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Hello, I'm currently working on point defects, especially oxygen vacancies in YNiO3 and I use VASP. I first compute the ideal crystal, then I introduced an oxygen vacancy in a 3x3x3 supercell...
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Hello, I'm currently working on the formation energy of charged defect with VASP and I'm confused about the energy range that is involved in the equation shown in the figure. I think an example...
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Hello everyone. I was wondering if there is litterature that study the influence of the hydrostatic pressure on the electronic band structure from a theoretical point of view. I've found many...
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