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. |
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| URL | https://isspns-gitlab.issp.u-tokyo.ac.jp/k-yoshimi/dmetttf |
| DOI | |
| Authors | 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 |
| License | CC BY 4.0 (dataset) |
| Category | Electronic structure (solid state physics) , Strong correlation/effective models |
| References | |
| Related software | Quantum ESPRESSO, RESPACK |
| Contact ※Please replace __at__ with @. |
k-yoshimi__at__issp.u-tokyo.ac.jp, tmisawa__at__issp.u-tokyo.ac.jp |
| Note |