Definition charge_mixing.h:9
Definition deltaspin_pw.cpp:7
bool run_deltaspin_lambda_loop(const int iter, const double drho, const Input_para &inp)
Run the inner lambda loop for DeltaSpin method to constrain atomic magnetic moments.
Definition deltaspin_pw.cpp:9
void check_deltaspin_oscillation(const int iter, const double drho, Charge_Mixing *p_chgmix, const Input_para &inp)
Check if SCF oscillation occurs for DeltaSpin method.
Definition deltaspin_pw.cpp:44