主要记录一些使用中的一些命令和几个模板命令文件
首先是模板命令文件
能量与界面间距的画图
set xrange [1.6:5.5];set xtic 1.6,0.2,5.5 font "Time, 14"
set yrange [-218:-211];set ytics -218,1,-211 font "Time,14"
set xlabel "Distance(Å)" font "Time,16"
set ylabel "Energy(eV)" font "Time, 16"
set bmargin at screen 0.23;set lmargin at screen 0.15
set key font "Time, 16"
plot "d-e1.txt" using 1:2 with lines lc "black" lw 2 title "energy"dos画图
set xrange [-22:3];set xtic -22,3,3 font "Time, 20"
set yrange [-0.2:2];set ytics 0,0.4,2font "Time,20"
set xlabel offset 0,-1 #X偏移
set ylabel offset -2,0 #Y偏移
set xlabel "Energy (eV)" font "Time,22"
set ylabel "PDOS" font "Time, 22"
set bmargin at screen 0.35;set lmargin at screen 0.1
set key font "Time, 20"
set key center at -4,1.7
#unset key
set multiplot
plot "ti-2.dat" using 1:2 with lines title "s" lw 2 , "ti-2.dat" using 1:3 with lines lw 2 title "p" ,"ti-2.dat" using 1:4 w l lw 2 title "d"
set parametric
unset key
plot [t=-5:100]0,t lw 3 lc "black"
unset parametric
unset multiplot画径向分布函数
set xrange [0:5];set xtic 0,0.2,5 font "Time, 13"
set yrange [0:60];set ytics 0,10,60 font "Time,13"
set xlabel "Diatance r (Å)" font "Time,18"
set ylabel "g(r)" font "Time, 18"
set bmargin at screen 0.20;set lmargin at screen 0.15
set key font "Time, 16"
plot "gr.dat" using 1:2 with lines title "g(r)"多条曲线一起画
set xrange [0:5];set xtic 0,0.2,5 font "Time, 13"
set yrange [0:10];set ytics 0,1,10 font "Time,13"
set xlabel "Diatance r (Å)" font "Time,18"
set ylabel "g(r)" font "Time, 18"
set bmargin at screen 0.20;set lmargin at screen 0.15
set key font "Time, 16"
plot "gr1.dat" using 1:2 with lines lw 2 title "si0", "gr2.dat" using 1:($2+1) with lines lw 2 title "si2", "gr3.dat" using 1:($2+2) with lines lw 2 title "si7"画COHP
set xrange [-10:10];set xtic -20,5,10 font "Time, 13"
set yrange [-2:2];set ytics -2,0.2,2 font "Time,13"
set xlabel "Energy (eV)" font "Time,18"
set ylabel "-COHP" font "Time, 18"
set bmargin at screen 0.20;set lmargin at screen 0.15
set key font "Time, 16"
plot "COHPCAR.lobster" using 1:(-$4) with lines title "O-Ti"