Please refer to the following reference for more details in the codes:
https://arxiv.org/abs/2002.04032.
- You are welcome to provide a link to the source code in this repository, but you may not upload the source code to any website.
irvsp
to compute Irreducible Representations of electronic states in Vienna ab-initio Simulation Package (irvsp).
src_irvsp_v1.tar.gz : for symmorphic crystals according to the character tables (CRTs) of point-group (PNG) symmetries.
src_irvsp_v2.tar.gz : for nonsymmorphic crystals according to the CRTs on the Bilbao Crystallographic Server(BCS).
vasp2trace
to compute the traces of electronic states in Vienna ab-initio Simulation Package. The trace file "trace.txt" is generated, which is needed for the CheckTopologicalMat on the BCS: www.cryst.ehu.es/cryst/checktopologicalmat [cite "M.G. Vergniory, et al., Nature 566, 480-485. (2019)"].
src_trace_v1.tar.gz : for the VASP calculations with ISPIN=1.
src_trace_v1.1.tar.gz: for Hybrid functional calculations with ISPIN=1, which can skip the first N k-points.
src_trace_v2.tar.gz : for the VASP calculations with ISPIN=2.
ir2tb
to compute irreducible representations of electronic states in a tight-binding Hamiltonian.
src_ir2tb_v1.tar.gz : for symmorphic crystals according to the character tables (CRTs) of point-group (PNG) symmetries.
src_ir2tb_v2.tar.gz : for nonsymmorphic crystals according to the CRTs on the Bilbao Crystallographic Server(BCS).