Difference between revisions of "FEFF"
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|fields=Computational materials science; Computational chemistry | |fields=Computational materials science; Computational chemistry | ||
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| − | [http://www.feffproject.org/feffproject-feff.html {{PAGENAME}}] is {{#show: {{PAGENAME}} |?description}}, but it is also possible to do calculations in k-space. It is a popular code for obtaining theoretical spectra, e.g. for EXAFS and XANES. | + | [http://www.feffproject.org/feffproject-feff.html {{PAGENAME}}] is {{#show: {{PAGENAME}} |?description}}, but it is also possible to do calculations in k-space. It is a popular code for obtaining theoretical spectra, e.g. for EXAFS and XANES. |
== Availability == | == Availability == | ||
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<!-- == Tips and tricks == --> | <!-- == Tips and tricks == --> | ||
| − | + | == Further information == | |
| + | Since it is a Green's function technique the computations are typically fast compared with other DFT methods. An older version, [http://leonardo.phys.washington.edu/feff/html/downloads.html FEFF6], is freely available for EXAFS calculations. It is also available together with analyzing software, see [http://cars9.uchicago.edu/ifeffit/Ifeffit link]. | ||
== License == | == License == | ||
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{{list experts}} | {{list experts}} | ||
| − | + | == Links == | |
| − | * [http://www.feffproject.org/feffproject-feff.html | + | * [http://www.feffproject.org/feffproject-feff.html web page]. Here further information about FEFF can be found. |
| + | * [http://leonardo.phys.washington.edu/feff/welcome.html web page]. Another official FEFF page. | ||
Latest revision as of 09:27, 20 March 2013
FEFF is a real-space full multiple scattering (RSFMS) Green's function method, but it is also possible to do calculations in k-space. It is a popular code for obtaining theoretical spectra, e.g. for EXAFS and XANES.
Availability
No installations reported.
Further information
Since it is a Green's function technique the computations are typically fast compared with other DFT methods. An older version, FEFF6, is freely available for EXAFS calculations. It is also available together with analyzing software, see link.
License
License: Requires license. In order to use the code a research group needs a valid license. See link.
Experts
These experts have registered specific competence on this subject:
| Field | AE FTE | General activities | ||
|---|---|---|---|---|
| Weine Olovsson (NSC) | NSC | Computational materials science | 90 | Application support, installation and help |
