---
# System prepended metadata

title: Creating Perple_X lookup  tables
tags: [Perple_x]

---

# Creating Perple_X lookup  tables
Here is a brief workflow note for building the Wet Basalt $\to$ Dry Eclogite phase transition model for ASPECT.

🌊 Workflow: build $\to$  vertex $\to$ werami

🌏 Objective: Create a look-up table where oceanic crust/basalt (low density) dehydrates into Eclogite (high density) at depth, driving slab pull.

:::success
[Perple_x file format](https://perplex.ethz.ch/perplex/faq/Perple_X_tab_file_format.txt)
:::

## 1. Build

### start to build project

```
> build            

Perple_X release 7.1.6, Jan 21, 2024.

Copyright (C) 1986-2023 James A D Connolly <www.perplex.ethz.ch/copyright.html>.


NO is the default (blank) answer to all Y/N prompts
```
### project name
```
Enter a name for this project (the name will be used as the
root for all output file names) [default = my_project]:
> basalt_wet

The problem definition file will be named: basalt_wet.dat                                                                                      
```
### thermodynamic data file
```
Enter thermodynamic data file name [default = hp02ver.dat]:
> hp62ver.dat

Enter the computational option file name [default = perplex_option.dat]:
See: www.perplex.ethz.ch/perplex_options.html

>
Warning: the Perple_X option file: perplex_option.dat                         
was not found, default option values will be used.
```

### compositions

```
The current data base components are:
 Na2O  MgO   Al2O3 SiO2  K2O   CaO   TiO2  MnO   FeO   NiO   ZrO2  Cl2  
 O2    H2O   CO2   CuO   Cr2O3 S2    F2    N2    ZnO  
Transform them (Y/N)? 
> N

Specify computational mode:

     1 - Convex-Hull minimization
     2 - Constrained minimization on a 2d grid [default]
     3 - Constrained minimization on a 1d grid
     4 - Output pseudocompound data
     5 - 1-d Phase fractionation
     6 - 0-d Infiltration-reaction-fractionation
     7 - 2-d Phase fractionation (FRAC2D and TITRATE reactive transport models)
     8 - (pseudo-)Ternary liquidus/solidus surfaces

Use Convex-Hull minimization for Schreinemakers projections or phase diagrams
with > 2 independent variables. Use constrained minimization for phase diagrams
or phase diagram sections with < 3 independent variables.
> 2

Calculations with a saturated fluid (Y/N)?
> N

Calculations with saturated components (Y/N)?
> N

Use chemical potentials, activities or fugacities as independent
variables (Y/N)?
> N

Select thermodynamic components from the set:
 Na2O  MgO   Al2O3 SiO2  K2O   CaO   TiO2  MnO   FeO   NiO   ZrO2  Cl2  
 O2    H2O   CO2   CuO   Cr2O3 S2    F2    N2    ZnO  
Enter names, 1 per line, press <enter> to finish:
> SiO2                                                
> TiO2
> Al2O3
> FeO
> MnO
> MgO
> CaO
> Na2O
> K2O
> H2O
```

#### H2O related

```
Because the thermodynamic data file identifies: H2O  
as special components, you will be prompted next for the EoS to be used for 
the corresponding composants and mixtures thereof. To override this behavior, 
e.g., to use a generic hybrid fluid EoS (GFSM) either:

  set/add the GFSM option to T in your option file

  or delete the special_component section from the thermodynamic data file header.

Select fluid equation of state:

   0 - X(CO2) H2O-CO2 Modified Redlich-Kwong (MRK) DeSantis et al 74  
   1 - X(CO2) H2O-CO2 HSMRK Kerrick & Jacobs 81                       
   2 - X(CO2) H2O-CO2 MRK hybrid-EoS*                                 
   5 - X(CO2) H2O-CO2 CORK Holland & Powell 91, 98                    
   8 - f(O2/CO2) C-buffered COH MRK hybrid-EoS*                       
  10 - X(O) C-buffered COH MRK hybrid-EoS Connolly & Cesare 93*       
  12 - X(O)-f(S2) C-buffered COHS MRK hybrid-EoS Connolly & Cesare 93*
  13 - X(H2) H2O-H2 MRK hybrid-EoS*                                   
  14 - X(CO2) H2O-CO2 Pitzer & Sterner 94; Holland & Powell mixing 03 
  15 - X(H2) H2O-H2 low T MRK hybrid-EoS*                             
  16 - X(O) H-O MRK hybrid-EoS*                                       
  17 - X(O)-f(S2) H-O-S MRK hybrid-EoS*                               
  19 - X(O)-X(S) C-buffered COHS MRK hybrid-EoS Connolly & Cesare 93* 
  20 - X(O)-X(C) COHS MRK hybrid-EoS Connolly & Cesare 93*            
  24 - f(O2/CO2)-N/C C-buffered COHN MRK hybrid-EoS*                  
  25 - X(CO2)-X(NaCl) H2O-CO2-NaCl Aranovich et al 10                 
  26 - X(O) O-Si MRK Connolly 16                                      
  27 - X(O)-X(C) C-O-H MRK hybrid-EoS*                                

*Hybrid EoS use the following pure species EoS, to change these associations
modify the hybrid_EoS keywords in the perplex_option file:

       H2O  - PSEoS Pitzer & Sterner 1994     
       CO2  - PSEoS Pitzer & Sterner 1994     
       CH4  - MRK DeSantis et al 1974         
> 5

```

### P-T condition

```
The data base has P(bar)   and T(K)     as default independent potentials.
Make one dependent on the other, e.g., as along a geothermal gradient (y/n)? 
N

Select x-axis variable:
     1 - P(bar)  
     2 - T(K)    
     3 - Composition X_C1* (user defined)

*X_C1 can not be selected as the y-axis variable

> 2

Enter minimum and maximum values, respectively, for: T(K)    
> 273
> 1600

Enter minimum and maximum values, respectively, for: P(bar)  
> 1
> 100000  #(~300km)
```
### grid 
```
For gridded minimization, grid resolution is determined by the number of levels
(grid_levels) and the resolution at the lowest level in the X- and Y-directions (x_nodes
and y_nodes) these parameters are currently set for the exploratory and autorefine cycles
as follows:

stage        grid_levels  xnodes  ynodes    effective resolution
exploratory       1          10      10        10 x  10 nodes
auto-refine       4          40      40       313 x 313 nodes

To change these options edit or create the file perplex_option.dat                                                                                  
See: www.perplex.ethz.ch/perplex_options.html#grid_parameters

```


### molar amount of components

```

Specify component amounts by mass (Y/N)?
> N

```

```
The amounts you enter next need not be normalized; regardless of units, they
define the molar amount of the system


Enter the molar amounts of the components:
 SiO2  TiO2  Al2O3 FeO   MnO   MgO   CaO   Na2O  K2O   H2O  
for the bulk composition of interest:
> 50.5 1.5 15.5 10.5 0.15 7.5 11.5 2.8 0.1 2.0
```

### solution


```
**warning ver056** the EoS specified for H2O      by the hybrid_EoS option will be
overridden by the EoS specified in the problem definition file. To prevent this
behavior set the GFSM option to True.


Exclude pure and/or endmember phases (Y/N)?
N
```
### solution model
```
Include solution models (Y/N)?
Y
Enter the solution model file name [default = solution_model.dat]: 
```
```
...
...

**warning ver114** the following endmembers are missing for Opx(TH)   

  crjd_d    crdi_d    ness_d    cess_d    ojdTH     ffbuf_d   obufTH    crfs_d    crenTH    facm_d    macmTH  



**warning ver114** the following endmembers are missing for Cpx(TH)   

  mkbuf_d   mnbuf_d   mcbufTH   crkjd_d   crjd_d    crdiTH    kess_d    ness_d    cessTH    kjdTH     ffbuf_d   mmbuf_d   crfs_d    cren_d    fess_d    mess_d  



Select models from the following list, enter 1 per line, press <enter> to finish

clinohumite models:       TiCh(PL)   Chum      
ternary-feldspar models:  feldspar   feldspar_B Pl(I1,HP)  Fsp(C1)    Fsp(HGP21)
clinoamphibole models:    cAmph_I(G) cAmph(G)   Cumm       Gl         Tr        
                          Act(M)     cAmph(DP)  cAmph_I(DP GlTrTsMr   Ca-Amph(D)
                          Na-Amph(D) GlTrTsPg   Amph(DHP)  Amph(DPW) 
clinopyroxene models:     Cpx_I(HGP) Cpx(HGP)   Augite(G)  Cpx(JH)    Cpx(l)    
                          Cpx(h)     Cpx(stx)   Cpx(stx7)  Omph(HP)   Cpx(HP)   
                          Cpx(m)     Cpx(stx8)  Omph(GHP)  Cpx(TH)   
fluid models:             Aqfl(HGP)  COH-Fluid  COH-Fluid+ WADDAH     HOS-Fluid 
                          HO-Fluid  
liquid models:            melt(HGPH) melt(G)    Melt(JH)   Melt(A)    Melt(B)   
                          melt(W)    melt(HP)   melt(TH)  
chlorite models:          Chl(W)     Chl(HP)    Chl(LWV)  
olivine models:           O(JH)      O(SG)      O(HP)      O(HPK)     O(stx)    
                          O(stx7)    Ol(m)      O(stx8)    O(HGP)    
spinel models:            Sp(JH)     GaHcSp     Sp(JR)     Sp(GS)     Sp(HP)    
                          Sp(stx)    CrSp       Sp(stx7)   Sp(WPC)    Sp_II(WPC)
                          Sp(stx8)  
binary-feldspar models:   Pl(JH)     Pl(h)      San        San(TH)    Pl(stx8)  
garnet models:            Grt(JH)    Gt(W)      CrGt       Gt(MPF)    Gt(B)     
                          Gt(GCT)    Gt(HP)     Gt(EWHP)   Gt(WPH)    Gt(stx)   
                          Gt(stx8)   Gt(WPPH)   Maj        Gt(H)      Gt(HGP)   
                          ZrGt(KP)   Gt(TH)    
orthopyroxene models:     Opx(JH)    Opx(W)     Opx(HP)    CrOpx(HP)  Opx(stx)  
                          Opx(stx8)  Opx(HGP)   Opx(TH)   
white-mica models:        Mica(W)    Pheng(HP)  MaPa       Mica(CF)   Mica(CHA1)
                          Mica(CHA)  Mica+(CHA) Mica(M)    Mica(SGH) 
chloritoid models:        Ctd(W)     Ctd(HP)    Ctd(SGH)  
staurolite models:        St(W)      St(HP)    
biotite models:           Bi(W)      Bi(HGP)    Bio(TCC)   Bio(WPH)   Bio(HP)   
cordierite models:        Crd(W)     Crd(HGP)   hCrd      
sapphirine models:        Sa(WP)     Sapp(TP)   Sapp(HP)   Sapp(KWP) 
pumpellyite models:       Pu        
osumilite models:         Osm(HP11) 
carpholite models:        Carp       Carp(M)    Carp(SGH) 
sudoite models:           Sud(Livi)  Sud        Sud(M)    
orthoamphibole models:    Anth       oAmph(DP)  o-Amph    
stilpnomelane models:     Stlp      
ilmenite models:          IlHm(A)    IlGkPy     Aki        Ilm(WPH)   Ilm(DS6)  
feldspathoid models:      Neph(FB)  
alphabet-phase models:    A-phase   
brucite models:           B         
wadleysite models:        Wad       
ringwoodite models:       Ring       Ring(H)   
wuestite models:          Wus       
perovskite models:        Pv        
ferropericlase models:    Fper(H)   
MgSi Perovskite models:   Mpv(H)    
CaSi Perovskite models:   Cpv(H)    
Corundum models:          Cor(H)    
Akimotoite models:        Aki(H)    
wadsleyite models:        Wad(H)    
HP_clinopyroxene models:  Hpx(H)    
talc models:              T         
serpentine models:        Atg(PN)   

For details on these models see: www.perplex.ethz.ch/perplex_solution_model_glossary.html
or read the commentary in the solution model file.
```

```
> Omph(GHP)
Gt(W)
Pl(h)
cAmph(DP)
Chl(W)
Opx(HP)
Cpx(HP)
Sp(HP)
Mica(W)
```

### get file `basalt_wet.dat`
```
hp62ver.dat     thermodynamic data file                                                                                                     
print    | no_print suppresses print output
plot     | obsolete 6.8.4+
solution_model.dat     | solution model file, blank = none                                                                                                                                                                                                      
BASALT                                                                                                                                                                                                                                                          
perplex_option.dat     | Perple_X option file                                                                                                                                                                                                                   
    5 calculation type: 0- composition, 1- Schreinemakers, 2 - liquidus/solidus, 3- Mixed, 5- gridded min, 7- 1d fract, 8- gwash, 9- 2d fract, 10- 7 w/file input, 11- 9 w/file input, 12- 0d infiltration
    0 unused place holder, post 06
    0 unused place holder, post 06
    0 unused place holder, post 06
    0 unused place holder, post 06
    0 unused place holder, post 06
    0 unused place holder, post 06
    0 unused place holder, post 06
    0 unused place holder, post 06
    0 unused place holder, post 06
    0 number component transformations
   21 number of components in the data base
    0 component amounts, 0 - mole, 1 mass
    0 unused place holder, post 06
    0 unused place holder, post 06
    0 unused place holder, post 05
    5 ifug EoS for saturated phase
    2 gridded minimization dimension (1 or 2)
    0 special dependencies: 0 - P and T independent, 1 - P(T), 2 - T(P)
 0.00000      0.00000      0.00000      0.00000      0.00000     Geothermal gradient polynomial coeffs.

begin thermodynamic component list
SiO2  1  50.5000      0.00000      0.00000     molar amount
TiO2  1  1.50000      0.00000      0.00000     molar amount
Al2O3 1  15.5000      0.00000      0.00000     molar amount
FeO   1  10.5000      0.00000      0.00000     molar amount
MnO   1 0.150000      0.00000      0.00000     molar amount
MgO   1  7.50000      0.00000      0.00000     molar amount
CaO   1  11.5000      0.00000      0.00000     molar amount
Na2O  1  2.80000      0.00000      0.00000     molar amount
K2O   1 0.100000      0.00000      0.00000     molar amount
H2O   1  2.00000      0.00000      0.00000     molar amount
end thermodynamic component list


begin saturated component list
end saturated component list


begin saturated phase component list
end saturated phase component list


begin independent potential/fugacity/activity list
end independent potential list


begin excluded phase list
end excluded phase list


begin solution phase list
Omph(GHP) 
Gt(W)     
Pl(h)     
Chl(W)    
Opx(HP)   
Cpx(HP)   
Sp(HP)    
Mica(W)   
end solution phase list

   100000.        1600.00        0.00000        0.00000        0.00000     max p, t, xco2, mu_1, mu_2
   1.00000        273.000        0.00000        0.00000        0.00000     min p, t, xco2, mu_1, mu_2
   0.00000        0.00000        0.00000        0.00000        0.00000     unused place holder post 06

 2  1  4  5  3   indices of 1st & 2nd independent & sectioning variables
```

---

## 2. vertex

### vertex: thermodynamic calculation
```
> vertex
Perple_X release 7.1.6, Jan 21, 2024.

Copyright (C) 1986-2023 James A D Connolly <www.perplex.ethz.ch/copyright.html>.

Enter the project name (the name assigned in BUILD) [default = my_project]:

> basalt_wet
```

working and running...wait a few minutes
```
...

Reading problem definition from file: basalt_wet.dat                                                                                      
Reading thermodynamic data from file: hp62ver.dat                                                                                         
Writing print output to file: basalt_wet.plt                                                                                      
Writing plot output to file: basalt_wet.plt                                                                                      
Writing phase assemblage data to file: basalt_wet.blk                                                                                      
Reading solution models from file: solution_model.dat                                                                                  

Warning: the Perple_X option file: perplex_option.dat                                                                                  
was not found, default option values will be used.

Writing auto refine summary to: not requested                                                                                       
Writing seismic data options to: basalt_wet_seismic_data.txt                                                                         
Writing pseudocompound glossary to: not requested                                                                                       
Writing Perple_X option summary to: not requested                                                                                       

Perple_X computational option settings for VERTEX:
...
...
...

       ...working (  7252 minimizations done)
       ...working (  7754 minimizations done)
       ...working (  8256 minimizations done)
       refinement at level 4 involved   8387 minimizations
 15276 minimizations required of the theoretical limit of   98596
--------------------------------------------------------------------------------
     Timing                    min.         % of total

  Static G calculation       0.38352E-01         1.4
  Dynamic G calculation      0.57926            21.8
  Static LP                  0.12838E-01         0.5
  Dynamic LP                 0.92087            34.6
  Successive QP               1.0738            40.4
  Total of above              2.6251            98.7
  Total elapsed time          2.6587           100.0
--------------------------------------------------------------------------------

End of job: basalt_wet                                                                                          

--------------------------------------------------------------------------------

    65923791

```

### get files

```
basalt_wet.arf
basalt_wet.blk
basalt_wet.plt
basalt_wet.prn
basalt_wet.tim
basalt_wet.tof
basalt_wet_auto_refine.txt
basalt_wet_seismic_data.txt
```

## 3. werami

### werami
```
> werami

Perple_X release 7.1.6, Jan 21, 2024.

Copyright (C) 1986-2023 James A D Connolly <www.perplex.ethz.ch/copyright.html>.

Enter the project name (the name assigned in BUILD) [default = my_project]:
> basalt_wet

Warning: the Perple_X option file: perplex_option.dat                                                                                  
was not found, default option values will be used.

Writing Perple_X option summary to: not requested                                                                                       

Perple_X computational option settings for WERAMI:

    Keyword:               Value:     Permitted values [default]:

  Input/Output options:

    aqueous_output          T         [F] T
    aqeuous_species         20        [20] 0-150
    aq_solvent_composition  y         [y] m: y => mol fraction, m => molality
    aq_solute_composition   m         y [m]: y => mol fraction, m => molality
    spreadsheet             T         [F] T
    logarithmic_p           F         [F] T
    logarithmic_X           F         [F] T
    bad_number             NaN        [NaN]
    composition_constant    F         [F] T
    composition_phase       mol       [mol] wt
    composition_system      wt        [wt] mol
    proportions             vol       [vol] wt mol
    absolute                F         [F] T
    cumulative              F         [F] T
    fancy_cumulative_modes  F         [F] T
    interpolation           on        [on] off 
    melt_is_fluid           T         [T] F
    solution_names          mod       [model] abbreviation full
    structural_formulae     T         [T] F
    output_species          T         [T] F
    output_species_props    F         [F] T
    seismic_output          som       [some] none all
    poisson_test            F         [F] T
    interim_results         aut       [auto] off manual
    sample_on_grid          T         [T] F

  Information file output options:

    option_list_files       F         [F] T; echo computational options

  Thermodynamic options:

    approx_alpha            T         [T] F
    Anderson-Gruneisen      F         [F] T
    hybrid_EoS_H2O             4      [4] 0-2, 4-7
    hybrid_EoS_CO2             4      [4] 0-4, 7
    hybrid_EoS_CH4             0      [0] 0-1, 7
    fd_expansion_factor     2.0       [2] >0
    finite_difference_p     0.1E+05   [1d4] >0; fraction = 0.1E-02   [1d-2]

  Seismic wavespeed computational options:

    seismic_data_file       T         [F] T
    bounds                  VRH       [VRH] HS
    vrh/hs_weighting        0.5       [0.5] 0->1
    explicit_bulk_modulus   T         [T] F
    poisson_ratio           on        [on] all off; Poisson ratio = 0.35
    seismic_output          som       [some] none all
    poisson_test            F         [F] T
    Tisza_test              F         [F] T
    fluid_shear_modulus     T         [T] F
    phi_d                   0.36      [0.36] 0->1

  Error/warning control options:

    pause_on_error          T         [T] F
    max_warn_limit            5       [5]
    warn_interactive        T         [T] F
    aq_error_ver100         F         [F] T, abort during iteration
    aq_error_ver101         T         [T] F, solute undersaturation abort
    aq_error_ver102         T         [T] F, pure + impure solvent abort
    aq_error_ver103         T         [T] F, out-of-range HKF g abort
    aq_error_ver104         T         [T] F, abort on failed respeciation
    warning_ver637          T         [T] F
    error_ver109            T         [T] F
    do_not_reset_options    F         [F] T, prevents automatic resets

To change these options see: www.perplex.ethz.ch/perplex_options.html


**warning ver056** the EoS specified for H2O      by the hybrid_EoS option will be
overridden by the EoS specified in the problem definition file. To prevent this
behavior set the GFSM option to True.

--------------------------------------------------------------------------------
Select operational mode:
    1 - properties at specified conditions
    2 - properties on a 2d grid
    3 - properties along a 1d path
    4 - as in 3, but input from file

> 2

```

### select what to plot

```
Select a property:
    1 - Specific Enthalpy (J/m3)                                    
    2 - Density (kg/m3)                                             
    3 - Specific heat capacity (J/K/m3)                             
    4 - Expansivity (1/K, for volume)                               
    5 - Compressibility (1/bar, for volume)                         
    6 - Composition (Mol, Mass, or Wt%) of the system               
    7 - Mode (Vol, Mol, or Wt proportion) of a phase                
    8 - Composition (Mol, Mass, or Wt%) of a solution phase         
    9 - Grueneisen thermal ratio                                    
   10 - Adiabatic bulk modulus (bar)                                
   11 - Adiabatic shear modulus (bar)                               
   12 - Sound velocity (km/s)                                       
   13 - P-wave velocity (Vp, km/s)                                  
   14 - S-wave velocity (Vs, km/s)                                  
   15 - Vp/Vs                                                       
   16 - Specific entropy (J/K/m3)                                   
   17 - Entropy (J/K/kg)                                            
   18 - Enthalpy (J/kg)                                             
   19 - Heat Capacity (J/K/kg)                                      
   20 - Specific mass of a phase (kg/m3-system)                     
   21 - Poisson ratio                                               
   22 - Molar Volume (J/bar)                                        
   23 - Dependent potentials (J/mol, bar, K)                        
   24 - Assemblage Index                                            
   25 - Modes of all phases                                         
   26 - Sound velocity T derivative (km/s/K)                        
   27 - P-wave velocity T derivative (km/s/K)                       
   28 - S-wave velocity T derivative (km/s/K)                       
   29 - Adiabatic bulk modulus T derivative (bar/K)                 
   30 - Shear modulus T derivative (bar/K)                          
   31 - Sound velocity P derivative (km/s/bar)                      
   32 - P-wave velocity P derivative (km/s/bar)                     
   33 - S-wave velocity P derivative (km/s/bar)                     
   34 - Adiabatic bulk modulus P derivative (unitless)              
   35 - Shear modulus P derivative (unitless)                       
   36 - All phase &/or system properties                            
   37 - Absolute amount (Vol, Mol, or Wt) of a phase                
   38 - Multiple property output                                    
   39 - Heat capacity ratio (Cp/Cv)                                 
   40 - Lagged or back-calculated aqueous solute chemistry          

```

```
> 2
Calculate individual phase properties (y/n)?
> N

```
:::success
2 (Density, kg/m³)

13 (P-wave velocity, Vp, km/s)

14 (S-wave velocity, Vs, km/s)

4 (Expansivity, 1/K)

19 (Heat Capacity, J/K/kg) — Note: Choose 19, not 3. ASPECT wants J/kg/K.

0 (Done)
:::
:::info
2 (Density): The most critical parameter. It drives the subduction (slab pull) and ensures phase changes (e.g., eclogitization) affect the dynamics.
13 & 14 (Vp, Vs): These allow you to output seismic tomography images to compare with real data.
4 (Expansivity, $\alpha$): Controls how much the rock expands when hot. ASPECT needs this to calculate thermal buoyancy.
19 (Heat Capacity, $C_p$): Controls how much energy is required to change the temperature. Essential for the temperature solver.
:::
Our gaol is to get properties of the bulk / system, not idividual minerals

continue for other items



```
Calculate individual phase properties (y/n)?
> n

Include fluid in computation of aggregate (or modal) properties (y/n)?
> n

Select an additional property or enter 0 to finish:
> 10

Calculate individual phase properties (y/n)?
> n

Include fluid in computation of aggregate (or modal) properties (y/n)?
> n

Select an additional property or enter 0 to finish:
> 13

Calculate individual phase properties (y/n)?
> n

Include fluid in computation of aggregate (or modal) properties (y/n)?
> n

Select an additional property or enter 0 to finish:
> 14

Calculate individual phase properties (y/n)?
> n

Include fluid in computation of aggregate (or modal) properties (y/n)?
> n

Select an additional property or enter 0 to finish:
> 13

Calculate individual phase properties (y/n)?
> n

Include fluid in computation of aggregate (or modal) properties (y/n)?
> n

Select an additional property or enter 0 to finish:
> 14

Calculate individual phase properties (y/n)?
> n

Include fluid in computation of aggregate (or modal) properties (y/n)?
> n

Select an additional property or enter 0 to finish:
> 15

Calculate individual phase properties (y/n)?
> 0

Include fluid in computation of aggregate (or modal) properties (y/n)?
> n

Select an additional property or enter 0 to finish:
> 0

Change default variable range (y/n)?
> N

Select the grid resolution (to use an arbitrary grid set sample_on_grid to F):

    1 -   40 x   40 nodes [default]
    2 -   79 x   79 nodes          
    3 -  157 x  157 nodes          
    4 -  313 x  313 nodes          
> 3

**warning ver538** use of multi-level grids may generate noise due to data
interpolation onto unpopulated nodes. If exceptional resolution is required set
grid_levels to 1 1 and change the 2nd value of x/y_nodesto obtain the desired resolution.

To disable [all] interactive warnings set warn_interactive to F.

Continue (y/n)?
> y


```

Runing ...
```
...
Data ranges excluding values equal to bad_number (       NaN) specified in perplex_option.dat:

     rho,kg/m3      Ks,bar         vp,km/s        vs,km/s       
min    2852.67        698404.        5.94673        2.85672     
max    3961.27       0.219583E+007   8.94813        4.29854     

Output has been written to the 2d tab format file: basalt_wet_2.tab                                                                                   

2d tab format files can be processed with:

     PSTABLE - a Perple_X plotting program
     PERPLE_X_PLOT - a MATLAB plotting script
     PYWERAMI - github.com/ondrolexa/pywerami
     spread-sheet programs, e.g., EXCEL

for details on tab format refer to:
     perplex.ethz.ch/perplex/faq/Perple_X_tab_file_format.txt

```

### get file `basalt_wet_2.dat`
```
> head -n 14 basalt_wet_2.tab
|6.6.6
basalt_wet_2.tab                                                                                    
           2
T(K)    
   273.00000000000000     
   17.012820512820515     
          79
P(bar)  
   1.0000000000000000     
   1282.0384615384614     
          79
           6
T(K)           P(bar)         rho,kg/m3      Ks,bar         vp,km/s        vs,km/s       
  273.000        1.00000        3470.59       0.122745E+007   7.14744        3.43352     
  
```

or 
### use python script provided by ASPECT

```
python3 create_aspect_readable_perplex_table_with_phase_volumes.py \
  --werami_path /Users/wanlin/Documents/Perple_X-7.1.6/src/werami \
  --project basalt_wet \
  --outfile tempbasalt \
  --n_pressures 100 \
  --n_temperatures 100 \
  --pressure_range 1 100000 \
  --temperature_range 273 1600

```

### get a file `basalt_wet_1.tab`

```
> head -n 14 basalt_wet_1.tab
|6.6.6
basalt_wet_1.tab                                                                                    
           2
T(K)    
   273.00000000000000     
   34.025641025641029     
          40
P(bar)  
   1.0000000000000000     
   2564.0769230769229     
          40
          52
T(K)           P(bar)         Gt(W)          Gt(W)          Opx(HP)        ky             tr             fanth          ab             ilm            gl_dqf         kjdh           Omph(GHP)      Omph(GHP)      sph            q              ru             fctd           Mica(W)        Mica(W)        ta             coe            tpz            cen            stv            hol            dsp            fst            phl            law            ts             Pl(h)          Pl(h)          cor            Cpx(HP)        naph           cz             san            fa             Chl(W)         Chl(W)         zo             Sp(HP)         H2O            lc             parg_dqf       usp            kcm            fa8L           dilm           jdL            faTL          
  273.000        1.00000        37.5089                 NaN   5.73712        15.3301        1.52366        1.89533        10.8757        2.47330        23.8235       0.832372                 NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN            NaN


```

## Plot out results
### phases diagram
![image](https://hackmd.io/_uploads/r1HzRf2W-e.png)


### material properties
![image](https://hackmd.io/_uploads/SJslTMnZZe.png)
