Quantum Espresso and Yambo input files

This is my small collection of Quantum Espresso (PWSCF) and Yambo input files that I used in my papers or for different testing purposes. I cannot give any warranty whatsoever these files are correct and fit your actual needs.

  1. Carbon nanotubes: 7×7, 4×210×101×10
  2. Carbon nanoribbons: ANGR7
  3. Diamond
  4. Donor Acceptor Complexes from ref. Appl. Phys. Lett. 99, 171909 (2011)
  5. Fullerite (bulk fullerene)
  6. GaAs
  7. Graphane
  8. Graphene, with a small script to make supercells
  9. graphitic-C3N4
  10. ED0-TTF at 0K and 300K
  11. Hexagonal boron-nitride bulk , Hexagonal Boron Nitride sheet
  12. Iron
  13. LiC6
  14. MoS2 without spin-orbit
  15. Naphtalene
  16. Pentacene
  17. PolyEthylene
  18. Silicon

12 thoughts on “Quantum Espresso and Yambo input files

  1. Gonee

    It’s awesome designed for me to have a web page, which is beneficial in support of my knowledge.
    thanks admin

  2. Samira

    Dear Claudio,

    I am familiar with QE but not with Yambo. What can Yambo do which QE couldn’t. I checked yambo page and the ability of the packages seems the same in many aspects. when and why we use yambo and QE with each other? I know this page purpose isn’t such simple questions, but it makes me think of that. I would appreciate if you answer me.


  3. Qiaolin

    Dear Claudio,

    I‘m not familiar with QE and yambo. I have a question that How quantum-espresso reads the quasi-particle correction from the yambo ? and I am really appreciate your answers.


  4. Akash

    I have used quantum espresso for bilayer graphene band structure calculations. Now, I have to do the same with Yambo. Can you please guide me about how Yambo is different from quantum espresso?

  5. bal krishna raj vijeta

    Dear sir, how do you generate unit cells for the carbon nanotube? I tried to use Tubegen for atomic coordinates and then used Burai software to generate my input file. Still, it did not work in my case as in my case; it showed orthorhombic crystal how you made that hexagonal lattice and put a tube inside it. Please share something to read, such as an algorithm or code.


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