THERMOCALC download guide

This page will guide you through the downloads needed before you can start running phase equilibrium calculations in THERMOCALC.

You will need all five of the following, which can be obtained via the links below:

A example set of THERMOCALC downloads, ready to start a calculation. (The user might choose to keep THERMOCALC elsewhere and call it via the command line.)

THERMOCALC software

You can download an executable file of the latest THERMOCALC for Windows or Mac here.

Input files for controlling/scripting

Two control files tell THERMOCALC which thermodynamic input files to use and which calculations to do:

  • tc-prefs.txt is read automatically by THERMOCALC at start-up. It tells THERMOCALC which dataset file (tc-ds<version>.txt), and scriptfile (tc-<project>.txt), to use, and what kind of calculation to do (phase diagram, thermobarometry etc).
  • The scriptfile, tc-<project>.txt, tells THERMOCALC which axfile to read (tc-<system>.txt, containing the x-eos details), and may contain information on precisely which calculations to do.

Download a prefs and script file:

A wide variety of scripts (commands) can be used in the scriptfile. Many of these can be seen in the documentation and tutorials below. If THERMOCALC can’t find a script that it needs, it will ask the user for interactive input.

Thermodynamic input files

Two files of thermodynamic data tell THERMOCALC how to construct the x-eos (thermodynamic models of phases) that will be used in calculations:

  • the dataset file, tc-ds<version>.txt, containing optimised thermodynamic properties for all the end-members in the Holland & Powell dataset (currently around 300).
  • the axfile, tc-<system>.txt, containing an x-eos description for each phase. The x-eos description comprises the activity-composition relations plus instructions for constructing each end-member from one or more dataset end-members.

The x-eos that are in current use were calibrated in families, or sets, focused on particular geological contexts (find out more here). The different sets may be accompanied by slightly different versions of the evolving Holland & Powell dataset. To download the right thermodynamic input files, choose from the list below:

or find out how to choose the right HPx-eos family here.


You now have your THERMOCALC software, two control files and two thermodynamic input files, and are ready to go!


References

Green et al (2016) J Metamorph Geol 34 845-892. Holland et al (2018) J Petrol 59 881-900. White et al (2014) J Metamorph Geol 32 261-286.