[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
Miguel Martínez Canales
    Dto. Física de la Materia Condensada
    Facultad de Ciencia y Tecnología
    Apdo. 644
    48080 Bilbao (Spain)
Fax:  +34 94 601 3500
Tlf:  +34 94 601 5437

  "If you have an apple and I have an apple and
  we exchange these apples then you and I will
  still each have one apple. But if you have an
  idea and I have an idea and we exchange these
  ideas, then each of us will have two ideas."

  George Bernard Shaw

More information about the users mailing list