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Allow for comment lines in SRC_templates (newer Wien2k versions)

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This commit is contained in:
aichhorn 2024-09-16 14:29:58 +02:00
parent 89434044aa
commit c19cbe7971
1 changed files with 14 additions and 9 deletions
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23
fortran/dmftproj/set_ang_trans.f
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@ -128,19 +128,24 @@ C Reading of the file
OPEN(iumatfile,file=fullpath,status='old')
ind=-l
irep=0
DO m=-l,l
m = -l
DO WHILE (m.le.l)
READ(iumatfile,'(a)')buf1
READ(buf1(1:1),'(a)')repsign
IF(repsign=='*') THEN
C Get rid of comment lines first
IF (repsign.NE.'#') THEN
IF(repsign=='*') THEN
C Finding the different ireps in the new basis (a "*" means the end of an irep)
irep=irep+1
degrep(irep)=m-ind+1
ind=m+1
ENDIF
READ(buf1(2:250),*)(rtrans(m1),itrans(m1),m1=-l,l)
irep=irep+1
degrep(irep)=m-ind+1
ind=m+1
ENDIF
READ(buf1(2:250),*)(rtrans(m1),itrans(m1),m1=-l,l)
C The line of the file is stored in the column of reptrans, which is temporarly "P".
reptrans(l,isrt)%transmat(-l:l,m)=
& CMPLX(rtrans(-l:l),itrans(-l:l))
reptrans(l,isrt)%transmat(-l:l,m)=
& CMPLX(rtrans(-l:l),itrans(-l:l))
m = m + 1
ENDIF
ENDDO
reptrans(l,isrt)%transmat(-l:l,-l:l)=
= TRANSPOSE(CONJG(reptrans(l,isrt)%transmat(-l:l,-l:l)))