[Pw_forum] Parallel version and NFS

Paolo Giannozzi giannozz at nest.sns.it
Thu Apr 6 15:15:38 CEST 2006

On Wednesday 05 April 2006 13:54, sir_puding at tut.by wrote:

> my old input
>                         nbnd = 300,
>                        nelec = 257,

300 bands for 257 electrons in a spin-unpolarized system?
that's a lot (the code estimates 155, and it is already more 
than really needed). High-energy states are always slower 
to converge.

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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