[QE-users] How to use VCA to implement doping of an intercalant Cu atom

[Obinna Uzoh]

Dear QE experts, How can I generate the pseudo-potential within virtual crystal approximation (by virtual_v2.x distribution of Quantum Espresso) to model Cu doping (of x percent concentration) in CuxMoS2 system for instance? In this system, Cu is occupying an intercalant position in-between the layers of MoS2. I appreciate your help. Many thanks, Obinna ------- Obinna P. Uzoh Master's Student Department of Physics Sungkyunkwan University Suwon 16419, South Korea. Phone number: +82-10-7380-2013 Email: obinnau...@skku.edu

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