[Pw_forum] Pu pseudopotential generation

[Paolo Giannozzi]

On Saturday 06 May 2006 09:29, Dmitry Korotin wrote:

> I'm trying to generate ultrasoft pseudopotential for Pu (with ld1.x code).
> This is my first attempt to generate some pseudo

it is a rather impressive first attempt: ultrasoft full-relativistic
with 14 projectors! I would start with something simpler 
(which, in the case of Pu, may still be rather complex).

The specific error:

>      from gener_pseudo : error #         1
>      too many nodes

means that the code couldn't manage to produce a nodeless
pseudowavefunction

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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