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FPLO-4This software is not currently part of the Software Archive, but was recommended by an user. | |
| Author/Affiliation | Note: please remove the nospam from the email address when contacting the authors. |
| Author email | m.richter@ifwdresden.de.nospam |
| Description of Software | The FPLO package is a full-potential local-orbital minimum-basis code to solve the Kohn-Sham equations on a regular lattice using the local spin density approximation (LSDA). The situation of a chemically disordered structure is covered by a CPA solver, relativistic effects can be treated in a related 4-component code, and the LSDAU formalism is implemented. Much effort has been spent to achieve a level of numerical accuracy which is comparable to advanced full-potential LAPW implementations, though the basis set is one order of magnitude smaller. This makes highly accurate full-potential calculations for elementary cells of up to 100 atoms feasible on single-CPU machines and is a good starting point for approaches beyond the LSDA. |
| Submitted | 2004-08-11 |
| Download software from: | http://www.FPLO.de Please submit your email address. If you've haven't registered before, you will be asked to submit your name and company/institution. |
| Download documentation from: | http://www.FPLO.de[...] |
