Commit a8941a8c authored by Gregor Michalicek's avatar Gregor Michalicek

Introduced lower bound to default nkpt in set_inp

For very large unit cells this default could become 0 and
this lead to an error. Now the lowest value is 1.
parent cd1243c1
......@@ -370,9 +370,9 @@
IF (kpts%nkpt == 0) THEN ! set some defaults for the k-points
IF (input%film) THEN
cell%area = cell%omtil / vacuum%dvac
kpts%nkpt = nint((3600/cell%area)/sym%nop2)
kpts%nkpt = MAX(nint((3600/cell%area)/sym%nop2),1)
kpts%nkpt = nint((216000/cell%omtil)/sym%nop)
kpts%nkpt = MAX(nint((216000/cell%omtil)/sym%nop),1)
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