Search found 10 matches

by pierre.lanari
23 Apr 2021, 06:02
Forum: Installation and Operation
Topic: Read error for solution models with large multiplicities
Replies: 6
Views: 4351

Re: Read error for solution models with large multiplicities

Hi David, After running again my benchmarking test this morning, I confirm that the entropy correction term must be -46.1 in Theriak to reproduce Perple_X' results. Sounds like the programs are using a different sign convention for the -TS term. You can find the results of my tests and the database ...
by pierre.lanari
22 Apr 2021, 15:29
Forum: Installation and Operation
Topic: Read error for solution models with large multiplicities
Replies: 6
Views: 4351

Re: Read error for solution models with large multiplicities

Hi David, Would the splitting of the M0 site into M01 and M02 solve your problem? I have the following model that I benchmarked against Perple_X in 2019. Cheers, Pierre **** MINERAL DATA ***** antigorite SI(34)MG(48)O(147)H(62) atg 48nh ST 0.0 -71424920.000 3591.0000 175.4800 C3 9621.00000 -0.091183...
by pierre.lanari
21 Apr 2020, 12:01
Forum: Installation and Operation
Topic: Errors with newest Theriak-Domino versions on Windows
Replies: 4
Views: 7483

Re: Errors with newest Theriak-Domino versions on Windows

... and I got the following answer from Capi: The problem described seems irrelevant. If I understand correctly, it just can't write the date into a string. (A work around would be to set the string to some value and RETURN, without looking for the real date and time) One might have to use another b...
by pierre.lanari
21 Apr 2020, 09:45
Forum: Installation and Operation
Topic: Errors with newest Theriak-Domino versions on Windows
Replies: 4
Views: 7483

Re: Errors with newest Theriak-Domino versions on Windows

Hi Josh and Jacob, We encountered several issues with Erik Duesterhoeft while trying to connect the Windows-version of Theriak-Domino to Bingo-Antidote, but not the specific one you mentionned here. Finally, we decided to recompile Theriak-Domino using Cygwin instead of MinGW. It solves other proble...
by pierre.lanari
07 Apr 2020, 06:57
Forum: General Discussion
Topic: Uncertainty on Theriak-Domino
Replies: 2
Views: 5635

Re: Uncertainty on Theriak-Domino

Dear Pan, This is a complicated question and I am afraid there is no simple answer. You are using a bulk rock composition and thermodynamic data and you want to compare the modeled mineral compositions with the observations (e.g. EPMA analysis). There are several sources of uncertainty that need to ...
by pierre.lanari
20 Nov 2018, 06:31
Forum: General Discussion
Topic: ragged curves on pseudosection
Replies: 6
Views: 9003

Re: ragged curves on pseudosection

Hi Jacek, How did you define the number of oxygen in your bulk? I you are using O(?), I suggest you to add a little extra oxygen to avoid minimization issues with the ferric end-members. I would try to calculate the diagram between 550-600 °C and 5000-7500 bar using the following bulk: 1    SI(66.84...
by pierre.lanari
20 Feb 2016, 05:29
Forum: Dataset Discussion
Topic: Ti-Fe3+ Bt Model of Tajcmanova et al. (2009)
Replies: 3
Views: 10300

Re: Ti-Fe3+ Bt Model of Tajcmanova et al. (2009)

Hi Eric, Here is the solid solution model for biotite from Lucie. We checked this model with Rob Berman about two weeks ago and it works fine. Cheers, Pierre !=============================================================================== !====================================== PHASE COMPONENTS FOR ...
by pierre.lanari
22 Nov 2015, 07:56
Forum: Installation and Operation
Topic: isopleths for elements
Replies: 5
Views: 11441

Re: isopleths for elements

Hi Jacek, For help with isoline definition type "i" during "definition of calculation type". For this model, Si(T1) = Si-2. Consequently, Si(T1) ranges from 1 to ~1.5. This can be confusing because in KWM you have two T sites with both a multiciplicity of 2. The first one is only filled up by Si as ...
by pierre.lanari
12 Nov 2015, 10:21
Forum: General Discussion
Topic: Over-prediction of OMPH
Replies: 7
Views: 16221

Re: Over-prediction of OMPH

  I guess I am a little bit confused on the process of acquiring a local effective bulk composition. Once x-ray maps have been produced, was there a certain software you used to acquire modal phase percentage and then calculate a bulk composition based on average mineral composition? Any suggested r...
by pierre.lanari
05 Nov 2015, 09:24
Forum: General Discussion
Topic: Over-prediction of OMPH
Replies: 7
Views: 16221

Re: Over-prediction of OMPH

Hi William,  As you probably well know, THERIAK models the stable mineral assemblage at P and T, assuming that the entire system with the given bulk rock composition reacts and achieved equilibrium. However in your sample you have phases such as garnet that are probably metastable at low pressure. S...