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+ 54.602 190.5 50.602 c f
+q 1 0 0 -1 0 216 cm
+190.5 165.398 m 190.5 169.398 184.5 169.398 184.5 165.398 c 184.5 161.398
+ 190.5 161.398 190.5 165.398 c S Q
+249.102 62.199 m 249.102 58.199 243.102 58.199 243.102 62.199 c 243.102
+ 66.199 249.102 66.199 249.102 62.199 c f
+q 1 0 0 -1 0 216 cm
+249.102 153.801 m 249.102 157.801 243.102 157.801 243.102 153.801 c 243.102
+ 149.801 249.102 149.801 249.102 153.801 c S Q
+348.148 115 m 348.148 111 342.148 111 342.148 115 c 342.148 119 348.148
+ 119 348.148 115 c f
+q 1 0 0 -1 0 216 cm
+348.148 101 m 348.148 105 342.148 105 342.148 101 c 342.148 97 348.148 
+97 348.148 101 c S Q
+323.949 152.699 m 323.949 148.699 317.949 148.699 317.949 152.699 c 317.949
+ 156.699 323.949 156.699 323.949 152.699 c f
+q 1 0 0 -1 0 216 cm
+323.949 63.301 m 323.949 67.301 317.949 67.301 317.949 63.301 c 317.949
+ 59.301 323.949 59.301 323.949 63.301 c S Q
+0 g
+q 1 0 0 -1 0 216 cm
+48.051 10.75 297.098 176 re S Q
+Q Q
+showpage
+%%Trailer
+end restore
+%%EOF
diff --git a/new/O2_avtz/plots/data_DFT_avtzE_error b/new/O2_avtz/plots/data_DFT_avtzE_error
index 9020e8f..698c935 100644
--- a/new/O2_avtz/plots/data_DFT_avtzE_error
+++ b/new/O2_avtz/plots/data_DFT_avtzE_error
@@ -1,8 +1,9 @@
-1.95  0.1757054   0.1243017219  0.1176134571  0.1176134571
-2.1  0.17337176   0.1235525999  0.1167518477  0.1167518477
-2.2816  0.17111556   0.1227605933  0.1158730886  0.1158730886
-2.4  0.16930478   0.1217035064  0.1147801155  0.1147801155
-2.6  0.16779929   0.1212119246  0.1142561554  0.1142561554
-3.0  0.16815868   0.122982122  0.1160410233  0.1160410233
-4.0  0.25992629   0.2163688947  0.2099685337  0.2099685337
-5.0  0.23983211   0.1966206314  0.1902972744  0.1902972744
+1.95  0.17626586   0.1248621819  0.1181739171  0.1181739171
+2.1  0.17376893   0.1239497699  0.1171490177  0.1171490177
+2.2816  0.17081279   0.1224578233  0.1155703186  0.1155703186
+2.4  0.1684003   0.1207990264  0.1138756355  0.1138756355
+2.6  0.16727289   0.1206855246  0.1137297554  0.1137297554
+3.0  0.16741749   0.122240932  0.1152998333  0.1152998333
+4.0  0.18487142   0.1418586232  0.1353822709  0.1353822709
+5.0  0.16909537   0.1263764622  0.1200320272  0.1200320272
+10.0  0.1627337   0.1202721216  0.1142292678  0.1142292678
diff --git a/new/O2_avtz/plots/data_DFT_avtzE_relat b/new/O2_avtz/plots/data_DFT_avtzE_relat
index 510e488..19dbf13 100644
--- a/new/O2_avtz/plots/data_DFT_avtzE_relat
+++ b/new/O2_avtz/plots/data_DFT_avtzE_relat
@@ -1,8 +1,9 @@
-1.95  -0.18262671   -0.1908189095  -0.1911838173  -0.1910133877  -0.1185
-2.1  -0.23586035   -0.2424680315  -0.2429454267  -0.2427781538  -0.1694
-2.2816  -0.25421655   -0.2593600381  -0.2599241858  -0.2597615698  -0.1855
-2.4  -0.25142733   -0.255817125  -0.2564171589  -0.2562581371  -0.1809
-2.6  -0.23193282   -0.2353087068  -0.235941119  -0.2357891722  -0.1599
-3.0  -0.17567343   -0.1776385094  -0.1782562511  -0.1781235262  -0.104
-4.0  -0.000105819999987   -0.000451736700001  -0.000528740699976  -0.0005215344  -0.0202
-5.0  0.0   3.46944695195e-17  -1.35932931578e-14  7.43155537108e-15  0.0
+1.95  -0.11096784   -0.1199099397  -0.1205553507  -0.1203114372  -0.1245
+2.1  -0.16436477   -0.1717223517  -0.1724802501  -0.1722394933  -0.1754
+2.2816  -0.18342091   -0.1893142983  -0.1901589492  -0.1899228493  -0.1915
+2.4  -0.1812334   -0.1863730952  -0.1872536323  -0.1870211266  -0.1869
+2.6  -0.16136081   -0.165486597  -0.1663995124  -0.1661740817  -0.1659
+3.0  -0.10531621   -0.1080311896  -0.1089294345  -0.1087232257  -0.11
+4.0  -0.00406228   -0.00461349840001  -0.0050469969  -0.0049547412  -0.0262
+5.0  0.000361670000018   0.00010434060001  -0.000197240599979  -0.000124719199982  -0.006
+10.0  0.0   -8.19483370051e-15  9.21485110439e-15  5.75234304634e-15  0.0
diff --git a/new/O2_avtz/plots/data_DFT_avtzE_tot b/new/O2_avtz/plots/data_DFT_avtzE_tot
index fad4b0a..8a84605 100644
--- a/new/O2_avtz/plots/data_DFT_avtzE_tot
+++ b/new/O2_avtz/plots/data_DFT_avtzE_tot
@@ -1,8 +1,9 @@
-1.95  -150.0701946   -150.121598278  -150.128286543  -150.128326921  -150.2459
-2.1  -150.12342824   -150.1732474  -150.180048152  -150.180091688  -150.2968
-2.2816  -150.14178444   -150.190139407  -150.197026911  -150.197075103  -150.3129
-2.4  -150.13899522   -150.186596494  -150.193519885  -150.193571671  -150.3083
-2.6  -150.11950071   -150.166088075  -150.173043845  -150.173102706  -150.2873
-3.0  -150.06324132   -150.108417878  -150.115358977  -150.11543706  -150.2314
-4.0  -149.88767371   -149.931231105  -149.937631466  -149.937835068  -150.1476
-5.0  -149.88756789   -149.930779369  -149.937102726  -149.937313534  -150.1274
+1.95  -150.06963414   -150.121037818  -150.127726083  -150.127766461  -150.2459
+2.1  -150.12303107   -150.17285023  -150.179650982  -150.179694517  -150.2968
+2.2816  -150.14208721   -150.190442177  -150.197329681  -150.197377873  -150.3129
+2.4  -150.1398997   -150.187500974  -150.194424365  -150.194476151  -150.3083
+2.6  -150.12002711   -150.166614475  -150.173570245  -150.173629106  -150.2873
+3.0  -150.06398251   -150.109159068  -150.116100167  -150.11617825  -150.2314
+4.0  -149.96272858   -150.005741377  -150.012217729  -150.012409765  -150.1476
+5.0  -149.95830463   -150.001023538  -150.007367973  -150.007579743  -150.1274
+10.0  -149.9586663   -150.001127878  -150.007170732  -150.007455024  -150.1214
diff --git a/new/O2_avtz/plots/plot.sh b/new/O2_avtz/plots/plot.sh
index aaae2d9..ec914ec 100755
--- a/new/O2_avtz/plots/plot.sh
+++ b/new/O2_avtz/plots/plot.sh
@@ -10,10 +10,16 @@ OUT=${METHOD}_${BASIS}E_${TYPE}
 cat << EOF > pouet.gp
 set xrange [1.8:4]
 set key bottom
-plot   '${FILE}' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2 ps 0.5 title "${WF}/$BASIS"
-replot '${FILE}' using 1:5 smooth cspline notitle lt 8 , "" using 1:5 w p lt 8 ps 0.5 title "${WF}+PBEot0{/Symbol z}/$BASIS" 
-replot '${FILE}' using 1:6 smooth cspline notitle lt 7 , "" using 1:6 w p lt 7 ps 0.5 title "Exact" 
-set terminal eps enhanced linewidth 3
+
+set xlabel "Internuclear distance (bohr) "
+set ylabel "Atomization energy (hartree)"
+set key font ",15"
+set key spacing "1,8"
+
+plot   '${FILE}' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2 ps 1 title "${WF}/$BASIS"
+replot '${FILE}' using 1:5 smooth cspline notitle lt 8 , "" using 1:5 w p lt 8 ps 1 title "${WF}+SU-PBE-OT/$BASIS" 
+replot '${FILE}' using 1:6 smooth cspline notitle lt 7 , "" using 1:6 w p lt 7 ps 1 title "Exact" 
+set terminal eps enhanced linewidth 4
 set output "${OUT}.eps"
 replot
 
@@ -26,12 +32,18 @@ OUT=${METHOD}_${BASIS}E_${TYPE}_zoom
 cat << EOF > pouet.gp
 set xrange [2.:2.6]
 set key right
-plot   '${FILE}' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2 ps 0.5  title "${WF}/$BASIS"
-replot '${FILE}' using 1:3 smooth cspline notitle lt 9 , "" using 1:3 w p lt 9 ps 0.5  title "${WF}+PBE-UEG~{/Symbol z}{.8-}/$BASIS" 
-replot '${FILE}' using 1:4 smooth cspline notitle lt 4 , "" using 1:4 w p lt 4 ps 0.5  title "${WF}+PBEot~{/Symbol z}{.8-}/$BASIS" 
-replot '${FILE}' using 1:5 smooth cspline notitle lt 8 , "" using 1:5 w p lt 8 ps 0.5  title "${WF}+PBEot0{/Symbol z}/$BASIS" 
-replot '${FILE}' using 1:6 smooth cspline notitle lt 7 , "" using 1:6 w p lt 7 ps 0.5  title "Exact" 
-set terminal eps enhanced linewidth 3
+
+set xlabel "Internuclear distance (bohr) "
+set ylabel "Atomization energy (hartree)"
+set key font ",15"
+set key spacing "1,8"
+
+plot   '${FILE}' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2 ps 1  title "${WF}/$BASIS"
+replot '${FILE}' using 1:3 smooth cspline notitle lt 9 , "" using 1:3 w p lt 9 ps 1  title "${WF}+PBE-UEG/$BASIS" 
+replot '${FILE}' using 1:4 smooth cspline notitle lt 4 , "" using 1:4 w p lt 4 ps 1  title "${WF}+PBE-OT/$BASIS" 
+replot '${FILE}' using 1:5 smooth cspline notitle lt 8 , "" using 1:5 w p lt 8 ps 1  title "${WF}+SU-PBE-OT/$BASIS" 
+replot '${FILE}' using 1:6 smooth cspline notitle lt 7 , "" using 1:6 w p lt 7 ps 1  title "Exact" 
+set terminal eps enhanced linewidth 4
 set output "${OUT}.eps"
 replot
 
@@ -47,11 +59,17 @@ OUT=${METHOD}_${BASIS}E_${TYPE}
 #lt -1
 cat << EOF > pouet.gp
 set xrange [:7]
-plot   '${FILE}' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2  ps 0.5  title "${WF}/$BASIS"
-replot '${FILE}' using 1:5 smooth cspline notitle lt 8 , "" using 1:5 w p lt 8  ps 0.5  title "${WF}+PBEot{/Symbol z}/$BASIS" 
-replot '${FILE}' using 1:4 smooth cspline notitle lt 4 , "" using 1:4 w p lt 4  ps 0.5  title "${WF}+PBEot/$BASIS" 
-replot '${FILE}' using 1:3 smooth cspline notitle lt 9 , "" using 1:3 w p lt 9  ps 0.5  title "${WF}+PBE/$BASIS" 
-set terminal eps enhanced linewidth 3
+
+set xlabel "Internuclear distance (bohr) "
+set ylabel "Atomization energy (hartree)"
+set key font ",15"
+set key spacing "1,8"
+
+plot   '${FILE}' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2  ps 1  title "${WF}/$BASIS"
+replot '${FILE}' using 1:5 smooth cspline notitle lt 8 , "" using 1:5 w p lt 8  ps 1  title "${WF}+PBEot{/Symbol z}/$BASIS" 
+replot '${FILE}' using 1:4 smooth cspline notitle lt 4 , "" using 1:4 w p lt 4  ps 1  title "${WF}+PBEot/$BASIS" 
+replot '${FILE}' using 1:3 smooth cspline notitle lt 9 , "" using 1:3 w p lt 9  ps 1  title "${WF}+PBE/$BASIS" 
+set terminal eps enhanced  linewidth 4
 set output "${OUT}.eps"
 replot