Commit 16fdc892 authored by Matthias Redies's avatar Matthias Redies

we forgot the nsp-loop

parent 7d92b7bb
......@@ -56,7 +56,9 @@ CONTAINS
IF (ALLOCATED(grad%gr)) THEN
! Gradients for libxc
DO js=1,jspins
grad%gr(:,kt+i,js)=(/rhdr(i,js),rhdt(i,js),rhdf(i,js)/)
DO i=1,nsp
grad%gr(:,kt+i,js)=[rhdr(i,js),rhdt(i,js),rhdf(i,js)]
ENDDO
ENDDO
!contracted gradients for libxc
IF (ALLOCATED(grad%sigma)) THEN
......
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