Workflow of VASP2KP
- workflow diagram：
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VASP2KP: VASP2KP is an open-source package to construct the k\cdot p Hamiltonian and Zeeman's coupling and to compute the k\cdot p parameters and Landé g-factors automatically from ab-initio calculations.IRVSP: IRVSP is an open-source program, to compute irreducible representations of electronic states for all 230 space groups with an interface to the Vienna ab-initio Simulation Package.IR2PW: IR2PW is an open-source program, to compute irreducible representations of electronic states for all 230 space groups with an interface to the Quantum Espresso package (PWscf).