|---------------------------------------------------------------------- | Run-time Perple_X 6.7.9 options: | Comments must be preceeded by the "|" character. | Keywords and values are case sensitive! | For documentation refer to: | www.perplex.ethz.ch/perplex_options.html |---------------------------------------------------------------------- 1d_path 40 150 | exploratory and autorefine (grid parameters keyword group) Anderson-Gruneisen F | Anderson-Gruneisen parameter correction for polythermal Murnaghan and Birch-Murnaghan approx_alpha T | use approximation exp(x)~1+x to evaluate expansivity effect on volume aqueous_output T | T[rue] or F[alse], output back-calculated solute chemistry when electrolyte data is available aqueous_species 20 | maximum number of solute species output (ranked by concentration) aq_solvent_composition y | y -> mole fractions, m -> molality; default y aq_solute_composition m | y -> mole fractions, m -> molality; default m auto_refine aut | auto, manual, or off (auto_refine keyword group) auto_refine_factor_I 2 | refine factor for gridded minimization and phase fractionation (auto_refine keyword group) auto_refine_factor_II 6 | refine factor for composition and mixed variable diagrams (auto_refine keyword group) auto_refine_factor_III 2 | refine factor for Schreinemakers diagrams (auto_refine keyword group) auto_refine_file F | echo auto-refine data to my_project_auto_refine.txt bad_number NaN | any number or NaN (not-a-number) bounds VRH | [VRH] HS; Voigt-Reuss-Hill or Hashin-Shtrikman, see vrh/hs_averaging closed_c_space T | T[rue] or F[alse], default is T => closed composition space for gridded minimization composition_constant F | T[rue] or F[alse], default is F; allows constants in composition expressions composition_phase mol | mol or wt; phase compositions in WERAMI output composition_system wt | mol or wt; system composition in WERAMI mode 2-4 output console_messages on | on or off dependent_potentials on | on or off efficiency 3 | 1->5 explicit_bulk_modulus T | T[rue] or F[alse], default is F; T => use explicit function for K if available fd_expansion_factor 2 | [2], nth order finite difference increment is increased by fd_expansion_factor^(n-1) final_resolution 2.5e-4 2.5e-4 | >0, <1, default 1e-3; exploratory and autorefine finite_difference_p 1d4 1d-2 | threshold [1d4] and fraction [1d-2] for 1st order finite difference increment on pressure global_reach_increment 0 | >= 0; overridden by reach_factor specified in solution model file grid_levels 1 4 | exploratory and autorefine (grid parameters keyword group) hard_limits off | on or off; on => use compositional limits specified in solution model hybrid_EoS_H2O 4 | [4] 0-2, 4-5 => 0 - MRK, 1 HSMRK, 2 - CORK, 4 - PSEoS, 5 - Haar hybrid_EoS_CO2 4 | [4] 0-4 => 0 - MRK, 1 HSMRK, 2 - CORK, 3- Bottinga, 4 - PSEoS hybrid_EoS_CH4 1 | [1] 0-1 => 0 - MRK, 1 HSMRK increment 0.1 0.025 | 0, <1; exploratory and autorefine initial_resolution 1/15 | >0, <1, [1/15] interpolation on 2 | value 1: on or off [on]; value 2, 1->99 [2] iteration 3 4 | value 1: 2->99 [3]; value 2: 1->7 [4] lagged_aq_speciation T | T[rue] or F[alse], default is T linear_model on | on or off logarithmic_p F | T[rue] or F[alse], default is F melt_is_fluid F | T[rue] or F[alse], default is F option_list_files T | T[rue] or F[alse], T => echo run-time options to my_project_PROGRAM_options.txt order_check on | on or off, on => compare order-disorder solutions with fully ordered and disordered states output_iteration_G F | T[rue] or F[alse], T => print iteration G to monitor convergence during optimization pause_on_error T | T[rue] or F[alse], T => wait for user response after errors pc_perturbation 5d-3 | pseudo-compound composition perturbation for convexhull optimization poisson_ratio on 0.35 | value 1: on, off or all; value 2: 0->0.5; poisson ratio estimates for shear moduli poisson_test F | T[rue] or F[alse], default is F, T => use poisson ratio to check for valid results proportions vol | vol or wt; phase proportions pseudocompound_file F | echo static pseudocompound compositions to my_project_pseudocompound_list.txt reach_increment_switch on | all, on, off; default is on; all consumes more resources reaction_format minimum | minimum, full, stoich, S+V, or everything reaction_list off | on or off refinement_points_II 5 | > 0, # of metstable refinement points retained during 2nd phase of adaptive minimization seismic_output some | all, some, none short_print on | on or off solution_names mod | mod[el], abb[reviation], ful[l] solvus_tolerance auto | auto or 0->1 [0.05] should be > initial_resolution/auto_refine_factor solvus_tolerance_II 0.2 | 0->1 [0.2] speciation_factor 100 | >10, speciation precision = final resolution/speciation factor speciation_max_it 100 | max number of iterations permitted in speciation/order-disorder calculations species_output T | T[rue] or F[alse], T => output phase speciation in MEEMUM/WERAMI mode 1 output species_Gibbs_energies F | T[rue] or F[alse], T => output species Gibbs energies in MEEMUM/WERAMI mode 1 output spreadsheet T | T[rue] or F[alse], T => include independent variable values in werami tab output files stretch_factor 0.016 | >0, <1 subdivision_override off | off, linear, or stretch T_melt 873. | melt solution model endmember temperature (K) cut off T_stop 0. | equilibration temperature (K) cut off variance 1 99 | 1->99; exploratory and autorefine vrh/hs_weighting 0.5 | 0->1, weighting factor for the stiff average in VRH/HS averaging (see bounds) x_nodes 40 60 | exploratory and autorefine (grid parameters keyword group) y_nodes 40 60 | exploratory and autorefine (grid parameters keyword group) zero_mode 1e-6 | 0->1 zero_bulk 1e-6 | 0->1