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VASP: Difference between revisions
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:''The Vienna | :''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.'' | ||
: Reference: [https://www.vasp.at/ VASP website] | : Reference: [https://www.vasp.at/ VASP website] | ||
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# Run <code>module spider vasp</code> to see which versions are available. | # Run <code>module spider vasp</code> to see which versions are available. | ||
# Choose your version and run <code>module spider vasp/<version></code> to see which dependencies you need to load for this particular version. | # Choose your version and run <code>module spider vasp/<version></code> to see which dependencies you need to load for this particular version. | ||
# Load the VASP module | # Load the dependencies and the VASP module, for example: | ||
module load nixpkgs/16.09 intel/2018.3 impi/2018.3.222 vasp/5.4.4 | module load nixpkgs/16.09 intel/2018.3 impi/2018.3.222 vasp/5.4.4 | ||
See [[Using modules]] for more information. | See [[Using modules]] for more information. | ||