Slabcc: Total Energy Correction Code For Charged Periodic Slab Models
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资源简介：
Test sets for SLABCC (SLAB Charge Correction) including the input files, input parameters and the expected output.<br> The geometries correspond to the positively charged Cl-vacancy on the surface of the NaCl slab with different vacuum thickness. SLABCC can be downloaded from https://github.com/MFTabriz/slabcc
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Zenodo创建时间：
2018-07-30
