Yavar Azar
Yavar Azar
  • Видео 9
  • Просмотров 19 195
Quantum ESPRESSO 7.4 on Windows 11 (WSL2) | Step-by-Step Installation + Parallel Setup
In this tutorial, I will show you how to install and configure Quantum ESPRESSO 7.4 on Windows 11 using WSL2 (Windows Subsystem for Linux). We will also set up parallel computing (OpenMP) for efficient simulations.
Readme link:
github.com/Yavar-Azar/QE-Examples/blob/master/Example-01/QE-WSL.md
---------------------------------------------------------------------------------
Royalty Free Music: Bensound.com/royalty-free-music
License code: FLWHA4BR7NURT8VL
---------------------------------------------------------------------------------
#QuantumEspresso #WSL2 #Windows11 #ParallelComputing #HPC #Linux #ScientificComputing #QuantumSimulation #OpenMP #MPI #ComputationalPhysics
Просмотров: 169

Видео

10 Apps Every Ubuntu 24.04 User Should Know About
Просмотров 160Месяц назад
Are you looking for the best apps to supercharge your Ubuntu 24 experience? 🚀 Whether you're a developer, designer, or casual Linux enthusiast, this video has you covered! Discover the Top 10 Must-Have Apps for Ubuntu 24, ranging from powerful coding tools to professional-grade creative software. #ubuntu #linux #vscode #blender #top10 #inkscape #python #kdenlive #latex Music I Use: Bensound.com...
Run Quantum ESPRESSO on Google Colab: Easy Setup & Band Structure Visualization
Просмотров 4133 месяца назад
In this video, I'll show you how to run Quantum ESPRESSO directly inside Google Colab, with no need for OS installations! We’ll go through the simple setup process to get QE running smoothly, and I'll also guide you through post-processing steps to visualize band structures using ase. github link: github.com/Yavar-Azar/Courses/blob/main/QE/Colab/QE.ipynb Royalty Free Music: Bensound.com License...
Quantum Espresso Installation Made Easy on Windows WSL [6-Minute Tutorial]
Просмотров 10 тыс.Год назад
Unlock Quantum Espresso's potential on Windows WSL in just 6 minutes! Join us as we guide you through a seamless pw.x installation, merging Windows and Ubuntu for quantum simulations like never before. Find pw input files here and copy them inside `home` in your linux, github.com/Yavar-Azar/youtube/tree/master/QE/pw_inputs Music: Bensound.com/royalty-free-music License code: MIZJL7ALUQCYZUJJ
#Solar System inner planets orbiting #python
Просмотров 57Год назад
github.com/Yavar-Azar/Courses/blob/main/PYTHONCC/annimations/SOLAR.ipynb Music: bensound.com License code: 9JBF98TIB9PBPEJN
Band Structure Plots with Quantum Espresso + ASE !
Просмотров 705Год назад
Source code: github.com/Yavar-Azar/Courses/blob/main/QE/ASE-QE/cif2qeband.py #pw #DFT #band #quantum Joyride by Mixaund | mixaund.bandcamp.com
Atomic Simulation Environment (ASE) in a nutshell
Просмотров 7 тыс.3 года назад
Contents; - ase installation - building a molecule and saving xyz structure - opening a cif file and generating a Quantum-espresso input file (.pwi) - making a supercell all in 5 minutes github.com/Yavar-Azar Music by Wavecont, www.wavecont.com/free-download

Комментарии

  • @nafizahmed2767
    @nafizahmed2767 15 дней назад

    it showing, ' pw.x < espresso.pwi | tee espresso.pwo tee: espresso.pwo: Permission denied ' in the last command, how to solve this issue?

    • @yavartaghipourazar4967
      @yavartaghipourazar4967 6 дней назад

      Please watch the updated version here: ruclips.net/video/sJH1Q4Tl5WI/видео.htmlsi=YKI9WLwZTxUf-5uO

  • @AchrafBenbella
    @AchrafBenbella Месяц назад

    thanks for the tutorial. I tried to save a QE input file from ASE using .pwi but it gave me just the positions of the atoms without the input commands. Can you help me please to solve this problem?

  • @smolaee3943
    @smolaee3943 Месяц назад

    Perfect 🙏🌹

  • @therubemsilva
    @therubemsilva 2 месяца назад

    How can I use this library to create structures using the Monte Carlo method?

  • @f1chtl
    @f1chtl 3 месяца назад

    thanks forthe tutorial! Do you know how to generate alloys ? e.g. a bulk 2x2x2 supercell of Cu-Al ?

    • @yavartaghipourazar4967
      @yavartaghipourazar4967 3 месяца назад

      In ASE GUI, go to the View tab and select Repeat from the list. You can now adjust the numbers (e.g., 2, 2, 2) to create a supercell of your desired size.

    • @f1chtl
      @f1chtl 3 месяца назад

      @@yavartaghipourazar4967 thanks! but how do i make a cell from mixed composition (eg 90%Cu 10% Al) to begin with?

  • @FatimaJavani-h4n
    @FatimaJavani-h4n 3 месяца назад

    perfect

  • @smolaee3943
    @smolaee3943 3 месяца назад

    Thanks 🙏

  • @FatemehShahidi-yh8ks
    @FatemehShahidi-yh8ks 3 месяца назад

    Thank u so much

  • @ProffessorParadox-g1x
    @ProffessorParadox-g1x 5 месяцев назад

    Sir, thank you for your effort, can you please say how to download the pw input folder from github, i m very new to this field, for masters project only i m using quantum espresso

    • @yavartaghipourazar4967
      @yavartaghipourazar4967 4 месяца назад

      In the provided link click on each of input files to see download button in github

  • @Sharmisthashee-c7r
    @Sharmisthashee-c7r 6 месяцев назад

    "Fortran runtime error: Cannot open file 'CRASH': Permission denied" is coming at last step. please help.

  • @Sharmisthashee-c7r
    @Sharmisthashee-c7r 6 месяцев назад

    "Fortran runtime error: Cannot open file 'CRASH': Permission denied " this is coming . please help

  • @Shashaanki
    @Shashaanki 7 месяцев назад

    How can we run QE in parallel after installation by this method?

    • @yavartaghipourazar4967
      @yavartaghipourazar4967 7 месяцев назад

      mpirun -np 8 pw.x < input.pwi > output.pwo , replace 8 with number of cores

    • @Shashaanki
      @Shashaanki 7 месяцев назад

      @@yavartaghipourazar4967 Thanks. I still have two difficulties, will appreciate your help. I. When I run an I/P file, QE looks for pseudopotentials in some default folder usr/share/espresso/pseudo, which is a Read only folder and I cannot add any additional file there. This is unlike your case where your I/P file and psedos are in the same file. 2. My computer has 6 cores and 12 processors. When I was using Windows version of QE earlier (which is outdated now), I could use all 12 processors, but now with mpirun -np (as you suggested) I am not able to run more than 6 processors. Am I missing something here.

  • @солдат76-й2л
    @солдат76-й2л Год назад

    after ^C nothing happened. downloaded files from github using the extension

  • @31mrityunjaysingh
    @31mrityunjaysingh Год назад

    Finally a worth video that helps me in installing Quantum Espresso on Windows 11. Thank You very much.

  • @bestmusic9135
    @bestmusic9135 Год назад

    i lost my time looking for pw.x how i can install when ur video is not complet why

  • @kareemabdelhafez4370
    @kareemabdelhafez4370 Год назад

    thank you!

  • @khawarhassan1093
    @khawarhassan1093 Год назад

    i am unable to locate gfortan

    • @yavartaghipourazar4967
      @yavartaghipourazar4967 Год назад

      Can you try this command, "sudo apt install gfortran" before installing pw?

  • @massoodarabieh7604
    @massoodarabieh7604 Год назад

    Excellent 👌👌👌👌

  • @A_Physicist_To_Be
    @A_Physicist_To_Be Год назад

    Brother what are the commands for other calculations like dos.x bands.x pp.x etc .... what is the syntax.

    • @yavartaghipourazar4967
      @yavartaghipourazar4967 Год назад

      Thanks for you comment, When you install from Ubuntu apt repository, you have access to most of utilities, and you can easily type in command line `dos.x...pp.x``

  • @muhammadnayab8432
    @muhammadnayab8432 Год назад

    kindly send me the pw input file... i couldnt download this from github

  • @homepc1519
    @homepc1519 Год назад

    how to install linear algebra package and fft?

  • @markedwincleofe5589
    @markedwincleofe5589 Год назад

    Thank you! I am able to run Quantum Espresso on my computer. Can you please share your pw_inputs folder so I can check if everything is alright?

    • @yavartaghipourazar4967
      @yavartaghipourazar4967 Год назад

      You can find files here: github.com/Yavar-Azar/youtube/tree/master/QE/pw_inputs

  • @HappyHappy-q5p
    @HappyHappy-q5p Год назад

    Sir, did you input something ^C after giving the command pw.x or it was automatic?? I have installed WSL but can not find the pwinputs folder. Waiting for your reply.

    • @homepc1519
      @homepc1519 Год назад

      I too had the same doubt

    • @yavartaghipourazar4967
      @yavartaghipourazar4967 Год назад

      You are right, you need pw inputs and add them in the /home of you OS, you can download them here, github.com/Yavar-Azar/youtube/tree/master/QE/pw_inputs

    • @yavartaghipourazar4967
      @yavartaghipourazar4967 Год назад

      github.com/Yavar-Azar/youtube/tree/master/QE/pw_inputs

    • @bestmusic9135
      @bestmusic9135 Год назад

      @@yavartaghipourazar4967 how i can download it

  • @abdulwahabayyubi6577
    @abdulwahabayyubi6577 Год назад

    very helpful. Highly appreciate that

  • @diegogamino9825
    @diegogamino9825 Год назад

    where is the pwinputs folder?

    • @yavartaghipourazar4967
      @yavartaghipourazar4967 Год назад

      When you install Windows Subsystem for Linux (WSL) on Windows, you can access your Linux file system from within Windows Explorer's File Explorer. It appears under the file sidebar or in the "Linux Files" section. This allows you to easily copy files from your Windows environment to your Linux environment by placing them in the `/home/youruser` directory or any other location within your WSL distribution.

  • @imtiazikramirfan597
    @imtiazikramirfan597 Год назад

    actually i'm very new to this field, so may I able to run quantum espresso on windows by following your tutorial?

    • @yavartaghipourazar4967
      @yavartaghipourazar4967 Год назад

      Sure, follow the tutorial... If you activate you windows WSL, then you can easily run quantum espresso on your windows machine

  • @mahdimk-n7x
    @mahdimk-n7x Год назад

    great ❤

  • @yavartaghipourazar4967
    @yavartaghipourazar4967 Год назад

    ruclips.net/video/5pBbGfI4g7w/видео.html github.com/Yavar-Azar/Courses/blob/main/PYTHONCC/annimations/SOLAR.ipynb Music: bensound.com License code: 9JBF98TIB9PBPEJN

  • @irajmaleki2843
    @irajmaleki2843 Год назад

    Fantastic tutorial! A fast and robust method for generating high-quality plots for electronic band structures of materials. I highly recommend utilizing this approach.

  • @smolaee3943
    @smolaee3943 Год назад

    👌👌

  • @ShashankShekhar-de4ld
    @ShashankShekhar-de4ld Год назад

    Thank you for this tutorial❤, kindly teach me how to fix the layers ase

  • @pallavidandekar6754
    @pallavidandekar6754 Год назад

    I want to know how to change the atoms colours, texture in ASE for the input file opened. Can you please help?

    • @yavartaghipourazar4967
      @yavartaghipourazar4967 Год назад

      In the view tab you have color setting, and also for more customization you can go to ipython and in command line select nglviewer and set custom color for each atom, wiki.fysik.dtu.dk/ase/ase/visualize/visualize.html, Or for more high quality images you can export povray...

    • @yavartaghipourazar4967
      @yavartaghipourazar4967 Год назад

      ruclips.net/video/3IaAkZHmxKU/видео.html

  • @chemistryforall-bynsridhara
    @chemistryforall-bynsridhara Год назад

    Nice tutorial sir and Thank you kindly try to upload some more videos on ase

  • @GHULAMABBAS-yk7lr
    @GHULAMABBAS-yk7lr Год назад

    Hello can you share vedio how to plot pourbaix diagram and fix compounds colors

  • @M2squre
    @M2squre 3 года назад

    the best to understand gui and ase.. kindly upload more..

  • @gulayalgul5208
    @gulayalgul5208 3 года назад

    Thank you for your informative video.