Support Options

Submit a Support Ticket

Home Tags only GGA psp for Ce All Categories

Tags: only GGA psp for Ce

All Categories (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..., a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.