WIEN2k
Sign in to saveThe WIEN2k package is a computer program written in Fortran that performs quantum mechanical calculations on periodic solids. It uses the full-potential (linearized) augmented plane-wave and local-orbitals [FP-(L)APW+lo] basis set to solve the Kohn–Sham equations of density functional theory.
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- Features and calculated properties
- See also
- References
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The WIEN2k package is a computer program written in Fortran that performs quantum mechanical calculations on periodic solids. It uses the full-potential (linearized) augmented plane-wave and local-orbitals [FP-(L)APW+lo] basis set to solve the Kohn–Sham equations of density 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. Then, the next releases were WIEN93, WIEN97, and WIEN2k. The latest version WIEN2k_24.1 was released in August 2024. It has been licensed by more than 3400 user groups and has about 16000 citations on Google scholar (Blaha WIEN2k).