Keywords Density Functional Theory
Electron-phonon couplings
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.