Commit 215f278d authored by Henning Janssen's avatar Henning Janssen

Some more places with missing condition for complex matrix setup in LDA+U+SOC

parent 43eed19d
......@@ -142,7 +142,7 @@ SUBROUTINE writeBasis(input,noco,kpts,atoms,sym,cell,enpara,vTot,vCoul,vx,mpi,DI
END IF
l_real=sym%invs.AND..NOT.noco%l_noco
l_real=sym%invs.AND..NOT.noco%l_noco.AND..NOT.(noco%l_soc.AND.atoms%n_u+atoms%n_hia>0)
! check if z-reflection trick can be used
l_zref=(sym%zrfs.AND.(SUM(ABS(kpts%bk(3,:kpts%nkpt))).LT.1e-9).AND..NOT.noco%l_noco)
! IF (mpi%n_size > 1) l_zref = .FALSE.
......
......@@ -169,12 +169,12 @@ CONTAINS
! Initialize Green's function (end)
! Open/allocate eigenvector storage (start)
l_real=sym%invs.AND..NOT.noco%l_noco
l_real=sym%invs.AND..NOT.noco%l_noco.AND..NOT.(noco%l_soc.AND.atoms%n_u+atoms%n_hia>0)
eig_id=open_eig(mpi%mpi_comm,DIMENSION%nbasfcn,DIMENSION%neigd,kpts%nkpt,input%jspins,&
noco%l_noco,.TRUE.,l_real,noco%l_soc,.FALSE.,mpi%n_size)
#ifdef CPP_CHASE
CALL init_chase(mpi,dimension,input,atoms,kpts,noco,sym%invs.AND..NOT.noco%l_noco)
CALL init_chase(mpi,dimension,input,atoms,kpts,noco,.AND..NOT.(noco%l_soc.AND.atoms%n_u+atoms%n_hia>0))
#endif
! Open/allocate eigenvector storage (end)
......
......@@ -551,7 +551,7 @@
!Collect some usage info
CALL add_usage_data("A-Types",atoms%ntype)
CALL add_usage_data("Atoms",atoms%nat)
CALL add_usage_data("Real",sym%invs.AND..NOT.noco%l_noco)
CALL add_usage_data("Real",sym%invs.AND..NOT.noco%l_noco.AND..NOT.(noco%l_soc.AND.atoms%n_u+atoms%n_hia>0))
CALL add_usage_data("Spins",input%jspins)
CALL add_usage_data("Noco",noco%l_noco)
CALL add_usage_data("SOC",noco%l_soc)
......
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