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.
How to use
To usu VASP in parallel is enougth to execute:
/software/bin/vasp
[intlink id=”1353″ type=”post”]p4vasp[/intlink], [intlink id=”5514″ type=”post”]XCrySDen[/intlink] is installed.
v2xsf
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.