Dataset for Strong electron-phonon coupling and bipolarons in Sb2S3
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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.
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Zenodo创建时间：
2023-07-10
