[Pw_forum] PBE Na pseudopotential

Miriam Marques mmarques at staffmail.ed.ac.uk
Fri Nov 23 18:59:33 CET 2007


  Dear Axel,

  First of all, thank you very much for your answer.
  Unfortunately, I cannot find the PBE semicore pseudopotential
  in the CPMD extended library. Instead, I find:
  Na_GO_BLYP.psp  Na_MT_HCTH_SEMI.psp  Na_MT_PW91_SEMI.psp  Na_SEMI_BLYP.psp
  Na_GO_LDA.psp   Na_MT_NLCC.psp       Na_MT_XLYP_SEMI.psp  Na_SGS_LDA.psp
  Among them,  a PW91 semi PP.
  Sorry for bothering you a little bit more,
  but could you please send me the PBE PP  you found?

  Thank you very much in advance,


   Miriam.

  Dr. Miriam Marques
  Centre for Science at Extreme Conditions.
  The University of Edinburgh.
  e-mail: mmarques at staffmail.ed.ac.uk



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