Commit 4d6ad8fe authored by Gregor Michalicek's avatar Gregor Michalicek

Fix wrong spin indexing in hybrid/gen_wavf.F90

parent 6ecbee5b
......@@ -133,19 +133,19 @@ CONTAINS
IF (mpi%irank == 0) WRITE (6,FMT=8000) itype
ng = atoms%jri(itype)
DO l=0,atoms%lmax(itype)
CALL radfun(l,itype,1,el_eig(l,itype),vr(:,itype,jsp),atoms,f(:,:,l),df(:,:,l),usdus,nodem,noded,wronk)
IF (mpi%irank == 0 ) WRITE (6,FMT=8010) l,el_eig(l,itype),usdus%us(l,itype,1),usdus%dus(l,itype,1),nodem,&
usdus%uds(l,itype,1),usdus%duds(l,itype,1),noded,usdus%ddn(l,itype,1),wronk
CALL radfun(l,itype,jsp,el_eig(l,itype),vr(:,itype,jsp),atoms,f(:,:,l),df(:,:,l),usdus,nodem,noded,wronk)
IF (mpi%irank == 0 ) WRITE (6,FMT=8010) l,el_eig(l,itype),usdus%us(l,itype,jsp),usdus%dus(l,itype,jsp),nodem,&
usdus%uds(l,itype,jsp),usdus%duds(l,itype,jsp),noded,usdus%ddn(l,itype,jsp),wronk
hybdat%bas1(1:ng,1,l,itype) = f(1:ng,1,l)
hybdat%bas2(1:ng,1,l,itype) = f(1:ng,2,l)
hybdat%bas1(1:ng,2,l,itype) = df(1:ng,1,l)
hybdat%bas2(1:ng,2,l,itype) = df(1:ng,2,l)
hybdat%bas1_MT(1,l,itype) = usdus%us(l,itype,1)
hybdat%drbas1_MT(1,l,itype) = usdus%dus(l,itype,1)
hybdat%bas1_MT(2,l,itype) = usdus%uds(l,itype,1)
hybdat%drbas1_MT(2,l,itype) = usdus%duds(l,itype,1)
hybdat%bas1_MT(1,l,itype) = usdus%us(l,itype,jsp)
hybdat%drbas1_MT(1,l,itype) = usdus%dus(l,itype,jsp)
hybdat%bas1_MT(2,l,itype) = usdus%uds(l,itype,jsp)
hybdat%drbas1_MT(2,l,itype) = usdus%duds(l,itype,jsp)
END DO
IF (atoms%nlo(itype).GE.1) THEN
......@@ -155,8 +155,8 @@ CONTAINS
iarr(atoms%llo(ilo,itype),itype) = iarr(atoms%llo(ilo,itype),itype) + 1
hybdat%bas1(1:ng,iarr(atoms%llo(ilo,itype),itype),atoms%llo(ilo,itype),itype) = flo(1:ng,1,ilo)
hybdat%bas2(1:ng,iarr(atoms%llo(ilo,itype),itype),atoms%llo(ilo,itype),itype) = flo(1:ng,2,ilo)
hybdat%bas1_MT(iarr(atoms%llo(ilo,itype),itype),atoms%llo(ilo,itype),itype) = usdus%ulos(ilo,itype,1)
hybdat%drbas1_MT(iarr(atoms%llo(ilo,itype),itype),atoms%llo(ilo,itype),itype) = usdus%dulos(ilo,itype,1)
hybdat%bas1_MT(iarr(atoms%llo(ilo,itype),itype),atoms%llo(ilo,itype),itype) = usdus%ulos(ilo,itype,jsp)
hybdat%drbas1_MT(iarr(atoms%llo(ilo,itype),itype),atoms%llo(ilo,itype),itype) = usdus%dulos(ilo,itype,jsp)
END DO
END IF
END DO
......
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