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Software - WIEN2k

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WIEN2k

The 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.
 
Support site:
http://susi.theochem.tuwien.ac.at/
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