Commit b591bd5e authored by Gregor Michalicek's avatar Gregor Michalicek

Cleanup for SOC scaling changes

parent ec276da2
......@@ -54,7 +54,7 @@ CONTAINS
! .. Local Scalars ..
INTEGER i,j,nk,jspin ,iter ,n ,l
INTEGER n_loc,n_plus,i_plus,n_end,nsz,nmat
LOGICAL l_all,l_file,l_socvec
LOGICAL l_file,l_socvec !,l_all
INTEGER wannierspin
TYPE(t_enpara) :: enpara
TYPE(t_usdus):: usdus
......@@ -192,16 +192,16 @@ CONTAINS
IF (mpi%irank==0) THEN
IF (noco%soc_opt(atoms%ntype+1) .OR. l_all) THEN
IF (l_all) THEN
WRITE (6,fmt='(A)') 'Only SOC contribution of certain'&
//' atom types included in Hamiltonian.'
ELSE
IF (noco%soc_opt(atoms%ntype+1)) THEN ! .OR. l_all) THEN
! IF (l_all) THEN
! WRITE (6,fmt='(A)') 'Only SOC contribution of certain'&
! //' atom types included in Hamiltonian.'
! ELSE
WRITE (chntype,'(i3)') atoms%ntype
WRITE (6,fmt='(A,2x,'//chntype//'l1)') 'SOC contributi'&
//'on of certain atom types included in Hamiltonian:',&
(noco%soc_opt(n),n=1,atoms%ntype)
ENDIF
! ENDIF
ELSE
WRITE(6,fmt='(A,1x,A)') 'SOC contribution of all atom'//&
' types inculded in Hamiltonian.'
......
......@@ -340,7 +340,9 @@
banddos%orbCompAtom = 0
ALLOCATE(xcpot%lda_atom(atoms%ntype))
ALLOCATE(noco%socscale(atoms%ntype))
xcpot%lda_atom(:) = .FALSE.
noco%socscale(:) = 1.0
IF(juDFT_was_argument("-toXML")) THEN
WRITE(*,*) ''
......
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