... in version 5.6 ...

• mcphas
  • introduced self consistent treatment of exchange striction, see section 12
  • bugs removed: fecalc evalfe was not full multithreading, ic1ion and icf1ion cfp were buggy
  • introduced experimental error in fit/mcphas.fum for calculation of sta and allow for fitting of any quantity in mcphas.fum
• singleion option -Tsteps -Hsteps -v introduced to allow simple loops with high speed
• pointc: a standard deviation sta of calculated to input cf parameters can be calculated (option -s)
• fform extended, option -t to format year month day hour min second into timestamp in seconds
• getvalue improved to do interpolation, too (dx=0)
• check of righthandedness of primitive lattice in reading mcphas.j introduced
• display_density, densplt enabled to read exchange field components from command line
• cif2mcphas reading of atomic positions extended to be able to put something such as

  (C1+Tm2)/2 (C1+Tm2)/2 (C1+Tm2)/2
  

  for a position instead of 0.253(23) 0.423 0.5, option -nm (nonmagnetic) introduced to force nonmagnetic atoms
• reduce_unitcell: check if atoms are in primitive unit cell, if not move them there, option -delatoms introduced to allow to delete atoms from mcphas.j
• TmNiC$_2$ example created, using electron point charges on bondings and solving linear equation system to calculate some point charges given $B_2^0$ and $B_2^2$ from high T expansion of inverse magnetic susceptibility
• makenn revised to make possible exchange striction calculations using option -djdx -djdy -djdz, bug in elastic constants formula found and corrected
• display : adapted to enable display of error bars
• option -r in simannfit