Supporting data; kesterite CZTS structure optimisation
收藏Figshare2015-10-23 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Supporting_data_kesterite_CZTS_structure_optimisation/1468387
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资源简介：
Supporting data for optimisation with "RVO" method. Density functional theory (DFT) calculation output files for energy-volume curves with PBEsol and hybrid DFT calculations with HSE06. FHI-aims and VASP quantum chemistry packages used.
创建时间：
2015-10-23
