How to Perform Electron Density Differences Calculation in VASP and Analysis by VASPKIT and VESTA

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  • Опубликовано: 5 ноя 2024

Комментарии • 11

  • @karthigamanivannan7922
    @karthigamanivannan7922 Год назад +2

    Thank you for providing a clear explanation sir

  • @karthigamanivannan7922
    @karthigamanivannan7922 Год назад +2

    This video was very helpful

  • @ГулбануКаптагай-с9ш
    @ГулбануКаптагай-с9ш 3 месяца назад +1

    Very nice!Thank you!

  • @phatphamtan6250
    @phatphamtan6250 11 месяцев назад +1

    PLease, charge density difference and electron density difference are the same thing, right?

    • @dbinfotech
      @dbinfotech  11 месяцев назад +1

      Both are same only

    • @phatphamtan6250
      @phatphamtan6250 11 месяцев назад

      @@dbinfotech Oh, thank you sir very much

    • @phatphamtan6250
      @phatphamtan6250 11 месяцев назад +1

      The parameters of INCAR file are similar to SCF, right? just add POSCAR

    • @dbinfotech
      @dbinfotech  11 месяцев назад

      Yes,

    • @phatphamtan6250
      @phatphamtan6250 11 месяцев назад +1

      @@dbinfotech AB-Fe-N-C, A-Fe and B-SLAB have different POTCAR files corresponding to each element, right?