Commit 9edf71e7 authored by Daniel Wortmann's avatar Daniel Wortmann

Small bugfixes

parent 74a330a4
......@@ -196,14 +196,14 @@ CONTAINS
econf%num_core_states=econf%num_core_states+1
ENDDO
econf%num_states=econf%num_core_states
CALL econf%set_occupation("(1s1/2)",-1.,-1.)
!valence charge
charge=nz-SUM(ABS(kap(:econf%num_core_states)))*2
DO WHILE(charge>0) !Add valence
str=coreStateList_const(econf%num_states+1)
PRINT*,econf%num_states,str,charge
CALL extract_next(str,np(econf%num_states+1),kap(econf%num_states+1))
econf%num_states=econf%num_states+1
charge=charge-kap(econf%num_states)
charge=charge-ABS(kap(econf%num_states))
ENDDO
ALLOCATE(econf%nprnc(econf%num_states),econf%kappa(econf%num_states))
......@@ -220,7 +220,7 @@ CONTAINS
END SUBROUTINE init_nz
SUBROUTINE set_occupation(econf,state,u,d)
CLASS(t_econfig),INTENT(OUT):: econf
CLASS(t_econfig),INTENT(INOUT):: econf
CHARACTER(len=*),INTENT(IN) :: state
REAL,INTENT(in) :: u,d!up,down
......
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