VESTA example for Elk

Поделиться
HTML-код
  • Опубликовано: 5 ноя 2024

Комментарии • 16

  • @kkm5384
    @kkm5384 5 лет назад +1

    I use VASP. Can i use the output from there to generate such contour maps in 3D for charge density?

    • @vromaka
      @vromaka  5 лет назад

      As far as I remember, there is an option to visualize VASP output in VESTA, have a look on the supported file types and programs

    • @kkm5384
      @kkm5384 4 года назад

      @@vromaka thank you. yes i can visualise and get the volumetric data. but i cannot get a similar bird's eye view projections as you got @6:26 . i get only a flat 2D surface even in bird'd eye view option.
      also, what is the color scale indicates? there are no values written on scale. what is the meaning of the 3D projections, dips shown in @6:26 onwards?

  • @MyronKapetanakis
    @MyronKapetanakis 5 лет назад

    Thanks for the video, it very helpful! I have a question however. Whats the 2nd line you added in the *led file? (the numbers 6 6 6) Are they the number of unit cell along the x,y and z directions? Also, what if your unit cell is not orthogonal? Is there any problem in this case?

    • @vromaka
      @vromaka  5 лет назад

      Yes, lattice parameters. The geometry in the led file doesn't really matter (but we need some fake numbers to meet the requirements of the led file format), as you will import the correct one from the GEOMETRY.OUT file

  • @webermesquita2815
    @webermesquita2815 8 лет назад

    hi! thanks for this tutorial but in my software the option style>properties>isosurfaces is not avaiable and i would like to do the samething as you did in your structure! please help me! thanks

    • @vromaka
      @vromaka  8 лет назад

      This option is available only AFTER you open volumetric data (*.led file)

  • @kkm5384
    @kkm5384 4 года назад +1

    How to mark the scale values of the color scale?

    • @vromaka
      @vromaka  4 года назад

      manually in CorelDraw, Libreoffice Draw, etc.

    • @kkm5384
      @kkm5384 4 года назад

      @@vromaka thank you. I try to do/check. But how do we know which color is marked at which value?

    • @vromaka
      @vromaka  4 года назад

      @@kkm5384 In VESTA --> Properties-->Sections there you can view/set both limits for the scale

    • @kkm5384
      @kkm5384 4 года назад

      @@vromaka Thank a lot. :)

    • @yanhsien1615
      @yanhsien1615 4 года назад +1

      @@vromaka Are you referring to the "Saturation levels"? Thank you! :)

  • @RubenEAcosta
    @RubenEAcosta 8 лет назад +1

    Muchas gracias :)

  • @sufyanramzan6773
    @sufyanramzan6773 7 лет назад +1

    Man at-least add some Yoga music in background if you are shy to speak