[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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