[Pw_forum] Zn 20 electrons pseudopotential

[Giuseppe Mattioli]

Dear Bruno
Multichannel norm-conserving PPs are often very tricky... You may try to follow Paolo's instructions for the Ti case

Espresso/5.0.2/atomic/Doc/pseudo-gen.pdf

Look at the 3.2 section, where a Ti NCPP is generated by using 3s, 3p and 3d valence shells. The 4s and 4p shells are added to the PP during the 
unscreening.

HTH

Giuseppe

On Tuesday 21 May 2013 10:04:31 Bruno Camino wrote:
> Dear all,
> I am looking for a Zn norm conserving pseudopotential with 20 explicit
> electrons (3d,3s,3p). Does anyone kwon where to find it? Thank you in
> advance.
> 
> Bruno Camino
> Università degli Studi di Torino (ITALY)


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   Giuseppe Mattioli                            
   CNR - ISTITUTO DI STRUTTURA DELLA MATERIA   
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