void write_dos_lcao(const psi::Psi< T > *psi, hamilt::Hamilt< T > *p_ham, const Parallel_Orbitals &pv, const UnitCell &ucell, const K_Vectors &kv, const int nbands, const elecstate::efermi &energy_fermi, const ModuleBase::matrix &ekb, const ModuleBase::matrix &wg, const double &dos_edelta_ev, const double &dos_scale, const double &bcoeff, const bool out_app_flag, const int istep, std::ofstream &ofs_running)
calculate density of states(DOS), partial density of states(PDOS), and mulliken charge for LCAO base
Definition write_dos_lcao.cpp:12