- WIEN2k
The WIEN2k package is a
computer program written inFortran which performsquantum calculations on periodicsolids . It uses the full-potential (linearized) augmented plane-wave and local-orbitals [FP-(L)APW+lo] basis set to solve theKohn-Sham equations ofdensity functional theory .WIEN2k was originally developed by Peter Blaha and Karlheinz Schwarz from the Institute of Materials Chemistry of the
Vienna University of Technology . The first public release of the code was done in 1990 [ [http://dx.doi.org/10.1016/0010-4655(90)90187-6 P. Blaha, K. Schwarz, P. Sorantin, and S. B. Trickey, Comput. Phys. Commun. 59, 399 (1990).] ] . Then, the next releases were WIEN93, WIEN97, and WIEN2k [ [http://dx.doi.org/10.1016/S0927-0256(03)00112-5 K. Schwarz and P. Blaha, Comput. Mater. Sci. 28, 259 (2003).] ] .See also
*
Computational Chemistry
*Computational Physics
*Condensed Matter Physics
*Materials Science
*Quantum Chemistry
*Solid State Physics
*Theoretical Chemistry
*Quantum chemistry computer programs References
External links
[http://www.wien2k.at WIEN2k homepage]
Wikimedia Foundation. 2010.