Informática Aplicada a la Investigación Rotating Header Image

VASP

 1. General information

 2. How to use

 3. Job monitorization

 4. More information

1. General information

Vienna Ab-initio of Simulation Package

5.4.4 version of the DFT ab-initio program. It uses plane wave basis and pseudopotentials (ultrasoft and PAW-augmented wave method). VSTS tools has been included.

License is needed.

2. How to use

To usu VASP in parallel is enougth to execute:

/software/bin/vasp

p4vasp, XCrySDen is installed.

v2xsf

3. Job monitorization

The convergence of a running job can be monitorized with:

remote_vi JOB_ID

that will open the OSZICAR and OUTCAR files in additon to plot the energy and energy variation. It is necessary to use ssh -X or to use X2GO to open the graphic windows.

4. More information

VASP home page y manuals.

VTST tools.

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