Quantum Espresso Tutorial 1: How to create and run an Input file

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  • Опубліковано 5 січ 2025
  • In this Tutorial, I will show some basics of DFT with Quantum Espresso.

КОМЕНТАРІ •

  • @muneebulhassan7832
    @muneebulhassan7832 8 днів тому

    Hello sir, can you guide to make projected band (electronic n phonon) using QE? OR Recommend a tutorial if you know. Thank you.

  • @59mohammadakramullah40
    @59mohammadakramullah40 2 місяці тому

    How to generate cif file for new compounds

  • @sivashree3453
    @sivashree3453 11 місяців тому

    Can we generate ESP plot from quantum espresso?

  • @zahidhussain6481
    @zahidhussain6481 5 місяців тому

    Thank you for such a great video

  • @AfriSTH
    @AfriSTH 6 місяців тому

    Great job 🎉

  • @uos786
    @uos786 Рік тому

    What is minimum Processor and Ram of computer for Quantum espresso?

  • @AsikurRahamanAsik-i5g
    @AsikurRahamanAsik-i5g Місяць тому

    please sir give solution for below problem:
    MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
    with errorcode 1.
    NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
    You may or may not see output from other processes, depending on
    exactly when Open MPI kills them.

  • @sairachaudhry1503
    @sairachaudhry1503 Рік тому

    when you will upload next video??

  • @sadeghkaviani5710
    @sadeghkaviani5710 Рік тому

    It was great. Many thanks.

  • @ManpreetKaur-gh4kp
    @ManpreetKaur-gh4kp 4 місяці тому

    quantum espresso input generator page is not working. please help me out

    • @higherphysicsbysansmishra
      @higherphysicsbysansmishra  4 місяці тому

      Hi, in this case you can use chatgpt to generate input file by providing it cif file.

  • @tassoyattung8132
    @tassoyattung8132 Рік тому

    Waiting for next video .

  • @tahirasaleem-hw1dc
    @tahirasaleem-hw1dc 11 місяців тому

    unable to find opening terminal while giving command, got stuck at step 3, anybody can help me?

  • @Фифа-у5ы
    @Фифа-у5ы Місяць тому

    Thanks

  • @vbcambajogai
    @vbcambajogai 2 роки тому

    Bhaiyaa. Could u upload the installation video. I am having issues

    • @higherphysicsbysansmishra
      @higherphysicsbysansmishra  2 роки тому

      Please this , easiest way to istall qe in ubantu
      ua-cam.com/video/Oq7xN-_2VTE/v-deo.html

  • @Rehanjamilpk
    @Rehanjamilpk Рік тому

    next video?

  • @user-te4jj2nq6q
    @user-te4jj2nq6q Рік тому

    very very nice thank you very much

  • @physicsacademybyzakirullah8825

    Nice job.

  • @damilolabelewu2169
    @damilolabelewu2169 Рік тому

    God bless u

  • @tanveemhossain5377
    @tanveemhossain5377 Рік тому

    Next video!