Commit 8167ef27 authored by Daniel Wortmann's avatar Daniel Wortmann

Bugfixes for forces in spin-polarized case. Perhaps :-) closer to v26 now?...

Bugfixes for forces in spin-polarized case. Perhaps :-) closer to v26 now? Have to check this... #197
parent 558675aa
......@@ -42,7 +42,7 @@ CONTAINS
DO jsp=1,input%jspins
!CALL tlmplm_cholesky(sphhar,atoms,DIMENSION,enpara, jsp,1,mpi,vTot%mt(:,0,1,jsp),input,vTot%mmpMat, td,ud)
CALL tlmplm_cholesky(sphhar,atoms,noco,enpara,jsp,jsp,mpi,vTot,input,td,ud)
IF (input%l_f) CALL write_tlmplm(td,vTot%mmpMat,atoms%n_u>0,1,jsp,input%jspins)
IF (input%l_f) CALL write_tlmplm(td,vTot%mmpMat,atoms%n_u>0,jsp,jsp,input%jspins)
END DO
CALL timestop("tlmplm")
......
......@@ -77,6 +77,7 @@ CONTAINS
CALL vCoul%copy_both_spin(vTot)
vCoul%mt(:,:,:,input%jspins)=vCoul%mt(:,:,:,1)
IF (noco%l_noco) THEN
CALL denRot%init(stars,atoms,sphhar,vacuum,input%jspins,noco%l_noco,0)
......
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