Download THERMOCALC software

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On this page you can download the THERMOCALC software (© Roger Powell and Tim Holland), compatible with

  • Windows
  • MacOS 10.6 (Snow Leopard) – 10.15 (Catalina)
  • Linux (compiled under Ubuntu 18.04).

Versions of THERMOCALC available here are

  • version 3.47: stable release
  • version 3.50: beta version – but recommended for new users, as the user is unlikely to notice further changes

Axfile formats are new in both of these versions, so you will need to download new thermodynamic input files if you’ve been working in THERMOCALC prior to version 3.47.

In theory, all versions of THERMOCALC should give the same answer if you run the same calculation with the same HPx-eos. In practice, this is not quite true, owing to some small changes made in recent years to THERMOCALC’s implementation of the HPx-eos. This can happen because we discover previously unrecognised complexities, or even inadvertently. We appreciate that such changes are problematic when it comes to reproducibility of results, and we will try to help if you have a reproducibility-related query. We fervently hope that we’ve sorted out all such issues in THERMOCALC 3.50.

To fire up THERMOCALC for the first time, see the Get started guide. If you’ve used it before, and want files for thermodynamic input and controlling calculations, see the THERMOCALC download guide or main Downloads page.

Download THERMOCALC 3.47

TC3.47 was first released in 2018 at the same time as the igneous set of HPx-eos. Brief version notes:

  • It will not read axfiles contemporaneous with tc3.40 and earlier, due to syntax changes aimed at clarifying the handling of order-disorder in end-members.
  • It generates an output file with suffix -ic, containing extensive compositional, structural and thermodynamic information for each calculation.
  • The script “incax yes” is defunct – instead, the program always prints full details of the x-eos used to the -it output file.

Latest versions current 13-12-2019 (Windows version now working):

Download THERMOCALC 3.50 – beta version (recommended for new users)

TC350 is the recommended version for new users. We will continue to update it before reaching a stable version. However, these changes are expected to be either fully “under the hood” – i.e. changes to code structure that will benefit future programmers but don’t affect the output – or to involve calculations types that are rarely used and currently undocumented.

TC3.50 represents some substantial changes from tc347. Full version notes are included with the download, but highlights are:

  • It requires yet another axfile format, containing more information and stricter syntax, in order that…
  • …the x-eos descriptions contained in the -it file are fully transparent, giving enough information to implement the x-eos elsewhere, using the formulations given in the dataset and a-x papers.
  • New output in csv format to allow more flexible plotting.
  • A change to how the user can set H2O in excess. Previously, users could set the script setexcess H2O in the scriptfile, accompanied by a H2O-free bulk composition, causing THERMOCALC to add a large quantity of H2O to the bulk composition. There is then no mechanism for users to set meaningful mode isopleths, since this would involve an iterative loop that the program lacks. This process is now transparent – THERMOCALC insists that the user puts H2O into the bulk composition, then normalises it out.
  • A more comprehensive interactive mode for new users.

Latest versions current 16-01-2020: