write_eband_terms.hpp File Reference

#include "source_io/write_vxc.hpp"
#include "source_lcao/module_operator_lcao/ekinetic_new.h"
#include "source_lcao/module_operator_lcao/nonlocal_new.h"
#include "source_basis/module_nao/two_center_bundle.h"

Include dependency graph for write_eband_terms.hpp:

This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Namespaces
namespace	ModuleIO
	This class has two functions: restart psi from the previous calculation, and write psi to the disk.

Functions
template<typename TK , typename TR >
void	ModuleIO::write_eband_terms (const int nspin, const int nbasis, const int drank, const Parallel_Orbitals *pv, const psi::Psi< TK > &psi, const UnitCell &ucell, Structure_Factor &sf, surchem &solvent, const ModulePW::PW_Basis &rho_basis, const ModulePW::PW_Basis &rhod_basis, const ModuleBase::matrix &vloc, const Charge &chg, Gint_Gamma &gint_gamma, Gint_k &gint_k, const K_Vectors &kv, const ModuleBase::matrix &wg, Grid_Driver &gd, const std::vector< double > &orb_cutoff, const TwoCenterBundle &two_center_bundle)