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OpenMX (Open source package for Material eXplorer) is a software package for nano-scale material simulations based on density functional theories (DFT) [1], norm-conserving pseudopotentials [19,20,21,22,23], and pseudo-atomic localized basis functions [28].
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258 B
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1 line
258 B
Text
OpenMX (Open source package for Material eXplorer) is a software package for nano-scale material simulations based on density functional theories (DFT) [1], norm-conserving pseudopotentials [19,20,21,22,23], and pseudo-atomic localized basis functions [28].
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