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mfkiwl
Fetched on 2026/08/06 09:03
mfkiwl
/
Ch121a-DFT
Tutorial to run basic DFT, MD and surface science calculations, in a classroom. Implementing minimal tools, lite exposure to pyscf, ORCA, Jaguar, lammps, Gromacs, Quantum Espresso and VASP codes -
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