[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

-- 
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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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2005 International Year of Physics



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