Vienna Ab-Initio Simulation Package (VASP) - Performs ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set.


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Category: Main » Computers » Programming » Languages » Fortran	UPDATE INFO \| REPORT BROKEN LINK
Vienna Ab-Initio Simulation Package (VASP)	Popularity: Hit: 24

Details:

	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. Sponsored Links:
URL:	http://cms.mpi.univie.ac.at/vasp/
Title:	VASP Group, Theoretical Physics Department, Vienna
Description:	Computers, Programming, Languages, Fortran - Vienna Ab-Initio Simulation Package (VASP). Performs ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set.
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