[Pw_forum] Li pseudopotential

Lorenzo Paulatto paulatto at sissa.it
Mon Nov 16 10:09:48 CET 2009

Replying to message "[Pw_forum] Li pseudopotential" from Elena Redondo  
> 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

Lorenzo Paulatto
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/

     *** save italian brains ***

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