Accuracy of the HSE hybrid functional to describe many-electron interactions and charge localization in semiconductors
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资源简介：
Data for: Accuracy of the HSE hybrid functional to describe many-electron interactions and charge localization in semiconductors.
Folder: SiV_q-1_D3d. Input and output files and spin density for the negatively charged SiV in diamond in D3d symmetry (Quantum-Espresso).
Folder: SiV_q-1_C2h. HSE and DMC spin densities of the negatively charged SiV in diamond in C2h symmetry (Gaussian .cube).
创建时间：
2018-09-14
