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WIEN2k

The program package WIEN2k allows to perform 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, one among the most accurate schemes for band structure calculations. WIEN2k is an all-electron scheme including relativistic effects and has many features.

homepage: http://www.wien2k.at/

version toolchain
19.2 intel/2020b
21.1 intel/2021a
21.1 intel/2021b
23.2 intel/2021b
24.1 intel/2023a

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