Abstract
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. Program summaryProgram title:MagneticKPCPC Library link to program files:https://doi.org/10.17632/pgnbjspy4f.1Developer's repository link:https://github.com/zhangzeyingvv/MagneticKPLicensing provisions: GNU General Public Licence 3.0Programming language: Two independent versions written in Mathematica and PythonExternal routines/libraries:SpaceGroupIrep (Optional), MSGCorep (Optional)Nature of problem: Construct k⋅p Hamiltonian for arbitrary magnetic space group.Solution method: Linear algebra, iterative algorithm to solve common null space of operators.
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