Nonunique fraction of Fock exchange for defects in two-dimensional materials
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资源简介：
This dataset contains the input and output files for the defect calculations as described in the paper "Nonunique fraction of Fock exchange for defects in two-dimensional materials". ws2.tar.gz: PBE and PBE0, monolayer WS2 ws2_bulk.tar.gz: PBE and PBE0, bulk WS2 ws2_bgw.tar.gz: G0W0, monolayer WS2
创建时间：
2022-07-28
