| dc.date.accessioned | 2015-10-21T22:51:27Z | |
| dc.date.available | 2015-10-21T22:51:27Z | |
| dc.identifier.uri | http://hdl.handle.net/11256/477 | |
| dc.description.abstract | "The FPLO package is a full-potential local-orbital minimum-basis code [1] [2] to solve the Kohn-Sham equations on a regular lattice [6]. The situation of a chemically disordered structure is covered by a CPA solver [3], relativistic effects can be treated in a related 4-component code [4], and the LSDA+U formalism is implemented [5].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 considerably 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 standard DFT." - http://www.fplo.de/ | |
| dc.language | Eng | |
| dc.publisher | IFW Dresden | |
| dc.relation.hasversion | 14 | |
| dc.rights | None stated | |
| dc.subject.other | | |
| dc.title | FPLO | |
| dc.type | DFT | |
| dcterms.creator | Klaus Koepernik K.Koepernik@ifw-dresden.de | |
| cc.contact | Manuel Richter m.richter@ifw-dresden.de | |
| cc.cost | $ | |
| cc.distribution | download | |
| cc.landingPageURL | http://www.fplo.de/dev/index.html | |
| cc.versionDate | 2014 | |
