function [C11,C12] = fit_C11EB(datafile,a0,B) data = load(datafile); a = data(:,1); E = data(:,3); V = data(:,1)*a0^3; [P1, S1] = polyfit((a-1), E./a0^3, 2); C11 = 2*P1(1) * 160.2; C12 = 1/2*(3*B - C11); disp(sprintf('C11 = %.6f (GPa)',C11)); disp(sprintf('C12 = %.6f (GPa)',C12)); aaxis = [0:0.01:1]*(max(a)-min(a))+min(a)-1; Efit = polyval(P1,aaxis); figure(1) plot(a-1,E./a0^3,'o',aaxis,Efit,'-');