deltaspin_pw.cpp File Reference

#include "source_pw/module_pwdft/deltaspin_pw.h"
#include "source_lcao/module_deltaspin/spin_constrain.h"
#include "source_estate/module_charge/charge_mixing.h"
#include "source_io/module_parameter/parameter.h"

Include dependency graph for deltaspin_pw.cpp:

Namespaces
namespace	pw

Functions
bool	pw::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.
void	pw::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.