Commit a4b8e896 authored by Frank Freimuth's avatar Frank Freimuth

Update wann_convert_fleur_w90.F90

parent aeb11bbb
......@@ -83,7 +83,11 @@
l_writeunf=.true.
writeform='unformatted'
filenameread(1)='updown.mmn0_unf'
filestoread=3
if(jspins_in.eq.1.and..not.l_nocosoc)then
filestoread=2
else
filestoread=3
endif
if(l_nocosoc)then
filenameread(2)='WF1.socmmn0_unf'
filenameread(3)='WF2.socmmn0_unf'
......@@ -102,7 +106,11 @@
l_writeunf=.true.
writeform='unformatted'
filenameread(1)='updown.mmn0'
filestoread=3
if(jspins_in.eq.1.and..not.l_nocosoc)then
filestoread=2
else
filestoread=3
endif
if(l_nocosoc)then
filenameread(2)='WF1.socmmn0'
filenameread(3)='WF2.socmmn0'
......@@ -121,7 +129,11 @@
l_writeunf=.false.
writeform='formatted'
filenameread(1)='updown.mmn0'
filestoread=3
if(jspins_in.eq.1.and..not.l_nocosoc)then
filestoread=2
else
filestoread=3
endif
if(l_nocosoc)then
filenameread(2)='WF1.socmmn0'
filenameread(3)='WF2.socmmn0'
......@@ -141,7 +153,7 @@
l_writeunf=.false.
writeform='formatted'
filenameread(1)='updown.mmn0'
filestoread=3
if(l_nocosoc)then
filenameread(2)='WF1.socmmn0'
filenameread(3)='WF2.socmmn0'
......@@ -163,7 +175,11 @@
l_writeunf=.false.
writeform='formatted'
filenameread(1)='updown.mmn0_unf'
filestoread=3
if(jspins_in.eq.1.and..not.l_nocosoc)then
filestoread=2
else
filestoread=3
endif
if(l_nocosoc)then
filenameread(2)='WF1.socmmn0_unf'
filenameread(3)='WF2.socmmn0_unf'
......@@ -556,18 +572,30 @@
enddo
enddo
else
! write(*,*)"paulimat conversion:"
! write(*,*)"num_bands1=",num_bands1
if(jspins_in.eq.1)then
do i=1,num_bands1
do j=1,num_bands1
oper_o(j,i,nkp,3)=oper_o(j,i,nkp,2)
enddo
enddo
endif
do i=1,num_bands1
do j=1,num_bands1
oper_o(j,i,nkp,3)=oper_o(j,i,nkp,2)
oper_o(j+num_bands1,i+num_bands1,nkp,3)=-1.0*oper_o(j,i,nkp,3)
enddo
enddo
! write(*,*)"paulimat conversion:"
! write(*,*)"num_bands1=",num_bands1
do i=1,num_bands1
do j=1,num_bands1
oper_o(j+num_bands1,i+num_bands1,nkp,3)=-1.0*oper_o(j,i,nkp,3)
oper_o(j,i,nkp,3)=oper_o(j,i,nkp,2)
enddo
enddo
......
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