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Quantum ESPRESSO schools
HPC and high-throughput materials modeling - ICTP, Trieste 2017
DFT hands on
DFT hands on
Speakers:
Prof. PaoloGiannozzi
Date: January 16, 2017
Description:
Total energy scf calculations, optimizations, bands, dos, and post-processing; insulators vs metals (k-points); SCs: defects, isolated systems, surfaces.
Giannozzi notes
Timrov laboratory session materials