1.1. What is abICS ?

abICS is a software framework for performing configurational sampling in disordered systems, with a specific emphasis on multi-component solid state systems such as metal and oxide alloys. It couples parallel sampling methods with external codes that perform structural relaxation and energy calculations. We provide interfaces for Quantum Espresso, VASP, and aenet, with planned support for OpenMX in the near future.

1.2. Developers

abICS is developed by the following members.

  • ver. 0.1

    • Shusuke Kasamatsu (Yamagata University)

    • Yuichi Motoyama (Institute for Solid State Physics, Univ. of Tokyo)

    • Kazuyoshi Yoshimi (Institute for Solid State Physics, Univ. of Tokyo)

    • Yoshiyuki Yamamoto (Institute for Solid State Physics, Univ. of Tokyo)

    • Osamu Sugino (Institute for Solid State Physics, Univ. of Tokyo)

    • Taisuke Ozaki (Institute for Solid State Physics, Univ. of Tokyo)

1.3. Version information

  • ver. 0.1 : 2019/12/10.

1.4. License

This package is distributed under GNU General Public License version 3 (GPL v3) or later.