Vasp

Software Summary

Mesabi

Default Module: 

5.4.4

Other Modules Available: 

4.6.nc2, 5.3.3, 5.3.5, 5.3.5_impi5.0.3.048, 5.4.1, 5.4.1.03082016, 5.4.1.wannier, 5.4.4, 5.4.4_VASPsol, 4.6, 4.6.nc

Last Updated On: 

Friday, August 3, 2018

Itasca

Default Module: 

5.4.4

Other Modules Available: 

4.6.nc2, 5.3.3, 5.3.5, 5.3.5_impi5.0.3.048, 5.4.1, 5.4.1.03082016, 5.4.1.wannier, 5.4.4, 5.4.4_VASPsol, 4.6, 4.6.nc

Last Updated On: 

Friday, August 3, 2018

Lab

Default Module: 
Other Versions Available: 
Last Updated On: 

Windows

Default Module: 
Other Versions Available: 
Last Updated On: 

Friday, August 3, 2018

Web App

Default Version: 
Other Versions Available: 
Last Updated On: 
Last Updated On: 

Friday, August 3, 2018

Support Level: 
Primary Support
Software Access Level: 
RESTRICTED - Contact Helpdesk
Software Categories: 
Electronic Structure
Software Description
Software Description: 

Vasp is a package for performing ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. The approach implemented in 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.

Note: MSI is allowed to host the software, but MSI cannot purchase a license. Each group must purchase their own license and each group member must be approved through the University of Vienna. Once you have purchased a license, please send verification of the license and user approval along with your request to become part of the VASP group and to access the program.

MSI can only add users to a VASP license if requested by the University of Vienna. Send email to the administrative contact at the University of Vienna.

You can find information about purchasing a VASP license and administrative contact information in the VASP FAQ.

Software Documentation

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