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beginning to work on data for H10

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This commit is contained in:
Emmanuel Giner 2019-06-03 12:44:05 +02:00
parent 496bc0b108
commit b40394e2a1
12 changed files with 273 additions and 16 deletions
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12
Data/H10/data_H10_vdz_cas1010 Normal file
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# 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

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Data/H10/data_H10_vdz_cas1010_truncated Normal file
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# 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

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Data/H10/data_H10_vqz_cas1010_truncated Normal file
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# 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

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Data/H10/data_H10_vtz_cas1010 Normal file
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# 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

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# 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

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#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

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Data/H10/exact-H10 Normal file
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#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

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Data/H10/plot_data.sh Executable file
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#!/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 <<EOF > 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

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Data/H10/plot_data_mix.sh Executable file
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#!/bin/bash
basis=DZ
atom=N
cat <<EOF > 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

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Data/H10/plot_data_recap.sh Executable file
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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 <<EOF > 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

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Data/H10/plot_data_truncated.sh Executable file
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#!/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 <<EOF > 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

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Manuscript/srDFT_SC.log
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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 entering extended mode
restricted \write18 enabled. restricted \write18 enabled.
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LaTeX Font Info: Font shape `OT1/LinuxBiolinumT-TLF/b/n' will be LaTeX Font Info: Font shape `OT1/LinuxBiolinumT-TLF/b/n' will be
(Font) scaled to size 9.0pt on input line 221. (Font) scaled to size 9.0pt on input line 221.
Package epstopdf Info: Source file: <N2_dz_PBE_on_top_den_vs_exact.eps> Package epstopdf Info: Source file: <N2_dz_PBE_on_top_den_vs_exact.eps>
(epstopdf) date: 2019-05-27 17:23:08 (epstopdf) date: 2019-05-27 22:36:22
(epstopdf) size: 26669 bytes (epstopdf) size: 26669 bytes
(epstopdf) Output file: <N2_dz_PBE_on_top_den_vs_exact-eps-converte (epstopdf) Output file: <N2_dz_PBE_on_top_den_vs_exact-eps-converte
d-to.pdf> d-to.pdf>
(epstopdf) date: 2019-05-27 17:23:33 (epstopdf) date: 2019-05-27 22:36:22
(epstopdf) size: 11464 bytes (epstopdf) size: 11464 bytes
(epstopdf) Command: <repstopdf --outfile=N2_dz_PBE_on_top_den_vs_ex (epstopdf) Command: <repstopdf --outfile=N2_dz_PBE_on_top_den_vs_ex
act-eps-converted-to.pdf N2_dz_PBE_on_top_den_vs_exact.eps> act-eps-converted-to.pdf N2_dz_PBE_on_top_den_vs_exact.eps>
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d on input line 233. d on input line 233.
(pdftex.def) Requested size: 510.0pt x 306.00317pt. (pdftex.def) Requested size: 510.0pt x 306.00317pt.
Package epstopdf Info: Source file: <N2_tz_PBE_on_top_den_vs_exact.eps> Package epstopdf Info: Source file: <N2_tz_PBE_on_top_den_vs_exact.eps>
(epstopdf) date: 2019-05-27 17:13:55 (epstopdf) date: 2019-05-27 22:36:22
(epstopdf) size: 26841 bytes (epstopdf) size: 26841 bytes
(epstopdf) Output file: <N2_tz_PBE_on_top_den_vs_exact-eps-converte (epstopdf) Output file: <N2_tz_PBE_on_top_den_vs_exact-eps-converte
d-to.pdf> d-to.pdf>
(epstopdf) date: 2019-05-27 17:21:08 (epstopdf) date: 2019-05-27 22:36:22
(epstopdf) size: 11493 bytes (epstopdf) size: 11493 bytes
(epstopdf) Command: <repstopdf --outfile=N2_tz_PBE_on_top_den_vs_ex (epstopdf) Command: <repstopdf --outfile=N2_tz_PBE_on_top_den_vs_ex
act-eps-converted-to.pdf N2_tz_PBE_on_top_den_vs_exact.eps> act-eps-converted-to.pdf N2_tz_PBE_on_top_den_vs_exact.eps>
@ -1974,11 +1974,11 @@ Package microtype Info: Loading generic settings for font family
(microtype) See the microtype manual for details. (microtype) See the microtype manual for details.
Package epstopdf Info: Source file: <N2_dz_PBE_on_top_den_vs_exact_truncated.ep Package epstopdf Info: Source file: <N2_dz_PBE_on_top_den_vs_exact_truncated.ep
s> s>
(epstopdf) date: 2019-05-27 17:20:09 (epstopdf) date: 2019-05-27 22:36:22
(epstopdf) size: 27325 bytes (epstopdf) size: 27325 bytes
(epstopdf) Output file: <N2_dz_PBE_on_top_den_vs_exact_truncated-ep (epstopdf) Output file: <N2_dz_PBE_on_top_den_vs_exact_truncated-ep
s-converted-to.pdf> s-converted-to.pdf>
(epstopdf) date: 2019-05-27 17:21:09 (epstopdf) date: 2019-05-27 22:36:22
(epstopdf) size: 11714 bytes (epstopdf) size: 11714 bytes
(epstopdf) Command: <repstopdf --outfile=N2_dz_PBE_on_top_den_vs_ex (epstopdf) Command: <repstopdf --outfile=N2_dz_PBE_on_top_den_vs_ex
act_truncated-eps-converted-to.pdf N2_dz_PBE_on_top_den_vs_exact_truncated.eps> act_truncated-eps-converted-to.pdf N2_dz_PBE_on_top_den_vs_exact_truncated.eps>
@ -2001,11 +2001,11 @@ to.pdf used on input line 243.
(pdftex.def) Requested size: 510.0pt x 306.00317pt. (pdftex.def) Requested size: 510.0pt x 306.00317pt.
Package epstopdf Info: Source file: <N2_tz_PBE_on_top_den_vs_exact_truncated.ep Package epstopdf Info: Source file: <N2_tz_PBE_on_top_den_vs_exact_truncated.ep
s> s>
(epstopdf) date: 2019-05-27 17:20:13 (epstopdf) date: 2019-05-27 22:36:22
(epstopdf) size: 27225 bytes (epstopdf) size: 27225 bytes
(epstopdf) Output file: <N2_tz_PBE_on_top_den_vs_exact_truncated-ep (epstopdf) Output file: <N2_tz_PBE_on_top_den_vs_exact_truncated-ep
s-converted-to.pdf> s-converted-to.pdf>
(epstopdf) date: 2019-05-27 17:21:09 (epstopdf) date: 2019-05-27 22:36:22
(epstopdf) size: 11686 bytes (epstopdf) size: 11686 bytes
(epstopdf) Command: <repstopdf --outfile=N2_tz_PBE_on_top_den_vs_ex (epstopdf) Command: <repstopdf --outfile=N2_tz_PBE_on_top_den_vs_ex
act_truncated-eps-converted-to.pdf N2_tz_PBE_on_top_den_vs_exact_truncated.eps> act_truncated-eps-converted-to.pdf N2_tz_PBE_on_top_den_vs_exact_truncated.eps>
@ -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. to.pdf used on input line 244.
(pdftex.def) Requested size: 510.0pt x 306.00317pt. (pdftex.def) Requested size: 510.0pt x 306.00317pt.
Package epstopdf Info: Source file: <F2_dz_PBE_on_top_den_vs_exact.eps> Package epstopdf Info: Source file: <F2_dz_PBE_on_top_den_vs_exact.eps>
(epstopdf) date: 2019-05-27 18:08:43 (epstopdf) date: 2019-06-02 23:14:07
(epstopdf) size: 26944 bytes (epstopdf) size: 26944 bytes
(epstopdf) Output file: <F2_dz_PBE_on_top_den_vs_exact-eps-converte (epstopdf) Output file: <F2_dz_PBE_on_top_den_vs_exact-eps-converte
d-to.pdf> d-to.pdf>
(epstopdf) date: 2019-05-27 18:10:16 (epstopdf) date: 2019-06-02 23:14:14
(epstopdf) size: 11745 bytes (epstopdf) size: 11745 bytes
(epstopdf) Command: <repstopdf --outfile=F2_dz_PBE_on_top_den_vs_ex (epstopdf) Command: <repstopdf --outfile=F2_dz_PBE_on_top_den_vs_ex
act-eps-converted-to.pdf F2_dz_PBE_on_top_den_vs_exact.eps> act-eps-converted-to.pdf F2_dz_PBE_on_top_den_vs_exact.eps>
@ -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. d on input line 253.
(pdftex.def) Requested size: 510.0pt x 306.00317pt. (pdftex.def) Requested size: 510.0pt x 306.00317pt.
Package epstopdf Info: Source file: <F2_tz_PBE_on_top_den_vs_exact.eps> Package epstopdf Info: Source file: <F2_tz_PBE_on_top_den_vs_exact.eps>
(epstopdf) date: 2019-05-27 18:08:43 (epstopdf) date: 2019-06-02 23:14:07
(epstopdf) size: 26960 bytes (epstopdf) size: 26960 bytes
(epstopdf) Output file: <F2_tz_PBE_on_top_den_vs_exact-eps-converte (epstopdf) Output file: <F2_tz_PBE_on_top_den_vs_exact-eps-converte
d-to.pdf> d-to.pdf>
(epstopdf) date: 2019-05-27 18:10:16 (epstopdf) date: 2019-06-02 23:14:14
(epstopdf) size: 11736 bytes (epstopdf) size: 11736 bytes
(epstopdf) Command: <repstopdf --outfile=F2_tz_PBE_on_top_den_vs_ex (epstopdf) Command: <repstopdf --outfile=F2_tz_PBE_on_top_den_vs_ex
act-eps-converted-to.pdf F2_tz_PBE_on_top_den_vs_exact.eps> act-eps-converted-to.pdf F2_tz_PBE_on_top_den_vs_exact.eps>
@ -2112,8 +2112,8 @@ LaTeX Warning: There were multiply-defined labels.
) )
Here is how much of TeX's memory you used: Here is how much of TeX's memory you used:
21180 strings out of 493029 21180 strings out of 493029
370324 string characters out of 6136233 370324 string characters out of 6136235
480282 words of memory out of 5000000 480280 words of memory out of 5000000
24411 multiletter control sequences out of 15000+600000 24411 multiletter control sequences out of 15000+600000
37404 words of font info for 97 fonts, out of 8000000 for 9000 37404 words of font info for 97 fonts, out of 8000000 for 9000
1141 hyphenation exceptions out of 8191 1141 hyphenation exceptions out of 8191
@ -2124,7 +2124,7 @@ f-dist/fonts/enc/dvips/libertine/lbtn_c6xmqr.enc}</usr/share/texlive/texmf-dist
/fonts/type1/public/libertine/LinBiolinumTB.pfb></usr/share/texlive/texmf-dist/ /fonts/type1/public/libertine/LinBiolinumTB.pfb></usr/share/texlive/texmf-dist/
fonts/type1/public/libertine/LinLibertineT.pfb></usr/share/texlive/texmf-dist/f fonts/type1/public/libertine/LinLibertineT.pfb></usr/share/texlive/texmf-dist/f
onts/type1/urw/palatino/uplr8a.pfb> onts/type1/urw/palatino/uplr8a.pfb>
Output written on srDFT_SC.pdf (4 pages, 195470 bytes). Output written on srDFT_SC.pdf (4 pages, 195474 bytes).
PDF statistics: PDF statistics:
108 PDF objects out of 1000 (max. 8388607) 108 PDF objects out of 1000 (max. 8388607)
79 compressed objects within 1 object stream 79 compressed objects within 1 object stream