Commit f84c5116 authored by Robin Hilgers's avatar Robin Hilgers

Merge branch 'develop' of https://iffgit.fz-juelich.de/fleur/fleur into develop

parents 875517b3 82099003
......@@ -95,7 +95,7 @@ CONTAINS
ENDDO
IF (.not.present(angso)) RETURN !only chis are needed
!In the first variation SOC case the off-diagonal spinors are needed
DO kj = 1,ki
DO kj = 1,size(angso,1)
cross_k(1)=lapw%gk(2,ki,1)*lapw%gk(3,kj,1)- lapw%gk(3,ki,1)*lapw%gk(2,kj,1)
cross_k(2)=lapw%gk(3,ki,1)*lapw%gk(1,kj,1)- lapw%gk(1,ki,1)*lapw%gk(3,kj,1)
cross_k(3)=lapw%gk(1,ki,1)*lapw%gk(2,kj,1)- lapw%gk(2,ki,1)*lapw%gk(1,kj,1)
......
......@@ -201,13 +201,13 @@ CONTAINS
mat%data_c(i,j) = 0.0
ENDIF
ENDIF
!IF (i_glob==j_glob) THEN
! IF (mat%l_real) THEN
! mat%data_r(i,j) = mat%data_r(i,j)/2.0
! ELSE
! mat%data_c(i,j) = mat%data_c(i,j)/2.0
! ENDIF
!ENDIF
IF (i_glob==j_glob) THEN
IF (mat%l_real) THEN
mat%data_r(i,j) = mat%data_r(i,j)/2.0
ELSE
mat%data_c(i,j) = mat%data_c(i,j)/2.0
ENDIF
ENDIF
ENDDO
ENDDO
......
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