diff --git a/Data/H10/data_H10_vdz_cas1010 b/Data/H10/data_H10_vdz_cas1010 new file mode 100644 index 0000000..6992231 --- /dev/null +++ b/Data/H10/data_H10_vdz_cas1010 @@ -0,0 +1,12 @@ +# ExFCI LDA PBE PBEot PBEot/n +1.0 -4.21872019 -0.0486361128 -0.0494943245 -0.0518463428 -0.0492406811 +1.2 -5.02724990 -0.0425749008 -0.0417459664 -0.0443282508 -0.0422546989 +1.4 -5.40883722 -0.0364803168 -0.0340365384 -0.0366975553 -0.0350810734 +1.6 -5.57029860 -0.0322085435 -0.0287916742 -0.0312456840 -0.0298308816 +1.8 -5.61418865 -0.0294066088 -0.0253412550 -0.0273870327 -0.0260309955 +2.0 -5.59491224 -0.0274400874 -0.0228513142 -0.0243743084 -0.0230147830 +2.4 -5.47631276 -0.0250382960 -0.0196068339 -0.0197987931 -0.0183514807 +2.8 -5.33459653 -0.0238323677 -0.0177735576 -0.0162932037 -0.0147414796 +3.2 -5.21279518 -0.0231795197 -0.0167086019 -0.0133321572 -0.0117262395 +3.6 -5.12434404 -0.0227338875 -0.0160404805 -0.0106568054 -0.0090722544 + diff --git a/Data/H10/data_H10_vdz_cas1010_truncated b/Data/H10/data_H10_vdz_cas1010_truncated new file mode 100644 index 0000000..85f65c8 --- /dev/null +++ b/Data/H10/data_H10_vdz_cas1010_truncated @@ -0,0 +1,12 @@ +# CAS LDA PBE PBEot PBEot/n +1.0 -4.0940630555182125 -0.1165327398 -0.1260101251 -0.1171163612 -0.1015780781 +1.2 -4.9023878900939728 -0.1118420122 -0.1183771678 -0.1090668088 -0.0937263434 +1.4 -5.2892133974349225 -0.1080621203 -0.1126649205 -0.1022194066 -0.0871800616 +1.6 -5.4584506249293074 -0.1047984235 -0.1074395785 -0.0956746265 -0.0809724627 +1.8 -5.5115003480638336 -0.1019231311 -0.1024917893 -0.0892375496 -0.0749000546 +2.0 -5.5022273469386445 -0.0993576077 -0.0978839454 -0.0828418562 -0.0689568934 +2.4 -5.4045698939388913 -0.0948772734 -0.0895361018 -0.0697384486 -0.0571777717 +2.8 -5.2838675299868632 -0.0909616258 -0.0819895427 -0.0558217369 -0.0452188023 +3.2 -5.1805353173939901 -0.0874505726 -0.0751557501 -0.0417847122 -0.0335067018 +3.6 -5.1055712686896850 -0.0840572354 -0.0689122355 -0.0291346585 -0.0230591121 + diff --git a/Data/H10/data_H10_vqz_cas1010_truncated b/Data/H10/data_H10_vqz_cas1010_truncated new file mode 100644 index 0000000..4aa30e0 --- /dev/null +++ b/Data/H10/data_H10_vqz_cas1010_truncated @@ -0,0 +1,12 @@ +# CAS LDA PBE PBEot PBEot/n +1.0 -4.2425957670153380 -0.1137698788 -0.1202856883 -0.1118843538 -0.0965045752 +1.2 -4.9746328909651361 -0.1113160969 -0.1163816716 -0.1072229137 -0.0916199913 +1.4 -5.3298368240091651 -0.1082652432 -0.1123882038 -0.1018867173 -0.0863346699 +1.6 -5.4827623899041473 -0.1050104754 -0.1074253021 -0.0956321641 -0.0804877599 +1.8 -5.5271110505269334 -0.1020660678 -0.1025178443 -0.0892685613 -0.0746059578 +2.0 -5.5134099285221101 -0.0994362928 -0.0979165095 -0.0828921994 -0.0687915085 +2.4 -5.4125543958975424 -0.0949528957 -0.0896663462 -0.0698508812 -0.0572121124 +2.8 -5.2914087272834474 -0.0912121333 -0.0824173326 -0.0561621611 -0.0454997207 +3.2 -5.1881474059048651 -0.0878387099 -0.0758404469 -0.0423044076 -0.0339424629 +3.6 -5.1130559517835028 -0.0844388362 -0.0696878538 -0.0296162681 -0.0234514311 + diff --git a/Data/H10/data_H10_vtz_cas1010 b/Data/H10/data_H10_vtz_cas1010 new file mode 100644 index 0000000..093ac41 --- /dev/null +++ b/Data/H10/data_H10_vtz_cas1010 @@ -0,0 +1,12 @@ +# ExFCI LDA PBE PBEot PBEot/n +1.0 -4.39540937 -0.0171793464 -0.0154697621 -0.0190033127 -0.0187006360 +1.2 -5.13041555 -0.0145007772 -0.0127719801 -0.0161988159 -0.0159586157 +1.4 -5.47669741 -0.0122858495 -0.0106257072 -0.0137711050 -0.0135632978 +1.6 -5.61904085 -0.0107813783 -0.0091867326 -0.0120650257 -0.0118647928 +1.8 -5.65246065 -0.0097392389 -0.0081892385 -0.0107989970 -0.0105934344 +2.0 -5.62809801 -0.0089323574 -0.0074161619 -0.0097413071 -0.0095255836 +2.4 -5.50628511 -0.0079140196 -0.0063990173 -0.0081304592 -0.0078785712 +2.8 -5.36267549 -0.0074377193 -0.0058499889 -0.0068644975 -0.0065692668 +3.2 -5.23810210 -0.0071417119 -0.0054782526 -0.0055919869 -0.0052682987 +3.6 -5.14501489 -0.0069090490 -0.0051999845 -0.0043225085 -0.0039934122 + diff --git a/Data/H10/data_H10_vtz_cas1010_truncated b/Data/H10/data_H10_vtz_cas1010_truncated new file mode 100644 index 0000000..8ff851b --- /dev/null +++ b/Data/H10/data_H10_vtz_cas1010_truncated @@ -0,0 +1,12 @@ +# CAS LDA PBE PBEot PBEot/n +1.0 -4.2304957703263106 -0.1143837164 -0.1213256525 -0.1127127519 -0.0973235935 +1.2 -4.9700103024797322 -0.1114360430 -0.1167548578 -0.1074985128 -0.0918898566 +1.4 -5.3269154273450479 -0.1083504374 -0.1126459596 -0.1020948251 -0.0865298410 +1.6 -5.4803641672783616 -0.1051460180 -0.1077191484 -0.0958827825 -0.0806983504 +1.8 -5.5249093363562238 -0.1022538199 -0.1028540320 -0.0895640367 -0.0748419151 +2.0 -5.5114285806202243 -0.0996147815 -0.0982120974 -0.0831485127 -0.0689923278 +2.4 -5.4109223159578885 -0.0950591630 -0.0898316137 -0.0699607208 -0.0572906241 +2.8 -5.2898916601538053 -0.0912661491 -0.0824749492 -0.0561520704 -0.0454772563 +3.2 -5.1866878308270232 -0.0878497050 -0.0758159995 -0.0422077568 -0.0338509255 +3.6 -5.1116207957773838 -0.0844374501 -0.0696373332 -0.0294925656 -0.0233533409 + diff --git a/Data/H10/data_mrci+q b/Data/H10/data_mrci+q new file mode 100644 index 0000000..4ce32d8 --- /dev/null +++ b/Data/H10/data_mrci+q @@ -0,0 +1,12 @@ +#R DZ TZ QZ MRCI+Q+F12 : De=.6654 H +1.0 -4.21954 -- -- -4.4301 +1.2 -5.02812 -5.13118 -- -5.1506 +1.4 -5.40966 -5.47756 -5.48548 -5.4917 +1.6 -5.57110 -5.61985 -5.62710 -5.6321 +1.8 -5.61486 -5.65330 -5.66068 -5.6654 +2.0 -5.59552 -5.62892 -5.63645 -5.6410 +2.4 -5.47661 -5.50663 -5.51426 -5.5187 +2.8 -5.33470 -5.36307 -5.37099 -5.3753 +3.2 -5.21270 -5.23817 -5.24586 -5.2500 +3.6 -5.12397 -5.14463 -5.15150 -5.1553 + diff --git a/Data/H10/exact-H10 b/Data/H10/exact-H10 new file mode 100644 index 0000000..6baf297 --- /dev/null +++ b/Data/H10/exact-H10 @@ -0,0 +1,12 @@ +#R MRCI+Q+F12 DZ TZ QZ : De=.6654 H +1.0 -4.4301 -4.21954 -- -- +1.2 -5.1506 -5.02812 -5.13118 -- +1.4 -5.4917 -5.40966 -5.47756 -5.48548 +1.6 -5.6321 -5.57110 -5.61985 -5.62710 +1.8 -5.6654 -5.61486 -5.65330 -5.66068 +2.0 -5.6410 -5.59552 -5.62892 -5.63645 +2.4 -5.5187 -5.47661 -5.50663 -5.51426 +2.8 -5.3753 -5.33470 -5.36307 -5.37099 +3.2 -5.2500 -5.21270 -5.23817 -5.24586 +3.6 -5.1553 -5.12397 -5.14463 -5.15150 + diff --git a/Data/H10/plot_data.sh b/Data/H10/plot_data.sh new file mode 100755 index 0000000..0bfe535 --- /dev/null +++ b/Data/H10/plot_data.sh @@ -0,0 +1,53 @@ +#!/bin/bash + +basis=dz +atom=H +echo data_${atom}10_v${basis}_cas1010 + + # DZ + FCI=-4.992784034175441 + FCI_LDA=-4.992784034175441 + FCI_PBE=-4.992784034175441 + FCI_PBEont=-4.992784034175441 + FCI_PBEontden=-4.992784034175441 + # TZ + FCI=-4.998098113018433 + FCI_LDA=-4.998098113018433 + FCI_PBE=-4.998098113018433 + FCI_PBEont=-4.998098113018433 + FCI_PBEontden=-4.998098113018433 + + exact=-5.00000 + + +cat < plot.plt +plot "data_${atom}10_v${basis}_cas1010" u 1:3 w l lw 3 title "FCI ${basis}", $FCI w l lw 3 title "2*${atom} FCI", "" u 1:(\$3+\$6) w l lw 3 title "FCI ${basis}+LDA", $FCI_LDA w l lw 3 title "2*(FCI ${atom} + LDA)", 'exact-${atom}10' u (\$1 * 0.529177):2 w l lw 3 smooth csplines title "Exact spline" +set term eps +set output "${atom}2_${basis}_LDA.eps" +replot + +plot "data_${atom}10_v${basis}_cas1010" u 1:3 w l lw 3 title "FCI ${basis}", $FCI w l lw 3 title "2*${atom} FCI", "" u 1:(\$3+\$7) w l lw 3 title "FCI ${basis}+PBE", $FCI_PBE w l lw 3 title "2*(FCI ${atom} + PBE)", 'exact-${atom}10' u (\$1 * 0.529177):2 w l lw 3 smooth csplines title "Exact spline" +set term eps +set output "${atom}2_${basis}_PBE.eps" +replot + +plot "data_${atom}10_v${basis}_cas1010" u 1:3 w l lw 3 title "FCI ${basis}", $FCI w l lw 3 title "2*${atom} FCI", "" u 1:(\$3+\$8) w l lw 3 title "FCI ${basis}+PBE on top", $FCI_PBEont w l lw 3 title "2*(FCI ${atom} + PBE on top)", 'exact-${atom}10' u (\$1 * 0.529177):2 w l lw 3 smooth csplines title "Exact spline" +set term eps +set output "${atom}2_${basis}_PBE_on_top.eps" +replot + + +plot "data_${atom}10_v${basis}_cas1010" u 1:3 w l lw 3 title "FCI ${basis}", $FCI w l lw 3 title "2*${atom} FCI", "" u 1:(\$3+\$9) w l lw 3 title "FCI ${basis}+PBE on top / density", $FCI_PBEontden w l lw 3 title "2*(FCI ${atom} + PBE on top / density)", 'exact-${atom}10' u (\$1 * 0.529177):2 w l lw 3 smooth csplines title "Exact spline" +set term eps +set output "${atom}2_${basis}_PBE_on_top_den.eps" +replot + +set yrange [:0.05] +plot "data_${atom}10_v${basis}_cas1010" u 1:(\$3 - $FCI) w l lw 3 title "FCI ${basis}", "" u 1:(\$3+\$9 -$FCI_PBEontden ) w l lw 3 title "FCI ${basis}+PBE on top / density" , 'exact-${atom}10' u (\$1 * 0.529177):(\$2 - $exact) w l lw 3 smooth csplines title "Exact spline", 'exact-${atom}10' u (\$1 * 0.529177):(\$2 - $exact) w p ps 0.5 notitle +set term eps +set output "${atom}2_${basis}_PBE_on_top_den_vs_exact.eps" +replot + +EOF + +gnuplot plot.plt diff --git a/Data/H10/plot_data_mix.sh b/Data/H10/plot_data_mix.sh new file mode 100755 index 0000000..a074bee --- /dev/null +++ b/Data/H10/plot_data_mix.sh @@ -0,0 +1,34 @@ +#!/bin/bash + +basis=DZ +atom=N + +cat < plot_truncated.plt +#plot "data_${atom}2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", -108.7797414 w l lw 3 title "2*${atom} CAS", "" u 1:(\$2+\$3) w l lw 3 title "CAS+LDA", -108.91410101 w l lw 3 title "2*(CAS ${atom} + LDA)", "data_${atom}2_avdz_cas66" u 1:3 w l lw 3 title "FCI", -108.9739012 w l lw 3 title "2*${atom} FCI", "" u 1:(\$3+\$6) w l lw 3 title "FCI+LDA", -109.02698261 w l lw 3 title "2*(FCI ${atom} + LDA)" +plot "data_${atom}2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", "" u 1:(\$2+\$3) w l lw 3 title "CAS+LDA", "data_${atom}2_avdz_cas66" u 1:3 w l lw 3 title "FCI", "" u 1:(\$3+\$6) w l lw 3 title "FCI+LDA" +set term eps +set output "${atom}2_${basis}_LDA_tot.eps" +replot + +#plot "data_${atom}2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", -108.7797414 w l lw 3 title "2*${atom} CAS", "" u 1:(\$2+\$4) w l lw 3 title "CAS+PBE", -108.92104742 w l lw 3 title "2*(CAS ${atom} + PBE)", "data_${atom}2_avdz_cas66" u 1:3 w l lw 3 title "FCI", -108.9739012 w l lw 3 title "2*${atom} FCI", "" u 1:(\$3+\$7) w l lw 3 title "FCI+PBE", -109.02004929 w l lw 3 title "2*(FCI ${atom} + PBE)" +plot "data_${atom}2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", "" u 1:(\$2+\$4) w l lw 3 title "CAS+PBE", "data_${atom}2_avdz_cas66" u 1:3 w l lw 3 title "FCI", "" u 1:(\$3+\$7) w l lw 3 title "FCI+PBE" +set term eps +set output "${atom}2_${basis}_PBE_tot.eps" +replot + +#plot "data_${atom}2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", -108.7797414 w l lw 3 title "2*${atom} CAS", "" u 1:(\$2+\$5) w l lw 3 title "CAS+PBE on top", -108.90744369 w l lw 3 title "2*(CAS ${atom} + PBE on top)", "data_${atom}2_avdz_cas66" u 1:3 w l lw 3 title "FCI", -108.9739012 w l lw 3 title "2*${atom} FCI", "" u 1:(\$3+\$8) w l lw 3 title "FCI+PBE on top", -109.02337969 w l lw 3 title "2*(FCI ${atom} + PBE on top)" +plot "data_${atom}2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", "" u 1:(\$2+\$5) w l lw 3 title "CAS+PBE on top", "data_${atom}2_avdz_cas66" u 1:3 w l lw 3 title "FCI", "" u 1:(\$3+\$8) w l lw 3 title "FCI+PBE on top" +set term eps +set output "${atom}2_${basis}_PBE_on_top_tot.eps" +replot + + +#plot "data_${atom}2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", -108.7797414 w l lw 3 title "2*${atom} CAS", "" u 1:(\$2+\$6) w l lw 3 title "CAS+PBE on top", -108.89009886 w l lw 3 title "2*(CAS ${atom} + PBE on top)", "data_${atom}2_avdz_cas66" u 1:3 w l lw 3 title "FCI", -108.9739012 w l lw 3 title "2*${atom} FCI", "" u 1:(\$3+\$9) w l lw 3 title "FCI+PBE on top", -109.02120186 w l lw 3 title "2*(FCI ${atom} + PBE on top)" +plot "data_${atom}2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", "" u 1:(\$2+\$6) w l lw 3 title "CAS+PBE on top", "data_${atom}2_avdz_cas66" u 1:3 w l lw 3 title "FCI", "" u 1:(\$3+\$9) w l lw 3 title "FCI+PBE on top" +set term eps +set output "${atom}2_${basis}_PBE_on_top_den_tot.eps" +replot + +EOF + +gnuplot plot_truncated.plt diff --git a/Data/H10/plot_data_recap.sh b/Data/H10/plot_data_recap.sh new file mode 100755 index 0000000..56fc9a3 --- /dev/null +++ b/Data/H10/plot_data_recap.sh @@ -0,0 +1,30 @@ +basis=dz +atom=N + + FCI=-108.9739012 + FCI_LDA=-109.02698261 + FCI_PBE=-109.02004929 + FCI_PBEont=-109.02337969 + FCI_PBEontden=-109.02120186 + + tFCI=-109.03390852 + tFCI_LDA=-109.05776664519999 + tFCI_PBE=-109.0534328248 + tFCI_PBEont=-109.05786915259999 + tFCI_PBEontden=-109.057425162 + + exact=-109.1698 + + +cat < plot.plt + +set yrange [:0.1] +plot "data_${atom}2_av${basis}_cas66" u 1:(\$3 - $FCI) w l lw 3 title "FCI dz", "" u 1:(\$3+\$9 -$FCI_PBEontden ) w l lw 3 title "FCI dz +PBE on top / density" +replot "data_${atom}2_avtz_cas66" u 1:(\$3 - $tFCI) w l lw 3 title "FCI tz", "" u 1:(\$3+\$9 -$tFCI_PBEontden ) w l lw 3 title "FCI+PBE tz on top / density" , 'exact-${atom}2' u (\$1 * 0.529177):(\$2 - $exact) w l lw 3 smooth csplines title "Exact spline", 'exact-${atom}2' u (\$1 * 0.529177):(\$2 - $exact) w p ps 0.5 notitle +set term eps +set output "${atom}2_tz_PBE_on_top_den_recap.eps" +replot + +EOF + +gnuplot plot.plt diff --git a/Data/H10/plot_data_truncated.sh b/Data/H10/plot_data_truncated.sh new file mode 100755 index 0000000..69bfd52 --- /dev/null +++ b/Data/H10/plot_data_truncated.sh @@ -0,0 +1,56 @@ +#!/bin/bash + +basis=dz +atom=N +echo data_${atom}2_av${basis}_cas66_truncated + +ls data_${atom}2_av${basis}_cas66_truncated + + CAS=-108.77974145822795 + CAS_LDA=-108.91410109542795 + CAS_PBE=-108.92104742302794 + CAS_PBEot=-108.90744344182795 + CAS_PBEotden=-108.88995440442794 + +#CAS=-108.79521904536888 +#CAS_LDA=-108.92959598016888 +#CAS_PBE=-108.93664255376888 +#CAS_PBEot=-108.92304394976888 +#CAS_PBEotden=-108.90563120596889 + + + exact=-109.1698 + +cat < plot_truncated.plt +plot "data_${atom}2_av${basis}_cas66_truncated" u 1:2 w l lw 3 title "CAS", $CAS w l lw 3 title "2*${atom} CAS", "" u 1:(\$2+\$3) w l lw 3 title "CAS+LDA", $CAS_LDA w l lw 3 title "2*(CAS ${atom} + LDA)", 'exact-${atom}2' u (\$1 * 0.529177):2 w l lw 3 smooth csplines title "Exact spline" +set term eps +set output "${atom}2_${basis}_LDA_truncated.eps" +replot + +plot "data_${atom}2_av${basis}_cas66_truncated" u 1:2 w l lw 3 title "CAS", $CAS w l lw 3 title "2*${atom} CAS", "" u 1:(\$2+\$4) w l lw 3 title "CAS+PBE", $CAS_PBE w l lw 3 title "2*(CAS ${atom} + PBE)", 'exact-${atom}2' u (\$1 * 0.529177):2 w l lw 3 smooth csplines title "Exact spline" +set term eps +set output "${atom}2_${basis}_PBE_truncated.eps" +replot + +plot "data_${atom}2_av${basis}_cas66_truncated" u 1:2 w l lw 3 title "CAS", $CAS w l lw 3 title "2*${atom} CAS", "" u 1:(\$2+\$5) w l lw 3 title "CAS+PBE on top", $CAS_PBEot w l lw 3 title "2*(CAS ${atom} + PBE on top)", 'exact-${atom}2' u (\$1 * 0.529177):2 w l lw 3 smooth csplines title "Exact spline" +set term eps +set output "${atom}2_${basis}_PBE_on_top_truncated.eps" +replot + + +plot "data_${atom}2_av${basis}_cas66_truncated" u 1:2 w l lw 3 title "CAS", $CAS w l lw 3 title "2*${atom} CAS", "" u 1:(\$2+\$6) w l lw 3 title "CAS+PBE on top", $CAS_PBEotden w l lw 3 title "2*(CAS ${atom} + PBE on top)", 'exact-${atom}2' u (\$1 * 0.529177):2 w l lw 3 smooth csplines title "Exact spline" +set term eps +set output "${atom}2_${basis}_PBE_on_top_den_truncated.eps" +replot + +set yrange [:0.1] +plot "data_${atom}2_av${basis}_cas66_truncated" u 1:(\$2 - $CAS) w l lw 3 title "CAS $basis", "" u 1:(\$2+\$6 -$CAS_PBEotden ) w l lw 3 title "CAS $basis +PBE on top / density" , 'exact-${atom}2' u (\$1 * 0.529177):(\$2 - $exact) w l lw 3 smooth csplines title "Exact spline", 'exact-${atom}2' u (\$1 * 0.529177):(\$2 - $exact) w p ps 0.5 notitle +set term eps +set output "${atom}2_${basis}_PBE_on_top_den_vs_exact_truncated.eps" +replot + + + +EOF + +gnuplot plot_truncated.plt diff --git a/Manuscript/srDFT_SC.log b/Manuscript/srDFT_SC.log index a755cca..2ae5bb0 100644 --- a/Manuscript/srDFT_SC.log +++ b/Manuscript/srDFT_SC.log @@ -1,4 +1,4 @@ -This is pdfTeX, Version 3.14159265-2.6-1.40.16 (TeX Live 2015/Debian) (preloaded format=pdflatex 2018.10.13) 27 MAY 2019 18:10 +This is pdfTeX, Version 3.14159265-2.6-1.40.16 (TeX Live 2015/Debian) (preloaded format=pdflatex 2019.2.2) 2 JUN 2019 23:14 entering extended mode restricted \write18 enabled. %&-line parsing enabled. @@ -1862,11 +1862,11 @@ put line 221. LaTeX Font Info: Font shape `OT1/LinuxBiolinumT-TLF/b/n' will be (Font) scaled to size 9.0pt on input line 221. Package epstopdf Info: Source file: -(epstopdf) date: 2019-05-27 17:23:08 +(epstopdf) date: 2019-05-27 22:36:22 (epstopdf) size: 26669 bytes (epstopdf) Output file: -(epstopdf) date: 2019-05-27 17:23:33 +(epstopdf) date: 2019-05-27 22:36:22 (epstopdf) size: 11464 bytes (epstopdf) Command: @@ -1887,11 +1887,11 @@ Package pdftex.def Info: N2_dz_PBE_on_top_den_vs_exact-eps-converted-to.pdf use d on input line 233. (pdftex.def) Requested size: 510.0pt x 306.00317pt. Package epstopdf Info: Source file: -(epstopdf) date: 2019-05-27 17:13:55 +(epstopdf) date: 2019-05-27 22:36:22 (epstopdf) size: 26841 bytes (epstopdf) Output file: -(epstopdf) date: 2019-05-27 17:21:08 +(epstopdf) date: 2019-05-27 22:36:22 (epstopdf) size: 11493 bytes (epstopdf) Command: @@ -1974,11 +1974,11 @@ Package microtype Info: Loading generic settings for font family (microtype) See the microtype manual for details. Package epstopdf Info: Source file: -(epstopdf) date: 2019-05-27 17:20:09 +(epstopdf) date: 2019-05-27 22:36:22 (epstopdf) size: 27325 bytes (epstopdf) Output file: -(epstopdf) date: 2019-05-27 17:21:09 +(epstopdf) date: 2019-05-27 22:36:22 (epstopdf) size: 11714 bytes (epstopdf) Command: @@ -2001,11 +2001,11 @@ to.pdf used on input line 243. (pdftex.def) Requested size: 510.0pt x 306.00317pt. Package epstopdf Info: Source file: -(epstopdf) date: 2019-05-27 17:20:13 +(epstopdf) date: 2019-05-27 22:36:22 (epstopdf) size: 27225 bytes (epstopdf) Output file: -(epstopdf) date: 2019-05-27 17:21:09 +(epstopdf) date: 2019-05-27 22:36:22 (epstopdf) size: 11686 bytes (epstopdf) Command: @@ -2027,11 +2027,11 @@ Package pdftex.def Info: N2_tz_PBE_on_top_den_vs_exact_truncated-eps-converted- to.pdf used on input line 244. (pdftex.def) Requested size: 510.0pt x 306.00317pt. Package epstopdf Info: Source file: -(epstopdf) date: 2019-05-27 18:08:43 +(epstopdf) date: 2019-06-02 23:14:07 (epstopdf) size: 26944 bytes (epstopdf) Output file: -(epstopdf) date: 2019-05-27 18:10:16 +(epstopdf) date: 2019-06-02 23:14:14 (epstopdf) size: 11745 bytes (epstopdf) Command: @@ -2052,11 +2052,11 @@ Package pdftex.def Info: F2_dz_PBE_on_top_den_vs_exact-eps-converted-to.pdf use d on input line 253. (pdftex.def) Requested size: 510.0pt x 306.00317pt. Package epstopdf Info: Source file: -(epstopdf) date: 2019-05-27 18:08:43 +(epstopdf) date: 2019-06-02 23:14:07 (epstopdf) size: 26960 bytes (epstopdf) Output file: -(epstopdf) date: 2019-05-27 18:10:16 +(epstopdf) date: 2019-06-02 23:14:14 (epstopdf) size: 11736 bytes (epstopdf) Command: @@ -2112,8 +2112,8 @@ LaTeX Warning: There were multiply-defined labels. ) Here is how much of TeX's memory you used: 21180 strings out of 493029 - 370324 string characters out of 6136233 - 480282 words of memory out of 5000000 + 370324 string characters out of 6136235 + 480280 words of memory out of 5000000 24411 multiletter control sequences out of 15000+600000 37404 words of font info for 97 fonts, out of 8000000 for 9000 1141 hyphenation exceptions out of 8191 @@ -2124,7 +2124,7 @@ f-dist/fonts/enc/dvips/libertine/lbtn_c6xmqr.enc} -Output written on srDFT_SC.pdf (4 pages, 195470 bytes). +Output written on srDFT_SC.pdf (4 pages, 195474 bytes). PDF statistics: 108 PDF objects out of 1000 (max. 8388607) 79 compressed objects within 1 object stream