Published July 10, 2023
| Version 1
Dataset
Open
Dataset for Strong electron-phonon coupling and bipolarons in Sb2S3
Creators
- 1. Institute of High Performance Computing
- 2. University of Cambridge
- 3. Chalmers University of Technology
Description
VASP ground state relaxed unit cell structure for Sb2S3 at HSE06 and optB86b level. Relaxed electron and hole bipolaron supercell structures using HSE06. VASP input files needed to relax a perturbed supercell to obtained the electron and hole bipolaron.
Files
Files
(112.3 kB)
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md5:94fd0bc4d064a9abc852617d19aa6f42
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53.1 kB | Download |
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md5:e3055b318171f28ecf785cab6430ae7d
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2.5 kB | Download |
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md5:d2fea5cf0ce5a8aeb9a41345a03499bb
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2.5 kB | Download |
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md5:652bcc960ce535296e38de0fb516c258
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53.1 kB | Download |
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md5:95c9280f7fb58c09c7c324b13ff1996e
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668 Bytes | Download |
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md5:a7e02b65e19874dfbb6e97279ed01a11
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436 Bytes | Download |