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GitHub topics: fermi-level

SMTG-Bham/doped

doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.

Language: Python - Size: 802 MB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 182 - Forks: 33

ariahosseini/ThermoElectric

ThermoElectric is a computational framework that computes electron transport coefficients.

Language: Jupyter Notebook - Size: 30.4 MB - Last synced at: 8 months ago - Pushed at: 8 months ago - Stars: 17 - Forks: 9

Related Keywords
fermi-level 2 transport-model 1 modeling-electron-transport 1 fermi-golden-rule 1 electron-scattering 1 electron-energy-filtering 1 carrier-concentration 1 vasp 1 transition-levels 1 shakenbreak 1 semiconductors 1 pymatgen 1 point-defects 1 doping 1 dft 1 defects 1 defect-thermodynamics 1 defect-levels 1 defect-formation-energy 1 defect-calculation 1 computational-materials-science 1 computational-chemistry 1 ab-initio 1