Commit ae673d10 authored by Gregor Michalicek's avatar Gregor Michalicek

Corrected indexing for spin dimension of tuulo array

parent 59686e44
......@@ -244,7 +244,7 @@ MODULE m_tlmplm
!---> set up the t-matrices for the local orbitals,
!---> if there are any
IF (atoms%nlo(n).GE.1) THEN
CALL tlo(atoms,sphhar,jspin,n,enpara,lh0,input,vr(1,0,n),&
CALL tlo(atoms,sphhar,jspin,jsp,n,enpara,lh0,input,vr(1,0,n),&
flo,f,g,ud, uuilon,duilon,ulouilopn, td)
ENDIF
......
......@@ -7,7 +7,7 @@ MODULE m_tlo
! p.kurz jul. 1996
!***********************************************************************
CONTAINS
SUBROUTINE tlo(atoms,sphhar, jsp,ntyp,enpara,lh0,input,vr,&
SUBROUTINE tlo(atoms,sphhar,jspin,jsp,ntyp,enpara,lh0,input,vr,&
flo,f,g,usdus,uuilon,duilon,ulouilopn, tlmplm )
!
!*************** ABBREVIATIONS *****************************************
......@@ -29,7 +29,7 @@ MODULE m_tlo
TYPE(t_enpara),INTENT(IN) :: enpara
! ..
! .. Scalar Arguments ..
INTEGER, INTENT (IN) :: jsp,ntyp ,lh0
INTEGER, INTENT (IN) :: jspin,jsp,ntyp ,lh0
! ..
! .. Array Arguments ..
REAL, INTENT (IN) :: vr(atoms%jmtd,0:sphhar%nlhd)
......@@ -173,9 +173,9 @@ MODULE m_tlo
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) *&
( enpara%el0(l,ntyp,jsp)+enpara%ello0(lo,ntyp,jsp) )
( 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,jsp)+enpara%ello0(lo,ntyp,jsp) ) + 0.5 * usdus%uulon(lo,ntyp,jsp)
( enpara%el0(l,ntyp,jspin)+enpara%ello0(lo,ntyp,jspin) ) + 0.5 * usdus%uulon(lo,ntyp,jsp)
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)
......@@ -193,8 +193,8 @@ MODULE m_tlo
DO lo = atoms%lo1l(lp,ntyp),lop
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,jsp)+&
enpara%ello0(lo,ntyp,jsp))* usdus%uloulopn(lop,lo,ntyp,jsp) + 0.5* (ulouilopn(lop,lo,ntyp) +&
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) +&
ulouilopn(lo,lop,ntyp))
END DO
END DO
......
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