[Pw_forum] Error during relaxation

Paolo Giannozzi giannozz at nest.sns.it
Tue Feb 24 11:38:52 CET 2004


On Tuesday 24 February 2004 01:52, Subhradip Ghosh wrote:

> from linmin : error #         2
> unexpected error

unexpected, but not unexplained: see the manual. 

The next version of PWscf (soon available on the web site) will have 
a different and hopefully more robust optimization algorithm by default.

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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