[Pw_forum] setting grid size and memory management for pw scf

Paolo Giannozzi giannozz at democritos.it
Sat Jan 12 17:46:19 CET 2013


On Jan 12, 2013, at 17:21 , Paolo Giannozzi wrote:

>
> On Jan 12, 2013, at 14:47 , Mike Marchywka wrote:
>
>> Could not bracket Fermi level though
>
> may you need a few more Kohn-Sham states

I meant: "maybe" you need ...

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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