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PARSEC | |
| Author/Affiliation | Jim Chelikowsky, University of Texas at Austin and University of Minnesota |
| Author email | jrc@ices.utexas.edu |
| Description of Software | Electronic structure code using pseudopotentials constructed within the local density approximation. The code discrtetizes the Kohn-Sham equation and solves for eigenvalues on a cubic grid. The code is capable of solving for optical properties of localized systems using time dependent density functional theory. Ab initio molecular dynamics using quantum forces for clusters is implemented within this code. Currently only a serial version is available. The input requires atomic positions and pseudopotentials for the required atomic species. A link to a program to generate Troullier-Martins pseudopotentials is provided. |
| Submitted | 2002-06-14 |
| Disclaimer | This codes comes with NO warranty or support. |
| Copyright | GNU public license, included with instructions on downloading the codes. |
| Project URL | http://www.ices.utexas.edu/parsec/index.html |
| Download software from: | http://www.ices.utexas.edu/parsec/index.html Please submit your email address. If you've haven't registered before, you will be asked to submit your name and company/institution. |
