deltaspin_pw.h File Reference

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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.