Commit b5d1a4f9 authored by Uliana Alekseeva's avatar Uliana Alekseeva

Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop

parents e643bada 4dc5f6fd
......@@ -227,7 +227,7 @@ CONTAINS
!$OMP& SHARED(lapw,gkrot,lmax,c_ph,iintsp,ab,fj,gj,abclo,cell,atoms) &
!$OMP& SHARED(alo1,blo1,clo1,ab_size,na,n) &
!$OMP& PRIVATE(k,vmult,ylm,l,ll1,m,lm,term,invsfct,lo,nkvec)
DO k = 1,lapw%nv(1)
DO k = 1,lapw%nv(iintsp)
!--> generate spherical harmonics
vmult(:) = gkrot(:,k)
CALL ylm4(lmax,vmult,ylm)
......
......@@ -69,7 +69,7 @@ CONTAINS
!---> loop over non-spherical components of the potential: must
!---> satisfy the triangular conditions and that l'+l+lamda even
!---> (conditions from the gaunt coefficient)
DO lh = 1, nh
DO lh = MERGE(1,0,jspin<3), nh
lamda = sphhar%llh(lh,nsym)
lmin = lp - l
lmx = lp + l
......@@ -117,7 +117,7 @@ CONTAINS
lmp = lp* (lp+1) + mp
lmpl = (lmp* (lmp+1))/2
!---> loop over lattice harmonics
DO lh = 1, nh
DO lh = MERGE(1,0,jspin<3), nh
lamda = sphhar%llh(lh,nsym)
lmin0 = abs(lp-lamda)
IF (lmin0.GT.lp) CYCLE
......
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