WIEN2k
Short Description: DFT for solids
Long Description: WIEN2k can be used for electronic structure calculations of solids using density functional theory (DFT). It is based on the full-potential (linearized) augmented plane-wave ((L)APW) + local orbitals (lo) method. WIEN2k is an all-electron scheme that includes relativistic effects.
Category: Applications - Scientific and Engineering: Chemical Engineering
Applications - Scientific and Engineering: Computational Chemistry
Vendor/Developer: Institute of Materials Chemistry, TU Vienna
Vendor Website: http://info.tuwien.ac.at/theochem/
Software Website: http://www.wien2k.at/index.html
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