[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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