MagneticKP: A package for quickly constructing k⋅p models of magnetic and non-magnetic crystals
Published: 9 June 2023| Version 1 | DOI: 10.17632/pgnbjspy4f.1
Contributors:
, , , , , Description
We propose an efficient algorithm for constructing k⋅p effective Hamiltonians, which is much faster than previously proposed algorithms. This algorithm is implemented in MagneticKP package. The package applies to both single-valued (spinless) and double-valued (spinful) cases, and to both magnetic and nonmagnetic systems. By interfacing with SpaceGroupIrep or MSGCorep packages, it can directly output the k⋅p Hamiltonian around arbitrary momentum point and expanded to arbitrary order in k.
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Condensed Matter Physics, Computational Physics