Difference between revisions of "CPMD"
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[[Category:Chemistry]][[Category:Software]] | [[Category:Chemistry]][[Category:Software]] | ||
; Short Description: A parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics. | ; Short Description: A parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics. | ||
| − | ; | + | ; Versions |
: 3.13.2 | : 3.13.2 | ||
: 3.11.1 | : 3.11.1 | ||
Revision as of 02:23, December 20, 2011
- Short Description
- A parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.
- Versions
- 3.13.2
- 3.11.1
- Modulefile
- cpmd
- Data
- look for pseudopotentials in
$CPMD/PPLIBNEW - Usage
mpirun cpmd
- Documentation
- cpmd.org
- Tutorial
- CPMD-tutorial