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Electronic and Thermoelectric Characterization of Materials from Ab Initio Calculations
We present the Optimized Workflow for Electronic and Thermoelectric Properties (OWETP) python notebook, which uses Density Functional Theory (DFT) as implemented in the Quantum Espresso code for electronic properties of materials. The OWETP python notebook also enables connecting to the Materials Project database, and the nanoHUB tool Landauer Transport Properties (LanTraP) for thermoelectric calculations.