Commit 399946d8 authored by Daniel Wortmann's avatar Daniel Wortmann

Changed symmetry handling in case of noco&inversion.

Should fix #189. @zimmer please check!
parent 6573405d
......@@ -221,7 +221,7 @@
DO n = 1,atoms%ntype
nat2 = nat1 + atoms%neq(n) - 1
DO na = nat1,nat2 - 1
IF (atoms%invsat(na).EQ.0) THEN
IF (atoms%invsat(na).EQ.0.AND..NOT.noco%l_noco) THEN
naloop:DO na2 = na + 1,nat2
DO i = 1,3
sum_taual(i) = atoms%taual(i,na) + atoms%taual(i,na2)
......
......@@ -522,7 +522,7 @@ CONTAINS
cwork(m,nkvec(lo,iintsp),lo,iintsp) = term1*ylm(lm)
END DO
CALL orthoglo(&
sym%invs,atoms,nkvec(lo,iintsp),lo,l,linindq,.FALSE., cwork(-2*atoms%llod,1,1,iintsp),linind)
sym%invs.and..not.noco%l_noco,atoms,nkvec(lo,iintsp),lo,l,linindq,.FALSE., cwork(-2*atoms%llod,1,1,iintsp),linind)
IF (linind) THEN
lapw%kvec(nkvec(lo,iintsp),lo,na) = k
ELSE
......@@ -545,7 +545,7 @@ CONTAINS
cwork(mind,nkvec(lo,iintsp),lo,iintsp) = ((-1)** (l+m))*CONJG(term1*ylm(lmp))
END DO
CALL orthoglo(&
sym%invs,atoms,nkvec(lo,iintsp),lo,l,linindq,.TRUE., cwork(-2*atoms%llod,1,1,iintsp),linind)
sym%invs.and..not.noco%l_noco,atoms,nkvec(lo,iintsp),lo,l,linindq,.TRUE., cwork(-2*atoms%llod,1,1,iintsp),linind)
IF (linind) THEN
lapw%kvec(nkvec(lo,iintsp),lo,na) = k
! write(*,*) nkvec(lo,iintsp),k,' <- '
......
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