| Legacy documentation
This page describes a service provided by a retired ACENET system. Most ACENET services are currently provided by national systems, for which please visit https://docs.computecanada.ca.
- A parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.
- CPMD homepage
$CPMD/PP_LIBRARY/: Standard CPMD pseudo library
$CPMD/pseudo_extlib/: Extended CPMD pseudo library
$CPMD/vdb/: Ultrasoft CPMD pseudo library
- Access to CPMD is restricted to those who have read and agreed to the CPMD license terms. If you wish to use this package, please contact support via email (and also send a copy of your request to email@example.com) making sure you include your username, name of project leader and a statement indicating that you agree to the terms and conditions of the CPMD license.
- Here is an example of a submission script:
#$ -cwd #$ -l h_rt=01:00:00 #$ -pe ompi* 4 module load cpmd mpirun cpmd.x file.inp $CPMD/pseudo_extlib/