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

we forgot the nsp-loop

parent 7d92b7bb
...@@ -56,7 +56,9 @@ CONTAINS ...@@ -56,7 +56,9 @@ CONTAINS
IF (ALLOCATED(grad%gr)) THEN IF (ALLOCATED(grad%gr)) THEN
! Gradients for libxc ! Gradients for libxc
DO js=1,jspins 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 ENDDO
!contracted gradients for libxc !contracted gradients for libxc
IF (ALLOCATED(grad%sigma)) THEN IF (ALLOCATED(grad%sigma)) THEN
......
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