[Pw_forum] pseudopotential conversion
giannozz at nest.sns.it
Thu Mar 25 19:06:36 CET 2004
On Thursday 25 March 2004 18:41, Silviu Zilberman wrote:
> That is not the case for me, since I ran two identical calculations
> with PW code, just changing the format of the PP.
if you have any evidence that you get an observable difference in
physical properties between the two cases, please provide the data.
Note that a small difference in the total energy doesn't qualify as
"difference in physical properties".
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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