[Pw_forum] Li pseudopotential

[Lorenzo Paulatto]

Replying to message "[Pw_forum] Li pseudopotential" from Elena Redondo  
(16/11/09):
> PBE norm-conserving pseudopotential for Li
> ...
> It includes 1s,2s and 2p in the valence with small core radius of  
> 0.8,1.0 and 1.0.
> Any information would be appreciated.

Dear Elena, what you have should be all you need to regenerate it. Just  
take file atomic_doc/pseudo_library/PBE/SR/H.pbe-rrkjus.in in QE, adapt it  
to Lithium and change the radii to suit your needs.

If you have any problem, ghost states or similar please ask again.

best regards



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Lorenzo Paulatto
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