Band Structure with wien2k ( TiC example ) HD

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. Band structure give a visual image of band gap, conduction and valence band. direct and indirect band gap can be differentiated visually from band structure diagram. Band structure for tic is calculated with simple gga and lda the simulation are carried out for titanium carbide the example is given in the user manual of wien2k.