Hybrid functionals | VASP Lecture

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  • Опубликовано: 5 ноя 2024

Комментарии • 5

  • @DrLIRAAAAAAA
    @DrLIRAAAAAAA Год назад +1

    Could you provide a sample INCAR file for the band-structure calculation with hybrids for the new procedure using the KPOINTS_OPT file? I have been trying to do this for the past few days. When I plot the band structure using py4vasp, I only get the energies on the automatic k-points mesh of the Brillouin zone, not in the high symmetry points along the path specified by the KPOINTS_OPT file.

    • @vasp8588
      @vasp8588  Год назад +1

      Please use the VASP Forum (www.vasp.at/forum/) to ask your question!

    • @DrLIRAAAAAAA
      @DrLIRAAAAAAA Год назад

      @@vasp8588 I did, got a reply that was very helpful, and solved my issue. Thank you!

  • @shilanaziz3447
    @shilanaziz3447 6 месяцев назад

    thanks