[Pw_forum] problem with DOS

Paolo Giannozzi giannozz at nest.sns.it
Mon Jun 12 09:49:02 CEST 2006

On Sunday 11 June 2006 10:27, Ezad Shojaee wrote:

> i have choose ' ecutrho=600'  not to have problem in recalculation
> of rho , so what's the point ? 

and what's your point? a cutoff for the charge density  should be 
set only for ultrasoft PP. In any case, it has to be the same in the 
scf and non-scf calculations
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

More information about the users mailing list