Starting a simulation

To start the simulation goto the directory containing the input files mcphas.ini, mcphas.j, etc. and type

mcphas
to run the program generating stepwise $H-T$ values in a loop given by mcphas.ini (you can also press the symbol in the McPhase - Explorer window).
mcphas [file]
to run the program with an input file - file contains T ha hb hc values to be calculated if [file] is not given, xmin xmax xstep (xT xHa xHb xHc) ymin ymax ystep (yT yHa yHb yHc) is read from file mcphas.ini and phase diagram is calculated
mcphas -h
to print help and version of McPhas.
mcphas -stamax 14
end mcphas if standard deviation exceeds 14.
mcphas -a
avoid overwriting output files in results, append new results to existing files
mcphas -doeps
refine strain epsilon using elastic and magnetoelastic constants see section 11 for how to enter these constants into mcphas.j
mcphas -v
to enable verbose mode with lots of messages of McPhas. Specifically the verbose mode enables the following features:
mcphas -prefix 001
try to read files starting with 001, e.g. 001mcphas.ini, if these exist, otherwise take standard input files, check if in mcphas.ini there are parameters such as 001xmin and use those. Output goes to files results/001mcphas*.* (option for parallel processes)
mcphas -read 001
try to read output files of previous calculation starting with 001, e.g. results/001mcphas.fum, if these exist, and if the x-y-T-Ha-Hb-Hc point is found and the calculation was stable (i.e. free energy in results/001mcphas.fum not zero do not recalculate it but take results from this previous calculation and store those. Option to recalculate nonstable points only.
mcphasit
to start mcphase in commandline mode without opening any window




Exercises: