- External Stress / Pressure
- Electric Field and orientational Polarisation
- Monte Carlo Metropolis algorithm
- input files can contain variables and expressions such as Dz2=sqrt(2)*Dx2
- McPhaseExplorer Button for opening the Manual
- mcphas.ini: flexible user defined output columns can be defined,
Magnetic and Electric Field can be input in euclidean coordinates or as components along crystal axis,
parameter repeat to control action if no convergence is achieved in mean field loop
- cif2mcphas atomic coordinates may contain references to previous atoms x y z, e.g. O1x
- ic1ion operators - bug removed for imaginary Tkq (i.e. q<2) in expectation value calc in ic1ion 5.6
- reduce_unitcell extended: for negative coefficient (+–) the sipf files will be overwritten
with CHARGE replaced by distributed charge - useful for problems with electric polarisation calculations
- mcdisp output files: qom dsigma disgma.tot file have different format now (number of columns increased by one)
- singleion options introduced for dynamical static susceptibility and INS scattering function
- makenn: new options -rkkynest -djdeps1-6
- display: option -vlines -hlines for vertical and horizontal guide to the eye lines
- mctest - to test correct function of McPhase, cd demo and type mctest test*.bat
