MICRESS Forum

Hi,

I am experiencing the following error message upon starting a simulation (input file attached):


Routine init calls routine initConcFeld
Routine init calls routine initMol
MICRESS error 24 MICRESS err
WARNING IN toolGetMolVolTQ!
Error in first equilibrium! FCC_L12


May I inquire about what could be creating the conflict?

Best regards,

Mauro

Hi mauvec,

It seems that you are requesting single-phase equilibria for calculation of the molar volume at a very low temperature and for a composition which corresponds to the nominal composition of an alloy with high γ'-content. Even if you use the "vol_comp_set"-option, which allows a phase separation into γ/γ', it turns out to be very difficult to get an equilibrium composition for the disordered phase. A workaround is to restrict the temperature range (as at low temperature anyway nothing happens...). This has been done in the example A017 (which you probably used as a starting template) by using the "temp_limit_TQ" keyword.
This is not a very nice solution, but solved the problem for A017. I can re-check after my holidays whether a better solution is available meanwhile.

Bernd