[Pw_forum] pseudopotential for lithium

Guoying Gao gaoguoying at gmail.com
Tue Aug 19 08:16:23 CEST 2008

Dear  PW users,

      I want to study the properties of lithium under high presssure
(about 200 GPa), we all know that the effect of 1s2 electron states
cann't be neglected at the monment. So we should consider 1s2 as the
valence electron. However, there is no such pseudopotential for
lithium in the pwscf website. In addition, it is very difficult to
generate this pseudopotential . So is there anyone has the
pseudopotential for lithium with 1s2 and 2s1 as valence electrons. Any
suggestions or hints will be appreciated.

Best wishes!

Nab of Superhard Materials
Jilin Univ.

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