CPMD

CPMD is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.

Availability / Target HPC systems

CPMD requires an individual license.

Notes

TBD

Sample job scripts

none yet; please volunteer!

Further information

• http://www.cpmd.org/

Mentors

• T. Klöffel, RRZE, hpc-support@fau.de
• AG B. Meyer (Interdisciplinary Center for Molecular Materials)