|---------------------------------------------------------------------- | Run-time Perple_X 6.6.8 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) approx_alpha T | use approximation exp(x)~1+x to evaluate expansivity effect on volume Anderson-Gruneisen F | Anderson-Gruneisen parameter correction for polythermal Murnaghan and Birch-Murnaghan auto_refine man | 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 1e-2 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 increment 0.1 0.025 | 0, <1; exploratory and autorefine initial_resolution 0.05 | >0, <1, default 1e-2 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] 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 pause_on_error T | T[rue] or F[alse], T => wait for user response after errors pc_perturbation 0d-3 | perturbation to pseudo-compound compositions, for Schreinemakers and Mixed-variable calculations 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 stoich | minimum, full, stoich, S+V, or everything reaction_list on | on or off seismic_output some | all, some, none short_print off | on or off site_check T | T[rue] or F[alse], T=> reject solution compositions with negative site fractions solution_names abb | 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 0.25 | 0->1 [0.25] speciation_tolerance 1d-3 | tolerance for order-disorder speciation calculations, >0,<1 [1d-3] 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 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 1 | 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