How to install BURAI in Windows

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  • Опубликовано: 7 фев 2025
  • The link: github.com/BUR...

Комментарии • 8

  • @vaidehideshmukh5987
    @vaidehideshmukh5987 Год назад +1

    thank you for this helpful video

  • @SAJALPHYS
    @SAJALPHYS Год назад +2

    Sir, NEB, TD-DFT and Phonon are not working in my PC, please help me

    • @theoreticalcmp
      @theoreticalcmp  11 месяцев назад +1

      They aren't yet implemented in BURAI. However, they can be done in QE standalone mode

  • @dhj_k_nk
    @dhj_k_nk 3 месяца назад

    sir i have installed burai and jre as well but running a SCF calculation of Si returns mpiexec.exe -n 4 pw.exe -in espresso.in. what ro do sir?

    • @theoreticalcmp
      @theoreticalcmp  3 месяца назад

      Write your problem with clarity to thrtclcmp@gmail.com

    • @atchayaraman
      @atchayaraman Месяц назад +1

      have you rectified it? i'm alsofacing the same issue

    • @theoreticalcmp
      @theoreticalcmp  Месяц назад

      @@dhj_k_nk send me the error of the screenshot at thrtclcmp@gmail.com