tmin : minimum temperature for the mesh of temperatures. Default: real 1 K tmax : maximum temperature for the mesh of temperatures. Default: real 800 K deltat : interval between two temperatures. Be careful with this value because it is used also to compute temperature derivatives numerically. Too small or too large values could give inaccurate anharmonic properties. Default: real 3 K ntemp : number of temperatures. Default: integer determined from previous data pressure : The external pressure. The crystal parameters are calculated minimizing the enthalpy at this pressure. Given in kbar units. Default: real 0.0 kbar pmin : minimum pressure for the mesh of pressures. Default: real -50.0 kbar pmax : maximum pressure for the mesh of pressures. Default: real 100.0 kbar deltap : Interval between two pressures in the mesh of pressures. Default: real 1.0 kbar ntemp_plot : number of temperatures in the plots where the temperature is a parameter. When 0 these plots are not produced. Default: integer 0 temp_plot(ntemp_plot) : A real array of dimension ntemp_plot with the values of the temperature. No Default value, must be given (in K) when ntemp_plot is not zero. npress_plot : number of pressures in the plots where the pressure is a parameter. When 0 these plots are not produced. Default: integer 0 press_plot(npress_plot) : A real array of dimension npress_plot with the values of the pressure. No Default value, must be given (in kbar) when npress_plot is not zero. nvol_plot : number of volumes in the plots where the volume is a parameter. When 0 these plots are not produced. Default: integer 0 ivol_plot(nvol_plot) : an integer array with the volumes to consider in the plots where the volume is a parameter. The chosen volumes can be only among one of the ngeo(1) geometries. No Default value, must be given when nvol_plot is not zero.

Note that when you fix the external pressure, the geometries chosen to fit the enthalpy must be about the minimum geometry at that pressure. Similarly, when using pressure ranges, the number of simulated geometries must be large enough to cover the selected range of pressures, otherwise the plotted quantities might be inaccurate.