Theriak-Domino Forum

Hi According to the comments/notes in the database file, it says this: Note 0: This database file can only be used with the 2023.01.02 or newer version of the Theriak-Domino suite of programs. Since you are using an older version of Theriak-Domino than what that file works with, it doesn't work out ...

Hello I have not built on Sequoia yet but I imagine it will work. You need to make modifications in the file src/MakefileMAC. Open it and you will find these lines?: ## Select minimum macos to run binaries on MINMACOS=12.0 ## Static gfortran build on mac requires specifying path to libquadmath.a ## ...

Hi William You figured out your issue with your oxygen (you initially did not enter enough Oxygen). In the very first step of the minimization algorithm, an 'assemblage' of stable phases is set to an assemblage of the elements themselves, and those elements are given a very high Gf so that in normal...

Hi Otavio You should either add some extra oxygen to generate stability of the ferric iron-bearing members that are activated in the database file, or deactivate the ferric-iron bearing members in the database file if you do not want any to be predicted. See the "Ferric iron problems" sect...

Hello Jacek: When I see a problem with a bunch of jagged lines like I see in your diagram, my first thought is to check that I have added enough ferric iron to the bulk composition. The system composition basis set for that file use the system components iron (FE) and oxygen (O), and does not use an...

I have used the composition from Fig 7 of White et al 2014 (Mn): I have looked into the new version of domino on capi's website. For some compositions I am seen lack of convergence to the equilibrium solution and I think I know why, and it is slow. I will soon make available for download some execu...

Hi Jan, The point is that no F3 is included in the f3-phases (****   MINERAL DATA  **** - block). You have to change FE to F3 for all f3-phases, if you want to activate ferric members. For example:  Hi Erik: Actually, this is not how I would proceed in this case. That file was specifically set up f...

It would be helpful to tell us the chemical system you are working in and the P-T range you are working at. Ideally you would also post the composition  as listed in your THERIN or therin.txt input file. Otherwise it is difficult to address your question.

I uploaded a theriak-domino formatted version of the Holland & Powell ds6.2 with White et al. 2014 Mn ax models. It should give the same results as the file shipping with the 2017 version of Theriak-Domino as far as I know (not tested). I have comparisons to published figures calculated with The...

How do I do this? How can I add Fe3+ to the composition (is it Fe3+(--)?) ? The method for entering Fe+++ is dependent on the compositional format used in the thermodynamic dataset file used in your calculation. The default method, which is used by files shipped with Theriak-Domino, is to control v...