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Results tagged with pseudopotentials
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user 1020
Refers to the approximation of core electrons by effective potentials. Used in plane-wave and Gaussian based theories.
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Are meta-GGA functionals SCAN (and its variants) ok to use in planewave DFT with the PBE pse...
Despite the lack of SCAN (ultrasoft/PAW) pseudopotentials, various works used it in plane-wave pseudopotential calculations with pseudopotentials generated using PBE (in particular, using VASP, such as … So hopefully SCAN pseudopotentials will arrive soon. …
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