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Wave function reading format #1

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kzm7k6r opened this issue Jan 12, 2019 · 3 comments
Open

Wave function reading format #1

kzm7k6r opened this issue Jan 12, 2019 · 3 comments

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@kzm7k6r
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kzm7k6r commented Jan 12, 2019

The wave function format was slightly modified in current version RESPACK:

 do ik=1,Nk_irr
   do ib=1,NBAND
   !
   !20181002 Kazuma Nakamura
   !
   !do ic=1,ncomp
   ! if((ib.ge.NB_start).and.(ib.le.NB_end)) then  
   !  read(102)(CIR(IG,ic,ib-NB_start+1,ik),IG=1,NGI(ik))
   ! else
   !  read(102) 
   ! endif
   !enddo!ic 
   if((ib.ge.NB_start).and.(ib.le.NB_end)) then
    read(102)((CIR(IG,ic,ib-NB_start+1,ik),IG=1,NGI(ik)),ic=1,ncomp)
   else
    read(102)
   endif
   !
   enddo!ib
  enddo!ik
  close(102)
@mnmpdadish
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You are right, I changed it in my new version

@mnmpdadish
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after testing it in my RESPACK version, I reverted to the old way to read. Indeed, there is a reading bug when we use this syntax (even though everything compile without problems).

@kzm7k6r
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kzm7k6r commented Feb 6, 2019

@mnmpdadish
Actually this way of reading wave function is the latest version.
read(102)((CIR(IG,ic,ib-NB_start+1,ik),IG=1,NGI(ik)),ic=1,ncomp)
The output format of wavefunction in util of the respackDev is of an older version.
Let's unify at some stage.

mnmpdadish pushed a commit that referenced this issue Jun 7, 2019
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