mirror of https://github.com/abinit/abinit.git
33 lines
703 B
Gnuplot
33 lines
703 B
Gnuplot
set terminal postscript eps enhanced 22
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set output 'fcart.eps'
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set xrange [-5:5]
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#set yrange [-0.012:0.01]
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set ylabel 'Force (a.u.)'
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set xlabel 'Electric field (10^{-4} a.u.)'
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set size 1,1
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set ticscale 2
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set border 15 linewidth 1.5
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set xtics 2
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set mxtics 2
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ucvol = 3.0109659E+02
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f1(x) = a1*x**2 + b1*x + c1
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f2(x) = a2*x**2 + b2*x + c2
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f3(x) = a3*x**2 + b3*x + c3
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fit f1(x) 'fcart.lst' u 1:2 via a1,b1,c1
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fit f2(x) 'fcart.lst' u 1:2 via a2,b2,c2
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fit f3(x) 'fcart.lst' u 1:2 via a3,b3,c3
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plot "fcart.lst" u ($1*10000):($2) notitle w p pt 6 ps 2, \
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f1(x/10000) notitle w lines -1
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print "Zstar = ", b1, b2, b3
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print "dchi/dtau = ",a1/ucvol, a2/ucvol, a3/ucvol
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set terminal x11
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set size 1,1
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replot
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