/Fermi-Softness-for-VASP

A script dealing with VASP result for calculating fermi-softness

Primary LanguagePythonMIT LicenseMIT

Fermi-Softness-for-VASP

A script dealing with VASP result for calculating fermi-softness

Anaconda3, vaspkit and ASE is necessary!

Download script: Click to get script

Download tutorial: Click to get tutorial

Reference: B. Huang, L. Xiao, J. Lu, L. Zhuang, Angew. Chem. Int. Ed. 2016, 55, 6239–6243

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