2022-02-01 20:49:03 +01:00
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#!/bin/gnuplot
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#set terminal pngcairo size 600,600 enhanced font 'Verdana,10'
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#set output 'plot_pes.png'
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#set terminal postscript eps size 5.3,3.0 enhanced color \
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set terminal postscript eps size 5.3,5.3 enhanced color \
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font 'Helvetica,24' linewidth 2
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set output 'freq.eps'
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set encoding iso_8859_1
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###################################################################################
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###################################################################################
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# SYSTEM DEPENDENT PART:
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set xrange[-0.1:4.1]
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# VIEW 1:
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set yrange[0.60:0.68]
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set format y "%.2f"
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###################################################################################
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###################################################################################
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set xtics 1
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set ytics 0.02
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set grid xtics ytics mxtics mytics #lc rgb 'blue' lt 1, lc rgb 'red' lt 1
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2022-03-06 00:47:19 +01:00
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if (!exists("MP_LEFT")) MP_LEFT = 0.17
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2022-02-01 20:49:03 +01:00
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if (!exists("MP_RIGHT")) MP_RIGHT = 0.98
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if (!exists("MP_BOTTOM")) MP_BOTTOM = 0.10
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if (!exists("MP_TOP")) MP_TOP = 0.97
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if (!exists("MP_xGAP")) MP_xGAP = 0.08
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if (!exists("MP_yGAP")) MP_yGAP = 0.08
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set multiplot layout 1,2 rowsfirst \
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margins screen MP_LEFT, MP_RIGHT, MP_BOTTOM, MP_TOP spacing screen MP_xGAP, MP_yGAP
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set style line 1 dt 1 lw 3 linecolor rgb "gray60"
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set style line 2 dt 1 lw 3 linecolor rgb "black"
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set style line 3 dt 1 lw 3 linecolor rgb "light-red" pt 13 ps 2
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set style line 4 dt 1 lw 3 linecolor rgb "sea-green" pt 13 ps 2
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set style line 13 dt 1 lw 2 linecolor rgb "light-red" pt 7 ps 2
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set style line 14 dt 1 lw 2 linecolor rgb "sea-green" pt 7 ps 2
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set xlabel 'Computational scaling'
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#set ylabel "Vibrational frequency (cm^{-1})"
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set ylabel "Force constant (Hartree/a_{0}^2)"
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###################################################################################
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###################################################################################
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# SYSTEM DEPENDENT PART:
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#u 1:($2*sqrt(2*$4)/2/pi)
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plot 'aD_FCI.dat' u 1:(2*$2*$2*$4) w l ls 2 notitle, \
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'aD_CI.dat' u 1:(2*$2*$2*$4) w lp ls 3 notitle, \
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'aD_CIo.dat' u 1:(2*$2*$2*$4) w lp ls 4 notitle
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unset ylabel
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unset label
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set format y ""
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plot 'aD_FCI.dat' u 1:(2*$2*$2*$4) w l ls 2 notitle, \
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'aD_ooCI.dat' u 1:(2*$2*$2*$4) w lp ls 13 notitle, \
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'aD_ooCIo.dat' u 1:(2*$2*$2*$4) w lp ls 14 notitle
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###################################################################################
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###################################################################################
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#pause -1
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