Keywords |
Density Functional Theory Electron-phonon couplings Superconductivity High-throughput calculation Magnetism with spin-orbit couplings |

We develop/contribute several open-source softwares as follows.

- wan2respack

This is an interface code to use RESPACK (an open-source software to calculate screened Coulomb interactions) for Wannier functions obtained by wannier90. - sparse-ir

This is a collection of libraries to efficiently handle imaginary-time propagators. We frequently use this and contributed to create a tutorial. - symwannier

This is a code to construct Wannier functions from the wavefunctions on the irreducible Brillouin zone. This code can also calculate symmetry-adapted Wannier functions. - cif2qewan

This code generates input files for quantum-ESPRESSO and wannier90 from crystal structure files. - lambda_weight

This is a patch for quantum-ESPRESSO to improve the convergence of electron-phonon coupling constant, lambda, with respect to k and q mesh sizes. - wannier90

This is a code to calculate Maximally localized Wannier functions. Many developers contribute to the development of this code.

Copyright ©2020 Takashi Koretsune, All Rights Reserved.