[Pw_forum] Error in "from c_bands :"
Paolo Giannozzi
giannozz at nest.sns.it
Sat Jan 31 17:57:13 CET 2004
On Friday 30 January 2004 10:22, Sergei Lisenkov wrote:
> I send you two output files that contains this error.
Both calculations have been performed with a convergence threshold
that is way too large. The bad convergence of both calculations might
be a consequence of the metallic character of the systems. Add a few
bands and a broadening.
Paolo
--
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
Piazza dei Cavalieri 7 I-56126 Pisa, Italy
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