[Pw_forum] Some electron-phonon questions
Miguel Martínez Canales
wmbmacam at lg.ehu.es
Fri May 4 15:28:21 CEST 2007
Thank you very much for your answers, Paolo
Paolo Giannozzi escribió:
>
> On May 2, 2007, at 12:25 , Miguel Mart=EDnez wrote:
>> Is this data-saving
>> flag equivalent to the previous way of computing the el-ph coupling with
>> a second very dense non self-consistent mesh?
>
> not exactly
>
>> In the case of not being equivalent, how small are the differences?
>
> they should be small when convergence is achieved
>
>> On another ground, are displaced Monkhorst-Pack grids compatible with
>> electron phonon calculations?
>
> I don't think they are
>
> Paolo
> ---
> Paolo Giannozzi, Democritos and University of Udine, Italy
>
--
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Miguel Martínez Canales
Dto. Física de la Materia Condensada
UPV/EHU
Facultad de Ciencia y Tecnología
Apdo. 644
48080 Bilbao (Spain)
Fax: +34 94 601 3500
Tlf: +34 94 601 5437
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