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Tags: only GGA psp for Ce

Questions & Answers (1-1 of 1)

  1. GGA only psp for Ce?

    Closed | Responses: 1

    Hello! I ran the calculation with Ce and got a message:

    pspatm: WARNING – Pseudopotential file pspxc= 11, not equal to input ixc= 1. These parameters must agree to get the...

    http://nanohub.org/answers/question/1115

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