Support Options

Submit a Support Ticket

Home Questions and Answers changing electron occupation

Questions and Answers

0 Like

Giovanni Maria Vanacore

changing electron occupation

I would like to change the electron occupation of the energy bands. I tried the command “occ”, but I couldn’t manage to get it working. Do you have any suggestions? Thanks

Report abuse

1 Responses

  1. 0 Like 0 Dislike

    ali lahmer

    try to use occopt with your flag choice to select fermi-dirac, MP or Gaussain smearging as indicated in the abinit user guide

    Reply Report abuse

    Please login to answer the question., 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.