Quantum Espresso and Yambo input files

small_cell
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

4 thoughts on “Quantum Espresso and Yambo input files

  1. 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.

    Best,
    Samira

    Reply

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