| System Variables | suffix, calculation, esolver_type, symmetry, symmetry_prec, symmetry_autoclose, kpar, bndpar, latname, init_wfc, init_chg, init_vel, mem_saver, diago_proc, nbspline, kspacing, min_dist_coef, device, precision | system-variables.md |
| Input Files | stru_file, kpoint_file, pseudo_dir, orbital_dir, read_file_dir, restart_load, restart_save, wannier_card | input-files.md |
| Plane Wave | ecutwfc, ecutrho, nx/ny/nz, ndx/ndy/ndz, pw_seed, pw_diag_thr, pw_diag_nmax, pw_diag_ndim, fft_mode, erf_ecut, erf_height, erf_sigma, diago_smooth_ethr, use_k_continuity | plane-wave.md |
| LCAO | lmaxmax, nb2d, lcao_ecut, lcao_dk, lcao_dr, lcao_rmax, search_radius, search_pbc, bx/by/bz, elpa_num_thread, num_stream | lcao.md |
| Electronic Structure | basis_type, ks_solver, nbands, nbands_mul, nelec, nelec_delta, nupdown, dft_functional, xc_temperature, nspin, lspinorb, noncolin, soc_lambda, smearing_method, smearing_sigma, mixing_type, mixing_beta, mixing_ndim, mixing_gg0, scf_nmax, scf_thr, gamma_only, chg_extrap | electronic-structure.md |
| Geometry Relaxation | relax_method, relax_new, relax_nmax, relax_cg_thr, relax_scale_force, relax_bfgs_*, cal_force, cal_stress, force_thr, force_thr_ev, stress_thr, press1/2/3, fixed_axes, fixed_ibrav, fixed_atoms, cell_factor | geometry-relaxation.md |
| Output | out_level, out_alllog, out_chg, out_pot, out_wfc_*, out_dos, out_band, out_mul, out_stru, out_mat_*, restart_save, restart_load, out_interval, out_ndigits, towannier90 | output.md |
| Molecular Dynamics | md_type, md_nstep, md_dt, md_tfirst, md_tlast, md_restart, md_thermostat, md_tfreq, md_tchain, md_pmode, md_pcouple, md_pfirst, md_plast, msst_*, lj_*, dp_*, dump_* | molecular-dynamics.md |
| DFT+U | dft_plus_u, orbital_corr, hubbard_u, yukawa_potential, yukawa_lambda, uramping, omc, onsite_radius | dft-u.md |
| vdW Correction | vdw_method, vdw_s6, vdw_s8, vdw_a1, vdw_a2, vdw_d, vdw_abc, vdw_C6_file, vdw_R0_file, vdw_cutoff_*, vdw_cn_thr | vdw-correction.md |
| Exact Exchange | dft_functional, exx_hybrid_alpha, exx_hse_omega, exx_separate_loop, exx_hybrid_step, exx_*_threshold, exx_distribute_type, exx_real_number, exx_opt_orb_* | exact-exchange.md |
| TDDFT | td_vext, td_propagator, td_ttype, td_stype, td_gauss_*, td_trape_*, td_trigo_*, td_heavi_*, out_dipole, out_current, ocp, ocp_set | tddft.md |
| Berry Phase/Wannier90 | berry_phase, gdir, towannier90, wannier_card, wannier_method, wannier_spin, out_wannier_* | berry-phase.md |
| DeePKS | deepks_out_labels, deepks_scf, deepks_model, deepks_equiv, deepks_bandgap, deepks_v_delta, bessel_descriptor_* | deepks.md |
| OFDFT | of_kinetic, of_method, of_conv, of_tole, of_tolp, of_*_weight, of_wt_*, of_lkt_a, of_read_kernel, of_full_pw | ofdft.md |
| Electric Field | efield_flag, efield_dir, efield_amp, efield_pos_*, dip_cor_flag, gate_flag, zgate, block_* | electric-field.md |
| SDFT | method_sto, nbands_sto, nche_sto, emin_sto, emax_sto, seed_sto, initsto_*, npart_sto | sdft.md |
| DOS | out_dos, dos_edelta_ev, dos_sigma, dos_scale, dos_emin_ev, dos_emax_ev, dos_nche | dos.md |
| NAOs | bessel_nao_ecut, bessel_nao_rcut, bessel_nao_smooth, bessel_nao_sigma, bessel_nao_tolerence | naos.md |
| Debugging | t_in_h, vl_in_h, vnl_in_h, vh_in_h, vion_in_h, test_force, test_stress, test_skip_ewald | debugging.md |
| Conductivities | cal_cond, cond_che_thr, cond_dw, cond_wcut, cond_dt, cond_smear, cond_fwhm, cond_nonlocal | conductivities.md |
| Solvation | imp_sol, eb_k, tau, sigma_k, nc_k | solvation.md |
| QO Analysis | qo_switch, qo_basis, qo_strategy, qo_screening_coeff, qo_thr | qo-analysis.md |
| PEXSI | pexsi_npole, pexsi_inertia, pexsi_nmax, pexsi_ordering, pexsi_method, pexsi_mu*, pexsi_thr, pexsi_temp | pexsi.md |
| LR-TDDFT | xc_kernel, lr_solver, lr_thr, nocc, nvirt, lr_nstates, abs_wavelen_range, abs_broadening, ri_hartree_benchmark | lr-tddft.md |
| RDMFT | rdmft, rdmft_power_alpha | rdmft.md |
