Commit 24fa3575 authored by Frank Freimuth's avatar Frank Freimuth

Update wann_write_uHu.F

parent 4d704c5c
......@@ -34,6 +34,7 @@ c**************************c
integer :: ikpt_b,ikpt_b2
character(len=3) :: spin12(2)
integer :: cpu_index
character(len=60) :: header
data spin12/'WF1' , 'WF2'/
#ifdef CPP_MPI
......@@ -94,21 +95,25 @@ c******************************************************
open (305,file=spin12(jspin2)//trim(fending)//'.uHu'
> //trim(ftype))
write (305,*) 'Elements uHu at k+b1 and k+b2'
write (305,'(3i5)') nbnd,fullnkpts,nntot,nntot2
write (305,'(4i5)') nbnd,fullnkpts,nntot,nntot2
write (305,*)" "
write (305,*)" "
do ikpt = 1,fullnkpts
do ikpt_b = 1,nntot
do ikpt_b2 = 1,nntot2
write(305,'(i6,i6,i6)')ikpt,ikpt_b,ikpt_b2
! write(305,'(i6,i6,i6)')ikpt,ikpt_b,ikpt_b2
do i = 1,nbnd
do j = 1,nbnd
if(isize.gt.1) then
write (305,'(2f24.18)')
& real(uHu(j,i,ikpt_b2,ikpt_b,ikpt)),
& -aimag(uHu(j,i,ikpt_b2,ikpt_b,ikpt))
! & -aimag(uHu(j,i,ikpt_b2,ikpt_b,ikpt))
& aimag(uHu(j,i,ikpt_b2,ikpt_b,ikpt))
else
write (305,'(2f24.18)')
& real(uHu_in(j,i,ikpt_b2,ikpt_b,ikpt)),
& -aimag(uHu_in(j,i,ikpt_b2,ikpt_b,ikpt))
! & -aimag(uHu_in(j,i,ikpt_b2,ikpt_b,ikpt))
& aimag(uHu_in(j,i,ikpt_b2,ikpt_b,ikpt))
endif
enddo
enddo
......@@ -119,15 +124,24 @@ c******************************************************
else
open (305,file=spin12(jspin2)//trim(fending)//'.uHu'
> //trim(ftype),form='unformatted')
write (305) nbnd,fullnkpts,nntot,nntot2
write (305) bpt,gb
if(isize.gt.1) then
write (305) conjg(uHu)
else
write (305) conjg(uHu_in)
endif
close (305)
write (305) nbnd,fullnkpts,nntot !,nntot2
! write (305) bpt,gb
do ikpt = 1,fullnkpts
do ikpt_b = 1,nntot
do ikpt_b2 = 1,nntot2
if(isize.gt.1) then
! write (305) conjg(uHu)
write (305) uHu(:,:,ikpt_b2,ikpt_b,ikpt)
else
! write (305) conjg(uHu_in)
write (305) uHu_in(:,:,ikpt_b2,ikpt_b,ikpt)
endif
close (305)
enddo
enddo
enddo
endif
if((trim(ftype).ne.'_kq').and.l_check) then
write(*,*)'perform symcheck...'
......
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