#Vasp code software#
The software is available on all HPC systems at LRZ. Furthermore, support for Wannier90 has been compiled into VASP.
VTST support as well as the Bader analysis tool are available for all installations. Upon positive feedback, access to the software is given by LRZ. LRZ checks back with the VASP team whether the license information is valid. The user applies by contacting LRZ HPC support, providing the following information: name, affiliation (working group), VASP version to be used (5 or 6), license number and the user account(s) under which you access the LRZ systems.
#Vasp code upgrade#
Furthermore, a license of version 5 of VASP does not entitle to use of version 6 - a license upgrade must be procured.īefore using VASP on the LRZ HPC systems, the following steps must be performed: Leibniz Supercomputing Centre has licensed VASP under an installation and maintenance agreement under this agreement, usage of the software is only allowed for licensed users of VASP. Please consult the VASP Site for further details and documentation. The approach implemented in VASP is based on a finite-temperature local-density approximation and an exact evaluation of the instantaneous electronic ground state at each MD-step using efficient matrix diagonalization schemes and an efficient Pulay mixing. VASP is a package for performing ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set.
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