[Pw_forum] scf cslculation

[somayeh fotohi]

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



 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120302/6c2df899/attachment.html>