[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
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