Dataset for "Assessing the accuracy of compound formation energies with quantum Monte Carlo"
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下载链接：
https://www.materialsdatafacility.org/detail/vpt2_cui_qmc_v1.1
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资源简介：
Dataset for formation energies of VPt2 and CuI using DFT (PBE, SCAN, PBE0, and PBE0-SO) and QMC(DMC). All files are input and output files are in the Quantum espresso and DIRAC code format and QMCPACK format.
提供机构：
Materials Data Facility
创建时间：
2022-04-07
