[Pw_forum] pp.x with gamma-only calculations
Paolo Giannozzi
paolo.giannozzi at uniud.it
Thu Apr 10 15:28:02 CEST 2014
On Thu, 2014-04-10 at 14:19 +0200, Juan J. Meléndez wrote:
> I want to get the charge density for a defective supercell, and it
> seems to me that pp.x does not implement any “gamma-only” tricks.
> Is this right?
no (except for some special cases)
Paolo
> If so, is there any way to overcome this (without recalculating, of
> course)?
>
> Thanks in advance
>
> Juanjo
>
> Juan J. Meléndez
> Associate Professor
> Department of Physics · University of Extremadura
> Avda. de Elvas, s/n 06006 Badajoz (Spain)
> Phone: +34 924 28 96 55
> Fax: +34 924 28 96 51
> Email: melendez at unex.es
> Web:
> http://materiales.unex.es/miembros/personal/jj-melendez/Index.html
>
>
>
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Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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