[Pw_forum] PP for transition metal
Noah_Park
baknoo at tokyo.rist.or.jp
Sat Mar 15 09:44:44 CET 2003
Dear All;
(Especially to Eyvaz)
Let me ask you a rather physical question deviated from the code.
Why the application of Norm-Conserving PseudoPotential is doubtable in the cases of transition metal ?
Could anybody answer me or guide a reference that I should read ?
Best regards,
Noah
> applicability of NC PsP to transition metals is a horse of another color.
> There is no doubt that in this case US PsP works well.
>
> Regards,
> Eyvaz Isaev, PhD
> Theoretical Physics Department
> Moscow Steel and Alloys Institute
More information about the users
mailing list