Commit d6053b8f authored by Frank Freimuth's avatar Frank Freimuth

Update spnorb.f90: Optional variable compo added (only used for

Wannier interpolation of SOC in wann_socmat_vec)
parent d43bc415
......@@ -94,7 +94,7 @@ CONTAINS
CALL spnorb_angles(atoms,mpi,noco%theta,noco%phi,rsoc%soangl)
END SUBROUTINE spnorb
SUBROUTINE spnorb_angles(atoms,mpi,theta,phi,soangl)
SUBROUTINE spnorb_angles(atoms,mpi,theta,phi,soangl,compo)
USE m_anglso
USE m_sgml
USE m_sorad
......@@ -104,6 +104,7 @@ CONTAINS
TYPE(t_mpi),INTENT(IN) :: mpi
REAL,INTENT(IN) :: theta,phi
COMPLEX,INTENT(INOUT) :: soangl(:,-atoms%lmaxd:,:,:,-atoms%lmaxd:,:)
INTEGER, INTENT(IN),OPTIONAL :: compo
! ..
! ..
! .. Local Scalars ..
......@@ -116,7 +117,8 @@ CONTAINS
DATA ispjsp/1,-1/
IF ((ABS(theta).LT.0.00001).AND.(ABS(phi).LT.0.00001)) THEN
IF ((ABS(theta).LT.0.00001).AND.(ABS(phi).LT.0.00001)&
.AND..NOT.PRESENT(compo)) THEN
!
! TEST for real function sgml(l1,m1,is1,l2,m2,is2)
!
......@@ -151,7 +153,7 @@ CONTAINS
DO m1 = -l1,l1,1
DO m2 = -l2,l2,1
soangl(l1,m1,jspin1,l2,m2,jspin2) =&
anglso(theta,phi,l1,m1,is1,l2,m2,is2)
anglso(theta,phi,l1,m1,is1,l2,m2,is2,compo)
ENDDO
ENDDO
!
......
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