[Pw_forum] pseudopotential generation warning: wfc 5 2 not converged

[Paolo Giannozzi]

On Jan 19, 2011, at 3:02 , Fen Hong wrote:

> Actually, this warning not only show up at the beginning, also  
> after the pseudo potential generated.

of course it does, since the code repeats the scf calculation

> By the way, How can I check whether the wavefunctions are  
> sufficiently localized or not.

look at the values or <r> and <r^2> printed in output

> And I did not get the line "eps = 3.2E-16  iter = 36"

sure?

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222