Ok, now you need to create a directory containing all the files you need to run vertex.
You will need a copy of the correct endmember file, solution model file and preferably also an option file.
If you want to use Lars Stixrude’s dataset, stx11ver.dat is the endmember file, stx11_solution_model.dat is the solution model file, and copy the perplex_option.dat file too (you may wish to change some of the options at some point, and it’s always good to store a new copy of this file in each directory).
Then, you will either need to create a new input file using PerpleX-build, or edit an existing file. I’ve attached a file for a pyrolite to this message (if you use this, you will need to rename pyrolite.txt to pyrolite.dat). I strongly recommend that you take the time to understand the contents of this file, so that you know which bits to edit. This file will be used to calculate properties between 1-0.3e6 bar (0.0001-30 GPa) and 1400-2200 K.
After doing this, run PerpleX-vertex to compute all of the properties you need. This will take a few minutes.
Finally, run create_burnman_readable_perplex_table.py in the same directory. This will create an output file that burnman can read and process.
And that should be everything! PerpleX is pretty awesome software.
Let me know if you have any problems. Sometimes PerpleX-werami spits out NaNs in the file created by create_burnman_readable_perplex_table.py. You may need to change these to some sensible number (I usually copy-paste the values from the preceding or following rows; the NaNs are usually not in important parts of P-T space, so it doesn’t matter too much which numbers you use).
pyrolite.txt (2.3 KB)
