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Atomic-orbital Based Ab-initio Computation at UStc
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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for toWannier90_PW, including all inherited members.
| alfa | toWannier90 | protected |
| cal_Amn(const psi::Psi< std::complex< double > > &psi_pw, const ModulePW::PW_Basis_K *wfcpw) | toWannier90_PW | |
| toWannier90::cal_Amn() | toWannier90 | |
| cal_band_index | toWannier90 | protected |
| cal_Mmn(const psi::Psi< std::complex< double > > &psi_pw, const ModulePW::PW_Basis_K *wfcpw) | toWannier90_PW | |
| toWannier90::cal_Mmn() | toWannier90 | |
| cal_num_kpts | toWannier90 | protected |
| calculate(const UnitCell &ucell, const ModuleBase::matrix &ekb, const ModulePW::PW_Basis_K *wfcpw, const ModulePW::PW_Basis_Big *bigpw, const K_Vectors &kv, const psi::Psi< std::complex< double > > *psi) | toWannier90_PW | |
| calculate(const UnitCell &ucell, const ModuleBase::matrix &ekb, const ModulePW::PW_Basis_K *wfcpw, const ModulePW::PW_Basis_Big *bigpw, const K_Vectors &kv, const psi::Psi< double > *psi) | toWannier90_PW | inline |
| toWannier90::calculate() | toWannier90 | |
| dn_con | toWannier90 | protected |
| dx | toWannier90_PW | protected |
| exclude_bands | toWannier90 | protected |
| gamma_only_wannier | toWannier90 | protected |
| gen_radial_function_in_q(std::vector< ModuleBase::matrix > &radial_in_q) | toWannier90_PW | protected |
| get_trial_orbitals_lm_k(const int &orbital_L, const int &orbital_m, const ModuleBase::matrix &ylm, const ModuleBase::Vector3< double > *gk, const int &npw, double *radial_in_q_single, std::complex< double > *orbital_in_G_single) | toWannier90_PW | protected |
| integral(const int meshr, const double *psir, const double *r, const double *rab, const int &l, double *table) | toWannier90_PW | protected |
| L | toWannier90 | protected |
| m | toWannier90 | protected |
| mesh_r | toWannier90_PW | protected |
| nncell | toWannier90 | protected |
| nnkpfile | toWannier90 | protected |
| nnlist | toWannier90 | protected |
| nntot | toWannier90 | protected |
| num_bands | toWannier90 | protected |
| num_exclude_bands | toWannier90 | protected |
| num_kpts | toWannier90 | protected |
| num_wannier | toWannier90 | protected |
| omega | toWannier90_PW | protected |
| out_eig(const ModuleBase::matrix &ekb) | toWannier90 | |
| out_unk(const psi::Psi< std::complex< double > > &psi_pw, const ModulePW::PW_Basis_K *wfcpw, const ModulePW::PW_Basis_Big *bigpw) | toWannier90_PW | |
| toWannier90::out_unk() | toWannier90 | |
| out_wannier_amn | toWannier90 | protected |
| out_wannier_eig | toWannier90 | protected |
| out_wannier_mmn | toWannier90 | protected |
| out_wannier_unk | toWannier90 | protected |
| out_wannier_wvfn_formatted | toWannier90 | protected |
| produce_trial_in_pw(const psi::Psi< std::complex< double > > &psi_pw, const int &ik, const ModulePW::PW_Basis_K *wfcpw, const std::vector< ModuleBase::matrix > &radial_in_q, ModuleBase::ComplexMatrix &trial_orbitals_k) | toWannier90_PW | protected |
| R_centre | toWannier90 | protected |
| read_nnkp(const UnitCell &ucell, const K_Vectors &kv) | toWannier90 | |
| rvalue | toWannier90 | protected |
| set_tpiba_omega(const double &tpiba, const double &omega) | toWannier90_PW | |
| spin_eig | toWannier90 | protected |
| spin_qaxis | toWannier90 | protected |
| start_k_index | toWannier90 | protected |
| toWannier90() | toWannier90 | |
| toWannier90(const bool &out_wannier_mmn, const bool &out_wannier_amn, const bool &out_wannier_unk, const bool &out_wannier_eig, const bool &out_wannier_wvfn_formatted, const std::string &nnkpfile, const std::string &wannier_spin) | toWannier90 | |
| toWannier90_PW(const bool &out_wannier_mmn, const bool &out_wannier_amn, const bool &out_wannier_unk, const bool &out_wannier_eig, const bool &out_wannier_wvfn_formatted, const std::string &nnkpfile, const std::string &wannier_spin) | toWannier90_PW | |
| tpiba | toWannier90_PW | protected |
| try_read_nnkp(const UnitCell &ucell, const K_Vectors &kv) | toWannier90 | protected |
| unkdotkb(const psi::Psi< std::complex< double > > &psi_pw, const ModulePW::PW_Basis_K *wfcpw, const int &ik, const int &ikb, const ModuleBase::Vector3< double > G, ModuleBase::ComplexMatrix &Mmn) | toWannier90_PW | protected |
| unkdotW_A(const psi::Psi< std::complex< double > > &psi_pw, const ModulePW::PW_Basis_K *wfcpw, const int &ik, const std::vector< ModuleBase::matrix > &radial_in_q, ModuleBase::ComplexMatrix &Amn) | toWannier90_PW | protected |
| up_con | toWannier90 | protected |
| wannier_file_name | toWannier90 | protected |
| wannier_spin | toWannier90 | protected |
| x_axis | toWannier90 | protected |
| x_min | toWannier90_PW | protected |
| z_axis | toWannier90 | protected |
| ~toWannier90() | toWannier90 | |
| ~toWannier90_PW() | toWannier90_PW |
1.9.8