Commit 4513db57 authored by Gregor Michalicek's avatar Gregor Michalicek

Fixed wrong exchange-correlation energy density in vacuum regions for LDA calculations

There was an error in a call to fft2d.
parent bbcecdf9
......@@ -150,7 +150,6 @@ CONTAINS
& exc,bf2,&
& excz(ip,ivac),rhti,excxy(ip,1,ivac),&
& vacuum%nmzxyd,-1)
ENDIF
ENDDO
......@@ -201,7 +200,7 @@ CONTAINS
CALL excall&
& (6,xcpot%icorr,input%krla,input%jspins,&
& vacuum%nmzd,nmzdiff,af2,&
& excz( +1,ivac))
& excz(vacuum%nmzxy+1,ivac))
END IF
ENDDO
IF (noco%l_noco) THEN
......
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