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

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  • Опубликовано: 5 ноя 2024

Комментарии • 9

  • @sanjibray3811
    @sanjibray3811 19 дней назад

    Very nice demonstration. In the paper shown at the end of the video, the charge density plot has a color bar with corresponding values. However I could not find how to add these values in the color bar. Could you please help me in this regard ? Thank you

  • @mekrajavel718
    @mekrajavel718 Год назад +1

    Very useful Anna. Thanks your video

  • @VinothKumar-sx6yr
    @VinothKumar-sx6yr 10 месяцев назад

    Hi anna, Can we use VASP to compute Dipole moment of a solid? could you please make video on this..

  • @Arun-if3xi
    @Arun-if3xi Год назад +1

    Sir please make a video on installation of VTST VASP which is used to calculate transition state. I have already installed vasp_gam, vasp_ncl, vasp_std, i.e. simple vasp. But unable to proceed further.

    • @dbinfotech
      @dbinfotech  Год назад +1

      Sorry, I don’t know installation, please contact some software experts. Thank you

  • @alduin2418
    @alduin2418 11 месяцев назад +1

    Hi, I'm getting X.grd, Y.grd and SLICE_001.grd when I run the 2D slice of charge density could you advise me on what I might be doing wrong?

    • @dbinfotech
      @dbinfotech  11 месяцев назад

      Just strictly follow the procedure discussed in this video, you will get your chare density. Thank you SB

  • @RubyKeesey-ff8tr
    @RubyKeesey-ff8tr 4 месяца назад +1

    Is there a way to run charge density difference calculations using the vaspkit command line? It doesn't recognize my files when I input it in the format: vaspkit -task 314 -file CHGCAR_AB -file CHGCAR_A -file CHGCAR_B even though my file paths are correct

    • @dbinfotech
      @dbinfotech  4 месяца назад +1

      Please followed this you can able to do this, How to Perform Electron Density Differences Calculation in VASP and Analysis by VASPKIT and VESTA
      ruclips.net/video/QnWWmKw12xo/видео.html