遇见数据集

PVDF crystal structures

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DataCite Commons2020-07-27 更新2025-04-17 收录
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Input files for Quantum ESPRESSO for alpha, delta and beta phases. Ultrasoft pseudopotentials used were downloaded from the QE website. The exchange and correlation potentials in the input files are LDA, PBE, vdW-DF, vdW-DF2 and DFT-D.

创建时间:
2016-05-20
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