Welcome to flair, an implementation of the Full-potential Linearized Augmented Plane Wave (FLAPW) method for bulk and thin films. The development of the code is collaborative effort. The major groups involved are at the University of Wisconsin-Milwaukee (Weinert), the University of Vienna (Podloucky), the Technical University of Vienna (Redinger), and Oregon State University (Schneider) ; these groups have a long history of working with the FLAPW method - including its original development - as well as in the development of a number of other electronic structure methods. People interested in collaborating on flair are welcome and are encouraged to get in touch with us.

Availability:

The code is available as source and requires a Fortran 90/95 compiler. The code has been compiled and run on a number of different machines. If interested in using the code, send an email to weinert@uwm.edu for information and registration.

Versions:

Although its roots date back to the original FLAPW,  flair is continuously being modified and enhanced. To make it easier to keep track of changes/modifications, the code is labeled with version numbers. The latest release version is always available from the "official" flair homepage. (For access, see above.) Any bug reports/fixes should be sent to here.

Running:

flair is rather easy to run because of its flexible input, the automatic calculation (and updating) of many parameters (e.g., energy parameters), and the selection of intelligent defaults based on many years of collective experience. There is no GUI frontend, but the input files are easy to generate. Moreover, although there are many options that can be specified and various outputs generated (e.g., density of states, band structures, density plots), the only necessary inputs are structural, which may be given in a number of different forms.

Licensing:

The code and software contained in this package is, unless explicitly stated otherwise, copyrighted by the "flair Consortium." The licensing of this code is presently under discussion; until this is resolved, there is no explicit license granted, although the intent is to make the use of the code as free as possible. A possible license for discussion purposes can be found here. Comments are welcomed.

Contact Information:

For information/comments, drop me an e-mail.

Michael Weinert
weinert@uwm.edu


Last updated 2007-04-04
The flair logo courtesy of Cesare Franchini.