Commit c2626ffb authored by Marco Govoni's avatar Marco Govoni
Browse files

Merge branch 'kWest_review' of https://gitlab.com/mgovoni/West into kWest_review

parents ff55a2b3 91f609b0
......@@ -17,7 +17,7 @@ MODULE pdep_io
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,&
& intra_pool_comm
USE westcom, ONLY : npwq, npwq_g, npwqx, ngq, ngq_g, npwqx !, igq_l2g_kdip
USE westcom, ONLY : npwq, npwq_g, npwqx, ngq, ngq_g, npwqx, igq_q !, igq_l2g_kdip
USE gvect, ONLY : ig_l2g
USE json_module, ONLY : json_file
USE base64_module
......@@ -46,9 +46,9 @@ MODULE pdep_io
! Workspace
!
COMPLEX(DP),ALLOCATABLE :: tmp_vec(:)
INTEGER :: iun,ierr
INTEGER :: iun,ierr,ig
CHARACTER(LEN=:),ALLOCATABLE :: charbase64
INTEGER :: nbytes, ndim, igwx, iunit, nlen
INTEGER :: nbytes, ndim, iunit, nlen
CHARACTER(LEN=30) :: endian
INTEGER :: npwqx_g
INTEGER, ALLOCATABLE :: igq_l2g_kdip(:), igq_l2g(:)
......@@ -186,7 +186,7 @@ MODULE pdep_io
CHARACTER(LEN=1000) :: line
CHARACTER(LEN=:),ALLOCATABLE :: charbase64
CHARACTER(LEN=:),ALLOCATABLE :: endian
INTEGER :: nbytes, ndim, igwx, iunit, nlen
INTEGER :: nbytes, ndim, iunit, nlen
LOGICAL :: found, isle
INTEGER :: npwqx_g
INTEGER, ALLOCATABLE :: igq_l2g_kdip(:), igq_l2g(:)
......
......@@ -401,7 +401,7 @@ SUBROUTINE calc_exx2_k( sigma_exx, nb1, nb2 )
CALL single_invfft_k(dffts,npwkq,npwx,evckmq(1 ,iv_glob),pertr_nc(1,1),'Wave',igk_k(1,ikqs))
CALL single_invfft_k(dffts,npwkq,npwx,evckmq(1+npwx,iv_glob),pertr_nc(1,2),'Wave',igk_k(1,ikqs))
DO ir=1,dffts%nnr
pertr_nc(ir,1)=DCONJG(psic_nc(ir,1))*pertr_nc(ir,1)+DCONJG(psic_nc(ir,2))*pertr_nc(ir,2)
pertr_nc(ir,1)=DCONJG(pertr_nc(ir,1)*phase(ir))*psic_nc(ir,1)+DCONJG(pertr_nc(ir,2)*phase(ir))*psic_nc(ir,2)
ENDDO
CALL single_fwfft_k(dffts,ngms,ngms,pertr_nc(1,1),pertg,'Smooth') ! no igk
ELSE
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment