[Pw_forum] scf cslculation

somayeh fotohi somayehfotohi at yahoo.com
Fri Mar 2 20:19:29 CET 2012


Dear all,
I performed scf cslculation but  end of the output file of scf appears this massage:

End of self-consistent calculation
convergence NOT achieved after 100 iterations: stopping
.
.
.
JOB DONE.

what do I change in input file  for obtaining correct answer?

Many thanks for your comments and suggestions,

Regards,

Somayeh Fotoohi



 
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