Commit 9bef7dc8 authored by Gregor Michalicek's avatar Gregor Michalicek
Browse files

Bugfix for last commit

parent 97231a04
...@@ -363,7 +363,6 @@ ...@@ -363,7 +363,6 @@
ELSE ELSE
kpts%nkpt = MAX(nint((216000/cell%omtil)/sym%nop),1) kpts%nkpt = MAX(nint((216000/cell%omtil)/sym%nop),1)
ENDIF ENDIF
IF (l_hyb.AND.ANY(div(:).EQ.0)) div(:) = 4
ENDIF ENDIF
kpts%specificationType = 0 kpts%specificationType = 0
...@@ -428,6 +427,9 @@ ...@@ -428,6 +427,9 @@
namex = 'hse ' namex = 'hse '
input%frcor = .true. ; input%ctail = .false. ; atoms%l_geo = .false. input%frcor = .true. ; input%ctail = .false. ; atoms%l_geo = .false.
input%itmax = 15 ; input%maxiter = 25 ; input%imix = 17 input%itmax = 15 ; input%maxiter = 25 ; input%imix = 17
IF (ANY(kpts%nkpt3(:).EQ.0)) kpts%nkpt3(:) = 4
div(:) = kpts%nkpt3(:)
kpts%specificationType = 2
END IF END IF
IF(.NOT.juDFT_was_argument("-old")) THEN IF(.NOT.juDFT_was_argument("-old")) THEN
...@@ -440,7 +442,7 @@ ...@@ -440,7 +442,7 @@
a2Temp(:) = a2(:) a2Temp(:) = a2(:)
a3Temp(:) = a3(:) a3Temp(:) = a3(:)
IF(l_explicit.OR.l_hyb) THEN IF(l_explicit) THEN
! kpts generation ! kpts generation
kpts%l_gamma = l_gamma kpts%l_gamma = l_gamma
......
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