Don’t like reading? A Quick Start Guide¶
Download and install
Perple_X.Read, or at least skim, the description of the inversion strategy.
Create the
my_project.datandmy_project.imcinput files (I/O Files).Run
MC_fitin a console or terminal window.Run
MC_fit_plotto analyze the results (MC_fit_plot).Addicted to phase diagram sections?
Copy the bulk composition of the best central model
my_project.out(I/O Files) intomy_project.dat, make sure that the molar/mass flag set on line 9 ofmy_project.datindicates molar input.Run
VERTEXto compute the section and plot and analyze it withPSSECTandWERAMI.Analysis with
LinaForma([Mackay2024]) and/orIntersecT([Nerone2025]) may provide additional graphical insight into the inversion result.
When is a bulk composition from
MC_fita macroscopic bulk composition? Don’t know? You should, read Appendix B.