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From: Dang, S. <s....@fz...> - 2013-12-06 08:05:11
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Hi everyone,
I have a script which returns me the following error:
"/home/siaufung/atat/glue/qe/example/Result/mapsrep.gnu", line 8: ';' expected
The script looks as follows (I have marked line 8):
set xlabel "concentration"
set ylabel "energy"
set title "Fitted Energies"
plot [0:1] \
'predstr.out' u 1:3 t "predicted" w p 2, \
'fit.out' u 1:3 t "known str" w p 1, \
'gs.out' u 1:3 t "known gs" w linesp 3, \
'newgs.out' u 1:3 t "predicted gs" w p 4
pause -1
set title "Calculated Energies"
plot [0:1] \
'fit.out' u 1:2 t "known str" w p 5, \
'gs.out' u 1:2 t "known gs" w linesp 6
pause -1
set title "Calculated and Fitted Energies"
plot [0:1] \
'fit.out' u 1:2 t "calculated" w p 5, \
'fit.out' u 1:3 t "fitted" w p 1
pause -1
set xlabel "diameter"
set ylabel "energy"
set title "ECI vs cluster diameter"
set nokey
set xzeroaxis
set xtics ("pair" 0,"5" 5,"10" 10,"15" 15, "trip" 20,"5" 25,"10" 30,"15" 35, "quad" 40,"5" 45,"10" 50,"15" 55)
plot [-5:60] 'clusinfo.out' u (($1-2)*20.+$2):($4)
pause -1
set title "Residuals of the fit (same order as in fit.out)"
set xtics autofreq
set ylabel "energy"
set xlabel "line number in fit.out"
plot 'fit.out' u 4
pause -1
set title "Fitted vs Calculated Energies"
set ylabel "predicted energy"
set xlabel "actual energy"
set nokey
plot \
'fit.out' u 2:3 w p 1,x
pause -1
This script has been generated automatically by a software package calles ATAT. I believe this is an issue related to the version of gnuplot I am using now, because at the time ATAT was developed, they were using older versions of it. Since I am no expert in gnuplot I have no idea what to modify.
Can somebody help me?
Many thanks.
Best, Siaufung Dang
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