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[dmftproj] build fromfile basis representation in double precision #6

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[dmftproj] build fromfile basis representation in double precision #6

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10 changes: 5 additions & 5 deletions fortran/dmftproj/set_ang_trans.f
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Original file line number Diff line number Diff line change
Expand Up @@ -37,7 +37,7 @@ SUBROUTINE set_ang_trans
USE prnt
IMPLICIT NONE
CHARACTER(len=150) :: fullpath
CHARACTER(len=250) :: buf1
CHARACTER(len=2000) :: buf1
CHARACTER(len=25) :: basis_file
CHARACTER(len=1) :: repsign
INTEGER, DIMENSION(2*(2*lmax+1)) :: degrep
Expand Down Expand Up @@ -140,10 +140,10 @@ SUBROUTINE set_ang_trans
degrep(irep)=m-ind+1
ind=m+1
ENDIF
READ(buf1(2:250),*)(rtrans(m1),itrans(m1),m1=-l,l)
READ(buf1(2:),*)(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))
& CMPLX(rtrans(-l:l),itrans(-l:l),KIND=8)
m = m + 1
ENDIF
ENDDO
Expand Down Expand Up @@ -201,10 +201,10 @@ SUBROUTINE set_ang_trans
degrep(irep)=m-ind+1
ind=m+1
ENDIF
READ(buf1(2:250),*)(rtrans(m1),itrans(m1),
READ(buf1(2:),*)(rtrans(m1),itrans(m1),
& m1=1,2*(2*l+1))
tempmat(1:2*(2*l+1),m)=
= CMPLX(rtrans(1:2*(2*l+1)),itrans(1:2*(2*l+1)))
= CMPLX(rtrans(1:2*(2*l+1)),itrans(1:2*(2*l+1)),KIND=8)
C The lines of the read matrix are stored in the column of tempmat, which is then P.
ENDDO
C
Expand Down
4 changes: 2 additions & 2 deletions fortran/dmftproj/setsym.f
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Expand Up @@ -826,7 +826,7 @@ SUBROUTINE spinrotmat(spinrot,isym,l)
C We remind that the field phase is (g-a) in this case.
C as a result, ephase = exp(+i(g-a)/2) = -exp(+i(alpha-gamma)/2)
C in good agreement with Wien conventions for the definition of this phase factor.
ephase=EXP(CMPLX(0.d0,factor))
ephase=EXP(CMPLX(0.d0,factor,KIND=8))
spinrot(1:2*l+1,2*l+2:2*(2*l+1))=
= ephase*srot(isym)%rotl(-l:l,-l:l,l)
C Dn/up block :
Expand All @@ -842,7 +842,7 @@ SUBROUTINE spinrotmat(spinrot,isym,l)
C We remind that the field phase is (a+g) in this case.
C as a result, ephase = exp(+i(a+g)/2)=-exp(-i(alpha+gamma)/2)
C in good agreement with Wien conventions for the definition of this phase factor.
ephase=EXP(CMPLX(0.d0,factor))
ephase=EXP(CMPLX(0.d0,factor,KIND=8))
spinrot(1:2*l+1,1:2*l+1)=
= ephase*srot(isym)%rotl(-l:l,-l:l,l)
C Dn/dn block :
Expand Down