Vienna Ab-Initio Simulation Package (VASP)
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Description: Performs ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. The approach implemented in VAMP/VASP is based on a finite-temperature local-density approximation (with the free energy as variational quantity) and an exact evaluation of the instantaneous electronic ground state at each MD-step using efficient matrix diagonalization schemes and an efficient Pulay mixing.
Last modified: Sun Jan 22 22:59:01 CET 2012
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| Date | changed: 20131217 16:11:45 changed: 20101129 16:26:03 changed: 20101129 16:21:28 changed: 20100625 15:40:44 |