Commit 30d27280 authored by Gregor Michalicek's avatar Gregor Michalicek
Browse files

Corrected generation of k-point mesh with no k points in one of the dimensions

For large unit cells it could happen that an invalid k-point mesh was
generated. This is now corrected in terms of a postprocessing step
in init/divi.f. I hope this does not damage anything.
parent c833de14
......@@ -39,9 +39,11 @@
n(3) = 0
IF (nop2.GE.4) THEN
n(1) = 2*NINT(n(1)/2.0+0.1)
n(2) = 2*NINT(n(2)/2.0+0.1)
n(1) = MAX(2*NINT(n(1)/2.0+0.1),1)
n(2) = MAX(2*NINT(n(2)/2.0+0.1),1)
n(1) = MAX(n(1),1)
n(2) = MAX(n(2),1)
WRITE (*,*) n(1),n(2),n(1)*n(2)
ntes = ntot
......@@ -67,6 +69,9 @@
n(2) = MAX(2*NINT(n(2)/2.0-0.1),1)
n(3) = MAX(2*NINT(n(3)/2.0-0.1),1)
n(1) = MAX(n(1),1)
n(2) = MAX(n(2),1)
n(3) = MAX(n(3),1)
WRITE (*,*) n(1),n(2),n(3),n(1)*n(2)*n(3)
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