pseudopotentials topic

List pseudopotentials repositories

PWDFT.jl

110
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22
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Plane wave density functional theory using Julia programming language

CodeMirror-SwiftUI

110
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22
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CodeMirror-SwiftUI is a lightweight wrapper of CodeMirror for macOS and iOS packaged for SwiftUI.

ONCVPSP

65
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42
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Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format

pseudo_dojo

41
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34
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Python framework for generating and validating pseudo potentials

pslibrary

71
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17
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A library of ultrasoft and PAW pseudopotentials

SPMS-psps

19
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4
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SPMS table of pseudopotentials

Q_band_ZB

15
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3
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Computes the electronic band structure of Zinc Blende semiconductor