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
