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- Mon Oct 09, 2017 10:54 am
- Forum: Ground state
- Topic: Doping of MoS2 without large supercell calculation
- Replies: 0
- Views: 2424
Doping of MoS2 without large supercell calculation
Hello Abinit forum, I've been using Abinit to try and see the effects on the bandstructure of MoS2 when doped. I have found this article Renormalization of the quasiparticle band gap in doped two-dimensional materials from many-body calculations , in which they use Quantum Espresso to add fractions ...