SLABCC: Total energy correction code for charged periodic slab models
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下载链接：
https://zenodo.org/record/1323558
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资源简介：
Test set for SLABCC (SLAB Charge Correction) including the input files, input parameters and the expected output.
The geometries correspond to the positively charged Cl-vacancy on the surface of the NaCl slab with different vacuum thickness. The compiler type/compilation flags, linked libraries, and the hardware architecture may influence the optimization results but the effects on the correction energies should be negligible.
The latest version of SLABCC can be downloaded from https://github.com/MFTabriz/slabcc
创建时间：
2020-02-28
