How to Plot Band graph in a more easy way by using Xmgrace | SIESTA

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  • เผยแพร่เมื่อ 14 พ.ย. 2024

ความคิดเห็น • 13

  • @prembhatt940
    @prembhatt940 ปีที่แล้ว

    Really nice video..please need more video related on research

  • @prabhakarolichannel9747
    @prabhakarolichannel9747 2 ปีที่แล้ว +1

    good

  • @sabin28
    @sabin28 ปีที่แล้ว

    sir, need videos in strain apply!!!

  • @hoangmaihuy8979
    @hoangmaihuy8979 ปีที่แล้ว +1

    how do you shift the fermi level to zero ?

    • @hashtagpeace
      @hashtagpeace  ปีที่แล้ว +1

      Actually their is a direct command in siesta to shift the fermi level to zero which is
      $gnubands -F *.bands > band.dat !!. where -F shift the fermi level to zero.

    • @hoangmaihuy8979
      @hoangmaihuy8979 ปีที่แล้ว

      @@hashtagpeace i did using command -F but it didnt give me visible bands structure, otherwise, i did have find some that they using value y=y+fermi level in xmgrace, i try and it give me the result. Is that difference between command -F and adding value y in xmgrace ?

  • @prabhakarolichannel9747
    @prabhakarolichannel9747 2 ปีที่แล้ว +1

    how to shift fermi energy???

    • @hashtagpeace
      @hashtagpeace  2 ปีที่แล้ว

      Actually i used this gnubands -F *.bands > band.dat command for band calculation where this -F in command directly shift that fermi energy to zero so no need to shift in this case. But yes, if you don't use that -F in your command you need to shift. I will make short video on this so please keep updating in my channel.

    • @SarojiniM22PHD028
      @SarojiniM22PHD028 11 หลายเดือนก่อน

      @@hashtagpeace how to shift fermi energy in the quantum espresso bands.dat file.

  • @amalyassin6900
    @amalyassin6900 2 ปีที่แล้ว

    How can save the figure without loss bands.dat ?
    We can put a title UP to the figure with xmgrace?

    • @hashtagpeace
      @hashtagpeace  2 ปีที่แล้ว

      Please save a copy of your .dat file before opening that .dat from xmgrace ...

  • @_THUIFIQUEALAM
    @_THUIFIQUEALAM 2 ปีที่แล้ว

    How to apply uniaxial stress then plot band structure?

    • @hashtagpeace
      @hashtagpeace  2 ปีที่แล้ว

      By changing lattice parameters.