From c9be3e2cec24dc0b8c97ba93760591e323ecd9e3 Mon Sep 17 00:00:00 2001 From: eginer Date: Wed, 6 Mar 2019 17:18:56 +0100 Subject: [PATCH] added G2_CIPSI_VDZ_PBE.dat G2_CIPSI_VDZ_PBE_valence.dat --- Data/data_C2/V5Z_pbe_val.eps | 457 ++++++++++++++++++ Data/data_C2/VDZ_pbe_val.eps | 460 ++++++++++++++++++ Data/data_C2/VQZ_pbe_val.eps | 461 ++++++++++++++++++ Data/data_C2/VTZ_pbe_val.eps | 490 ++++++++++++++++++++ Data/data_C2/data_V5Z_pbe_ful | 5 + Data/data_C2/data_V5Z_pbe_val | 5 + Data/data_C2/data_VDZ_pbe_ful | 5 + Data/data_C2/data_VDZ_pbe_val | 5 + Data/data_C2/data_VQZ_pbe_ful | 5 + Data/data_C2/data_VQZ_pbe_val | 5 + Data/data_C2/data_VTZ_pbe_ful | 5 + Data/data_C2/data_VTZ_pbe_val | 5 + Data/data_C2/data_fci_V5Z | 1 + Data/data_C2/data_fci_VDZ | 1 + Data/data_C2/data_fci_VQZ | 1 + Data/data_C2/data_fci_VTZ | 1 + Data/data_C2/data_ful_V5Z | 5 + Data/data_C2/data_ful_VDZ | 5 + Data/data_C2/data_ful_VQZ | 5 + Data/data_C2/data_ful_VTZ | 5 + Data/data_C2/data_val_V5Z | 5 + Data/data_C2/data_val_VDZ | 5 + Data/data_C2/data_val_VQZ | 5 + Data/data_C2/data_val_VTZ | 5 + Data/data_C2/plot_V5Z.plt | 10 + Data/data_C2/plot_VDZ.plt | 10 + Data/data_C2/plot_VQZ.plt | 10 + Data/data_C2/plot_VTZ.plt | 10 + Data/data_last/G2_CIPSI_VDZ_PBE.dat | 67 +++ Data/data_last/G2_CIPSI_VDZ_PBE_valence.dat | 67 +++ Data/data_last/data.py | 8 +- Manuscript/G2-srDFT.pdf | Bin 242744 -> 243270 bytes Manuscript/G2-srDFT.tex | 16 +- 33 files changed, 2138 insertions(+), 12 deletions(-) create mode 100644 Data/data_C2/V5Z_pbe_val.eps create mode 100644 Data/data_C2/VDZ_pbe_val.eps create mode 100644 Data/data_C2/VQZ_pbe_val.eps create mode 100644 Data/data_C2/VTZ_pbe_val.eps create mode 100644 Data/data_C2/data_V5Z_pbe_ful create mode 100644 Data/data_C2/data_V5Z_pbe_val create mode 100644 Data/data_C2/data_VDZ_pbe_ful create mode 100644 Data/data_C2/data_VDZ_pbe_val create mode 100644 Data/data_C2/data_VQZ_pbe_ful create mode 100644 Data/data_C2/data_VQZ_pbe_val create mode 100644 Data/data_C2/data_VTZ_pbe_ful create mode 100644 Data/data_C2/data_VTZ_pbe_val create mode 100644 Data/data_C2/data_fci_V5Z create mode 100644 Data/data_C2/data_fci_VDZ create mode 100644 Data/data_C2/data_fci_VQZ create mode 100644 Data/data_C2/data_fci_VTZ create mode 100644 Data/data_C2/data_ful_V5Z create mode 100644 Data/data_C2/data_ful_VDZ create mode 100644 Data/data_C2/data_ful_VQZ create mode 100644 Data/data_C2/data_ful_VTZ create mode 100644 Data/data_C2/data_val_V5Z create mode 100644 Data/data_C2/data_val_VDZ create mode 100644 Data/data_C2/data_val_VQZ create mode 100644 Data/data_C2/data_val_VTZ create mode 100644 Data/data_C2/plot_V5Z.plt create mode 100644 Data/data_C2/plot_VDZ.plt create mode 100644 Data/data_C2/plot_VQZ.plt create mode 100644 Data/data_C2/plot_VTZ.plt create mode 100644 Data/data_last/G2_CIPSI_VDZ_PBE.dat create mode 100644 Data/data_last/G2_CIPSI_VDZ_PBE_valence.dat diff --git a/Data/data_C2/V5Z_pbe_val.eps b/Data/data_C2/V5Z_pbe_val.eps new file 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b/Data/data_C2/data_VDZ_pbe_ful new file mode 100644 index 0000000..4011ee2 --- /dev/null +++ b/Data/data_C2/data_VDZ_pbe_ful @@ -0,0 +1,5 @@ +0.000001 142.757679741 +0.0000001 142.677239849 +0.00000001 142.659023496 +0.000000001 142.656604007 +0.0000000001 142.657307571 diff --git a/Data/data_C2/data_VDZ_pbe_val b/Data/data_C2/data_VDZ_pbe_val new file mode 100644 index 0000000..53e38f5 --- /dev/null +++ b/Data/data_C2/data_VDZ_pbe_val @@ -0,0 +1,5 @@ +0.000001 145.721549939 +0.0000001 145.639409998 +0.00000001 145.621021958 +0.000000001 145.618605921 +0.0000000001 145.619324105 diff --git a/Data/data_C2/data_VQZ_pbe_ful b/Data/data_C2/data_VQZ_pbe_ful new file mode 100644 index 0000000..892f1ee --- /dev/null +++ b/Data/data_C2/data_VQZ_pbe_ful @@ -0,0 +1,5 @@ +0.000001 145.552042211 +0.0000001 145.389301673 +0.00000001 145.341044616 +0.000000001 145.327760049 +0.0000000001 145.324682617 diff --git a/Data/data_C2/data_VQZ_pbe_val b/Data/data_C2/data_VQZ_pbe_val new file mode 100644 index 0000000..cfff37f --- /dev/null +++ b/Data/data_C2/data_VQZ_pbe_val @@ -0,0 +1,5 @@ +0.000001 147.254519139 +0.0000001 147.086647643 +0.00000001 147.036769289 +0.000000001 147.023005305 +0.0000000001 147.019803625 diff --git a/Data/data_C2/data_VTZ_pbe_ful b/Data/data_C2/data_VTZ_pbe_ful new file mode 100644 index 0000000..7252e51 --- /dev/null +++ b/Data/data_C2/data_VTZ_pbe_ful @@ -0,0 +1,5 @@ +0.000001 142.85997209 +0.0000001 142.726380817 +0.00000001 142.685782827 +0.000000001 142.676932118 +0.0000000001 142.679386622 diff --git a/Data/data_C2/data_VTZ_pbe_val b/Data/data_C2/data_VTZ_pbe_val new file mode 100644 index 0000000..1e10670 --- /dev/null +++ b/Data/data_C2/data_VTZ_pbe_val @@ -0,0 +1,5 @@ +0.000001 146.898917916 +0.0000001 146.762153451 +0.00000001 146.720151221 +0.000000001 146.711036707 +0.0000000001 146.713549695 diff --git a/Data/data_C2/data_fci_V5Z b/Data/data_C2/data_fci_V5Z new file mode 100644 index 0000000..904efe4 --- /dev/null +++ b/Data/data_C2/data_fci_V5Z @@ -0,0 +1 @@ +-37.78876692 -75.80761254 diff --git a/Data/data_C2/data_fci_VDZ b/Data/data_C2/data_fci_VDZ new file mode 100644 index 0000000..57d401f --- /dev/null +++ b/Data/data_C2/data_fci_VDZ @@ -0,0 +1 @@ +-37.76050140 -75.73131243 diff --git a/Data/data_C2/data_fci_VQZ b/Data/data_C2/data_fci_VQZ new file mode 100644 index 0000000..dc0adf9 --- /dev/null +++ b/Data/data_C2/data_fci_VQZ @@ -0,0 +1 @@ +-37.78679899 -75.80245067 diff --git a/Data/data_C2/data_fci_VTZ b/Data/data_C2/data_fci_VTZ new file mode 100644 index 0000000..bdaa535 --- /dev/null +++ b/Data/data_C2/data_fci_VTZ @@ -0,0 +1 @@ +-37.78101801 -75.78558176 diff --git a/Data/data_C2/data_ful_V5Z b/Data/data_C2/data_ful_V5Z new file mode 100644 index 0000000..292307d --- /dev/null +++ b/Data/data_C2/data_ful_V5Z @@ -0,0 +1,5 @@ +0.000001 -0.0235992997 -0.0483685143 +0.0000001 -0.0235799647 -0.0480453179 +0.00000001 -0.0235748660 -0.0479526128 +0.000000001 -0.0235735198 -0.0479255025 +0.0000000001 -0.0235782360 -0.0479193693 diff --git a/Data/data_C2/data_ful_VDZ b/Data/data_C2/data_ful_VDZ new file mode 100644 index 0000000..206a72e --- /dev/null +++ b/Data/data_C2/data_ful_VDZ @@ -0,0 +1,5 @@ +0.000001 -0.0510807133 -0.1193505917 +0.0000001 -0.0510746764 -0.1192103288 +0.00000001 -0.0510744099 -0.1191807662 +0.000000001 -0.0510743880 -0.1191768667 +0.0000000001 -0.0510736546 -0.1191765211 diff --git a/Data/data_C2/data_ful_VQZ b/Data/data_C2/data_ful_VQZ new file mode 100644 index 0000000..2baaa4a --- /dev/null +++ b/Data/data_C2/data_ful_VQZ @@ -0,0 +1,5 @@ +0.000001 -0.0272364814 -0.0575721670 +0.0000001 -0.0272211212 -0.0572821031 +0.00000001 -0.0272143767 -0.0571917116 +0.000000001 -0.0272122613 -0.0571663105 +0.0000000001 -0.0272119204 -0.0571607245 diff --git a/Data/data_C2/data_ful_VTZ b/Data/data_C2/data_ful_VTZ new file mode 100644 index 0000000..6a8406c --- /dev/null +++ b/Data/data_C2/data_ful_VTZ @@ -0,0 +1,5 @@ +0.000001 -0.0388438211 -0.0818037105 +0.0000001 -0.0388259276 -0.0815550323 +0.00000001 -0.0388219815 -0.0814824431 +0.000000001 -0.0388215642 -0.0814675040 +0.0000000001 -0.0388185517 -0.0814653905 diff --git a/Data/data_C2/data_val_V5Z b/Data/data_C2/data_val_V5Z new file mode 100644 index 0000000..747498f --- /dev/null +++ b/Data/data_C2/data_val_V5Z @@ -0,0 +1,5 @@ +0.000001 -0.0017842013 -0.0073660628 +0.0000001 -0.0017636932 -0.0070312224 +0.00000001 -0.0017581960 -0.0069350707 +0.000000001 -0.0017568251 -0.0069069345 +0.0000000001 -0.0017617128 -0.0069005578 diff --git a/Data/data_C2/data_val_VDZ b/Data/data_C2/data_val_VDZ new file mode 100644 index 0000000..d2321ae --- /dev/null +++ b/Data/data_C2/data_val_VDZ @@ -0,0 +1,5 @@ +0.000001 -0.0144729123 -0.0508582165 +0.0000001 -0.0144667654 -0.0507150244 +0.00000001 -0.0144664943 -0.0506851790 +0.000000001 -0.0144664725 -0.0506812852 +0.0000000001 -0.0144657310 -0.0506809467 diff --git a/Data/data_C2/data_val_VQZ b/Data/data_C2/data_val_VQZ new file mode 100644 index 0000000..726eccb --- /dev/null +++ b/Data/data_C2/data_val_VQZ @@ -0,0 +1,5 @@ +0.000001 -0.0030252030 -0.0118626793 +0.0000001 -0.0030087526 -0.0115622583 +0.00000001 -0.0030015198 -0.0114683065 +0.000000001 -0.0029992945 -0.0114419216 +0.0000000001 -0.0029989394 -0.0114361092 diff --git a/Data/data_C2/data_val_VTZ b/Data/data_C2/data_val_VTZ new file mode 100644 index 0000000..3937a9f --- /dev/null +++ b/Data/data_C2/data_val_VTZ @@ -0,0 +1,5 @@ +0.000001 -0.0058294690 -0.0222114748 +0.0000001 -0.0058103795 -0.0219553478 +0.00000001 -0.0058063000 -0.0218802540 +0.000000001 -0.0058058566 -0.0218648423 +0.0000000001 -0.0058027689 -0.0218626716 diff --git a/Data/data_C2/plot_V5Z.plt b/Data/data_C2/plot_V5Z.plt new file mode 100644 index 0000000..b53086c --- /dev/null +++ b/Data/data_C2/plot_V5Z.plt @@ -0,0 +1,10 @@ + set log x + set format x "10^{%T}" + set xlabel "threshold CI" + set ylabel "D_e" + set key font "10,15" + set key center right + plot "data_V5Z_pbe_val" w lp title "V5Z PBE val" + set output "V5Z_pbe_val.eps" + set term eps + replot diff --git a/Data/data_C2/plot_VDZ.plt b/Data/data_C2/plot_VDZ.plt new file mode 100644 index 0000000..ad53953 --- /dev/null +++ b/Data/data_C2/plot_VDZ.plt @@ -0,0 +1,10 @@ + set log x + set format x "10^{%T}" + set xlabel "threshold CI" + set ylabel "D_e" + set key font "10,15" + set key center right + plot "data_VDZ_pbe_val" w lp title "VDZ PBE val" + set output "VDZ_pbe_val.eps" + set term eps + replot diff --git a/Data/data_C2/plot_VQZ.plt b/Data/data_C2/plot_VQZ.plt new file mode 100644 index 0000000..0bc9e40 --- /dev/null +++ b/Data/data_C2/plot_VQZ.plt @@ -0,0 +1,10 @@ + set log x + set format x "10^{%T}" + set xlabel "threshold CI" + set ylabel "D_e" + set key font "10,15" + set key center right + plot "data_VQZ_pbe_val" w lp title "VQZ PBE val" + set output "VQZ_pbe_val.eps" + set term eps + replot diff --git a/Data/data_C2/plot_VTZ.plt b/Data/data_C2/plot_VTZ.plt new file mode 100644 index 0000000..3c5d33b --- /dev/null +++ b/Data/data_C2/plot_VTZ.plt @@ -0,0 +1,10 @@ + set log x + set format x "10^{%T}" + set xlabel "threshold CI" + set ylabel "D_e" + set key font "10,15" + set key center right + plot "data_VTZ_pbe_val" w lp title "VTZ PBE val" + set output "VTZ_pbe_val.eps" + set term eps + replot diff --git a/Data/data_last/G2_CIPSI_VDZ_PBE.dat b/Data/data_last/G2_CIPSI_VDZ_PBE.dat new file mode 100644 index 0000000..ccd7a18 --- /dev/null +++ b/Data/data_last/G2_CIPSI_VDZ_PBE.dat @@ -0,0 +1,67 @@ +Be -14.6525934869 +BeH -15.2280885885 +C -37.8115711393 +C2H2 -77.2453651101 +C2H4 -78.4964272714 +C2H6 -79.7303607719 +CH -38.4391925064 +CH2_1A1 -39.0885688023 +CH2_3B1 -39.1039818471 +CH3 -39.7861220025 +CH3Cl -499.889445366 +CH4 -40.4631845902 +CN -92.6317159564 +CO -113.215605602 +CO2 -188.414102463 +CS -436.016730882 +Cl -459.970019263 +Cl2 -920.015615574 +ClF -559.688983676 +ClO -535.045389793 +F -99.6420744598 +F2 -199.334103074 +H -0.4992784 +H2CO -114.388691636 +H2O -76.3483672952 +H2O2 -151.398132836 +H2S -399.218235461 +H3COH -115.597284513 +H3CSH -438.481187642 +HCN -93.336430558 +HCO -113.738644586 +HCl -460.632433214 +HF -100.353131806 +HOCl -535.70754441 +Li -7.4644822742 +Li2 -14.9657649998 +LiF -107.313192739 +LiH -8.0500893996 +N -54.5407047121 +N2 -109.435444385 +N2H4 -111.741694052 +NH -55.1646850534 +NH2 -55.8154688926 +NH3 -56.4928570394 +NO -129.77422506 +Na -162.118111549 +Na2 -324.261835126 +NaCl -622.235185226 +O -74.9975227743 +O2 -150.178213573 +OH -75.6576590563 +P -341.107757102 +P2 -682.381844296 +PH2 -342.337356423 +PH3 -342.970940803 +S -397.943062719 +S2 -796.030887759 +SO -473.108433586 +SO2 -548.27283586 +Si -289.216363721 +Si2 -578.539048878 +Si2H6 -582.242992751 +SiH2_1A1 -290.447730582 +SiH2_3B1 -290.415934707 +SiH3 -291.060735371 +SiH4 -291.709500264 +SiO -364.488829039 diff --git a/Data/data_last/G2_CIPSI_VDZ_PBE_valence.dat b/Data/data_last/G2_CIPSI_VDZ_PBE_valence.dat new file mode 100644 index 0000000..f8a30b0 --- /dev/null +++ b/Data/data_last/G2_CIPSI_VDZ_PBE_valence.dat @@ -0,0 +1,67 @@ +Be -14.6525934869 +BeH -15.2280885885 +C -37.77495448 +C2H2 -77.1785106139 +C2H4 -78.4295813503 +C2H6 -79.6639266107 +CH -38.4035847905 +CH2_1A1 -39.0536047507 +CH2_3B1 -39.0696932584 +CH3 -39.752591966 +CH3Cl -499.544557501 +CH4 -40.4300412438 +CN -92.5639577203 +CO -113.148649079 +CO2 -188.316829534 +CS -435.67768237 +Cl -459.657812162 +Cl2 -919.391610861 +ClF -559.346326618 +ClO -534.700808839 +F -99.6107251168 +F2 -199.271675379 +H -0.4992784 +H2CO -114.322939075 +H2O -76.3163841497 +H2O2 -151.332936627 +H2S -398.914753252 +H3COH -115.532022506 +H3CSH -438.144291377 +HCN -93.2692424822 +HCO -113.672663495 +HCl -460.321084374 +HF -100.323047256 +HOCl -535.363216107 +Li -7.4644822742 +Li2 -14.9657649998 +LiF -107.283574476 +LiH -8.0500893996 +N -54.504189876 +N2 -109.367921659 +N2H4 -111.675255278 +NH -55.1297878564 +NH2 -55.7816443145 +NH3 -56.4598848231 +NO -129.708001844 +Na -162.096718178 +Na2 -324.219009633 +NaCl -621.902748771 +O -74.9632601139 +O2 -150.113488777 +OH -75.6246883299 +P -340.810421791 +P2 -681.788588341 +PH2 -342.041309937 +PH3 -342.675433593 +S -397.638128967 +S2 -795.422805549 +SO -472.772602683 +SO2 -547.906305454 +Si -288.926561047 +Si2 -577.960779475 +Si2H6 -581.667037902 +SiH2_1A1 -290.158660519 +SiH2_3B1 -290.126971128 +SiH3 -290.772284826 +SiH4 -291.42162663 +SiO -364.16747282 diff --git a/Data/data_last/data.py b/Data/data_last/data.py index 87d41ef..53da892 100755 --- a/Data/data_last/data.py +++ b/Data/data_last/data.py @@ -8,7 +8,7 @@ hf_lda = [] val_lda = [] -filepath = 'G2_cc-pVTZ.dat' +filepath = 'G2_cc-pVDZ.dat' with open(filepath, "r") as fp: cipsi = [] @@ -21,7 +21,7 @@ with open(filepath, "r") as fp: #print cipsi -filepath = 'data_HF_PBE_VTZ' +filepath = 'data_HF_PBE_VDZ' with open(filepath, "r") as fp2: for line in fp2: a=line.split() @@ -29,14 +29,14 @@ with open(filepath, "r") as fp2: hf_lda.append(a[1]) val_lda.append(a[2]) -file_PBE = open("G2_CIPSI_VTZ_PBE.dat","w+") +file_PBE = open("G2_CIPSI_VDZ_PBE.dat","w+") count=0 for e in ev: file_PBE.write(system[count] +' '+str(float(e)+float(hf_lda[count]))+'\n') count += 1 -file_PBE_val = open("G2_CIPSI_VTZ_PBE_valence.dat","w+") +file_PBE_val = open("G2_CIPSI_VDZ_PBE_valence.dat","w+") count=0 for e in ev: if (count==1): diff --git a/Manuscript/G2-srDFT.pdf b/Manuscript/G2-srDFT.pdf index e3b3c5b7d54fdbbdd00e9d451e53a79c53bdf197..d36c52c9dccb3260e7779f36d51b09bc1ee207a9 100644 GIT binary patch delta 90643 zcmV(!K;^%<=nls04iP0#L`E$!E;R}z(A34)3NkaX5VQjpGc+JDAa7!73OqatFHB`_ zXLM*FI5L+}vjZxBrB>T=(=ZTy&sXTt9-6H#tJ@>Jgtk*=+9AU*Ej)z86c340>J;eT zv+_EL(}sq^laANgJx9{<%2M12Dc1V^EXxXyI` zX?WI?ZPs$+)Ig~YQ>p@~>4g+ZSOeZD;k5zhjTp|T$S}u$ki9-QKhFEc=$19GI5<4Le0#W;9#nRCdhzabulwTF z;5pUkBN*u$)geR{pmxc|;K2JwCzV(&vVvFVN4bvK>*uJgv7po=>XX3^YKsAk*<>D7 zla#ftOsAj>Xr=l6Hc3=}EeSPfRLN0626oiRp#NikG~FgfYmkIGa~oqTpHV_ljp>-Q zmD#+SJ}@e)MR7M8^GA^aNpAxtMOBxJhm^}^w>Sk%yb^2fv8_g;5q 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zF9tgCKc1?)FOfHfjjn|AssOPes!lukMO5)17jTH6yb+=+gD4E;$2?@_GBNF;9=i%S z4Xu6{sxV`8cOo(P(Ai)~T4}rDVizHuCXIXg%9!>u(1w~C g@7?R$j%OnI5GtlfDySKr9F_AQ9H*uIqy$C%KTK~TBme*a diff --git a/Manuscript/G2-srDFT.tex b/Manuscript/G2-srDFT.tex index 711b7bd..30a0e2e 100644 --- a/Manuscript/G2-srDFT.tex +++ b/Manuscript/G2-srDFT.tex @@ -88,16 +88,16 @@ \subsection{The case of C$_2$ and the comparison with the F$_{12}$ methods.} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \begin{table*} -\caption{Dissociation energy ($D_e$) in kcal/mol of the C$_2$ molecule computed using FCIQMC, CIPSI, FCIQMC+F$_{12}$, CIPSI+LDA$_{\rm HF}$ and CIPSI+LDA$_{\text{HF-FC}}$ (frozen core interaction and density) in the Dunnng cc-pVXZ (VXZ) basis sets.} +\caption{Dissociation energy ($D_e$) in kcal/mol of the C$_2$ molecule computed using FCIQMC, CIPSI, FCIQMC+F$_{12}$, CIPSI+LDA$_{\rm HF}$ and CIPSI+LDA$_{\text{HF-val}}$ (valence only interaction and density) in the Dunnng cc-pVXZ (VXZ) basis sets.} \begin{ruledtabular} -\begin{tabular}{lccccc} +\begin{tabular}{lccccccc} %\hline - & FCIQMC & CIPSI & FCIQMC+F$_{12}$ & CIPSI+LDA$_{\text{HF}}$ & CIPSI+LDA${_\text{HF-FC}}$ \\ -\hline -V2Z & 130.0 & 132.0 & 142.3 & 141.9 & 142.9 \\ -V3Z & 139.9 & 140.3 & 145.3 & 142.8 & 145.5 \\ -V4Z & - & 143.6 & - & 145.8 & 146.2 \\ -V5Z & - & 144.3 & - & 145.1 & 146.1 \\ + & FCIQMC & CIPSI & FCIQMC+F$_{12}$ & CIPSI+LDA$_{\text{HF}}$ & CIPSI+LDA${_\text{HF-val}}$ & CIPSI+PBE$_{\text{HF}}$ & CIPSI+PBE${_\text{HF-val}}$ \\ +\hline +V2Z & 130.0 & 132.0 & 142.3 & 141.9 & 142.9 & 142.7 & 145.6 \\ +V3Z & 139.9 & 140.3 & 145.3 & 142.8 & 145.5 & 142.7 & 146.7 \\ +V4Z & - & 143.6 & - & 145.8 & 146.2 & 145.3 & 147.0 \\ +V5Z & - & 144.3 & - & 145.1 & 146.1 & 144.9 & 146.5 \\ %\hline & \multicolumn{5}{c}{Estimated exact} \\ & \multicolumn{5}{c}{ 146.9} \\