[Pw_forum] Very long time of computation
Paolo Giannozzi
giannozz at nest.sns.it
Mon Oct 17 10:39:19 CEST 2005
On Monday 17 October 2005 09:54, Jun-jun Yang wrote:
> Why the two KPOINTS settings result in different consequences?
they don't. If you are ABSOLUTELY sure that the same calculation,
done with
K_POINTS Gamma
and done with
K_POINTS
1
0.0 0.0 0.0 0 0 0
or
K_POINTS (auto)
1 1 1 0 0 0
yields different results (one set of results meaningful and one set
not: both sets meaningless is another story), please provide a test job
Paolo
--
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
Piazza dei Cavalieri 7 I-56126 Pisa, Italy
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