QE-2: Quantum Espresso Sample Input File using BURAI

Поділитися
Вставка
  • Опубліковано 6 січ 2025

КОМЕНТАРІ • 15

  • @alicanguler4761
    @alicanguler4761 4 роки тому +2

    Thank you, professor. in my opinion, the series of videos is the best explanatory and updated in its class.

  • @pratiksarkar3551
    @pratiksarkar3551 3 роки тому +1

    sir you told that u shall discuss about the optimization etc in upcoming videos. But no videos are there related to q.s( except these two videos) in your channel, plz answer sir

  • @vigneshmurugadoss1461
    @vigneshmurugadoss1461 4 роки тому +1

    Please help to solve this error
    "Could not open file C:\Users\vigne\.burai\.pseudopot\Ti.pbesol-spn-kjpaw_psl.1.0.0.UPF - not a valid URI"

    • @torukazama6378
      @torukazama6378 4 роки тому

      try to download the pseudo potential file q-e site

    • @sunil_bhagtani
      @sunil_bhagtani 3 роки тому

      @@torukazama6378 Sahi bola

    • @hennamalakar2380
      @hennamalakar2380 3 роки тому

      I have the same problem. Where to save those pseudo files?

    • @granophyre9360
      @granophyre9360 3 роки тому +6

      I solved this by changing backslash (\) to forward slash (/) in the pseudopotential directory location on line 4 of the zns.scf input file (e.g. "C:/Users/vigne/.burai/.pseudopot" might work in the above case).

  • @priyankaroy6804
    @priyankaroy6804 4 роки тому

    When is QE-3 video coming sir? Waiting. Please also explain how to calculate Dos, bandgap in quantum espresso. Thank you so much making such videos

    • @samirmeher2000
      @samirmeher2000  4 роки тому +1

      By next 7 days

    • @narayananick4872
      @narayananick4872 3 роки тому

      @@samirmeher2000 Sir, have you uploaded the QE-3 video on a different channel sir?

  • @theafrod8580
    @theafrod8580 3 роки тому

    This operation is not so user friendly. Sir can you please tell , why are we doing these operations , whats the aim of this experiment

  • @priyankaroy6804
    @priyankaroy6804 3 роки тому

    Can I please get your emai I'd sir🙏.