[Pw_forum] GIPAW problems

Paolo Giannozzi giannozz at democritos.it
Thu Sep 6 13:26:06 CEST 2012


On Sep 6, 2012, at 11:31 , Gabriele Sclauzero wrote:

> Are you speaking about "fixed" occupations, or rather of  
> occupations "from_input"?  [...]
> The restriction to the Gamma point  does not apply to the first  
> case. From a quick glance
> to the code, it seems to me that it still applies to the second case

I vaguely remember removing such restriction some time ago

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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