Dataset for Ab initio study of an organic conductor (DMET-TTF)$2$AuBr$2$
k-yoshimi / dmetttf
概要
The data repository provides a comprehensive dataset related to the theoretical study of an organic conductor (DMET-TTF)$2$AuBr$2$ at high pressures (0-7.61 GPa) analyzed by x-ray diffraction measurements. This repository provides the data, including input and output data for ab initio calculations by Quantum ESPRESSO, and downfolding by RESPACK.
- URL
- https://isspns-gitlab.issp.u-tokyo.ac.jp/k-yoshimi/dmetttf
- 著者
- Taiga Kato, Hanming Ma, Kazuyoshi Yoshimi, Takahiro Misawa, Shigen Kumagai, Youhei Iida, Yoshiaki Sasaki, Masashi Sawada, Jun Gouchi, Takuya Kobayashi, Hiromi Taniguchi, Yoshiya Uwatoko, Hiroyasu Sato, Noriaki Matsunaga, Atsushi Kawamoto, Kazushige Nomura
- ライセンス
- CC BY 4.0 (dataset)
- カテゴリ
- 電子状態計算（固体物理）, 強相関電子系・有効模型
- 関連ソフトウェア
- Quantum ESPRESSO, RESPACK (リンク先: PASUMS ソフトウェアカタログ)
- 連絡先
- k-yoshimi__at__issp.u-tokyo.ac.jp, tmisawa__at__issp.u-tokyo.ac.jp (__at__ を @ に置き換えてください。)
README
Dataset for Ab initio study of an organic conductor (DMET-TTF)$_2$AuBr$_2$
About
The data repository provides a comprehensive dataset related to the theoretical study of an organic conductor (DMET-TTF)$_2$AuBr$_2$ at high pressures (0-7/61 GPa) analyzed by x-ray diffraction measurements. This repository provides the data, including input and output data for ab initio calculations by Quantum ESPRESSO, and downfolding by RESPACK.
License
- CC BY 4.0
Folder structures
- LICENSE
- README.md
- data
- 0.55GPa
- qe
- respack
- 1.46GPa
- 1.7GPa
- 2.04GPa
- 2.825GPa
- 3.17GPa
- 4.085GPa
- 5.14GPa
- 5.73GPa
- 6.51GPa
- 7.61GPa
- 0.55GPa
Contact
- k-yoshimi__at__issp.u-tokyo.ac.jp
- tmisawa__at__issp.u-tokyo.ac.jp
please replace __at__ by @.
出典: https://isspns-gitlab.issp.u-tokyo.ac.jp/k-yoshimi/dmetttf の README