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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. | 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. | ||
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Revision as of 11:21, 11 January 2017
VASP
VASP is restricted software.
Usage of this software is restricted only to those determined eligible by the license manager. If you believe you are eligible to use VASP on our clusters, please email the HPRC Help Desk with the request and justification.
VASP homepage
module load 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.