[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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