ONLY : gcutw
......
...@@ -17,7 +17,7 @@ MODULE pdep_io ...@@ -17,7 +17,7 @@ MODULE pdep_io
USE kinds, ONLY : DP USE kinds, ONLY : DP
USE mp_global, ONLY : me_bgrp,root_bgrp,nproc_bgrp,intra_bgrp_comm,my_pool_id,my_bgrp_id,inter_bgrp_comm,inter_pool_comm,& USE mp_global, ONLY : me_bgrp,root_bgrp,nproc_bgrp,intra_bgrp_comm,my_pool_id,my_bgrp_id,inter_bgrp_comm,inter_pool_comm,&
& intra_pool_comm & intra_pool_comm
USE westcom, ONLY : npwq, npwq_g, npwqx, ngq, ngq_g, npwqx, igq_l2g, igq_l2g_kdip USE westcom, ONLY : npwq, npwq_g, npwqx, ngq, ngq_g, npwqx, igq_l2g_kdip
USE gvect, ONLY : ig_l2g USE gvect, ONLY : ig_l2g
USE json_module, ONLY : json_file USE json_module, ONLY : json_file
USE base64_module USE base64_module
......
...@@ -38,8 +38,8 @@ MODULE scratch_area ...@@ -38,8 +38,8 @@ MODULE scratch_area
INTEGER, ALLOCATABLE :: ngq(:) ! equivalent of ngk(:) --> ex. ngq(iq) = LOCAL number of PW for (q+G) (global in iq) INTEGER, ALLOCATABLE :: ngq(:) ! equivalent of ngk(:) --> ex. ngq(iq) = LOCAL number of PW for (q+G) (global in iq)
INTEGER, ALLOCATABLE :: igq_q(:,:) ! equivalent of igk_k(:,:) --> ex. igq_q(ig,iq) = map for FFT (global in iq ) INTEGER, ALLOCATABLE :: igq_q(:,:) ! equivalent of igk_k(:,:) --> ex. igq_q(ig,iq) = map for FFT (global in iq )
INTEGER, ALLOCATABLE :: ngq_g(:) ! equivalent of ngk_g(:) --> ex. ngk_g(iq) = TOTAL number of PW for (q+G) (global in iq) INTEGER, ALLOCATABLE :: ngq_g(:) ! equivalent of ngk_g(:) --> ex. ngk_g(iq) = TOTAL number of PW for (q+G) (global in iq)
INTEGER, ALLOCATABLE :: igq_l2g(:,:) ! equivalent of igk_l2g(:,:) --> ex. iqq_l2g(ig,iq) => correspondence between the local (q+G) index and the global G index ! INTEGER, ALLOCATABLE :: igq_l2g(:,:) ! equivalent of igk_l2g(:,:) --> ex. iqq_l2g(ig,iq) => correspondence between the local (q+G) index and the global G index
INTEGER, ALLOCATABLE :: igq_l2g_kdip(:,:) ! equivalent of igk_l2g_kdip(:,:) --> ex. iqq_l2g_kdip(ig,iq) => correspondence between the local (q+G) index and the global (q+G) index INTEGER, ALLOCATABLE :: igq_l2g_kdip(:,:) ! equivalent of igk_l2g_kdip(:,:) --> ex. iqq_l2g_kdip(ig,iq) => correspondence between the global order of (q+G) and the local index for (q+G).
! !
! EPSILON ! EPSILON
REAL(DP),ALLOCATABLE :: d_epsm1_ifr(:,:,:) REAL(DP),ALLOCATABLE :: d_epsm1_ifr(:,:,:)
......
...@@ -15,7 +15,7 @@ SUBROUTINE set_npwq() ...@@ -15,7 +15,7 @@ SUBROUTINE set_npwq()
!----------------------------------------------------------------------- !-----------------------------------------------------------------------
! !
USE kinds, ONLY : DP USE kinds, ONLY : DP
USE westcom, ONLY : npwq,npwq_g,npwqx,ngq,ngq_g,igq_q,igq_l2g,igq_l2g_kdip, & USE westcom, ONLY : npwq,npwq_g,npwqx,ngq,ngq_g,igq_q, &
& l_use_ecutrho,fftdriver & l_use_ecutrho,fftdriver
USE mp, ONLY : mp_max, mp_sum USE mp, ONLY : mp_max, mp_sum
USE mp_global, ONLY : intra_bgrp_comm, inter_bgrp_comm, nbgrp, inter_pool_comm, intra_pool_comm USE mp_global, ONLY : intra_bgrp_comm, inter_bgrp_comm, nbgrp, inter_pool_comm, intra_pool_comm
...@@ -32,8 +32,9 @@ SUBROUTINE set_npwq() ...@@ -32,8 +32,9 @@ SUBROUTINE set_npwq()
! !
INTEGER, EXTERNAL :: n_plane_waves INTEGER, EXTERNAL :: n_plane_waves
REAL(DP), ALLOCATABLE :: gq2kin(:) REAL(DP), ALLOCATABLE :: gq2kin(:)
INTEGER :: iq INTEGER :: iq, ig
INTEGER :: npwqx_g INTEGER :: npwqx_g
INTEGER, ALLOCATABLE :: igq_l2g(:)
! !
IF ( gamma_only ) THEN IF ( gamma_only ) THEN
! !
...@@ -62,14 +63,16 @@ SUBROUTINE set_npwq() ...@@ -62,14 +63,16 @@ SUBROUTINE set_npwq()
ALLOCATE( gq2kin(npwqx) ) ALLOCATE( gq2kin(npwqx) )
ALLOCATE( ngq(q_grid%nps) ) ALLOCATE( ngq(q_grid%nps) )
ALLOCATE( igq_q(npwqx,q_grid%nps) ) ALLOCATE( igq_q(npwqx,q_grid%nps) )
ALLOCATE( igq_l2g(npwqx,q_grid%nps) ) !ALLOCATE( igq_l2g(npwqx,q_grid%nps) )
igq_q(:,:) = 0 igq_q(:,:) = 0
igq_l2g(:,:) = 0 !igq_l2g(:,:) = 0
DO iq = 1, q_grid%nps DO iq = 1, q_grid%nps
CALL gq_sort( q_grid%xp_cart(:,iq), ngm, g, gcutw, ngq(iq), igq_q(:,iq), gq2kin ) CALL gq_sort( q_grid%xp_cart(:,iq), ngm, g, gcutw, ngq(iq), igq_q(:,iq), gq2kin )
CALL gq_l2gmap( ngm, ig_l2g(1), ngq(iq), igq_q(1,iq), igq_l2g(1,iq) ) !CALL gq_l2gmap( ngm, ig_l2g(1), ngq(iq), igq_q(1,iq), igq_l2g(1,iq) )
ENDDO ENDDO
! !
DEALLOCATE(gq2kin)
!
! ... compute the global number of q+G vectors for each q-point ! ... compute the global number of q+G vectors for each q-point
! !
ALLOCATE( ngq_g(q_grid%nps) ) ALLOCATE( ngq_g(q_grid%nps) )
...@@ -83,7 +86,13 @@ SUBROUTINE set_npwq() ...@@ -83,7 +86,13 @@ SUBROUTINE set_npwq()
! !
! ... compute the maximum G vector index among all q+G in processors ! ... compute the maximum G vector index among all q+G in processors
! !
npwq_g = MAXVAL( igq_l2g(:,:) ) npwq_g = 0
DO iq = 1, q_grid%nps
DO ig = 1, ngq(iq)
npwq_g = MAX( npwq_g, ig_l2g(igq_q(ig,iq)) )
ENDDO
ENDDO
!npwq_g = MAXVAL( igq_l2g(:,:) )
! !
CALL mp_max( npwq_g, inter_bgrp_comm ) CALL mp_max( npwq_g, inter_bgrp_comm )
CALL mp_max( npwq_g, intra_bgrp_comm ) CALL mp_max( npwq_g, intra_bgrp_comm )
...@@ -98,11 +107,14 @@ SUBROUTINE set_npwq() ...@@ -98,11 +107,14 @@ SUBROUTINE set_npwq()
igq_l2g_kdip(:,:) = 0 igq_l2g_kdip(:,:) = 0
! !
DO iq = 1, q_grid%nps DO iq = 1, q_grid%nps
CALL gq_l2gmap_kdip( npwq_g, ngq_g(iq), ngq(iq), igq_l2g(1,iq), igq_l2g_kdip(1,iq) ) ALLOCATE( igq_l2g(ngq(iq)) )
DO ig = 1, ngq(iq)
igq_l2g(ig) = ig_l2g( igq_q(ig,iq) )
ENDDO
CALL gq_l2gmap_kdip( npwq_g, ngq_g(iq), ngq(iq), igq_l2g, igq_l2g_kdip(1,iq) )
DEALLOCATE( igq_l2g )
ENDDO ENDDO
! !
DEALLOCATE(gq2kin)
!
ENDIF ENDIF
! !
END SUBROUTINE END SUBROUTINE
...@@ -179,31 +191,31 @@ SUBROUTINE gq_sort( q, ngm, g, ecut, ngq, igq, gq ) ...@@ -179,31 +191,31 @@ SUBROUTINE gq_sort( q, ngm, g, ecut, ngq, igq, gq )
END SUBROUTINE END SUBROUTINE
! !
!---------------------------------------------------------------------------- !----------------------------------------------------------------------------
SUBROUTINE gq_l2gmap( ngm, ig_l2g, ngk, igk, igk_l2g ) !SUBROUTINE gq_l2gmap( ngm, ig_l2g, ngk, igk, igk_l2g )
!---------------------------------------------------------------------------- ! !----------------------------------------------------------------------------
! ! !
! ... This subroutine maps local G+k index to the global G vector index ! ! ... This subroutine maps local G+k index to the global G vector index
! ... the mapping is used to collect wavefunctions subsets distributed ! ! ... the mapping is used to collect wavefunctions subsets distributed
! ... across processors. ! ! ... across processors.
! ... Written by Carlo Cavazzoni ! ! ... Written by Carlo Cavazzoni
! ! !
IMPLICIT NONE ! IMPLICIT NONE
! ! !
! ... Here the dummy variables ! ! ... Here the dummy variables
! ! !
INTEGER, INTENT(IN) :: ngm, ngk, igk(ngk), ig_l2g(ngm) ! INTEGER, INTENT(IN) :: ngm, ngk, igk(ngk), ig_l2g(ngm)
INTEGER, INTENT(OUT) :: igk_l2g(ngk) ! INTEGER, INTENT(OUT) :: igk_l2g(ngk)
INTEGER :: ig ! INTEGER :: ig
! ! !
! ... input: mapping between local and global G vector index ! ! ... input: mapping between local and global G vector index
! ! !
DO ig = 1, ngk ! DO ig = 1, ngk
! ! !
igk_l2g(ig) = ig_l2g(igk(ig)) ! igk_l2g(ig) = ig_l2g(igk(ig))
! ! !
END DO ! END DO
! ! !
END SUBROUTINE !END SUBROUTINE
! !
!----------------------------------------------------------------------- !-----------------------------------------------------------------------
SUBROUTINE gq_l2gmap_kdip( npw_g, ngk_g, ngk, igk_l2g, igk_l2g_kdip ) SUBROUTINE gq_l2gmap_kdip( npw_g, ngk_g, ngk, igk_l2g, igk_l2g_kdip )
......
...@@ -33,7 +33,7 @@ SUBROUTINE do_sxx ( ) ...@@ -33,7 +33,7 @@ SUBROUTINE do_sxx ( )
USE distribution_center, ONLY : pert USE distribution_center, ONLY : pert
USE control_flags, ONLY : gamma_only USE control_flags, ONLY : gamma_only
USE gvecs, ONLY : ngms USE gvecs, ONLY : ngms
USE gvect, ONLY : g,nl,gstart,ngm_g,ig_l2g,ngm USE gvect, ONLY : g,nl,gstart,ngm_g,ngm
USE cell_base, ONLY : omega,at,alat USE cell_base, ONLY : omega,at,alat
USE noncollin_module, ONLY : noncolin,npol USE noncollin_module, ONLY : noncolin,npol
USE mp_world, ONLY : mpime,root USE mp_world, ONLY : mpime,root
......
...@@ -21,7 +21,7 @@ SUBROUTINE westpp_setup ...@@ -21,7 +21,7 @@ SUBROUTINE westpp_setup
USE mp_global, ONLY : intra_bgrp_comm USE mp_global, ONLY : intra_bgrp_comm
USE pwcom, ONLY : nbnd USE pwcom, ONLY : nbnd
USE kinds, ONLY : DP USE kinds, ONLY : DP
USE gvect, ONLY : gstart,g,ig_l2g USE gvect, ONLY : gstart,g
USE io_files, ONLY : tmp_dir USE io_files, ONLY : tmp_dir
USE distribution_center, ONLY : pert,macropert,ifr,rfr,aband USE distribution_center, ONLY : pert,macropert,ifr,rfr,aband
USE class_idistribute, ONLY : idistribute USE class_idistribute, ONLY : idistribute
......
...@@ -22,7 +22,7 @@ SUBROUTINE calc_exx2_gamma( sigma_exx, nb1, nb2 ) ...@@ -22,7 +22,7 @@ SUBROUTINE calc_exx2_gamma( sigma_exx, nb1, nb2 )
USE io_global, ONLY : stdout, ionode USE io_global, ONLY : stdout, ionode
USE io_files, ONLY : nwordwfc, iunwfc USE io_files, ONLY : nwordwfc, iunwfc
USE scf, ONLY : rho, rho_core, rhog_core USE scf, ONLY : rho, rho_core, rhog_core
USE gvect, ONLY : g,nl,gstart,ngm_g,ig_l2g,ngm USE gvect, ONLY : g,nl,gstart,ngm_g,ngm
USE gvecs, ONLY : ngms USE gvecs, ONLY : ngms
USE gvecw, ONLY : gcutw USE gvecw, ONLY : gcutw
USE cell_base, ONLY : tpiba2,omega,tpiba,at,alat USE cell_base, ONLY : tpiba2,omega,tpiba,at,alat
...@@ -226,7 +226,7 @@ SUBROUTINE calc_exx2_k( sigma_exx, nb1, nb2 ) ...@@ -226,7 +226,7 @@ SUBROUTINE calc_exx2_k( sigma_exx, nb1, nb2 )
USE io_global, ONLY : stdout, ionode USE io_global, ONLY : stdout, ionode
USE io_files, ONLY : nwordwfc, iunwfc USE io_files, ONLY : nwordwfc, iunwfc
USE scf, ONLY : rho, rho_core, rhog_core USE scf, ONLY : rho, rho_core, rhog_core
USE gvect, ONLY : g,nl,gstart,ngm_g,ig_l2g,ngm USE gvect, ONLY : g,nl,gstart,ngm_g,ngm
USE gvecs, ONLY : ngms USE gvecs, ONLY : ngms
USE gvecw, ONLY : gcutw USE gvecw, ONLY : gcutw
USE cell_base, ONLY : tpiba2,omega,tpiba,at,alat USE cell_base, ONLY : tpiba2,omega,tpiba,at,alat
......
...@@ -22,7 +22,7 @@ SUBROUTINE calc_vxc( sigma_vxcl, sigma_vxcnl ) ...@@ -22,7 +22,7 @@ SUBROUTINE calc_vxc( sigma_vxcl, sigma_vxcnl )
USE io_global, ONLY : stdout, ionode USE io_global, ONLY : stdout, ionode
USE io_files, ONLY : nwordwfc, iunwfc USE io_files, ONLY : nwordwfc, iunwfc
USE scf, ONLY : rho, rho_core, rhog_core USE scf, ONLY : rho, rho_core, rhog_core
USE gvect, ONLY : g,nl,gstart,ngm_g,ig_l2g,ngm USE gvect, ONLY : g,nl,gstart,ngm_g,ngm
USE gvecw, ONLY : gcutw USE gvecw, ONLY : gcutw
USE cell_base, ONLY : tpiba2 USE cell_base, ONLY : tpiba2
USE fft_base, ONLY : dfftp,dffts USE fft_base, ONLY : dfftp,dffts
......
...@@ -21,7 +21,7 @@ SUBROUTINE get_brak_hyper_parallel(dvpsi,NRHS,NLSTEPS,x,brak,idistr) ...@@ -21,7 +21,7 @@ SUBROUTINE get_brak_hyper_parallel(dvpsi,NRHS,NLSTEPS,x,brak,idistr)
USE random_numbers, ONLY : randy USE random_numbers, ONLY : randy
USE mp, ONLY : mp_sum,mp_circular_shift_left USE mp, ONLY : mp_sum,mp_circular_shift_left
USE io_global, ONLY : stdout, ionode USE io_global, ONLY : stdout, ionode
USE gvect, ONLY : g,nl,gstart,ngm_g,ig_l2g USE gvect, ONLY : g,nl,gstart,ngm_g
USE cell_base, ONLY : tpiba2 USE cell_base, ONLY : tpiba2
USE fft_base, ONLY : dfftp,dffts USE fft_base, ONLY : dfftp,dffts
USE fft_interfaces, ONLY : fwfft, invfft USE fft_interfaces, ONLY : fwfft, invfft
...@@ -143,7 +143,7 @@ SUBROUTINE get_brak_hyper_parallel_complex(dvpsi,NRHS,NLSTEPS,x,brak,idistr) ...@@ -143,7 +143,7 @@ SUBROUTINE get_brak_hyper_parallel_complex(dvpsi,NRHS,NLSTEPS,x,brak,idistr)
USE random_numbers, ONLY : randy USE random_numbers, ONLY : randy
USE mp, ONLY : mp_sum,mp_circular_shift_left USE mp, ONLY : mp_sum,mp_circular_shift_left
USE io_global, ONLY : stdout, ionode USE io_global, ONLY : stdout, ionode
USE gvect, ONLY : g,nl,gstart,ngm_g,ig_l2g USE gvect, ONLY : g,nl,gstart,ngm_g
USE cell_base, ONLY : tpiba2 USE cell_base, ONLY : tpiba2
USE fft_base, ONLY : dfftp,dffts USE fft_base, ONLY : dfftp,dffts
USE fft_interfaces, ONLY : fwfft, invfft USE fft_interfaces, ONLY : fwfft, invfft
......
...@@ -42,7 +42,7 @@ SUBROUTINE solve_wfreq_gamma(l_read_restart,l_generate_plot) ...@@ -42,7 +42,7 @@ SUBROUTINE solve_wfreq_gamma(l_read_restart,l_generate_plot)
USE mp_world, ONLY : mpime USE mp_world, ONLY : mpime
USE mp, ONLY : mp_bcast,mp_barrier,mp_sum USE mp, ONLY : mp_bcast,mp_barrier,mp_sum
USE io_global, ONLY : stdout,ionode USE io_global, ONLY : stdout,ionode
USE gvect, ONLY : g,ngm,gstart,ig_l2g USE gvect, ONLY : g,ngm,gstart
USE gvecw, ONLY : gcutw USE gvecw, ONLY : gcutw
USE cell_base, ONLY : tpiba2,bg,omega USE cell_base, ONLY : tpiba2,bg,omega
USE fft_base, ONLY : dffts USE fft_base, ONLY : dffts
...@@ -616,7 +616,7 @@ SUBROUTINE solve_wfreq_k(l_read_restart,l_generate_plot) ...@@ -616,7 +616,7 @@ SUBROUTINE solve_wfreq_k(l_read_restart,l_generate_plot)
USE mp_world, ONLY : mpime USE mp_world, ONLY : mpime
USE mp, ONLY : mp_bcast,mp_barrier,mp_sum USE mp, ONLY : mp_bcast,mp_barrier,mp_sum
USE io_global, ONLY : stdout,ionode USE io_global, ONLY : stdout,ionode
USE gvect, ONLY : g,ngm,gstart,ig_l2g USE gvect, ONLY : g,ngm,gstart
USE gvecw, ONLY : gcutw USE gvecw, ONLY : gcutw
USE cell_base, ONLY : tpiba2,bg,omega USE cell_base, ONLY : tpiba2,bg,omega
USE fft_base, ONLY : dffts USE fft_base, ONLY : dffts
......
...@@ -23,7 +23,7 @@ SUBROUTINE wfreq_setup ...@@ -23,7 +23,7 @@ SUBROUTINE wfreq_setup
USE mp_global, ONLY : intra_bgrp_comm USE mp_global, ONLY : intra_bgrp_comm
USE pwcom, ONLY : nbnd,nks USE pwcom, ONLY : nbnd,nks
USE kinds, ONLY : DP USE kinds, ONLY : DP
USE gvect, ONLY : gstart,g,ig_l2g USE gvect, ONLY : gstart,g
USE io_files, ONLY : tmp_dir USE io_files, ONLY : tmp_dir
USE distribution_center, ONLY : pert,macropert,ifr,rfr,aband USE distribution_center, ONLY : pert,macropert,ifr,rfr,aband
USE class_idistribute, ONLY : idistribute USE class_idistribute, ONLY : idistribute
......
...@@ -1168,7 +1168,7 @@ SUBROUTINE do_randomize_q (amat, mglobalstart, mglobalend, iq) ...@@ -1168,7 +1168,7 @@ SUBROUTINE do_randomize_q (amat, mglobalstart, mglobalend, iq)
USE kinds, ONLY : DP USE kinds, ONLY : DP
USE random_numbers, ONLY : randy USE random_numbers, ONLY : randy
USE gvect, ONLY : g,gstart,ngm_g,ig_l2g USE gvect, ONLY : g,gstart,ngm_g,ig_l2g
USE westcom, ONLY : dvg,npwqx,npwq,igq_q,igq_l2g USE westcom, ONLY : dvg,npwqx,npwq,igq_q
USE constants, ONLY : tpi USE constants, ONLY : tpi
USE cell_base, ONLY : tpiba2 USE cell_base, ONLY : tpiba2
USE mp, ONLY : mp_barrier USE mp, ONLY : mp_barrier
...@@ -1221,8 +1221,8 @@ SUBROUTINE do_randomize_q (amat, mglobalstart, mglobalend, iq) ...@@ -1221,8 +1221,8 @@ SUBROUTINE do_randomize_q (amat, mglobalstart, mglobalend, iq)
qq(:) = q(:) + g(:,ig) qq(:) = q(:) + g(:,ig)
gnorm2 = (qq(1)**2 + qq(2)**2 + qq(3)**2) * tpiba2 gnorm2 = (qq(1)**2 + qq(2)**2 + qq(3)**2) * tpiba2
IF ( gnorm2 < 1.d-8 ) CYCLE IF ( gnorm2 < 1.d-8 ) CYCLE
rr = random_num_debug(1,igq_l2g(ig,iq)) rr = random_num_debug(1,ig_l2g(igq_q(ig,iq)))
arg = tpi * random_num_debug(2,igq_l2g(ig,iq)) arg = tpi * random_num_debug(2,ig_l2g(igq_q(ig,iq)))
amat(ig,il1) = CMPLX( rr*COS( arg ), rr*SIN( arg ), KIND=DP) / & amat(ig,il1) = CMPLX( rr*COS( arg ), rr*SIN( arg ), KIND=DP) / &
( ( q(1)+g(1,igq_q(ig,iq)) )*( q(1)+g(1,igq_q(ig,iq)) ) + & ( ( q(1)+g(1,igq_q(ig,iq)) )*( q(1)+g(1,igq_q(ig,iq)) ) + &
( q(2)+g(2,igq_q(ig,iq)) )*( q(2)+g(2,igq_q(ig,iq)) ) + & ( q(2)+g(2,igq_q(ig,iq)) )*( q(2)+g(2,igq_q(ig,iq)) ) + &
......
...@@ -20,7 +20,7 @@ SUBROUTINE wstat_setup ...@@ -20,7 +20,7 @@ SUBROUTINE wstat_setup
USE mp, ONLY : mp_max USE mp, ONLY : mp_max
USE mp_global, ONLY : intra_bgrp_comm USE mp_global, ONLY : intra_bgrp_comm
USE kinds, ONLY : DP USE kinds, ONLY : DP
USE gvect, ONLY : gstart,g,ig_l2g,ngm,ngmx USE gvect, ONLY : gstart,g,ngm,ngmx
USE constants, ONLY : e2,fpi USE constants, ONLY : e2,fpi
USE cell_base, ONLY : tpiba2 USE cell_base, ONLY : tpiba2
USE io_files, ONLY : tmp_dir USE io_files, ONLY : tmp_dir
......
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