[Pw_forum] question about the Zn pseudopotential

[Paolo Giannozzi]

On Mon, 2 May 2005, Shaorui Sun wrote:

>  &inputp
>    lloc=2,
>    file_pseudopw='/home/wien2k/espresso/propseu/Zn.mt',
>    zval=2.d0,

2 valence electrons

>     tm=.true.
>  /
> 3
> 4S  1  0  2.00  0.00  2.30  2.30
> 4P  2  1  0.00  0.00  2.30  2.30
> 3D  3  2 10.00  0.15  2.30  2.30

2+0+10=12 valence electrons

Paolo