[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
 
 


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