Density of states (DOS) calculation with wien2k ( TiC example ) HD

17.09.2018
The WIEN2k package is a computer program written in Fortran which performs quantum mechanical calculations on periodic solids. It uses the full-potential augmented plane-wave and local-orbitals [FP-APW+lo] basis set to solve the Kohn–Sham equations of density functional theory. Density of states verses energy plot is simulated for titanium carbide TiC. the example is given in the user manual of wien2k simulation package.

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