| 利用環境 |
- Operate in UNIX environment
- Fortran 90 (such as intel Fortran) and MPI (OpenMPI, intelMPI etc) are required
- It is desirable to be able to use OpenMP
- LAPACK
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| 開発者 |
- Kazuma NAKAMURA (Department of Basic Sciences, Kyushu Institute of Technology)<li>
- Yoshihide YOSHIMOTO (Department of Computer Science, The University of Tokyo)
- Yoshiro NOHARA
- Yusuke NOMURA (Department of Applied Physics, The University of Tokyo)
- Terumasa TADANO (National Institute for Materials Science)
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| 対象となる物質・モデル |
Metals,semiconductors,transition metal compounds, organic compounds, etc.
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| 求められる物理量 |
Maximally localized Wannier function (Wannier-interpolation band, real-space Wannier function, onsite-energy and transfer-integral parameters, etc), RPA response function (optical absorption spectrum, electron energy loss function), Frequency-dependent electronic interaction parameters
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| 手法 |
Maximally localized Wannier function, Many-body perturbation theory (RPA, constrained RPA)
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| 並列化対応 |
Parallel job support (MPI, OpenMP). Confirmation of operation in System B at ISSP, Univ. Tokyo.
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| 関連アプリ |
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| 関連キーワード |
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| 文献 |
- K. Nakamura, Y. Nohara, Y. Yoshimoto, Y. Nomura, Phys. Rev. B 93, 085124 (2016).
- K. Nakamura, Y. Yoshimoto, T. Kosugi, R. Arita, M. Imada, J. Phys. Soc. Jpn 78, 083710 (2009).
- K. Nakamura, R. Arita, M. Imada, J. Phys. Soc. Jpn 77, 093711 (2008).
- Y. Nohara, S. Yamamoto, T. Fujiwara, Phys. Rev. B 79, 195110 (2009).
- T. Fujiwara, S. Yamamoto, Y. Ishii, J. Phys. Soc. Jpn. 72, 777 (2003).
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| その他 |
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