[Pw_forum] Electron-Phonon: Two questions

Miguel Martínez Canales wmbmacam at lg.ehu.es
Thu Sep 22 16:34:29 CEST 2005

Dear people,

I am doing a "warm up" electron-phonon calculation with Al. I am basically 
looking for convergence and similar issues (i.e. gaussian broadening). I 
have the following issues (v2.1.3 & v.2.1.5):

- One of the calculations, although it yields results, gives me the 
following error message:

      task #         0
      from set_kplusq : error #         0
      too many k points

should I be worried? The loop at set_kplusq.f90 doesn't stop with this 
error message. Is this correct?

- On the second non-selfconsistent run, with a dense grid (32 32 32 and 
higher) sometimes kpoint counting surpasses k(9999) and k(****) follows. Is 
this the source of the previous error? Is this normal?

- I am also seeing some davcio errors, maybe these are related maybe not. 
If anyone wants the input file, I'd be glad to put it.

Although I wouldn't bet my life, it seems that the program is well 
compiled, as examples seem to run just fine.

Thanks in advance,


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

2005 International Year of Physics

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