[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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