Commit e54725fd authored by Daniel Wortmann's avatar Daniel Wortmann

Bugfix in mkgylm to have a spin-loop running to "3" in case of libxc

parent 393472c4
......@@ -55,16 +55,9 @@ CONTAINS
IF (ALLOCATED(grad%gr)) THEN
! Gradients for libxc
IF (jspins==1) THEN
DO i=1,nsp
grad%gr(:,kt+i,1)=(/rhdr(i,1),rhdt(i,1),rhdf(i,1)/)
ENDDO
ELSE
DO i=1,nsp
grad%gr(:,kt+i,1)=(/rhdr(i,1),rhdt(i,1),rhdf(i,1)/)
grad%gr(:,kt+i,2)=(/rhdr(i,2),rhdt(i,2),rhdf(i,2)/)
ENDDO
ENDIF
DO js=1,jspins
grad%gr(:,kt+i,js)=(/rhdr(i,js),rhdt(i,1),rhdf(i,js)/)
ENDDO
!contracted gradients for libxc
IF (ALLOCATED(grad%sigma)) THEN
! Contracted gradients for libxc
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment