IrRep: Symmetry eigenvalues and irreducible representations of ab initio band structures

We present IrRep – a Python code that calculates the symmetry eigenvalues of electronic Bloch states in crystalline solids and the irreducible representations under which they transform. As input it receives bandstructures computed with state-of-the-art Density Functional Theory codes such as VASP,...

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Bibliographische Detailangaben

1. Verfasser:	John Ballantyne
Format:	Dataset
Sprache:	eng
Online-Zugang:	Volltext bestellen
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