[Pw_forum] Problem of the energy of orbital in ld1.x with PDOS

[Paolo Giannozzi]

On Sep 25, 2011, at 4:58 , WF wrote:

>  my problem here is [...] how to show 5P in later PDOS calculation
>
you need atomic wavefunctions for a bound 5P state in the
pseudopotential file

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