ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
|
Go to the source code of this file.
Namespaces | |
namespace | hsolver |
Functions | |
double | hsolver::set_diagethr_ks (const std::string basis_type, const std::string esolver_type, const std::string calculation_in, const std::string init_chg_in, const std::string precision_flag_in, const int istep, const int iter, const double drho, const double pw_diag_thr_init, const double diag_ethr_in, const double nelec_in) |
double | hsolver::set_diagethr_sdft (const std::string basis_type, const std::string esolver_type, const std::string calculation_in, const std::string init_chg_in, const int istep, const int iter, const double drho, const double pw_diag_thr_init, const double diag_ethr_in, const int nband_in, const double stoiter_ks_ne_in) |
double | hsolver::reset_diag_ethr (std::ofstream &ofs_running, const std::string basis_type, const std::string esolver_type, const std::string precision_flag_in, const double hsover_error, const double drho_in, const double diag_ethr_in, const double nelec_in) |
double | hsolver::cal_hsolve_error (const std::string basis_type, const std::string esolver_type, const double diag_ethr_in, const double nelec_in) |