| dc.date.accessioned | 2015-10-21T22:51:25Z | |
| dc.date.available | 2015-10-21T22:51:25Z | |
| dc.identifier.uri | http://hdl.handle.net/11256/461 | |
| dc.description | https://wiki.fysik.dtu.dk/dacapo/Manual | |
| dc.description.abstract | This tool performs calculations for Local Density Approximation (LDA) and Generalized Gradient Approximation (GGA) exchange-correlations potentials as well as various molecular dynamics calculations. Dacapo is a total energy program based on density functional theory. It uses a plane wave basis for the valence electronic states and describes the core-electron interactions with Vanderbilt ultrasoft pseudo-potentials. Calculations using dacapo are done using the Atomic Simulation Environment (ASE). <<https://wiki.fysik.dtu.dk/ase/>> | |
| dc.language | Eng | |
| dc.publisher | DTU Technical University of Denmark | |
| dc.relation.hasversion | None stated | |
| dc.rights | None stated | |
| dc.subject.other | | |
| dc.title | DACAPO | |
| dc.type | DFT | |
| dcterms.creator | Marcin Dulak | |
| dcterms.license | GPL http://www.gnu.org/licenses/gpl.html | |
| cc.accessURL | https://wiki.fysik.dtu.dk/dacapo/Installation#dacapo-python-interface | |
| cc.contact | Marcin Dulak [email protected] | |
| cc.cost | Free | |
| cc.distribution | download | |
| cc.implementation | https://wiki.fysik.dtu.dk/dacapo/Installation | |
| cc.landingPageURL | https://wiki.fysik.dtu.dk/dacapo/dacapo | |
| cc.versionDate | None stated | |
