deltaspin_lcao.h File Reference

#include "source_cell/unitcell.h"
#include "source_cell/klist.h"
#include "source_io/module_parameter/input_parameter.h"

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Namespaces
namespace	ModuleESolver
	The First-Principles (FP) Energy Solver Class.

Functions
template<typename TK >
void	ModuleESolver::init_deltaspin_lcao (const UnitCell &ucell, const Input_para &inp, void *pv, const K_Vectors &kv, void *p_hamilt, void *psi, void *dm, void *pelec)
	Initialize DeltaSpin for LCAO method.
template<typename TK >
void	ModuleESolver::cal_mi_lcao_wrapper (const int iter, const Input_para &inp)
	Calculate magnetic moments for DeltaSpin in LCAO method.
template<typename TK >
bool	ModuleESolver::run_deltaspin_lambda_loop_lcao (const int iter, const double drho, const Input_para &inp)
	Run DeltaSpin lambda loop for LCAO method.