deletions | additions       diff --git a/H2_curve b/H2_curve  new file mode 100644  index 0000000..47a3744  --- /dev/null  +++ b/H2_curve 
...
# Grace project file  #  @version 50122  @page size 792, 612  @page scroll 5%  @page inout 5%  @link page off  @map font 0 to "Times-Roman", "Times-Roman"  @map font 1 to "Times-Italic", "Times-Italic"  @map font 2 to "Times-Bold", "Times-Bold"  @map font 3 to "Times-BoldItalic", "Times-BoldItalic"  @map font 4 to "Helvetica", "Helvetica"  @map font 5 to "Helvetica-Oblique", "Helvetica-Oblique"  @map font 6 to "Helvetica-Bold", "Helvetica-Bold"  @map font 7 to "Helvetica-BoldOblique", "Helvetica-BoldOblique"  @map font 8 to "Courier", "Courier"  @map font 9 to "Courier-Oblique", "Courier-Oblique"  @map font 10 to "Courier-Bold", "Courier-Bold"  @map font 11 to "Courier-BoldOblique", "Courier-BoldOblique"  @map font 12 to "Symbol", "Symbol"  @map font 13 to "ZapfDingbats", "ZapfDingbats"  @map color 0 to (255, 255, 255), "white"  @map color 1 to (0, 0, 0), "black"  @map color 2 to (255, 0, 0), "red"  @map color 3 to (0, 255, 0), "green"  @map color 4 to (0, 0, 255), "blue"  @map color 5 to (255, 255, 0), "yellow"  @map color 6 to (188, 143, 143), "brown"  @map color 7 to (220, 220, 220), "grey"  @map color 8 to (148, 0, 211), "violet"  @map color 9 to (0, 255, 255), "cyan"  @map color 10 to (255, 0, 255), "magenta"  @map color 11 to (255, 165, 0), "orange"  @map color 12 to (114, 33, 188), "indigo"  @map color 13 to (103, 7, 72), "maroon"  @map color 14 to (64, 224, 208), "turquoise"  @map color 15 to (0, 139, 0), "green4"  @reference date 0  @date wrap off  @date wrap year 1950  @default linewidth 1.0  @default linestyle 1  @default color 1  @default pattern 1  @default font 0  @default char size 1.000000  @default symbol size 1.000000  @default sformat "%.8g"  @background color 0  @page background fill on  @timestamp off  @timestamp 0.03, 0.03  @timestamp color 1  @timestamp rot 0  @timestamp font 0  @timestamp char size 1.000000  @timestamp def "Thu Dec 18 09:08:42 2014"  @r0 off  @link r0 to g0  @r0 type above  @r0 linestyle 1  @r0 linewidth 1.0  @r0 color 1  @r0 line 0, 0, 0, 0  @r1 off  @link r1 to g0  @r1 type above  @r1 linestyle 1  @r1 linewidth 1.0  @r1 color 1  @r1 line 0, 0, 0, 0  @r2 off  @link r2 to g0  @r2 type above  @r2 linestyle 1  @r2 linewidth 1.0  @r2 color 1  @r2 line 0, 0, 0, 0  @r3 off  @link r3 to g0  @r3 type above  @r3 linestyle 1  @r3 linewidth 1.0  @r3 color 1  @r3 line 0, 0, 0, 0  @r4 off  @link r4 to g0  @r4 type above  @r4 linestyle 1  @r4 linewidth 1.0  @r4 color 1  @r4 line 0, 0, 0, 0  @g0 on  @g0 hidden false  @g0 type XY  @g0 stacked false  @g0 bar hgap 0.000000  @g0 fixedpoint off  @g0 fixedpoint type 0  @g0 fixedpoint xy 0.000000, 0.000000  @g0 fixedpoint format general general  @g0 fixedpoint prec 6, 6  @with g0  @ world 0, -1.25, 6, -0.4  @ stack world 0, 0, 0, 0  @ znorm 1  @ view 0.150000, 0.150000, 1.150000, 0.850000  @ title ""  @ title font 0  @ title size 1.500000  @ title color 1  @ subtitle ""  @ subtitle font 0  @ subtitle size 1.000000  @ subtitle color 1  @ xaxes scale Normal  @ yaxes scale Normal  @ xaxes invert off  @ yaxes invert off  @ xaxis on  @ xaxis type zero false  @ xaxis offset 0.000000 , 0.000000  @ xaxis bar on  @ xaxis bar color 1  @ xaxis bar linestyle 1  @ xaxis bar linewidth 2.0  @ xaxis label "R (a.u.)"  @ xaxis label layout para  @ xaxis label place auto  @ xaxis label char size 1.000000  @ xaxis label font 0  @ xaxis label color 1  @ xaxis label place normal  @ xaxis tick on  @ xaxis tick major 1  @ xaxis tick minor ticks 1  @ xaxis tick default 6  @ xaxis tick place rounded true  @ xaxis tick in  @ xaxis tick major size 1.000000  @ xaxis tick major color 1  @ xaxis tick major linewidth 1.0  @ xaxis tick major linestyle 1  @ xaxis tick major grid off  @ xaxis tick minor color 1  @ xaxis tick minor linewidth 1.0  @ xaxis tick minor linestyle 1  @ xaxis tick minor grid off  @ xaxis tick minor size 0.500000  @ xaxis ticklabel on  @ xaxis ticklabel format general  @ xaxis ticklabel prec 5  @ xaxis ticklabel formula ""  @ xaxis ticklabel append ""  @ xaxis ticklabel prepend ""  @ xaxis ticklabel angle 0  @ xaxis ticklabel skip 0  @ xaxis ticklabel stagger 0  @ xaxis ticklabel place normal  @ xaxis ticklabel offset auto  @ xaxis ticklabel offset 0.000000 , 0.010000  @ xaxis ticklabel start type auto  @ xaxis ticklabel start 0.000000  @ xaxis ticklabel stop type auto  @ xaxis ticklabel stop 0.000000  @ xaxis ticklabel char size 1.000000  @ xaxis ticklabel font 0  @ xaxis ticklabel color 1  @ xaxis tick place both  @ xaxis tick spec type none  @ yaxis on  @ yaxis type zero false  @ yaxis offset 0.000000 , 0.000000  @ yaxis bar on  @ yaxis bar color 1  @ yaxis bar linestyle 1  @ yaxis bar linewidth 2.0  @ yaxis label "E (a.u.)"  @ yaxis label layout para  @ yaxis label place auto  @ yaxis label char size 1.000000  @ yaxis label font 0  @ yaxis label color 1  @ yaxis label place normal  @ yaxis tick on  @ yaxis tick major 0.5  @ yaxis tick minor ticks 1  @ yaxis tick default 6  @ yaxis tick place rounded true  @ yaxis tick in  @ yaxis tick major size 1.000000  @ yaxis tick major color 1  @ yaxis tick major linewidth 1.0  @ yaxis tick major linestyle 1  @ yaxis tick major grid off  @ yaxis tick minor color 1  @ yaxis tick minor linewidth 1.0  @ yaxis tick minor linestyle 1  @ yaxis tick minor grid off  @ yaxis tick minor size 0.500000  @ yaxis ticklabel on  @ yaxis ticklabel format general  @ yaxis ticklabel prec 5  @ yaxis ticklabel formula ""  @ yaxis ticklabel append ""  @ yaxis ticklabel prepend ""  @ yaxis ticklabel angle 0  @ yaxis ticklabel skip 0  @ yaxis ticklabel stagger 0  @ yaxis ticklabel place normal  @ yaxis ticklabel offset auto  @ yaxis ticklabel offset 0.000000 , 0.010000  @ yaxis ticklabel start type auto  @ yaxis ticklabel start 0.000000  @ yaxis ticklabel stop type auto  @ yaxis ticklabel stop 0.000000  @ yaxis ticklabel char size 1.000000  @ yaxis ticklabel font 0  @ yaxis ticklabel color 1  @ yaxis tick place both  @ yaxis tick spec type none  @ altxaxis off  @ altyaxis off  @ legend on  @ legend loctype view  @ legend 0.8, 0.8  @ legend box color 1  @ legend box pattern 1  @ legend box linewidth 1.0  @ legend box linestyle 1  @ legend box fill color 0  @ legend box fill pattern 1  @ legend font 0  @ legend char size 1.000000  @ legend color 1  @ legend length 4  @ legend vgap 1  @ legend hgap 1  @ legend invert false  @ frame type 0  @ frame linestyle 1  @ frame linewidth 1.0  @ frame color 1  @ frame pattern 1  @ frame background color 0  @ frame background pattern 0  @ s0 hidden false  @ s0 type xy  @ s0 symbol 0  @ s0 symbol size 1.000000  @ s0 symbol color 1  @ s0 symbol pattern 1  @ s0 symbol fill color 1  @ s0 symbol fill pattern 0  @ s0 symbol linewidth 1.0  @ s0 symbol linestyle 1  @ s0 symbol char 65  @ s0 symbol char font 0  @ s0 symbol skip 0  @ s0 line type 1  @ s0 line linestyle 1  @ s0 line linewidth 2.0  @ s0 line color 1  @ s0 line pattern 1  @ s0 baseline type 0  @ s0 baseline off  @ s0 dropline off  @ s0 fill type 0  @ s0 fill rule 0  @ s0 fill color 1  @ s0 fill pattern 1  @ s0 avalue off  @ s0 avalue type 2  @ s0 avalue char size 1.000000  @ s0 avalue font 0  @ s0 avalue color 1  @ s0 avalue rot 0  @ s0 avalue format general  @ s0 avalue prec 3  @ s0 avalue prepend ""  @ s0 avalue append ""  @ s0 avalue offset 0.000000 , 0.000000  @ s0 errorbar on  @ s0 errorbar place both  @ s0 errorbar color 1  @ s0 errorbar pattern 1  @ s0 errorbar size 1.000000  @ s0 errorbar linewidth 1.0  @ s0 errorbar linestyle 1  @ s0 errorbar riser linewidth 1.0  @ s0 errorbar riser linestyle 1  @ s0 errorbar riser clip off  @ s0 errorbar riser clip length 0.100000  @ s0 comment "Cols 1:2"  @ s0 legend "RHF cc-pVTZ"  @ s1 hidden false  @ s1 type xy  @ s1 symbol 0  @ s1 symbol size 1.000000  @ s1 symbol color 2  @ s1 symbol pattern 1  @ s1 symbol fill color 2  @ s1 symbol fill pattern 0  @ s1 symbol linewidth 1.0  @ s1 symbol linestyle 1  @ s1 symbol char 65  @ s1 symbol char font 0  @ s1 symbol skip 0  @ s1 line type 1  @ s1 line linestyle 3  @ s1 line linewidth 2.0  @ s1 line color 2  @ s1 line pattern 1  @ s1 baseline type 0  @ s1 baseline off  @ s1 dropline off  @ s1 fill type 0  @ s1 fill rule 0  @ s1 fill color 1  @ s1 fill pattern 1  @ s1 avalue off  @ s1 avalue type 2  @ s1 avalue char size 1.000000  @ s1 avalue font 0  @ s1 avalue color 1  @ s1 avalue rot 0  @ s1 avalue format general  @ s1 avalue prec 3  @ s1 avalue prepend ""  @ s1 avalue append ""  @ s1 avalue offset 0.000000 , 0.000000  @ s1 errorbar on  @ s1 errorbar place both  @ s1 errorbar color 2  @ s1 errorbar pattern 1  @ s1 errorbar size 1.000000  @ s1 errorbar linewidth 1.0  @ s1 errorbar linestyle 1  @ s1 errorbar riser linewidth 1.0  @ s1 errorbar riser linestyle 1  @ s1 errorbar riser clip off  @ s1 errorbar riser clip length 0.100000  @ s1 comment "Cols 1:3"  @ s1 legend "RDMFT cc-pVTZ"  @ s2 hidden false  @ s2 type xy  @ s2 symbol 0  @ s2 symbol size 1.000000  @ s2 symbol color 4  @ s2 symbol pattern 1  @ s2 symbol fill color 4  @ s2 symbol fill pattern 0  @ s2 symbol linewidth 1.0  @ s2 symbol linestyle 1  @ s2 symbol char 65  @ s2 symbol char font 0  @ s2 symbol skip 0  @ s2 line type 1  @ s2 line linestyle 2  @ s2 line linewidth 2.0  @ s2 line color 4  @ s2 line pattern 1  @ s2 baseline type 0  @ s2 baseline off  @ s2 dropline off  @ s2 fill type 0  @ s2 fill rule 0  @ s2 fill color 1  @ s2 fill pattern 1  @ s2 avalue off  @ s2 avalue type 2  @ s2 avalue char size 1.000000  @ s2 avalue font 0  @ s2 avalue color 1  @ s2 avalue rot 0  @ s2 avalue format general  @ s2 avalue prec 3  @ s2 avalue prepend ""  @ s2 avalue append ""  @ s2 avalue offset 0.000000 , 0.000000  @ s2 errorbar on  @ s2 errorbar place both  @ s2 errorbar color 4  @ s2 errorbar pattern 1  @ s2 errorbar size 1.000000  @ s2 errorbar linewidth 1.0  @ s2 errorbar linestyle 1  @ s2 errorbar riser linewidth 1.0  @ s2 errorbar riser linestyle 1  @ s2 errorbar riser clip off  @ s2 errorbar riser clip length 0.100000  @ s2 comment "Cols 1:4"  @ s2 legend "RHF octopus"  @ s3 hidden false  @ s3 type xy  @ s3 symbol 0  @ s3 symbol size 1.000000  @ s3 symbol color 15  @ s3 symbol pattern 1  @ s3 symbol fill color 15  @ s3 symbol fill pattern 0  @ s3 symbol linewidth 1.0  @ s3 symbol linestyle 1  @ s3 symbol char 65  @ s3 symbol char font 0  @ s3 symbol skip 0  @ s3 line type 1  @ s3 line linestyle 6  @ s3 line linewidth 2.0  @ s3 line color 15  @ s3 line pattern 1  @ s3 baseline type 0  @ s3 baseline off  @ s3 dropline off  @ s3 fill type 0  @ s3 fill rule 0  @ s3 fill color 1  @ s3 fill pattern 1  @ s3 avalue off  @ s3 avalue type 2  @ s3 avalue char size 1.000000  @ s3 avalue font 0  @ s3 avalue color 1  @ s3 avalue rot 0  @ s3 avalue format general  @ s3 avalue prec 3  @ s3 avalue prepend ""  @ s3 avalue append ""  @ s3 avalue offset 0.000000 , 0.000000  @ s3 errorbar on  @ s3 errorbar place both  @ s3 errorbar color 15  @ s3 errorbar pattern 1  @ s3 errorbar size 1.000000  @ s3 errorbar linewidth 1.0  @ s3 errorbar linestyle 1  @ s3 errorbar riser linewidth 1.0  @ s3 errorbar riser linestyle 1  @ s3 errorbar riser clip off  @ s3 errorbar riser clip length 0.100000  @ s3 comment "Cols 1:5"  @ s3 legend "RDMFT octopus"  @target G0.S0  @type xy  0.5 -0.47956297  0.8 -0.9783135  0.9 -1.0425799  1 -1.0838307  1.1 -1.1094395  1.2 -1.124194  1.25 -1.1285484  1.3 -1.1313054  1.35 -1.1327136  1.4 -1.1329815  1.434314 -1.1325975  1.5 -1.1307705  1.7 -1.118798  2 -1.0910907  2.5 -1.0382051  3 -0.98859177  3.5 -0.94589818  4 -0.91029452  5 -0.85711278  6 -0.8217703  &  @target G0.S1  @type xy  0.5 -0.5286804  0.8 -1.0295299  0.9 -1.0946063  1 -1.1367499  1.1 -1.163359  1.2 -1.1792321  1.25 -1.1841949  1.3 -1.1875945  1.35 -1.189685  1.4 -1.1906748  1.434314 -1.1908091  1.5 -1.1900315  1.7 -1.1817426  2 -1.1610025  2.5 -1.1237754  3 -1.0944261  3.5 -1.0748563  4 -1.0628618  5 -1.0519082  6 -1.048609  &  @target G0.S2  @type xy  0.5 -0.47427259  0.8 -0.99130146  0.9 -1.0536848  1 -1.0917457  1.1 -1.1139449  1.2 -1.1258907  1.25 -1.1293563  1.3 -1.1316105  1.35 -1.1328127  1.4 -1.1330397  1.434314 -1.1326651  1.5 -1.13085  1.7 -1.1184289  2 -1.0907179  2.5 -1.0377916  3 -0.98832809  3.5 -0.94596387  4 -0.9107353  5 -0.85807547  6 -0.8230013  &  @target G0.S3  @type xy  0.5 -0.51384141  0.8 -1.034152  0.9 -1.097755  1 -1.13705  1.1 -1.16056  1.2 -1.173829  1.25 -1.177964  1.3 -1.180897  1.35 -1.182795  1.4 -1.18373  1.434314 -1.183846  1.5 -1.182997  1.7 -1.173637  2 -1.150787  2.5 -1.106263  3 -1.067145  3.5 -1.040316  4 -1.020996  5 -0.9995834  6 -0.98111  &  diff --git a/layout.md b/layout.md  index 316f29c..66600a9 100644  --- a/layout.md  +++ b/layout.md 
...
XC Functionals.tex  Optimal control.tex  RDMFT.tex  H2_curve  figures/rdmft_hf/rdmft_hf.png  Plasmonics.tex  figures/fig_plasmonics_octopus1/fig_plasmonics_octopus1.png