Theriak-Domino Forum

Dear Fabrizio, You can use editor such as notepad to open the fsol.f90 file and edit the external subroutines for LIQMB16 model. It includes three parts: SOLINI, SOLMOD and SOLCAL (Please reference to Page 75). You may mimic what already existed in the fsol.f90 such as Liquid model "LIQtc"...

Hi Otavio,

Maybe something wrong with your bulk composition input, do you multiply by 2 when you deal with AL, NA, K and H?

Kind regards!
Blakelee

Hi Will, I have checked further and now i am sure that the right O vaule should be 163.6655, not 163.665, and i guess K is adjacent to O in your input file, if so, that means the excess K would leave alone after all O have been assigned to the other cations. A question mark O(?) allows the system to...

Hi Will, Sorry for my late response! I use your bulk info: 0 MN(0.116)NA(3.914)CA(1.358)K(4.952)FE(5.769)MG(3.373)AL(24.839)SI(55.019)TI(0.660)H(60)SI(30)O(?) * as input file and run Theriak.exe randomly to check the output results, it seems everything goes well and i havn't find a 'K' phase as you ...

Hi Will,

Could you please upload the bulk composition file so that we may reproduce the error and find out what's wrong? I guess you assign too much K content in the input file to leave the excess K.

Kind regards!
Blakelee, PHD student

Dear Pierre and dolejs, Prof. Pierre is right, i once asked Prof. de Capitani the same question and he explained this as follows: " With the THERMOCALC database it becomes clear, that the "-" is needed. DQF has three parameters a,b, and c. The correction is a + b*T + c*P (1) (note the...

Hi Arthur Santos, I suggest you have a try the recently updated version 20201103, which can be available from the URL below: https://titan.minpet.unibas.ch/minpet/theriak/theruser.html. I have attained some good results using this version when constructing phase diagrams for a mafic eclogite, so i b...

Hi,

LIQMB16 :there is no data for qL1 in external subroutine

Thus you need edit the fsol.f90 file for LIQMB16 solution because it needs external subroutine to calculate end-member activities, you can read TheriakDominoGuideBOOK that tell you how to edit it.

Best wishes,

Blakelee, PHD student

Hi, The following is solution model of Zr -bearing rutile model I code by the info you provided, it works well in my Theriak-Domino 2018 version. Please let me know if you find some errors in the code. !========================================================================================= !======...