[Pw_forum] Error - wrong size

Paolo Giannozzi giannozz at nest.sns.it
Mon Mar 21 13:27:58 CET 2005


On Tuesday 15 March 2005 14:52, Sergey Lisenkov wrote:

> I perform a simple 'scf' calculation and at the end I got the message:
> [...]
>       from  write_restart_pseudo          : error #         1 
>       wrong size

oops...increase the dimension of atomic grids (ndmx in 
Modules/parameters.f90) to more than "Number of points in mesh"
in the pseudopotential files. This is something that should be
checked at the beginning, not at the end, of the calculation.
Thank you for bringing this to our attention

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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