Commit ea0db787 authored by Frank Freimuth's avatar Frank Freimuth

Update wann_convert_fleur_w90.F90

parent b73e5015
......@@ -84,7 +84,8 @@
writeform='unformatted'
filenameread(1)='updown.mmn0_unf'
if(jspins_in.eq.1.and..not.l_nocosoc)then
filestoread=2
filestoread=1
filenameread(1)='WF1.mmn0_unf'
else
filestoread=3
endif
......@@ -107,7 +108,8 @@
writeform='unformatted'
filenameread(1)='updown.mmn0'
if(jspins_in.eq.1.and..not.l_nocosoc)then
filestoread=2
filestoread=1
filenameread(1)='WF1.mmn0_unf'
else
filestoread=3
endif
......@@ -130,7 +132,8 @@
writeform='formatted'
filenameread(1)='updown.mmn0'
if(jspins_in.eq.1.and..not.l_nocosoc)then
filestoread=2
filestoread=1
filenameread(1)='WF1.mmn0_unf'
else
filestoread=3
endif
......@@ -176,7 +179,8 @@
writeform='formatted'
filenameread(1)='updown.mmn0_unf'
if(jspins_in.eq.1.and..not.l_nocosoc)then
filestoread=2
filestoread=1
filenameread(1)='WF1.mmn0_unf'
else
filestoread=3
endif
......@@ -395,7 +399,12 @@
endif
write(*,*)"before read(spn_in):nbnd,fullnkpts,fileidx=",nbnd,fullnkpts,fileidx
if(.not.l_nocosoc .and. fileidx==1 )then
read(spn_in)oper_o(1:nbnd,1+nbnd:2*nbnd,1:fullnkpts,fileidx)
if(jspins_in==1)then
if(.not.l_paulimat) call juDFT_error("check it",calledby="wann_convert_fleur_w90")
read(spn_in)oper_o(1:nbnd,1:nbnd,1:fullnkpts,2)
else
read(spn_in)oper_o(1:nbnd,1+nbnd:2*nbnd,1:fullnkpts,fileidx)
endif
else
read(spn_in)oper_o(1:nbnd,1:nbnd,1:fullnkpts,fileidx)
endif
......@@ -584,6 +593,15 @@
oper_o(j,i,nkp,3)=oper_o(j,i,nkp,2)
enddo
enddo
oper_o(:,:,nkp,1)=cmplx(0.0,0.0)
do i=1,num_bands1
do j=1,num_bands1
oper_o(j,i+nbnd,nkp,1)=oper_o(j,i,nkp,2)
enddo
enddo
endif
do i=1,num_bands1
......
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