% ========================================
% Sample scriptfile for avP calculation
%
% Use "%" for commenting (nothing is read between % and the line ending).
% No lines are read after the "*" character.
% ========================================

autoexit		% exit at end of run

axfile avptAX

runname synth_eg	% run name to use in output

with ol opx cpx pl	% phases to use in calculation
dataok

calctype 1            	% 1 = avP; 2 = avT

diagramPT  1  20  800 1400	% minP maxP minT maxT for calcs

calcT  1000 1200 50		% calculate avP at these temperatures (ºC):
				%    minT maxT interval

ptforaxe 12 1100      	% kbar, C. Best guess of P and T, for initial 
			% calculation of end-member activities

% maxsdp 4   	% Choose reactions with maximum standard deviation of 4 kbar
	   	% Redundant if isr block is provided

% oisr		% Print the reactions THERMOCALC has chosen in isr block form
		% Redundant if isr block is provided

% -------------------------------------------------
% isr block
% -------------------------------------------------
isr        fa   fo   en   fs mgts   di cats   an	% end-members in reactions
isr         0   -1    0    0    1    1    0   -1	% list of reaction coefficients
isr         0   -1    1    0    0    0    1   -1	% for each of the independent
isr        -1    0    0    1    0    0    1   -1	% set of reactions
% -------------------------------------------------

% -------------------------------------------------
% Analysed compositions of phases, expressed
% in terms of the THERMOCALC variables in the
% x-eos chosen. 
% Values must be given for each phase specified
% in the "with" script above.
% -------------------------------------------------
xyz x(ol)         0.1                       
xyz c(ol)       0.005                     
xyz Q(ol)      0.0001                    
xyz x(opx)       0.09                      
xyz y(opx)       0.25  range  0.000 2.000  
xyz c(opx)       0.04                      
xyz Q(opx)      -0.04  range -1.000 1.000   
xyz f(opx)       0.01
xyz t(opx)      0.008
xyz cr(opx)      0.02
xyz j(opx)      0.001                       
xyz x(cpx)        0.1                        
xyz y(cpx)       0.07  range  0.000 2.000   
xyz o(cpx)       0.15                      
xyz n(cpx)       0.11
xyz Q(cpx)      -0.02  range -1.000 1.000   
xyz f(cpx)       0.02
xyz cr(cpx)      0.01
xyz t(cpx)       0.01
xyz k(cpx)      0.005
xyz ca(pl)        0.8
xyz k(pl)      0.0001

*
