Commit 8c793f90 authored by Gregor Michalicek's avatar Gregor Michalicek

Corrected wrong spin indexing of usdus arrays in tlo.F90

The bug was introduced by the earlier fixing of the spn index
in the tuulo array: ae673d10
parent 8e05e3c2
......@@ -172,10 +172,10 @@ MODULE m_tlo
l = atoms%llo(lo,ntyp)
DO m = -l,l
lm = l* (l+1) + m
tlmplm%tuulo(lm,m,lo+mlo,jsp) = tlmplm%tuulo(lm,m,lo+mlo,jsp) + 0.5 * usdus%uulon(lo,ntyp,jsp) *&
tlmplm%tuulo(lm,m,lo+mlo,jsp) = tlmplm%tuulo(lm,m,lo+mlo,jsp) + 0.5 * usdus%uulon(lo,ntyp,jspin) *&
( enpara%el0(l,ntyp,jspin)+enpara%ello0(lo,ntyp,jspin) )
tlmplm%tdulo(lm,m,lo+mlo,jsp) = tlmplm%tdulo(lm,m,lo+mlo,jsp) + 0.5 * usdus%dulon(lo,ntyp,jsp) *&
( enpara%el0(l,ntyp,jspin)+enpara%ello0(lo,ntyp,jspin) ) + 0.5 * usdus%uulon(lo,ntyp,jsp)
tlmplm%tdulo(lm,m,lo+mlo,jsp) = tlmplm%tdulo(lm,m,lo+mlo,jsp) + 0.5 * usdus%dulon(lo,ntyp,jspin) *&
( enpara%el0(l,ntyp,jspin)+enpara%ello0(lo,ntyp,jspin) ) + 0.5 * usdus%uulon(lo,ntyp,jspin)
IF (atoms%ulo_der(lo,ntyp).GE.1) THEN
tlmplm%tuulo(lm,m,lo+mlo,jsp) = tlmplm%tuulo(lm,m,lo+mlo,jsp) + 0.5 * uuilon(lo,ntyp)
tlmplm%tdulo(lm,m,lo+mlo,jsp) = tlmplm%tdulo(lm,m,lo+mlo,jsp) + 0.5 * duilon(lo,ntyp)
......@@ -194,7 +194,7 @@ MODULE m_tlo
loplo = ((lop-1)*lop)/2 + lo
DO m = -lp,lp
tlmplm%tuloulo(m,m,loplo+mlolo,jsp) = tlmplm%tuloulo(m,m,loplo+mlolo,jsp) + 0.5* (enpara%ello0(lop,ntyp,jspin)+&
enpara%ello0(lo,ntyp,jspin))* usdus%uloulopn(lop,lo,ntyp,jsp) + 0.5* (ulouilopn(lop,lo,ntyp) +&
enpara%ello0(lo,ntyp,jspin))* usdus%uloulopn(lop,lo,ntyp,jspin) + 0.5* (ulouilopn(lop,lo,ntyp) +&
ulouilopn(lo,lop,ntyp))
END DO
END DO
......
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