VASP

The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.

homepage: http://www.vasp.at

version	toolchain
5.4.1	intel/2016.02-GCC-4.9
6.3.2	nvofbf/2022.07

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