mirror of https://github.com/QMCPACK/qmcpack.git
13381 lines
978 KiB
XML
13381 lines
978 KiB
XML
<?xml version="1.0" encoding="UTF-8"?>
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<pseudo version="0.5">
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<header symbol="C" atomic-number="6" zval="4" relativistic="no"
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polarized="no" creator="ppconvert" flavor="Troullier-Martins"
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core-corrections="no" xc-functional-type="GGA"
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xc-functional-parametrization="Perdew-Burke-Ernzerhof"/>
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<grid type="linear" units="bohr" ri="0" rf="1.00000000000000e+01"
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npts="10001"/>
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<semilocal units="hartree" format="r*V" npots-down="2" npots-up="0"
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l-local="1">
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<vps principal-n="0" l="s" spin="-1" cutoff="1.7" occupation="2">
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<radfunc>
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<grid type="linear" units="bohr" ri="0" rf="10" npts="10001"/>
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</data>
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</radfunc>
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</vps>
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</semilocal>
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|
<pseudowave-functions units="electrons/bohr^(-3/2)"
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|
format="u_n,l (r) = 1/r R_n,l (r)" n-pseudowave-functions-down="2"
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|
n-pseudowave-functions-up="0">
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<pswf principal-n="0" l="s" spin="-1">
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|
<radfunc>
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<grid type="linear" units="bohr" ri="0" rf="10" npts="10001"/>
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7.47158571682266e-03 7.46686287296908e-03 7.46214300586754e-03
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7.45742611372746e-03 7.45271219475825e-03 7.44800124714220e-03
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7.44329326895317e-03 7.43858825823787e-03 7.43388621304300e-03
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7.42918713141530e-03 7.42449101144998e-03 7.41979785143619e-03
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7.41510764971159e-03 7.41042040461384e-03 7.40573611448060e-03
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7.40105477758879e-03 7.39637639197251e-03 7.39170095560512e-03
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7.38702846645995e-03 7.38235892251039e-03 7.37769232177194e-03
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7.37302866242866e-03 7.36836794270678e-03 7.36371016083251e-03
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7.35905531503206e-03 7.35440340352182e-03 7.34975442447878e-03
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7.34510837607012e-03 7.34046525646299e-03 7.33582506382457e-03
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7.33118779631925e-03 7.32655345210030e-03 7.32192202931825e-03
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7.31729352612362e-03 7.31266794066689e-03 7.30804527111186e-03
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7.30342551567525e-03 7.29880867258706e-03 7.29419474007728e-03
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7.28958371637591e-03 7.28497559969345e-03 7.28037038816253e-03
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7.27576807989625e-03 7.27116867300777e-03 7.26657216561018e-03
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7.26197855583716e-03 7.25738784190435e-03 7.25280002204791e-03
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7.24821509450402e-03 7.24363305750884e-03 7.23905390928152e-03
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7.23447764797318e-03 7.22990427171793e-03 7.22533377864984e-03
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7.22076616690304e-03 7.21620143464248e-03 7.21163958015661e-03
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7.20708060176469e-03 7.20252449778606e-03 7.19797126653999e-03
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7.19342090630511e-03 7.18887341519744e-03 7.18432879129229e-03
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7.17978703266500e-03 7.17524813739091e-03 7.17071210358091e-03
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7.16617892948819e-03 7.16164861340156e-03 7.15712115360976e-03
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7.15259654840156e-03 7.14807479603535e-03 7.14355589464795e-03
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7.13903984234575e-03 7.13452663723516e-03 7.13001627742263e-03
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7.12550876106939e-03 7.12100408655607e-03 7.11650225231816e-03
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7.11200325679114e-03 7.10750709841046e-03 7.10301377554345e-03
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7.09852328628472e-03 7.09403562866073e-03 7.08955080069795e-03
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7.08506880042281e-03 7.08058962590791e-03 7.07611327541042e-03
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7.07163974723359e-03 7.06716903968073e-03 7.06270115105510e-03
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7.05823607964957e-03 7.05377382371518e-03 7.04931438149255e-03
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7.04485775122230e-03 7.04040393114505e-03 7.03595291949706e-03
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7.03150471449714e-03 7.02705931435974e-03 7.02261671729933e-03
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7.01817692153037e-03 7.01373992528495e-03 7.00930572686582e-03
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7.00487432459338e-03 7.00044571678800e-03 6.99601990177009e-03
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6.99159687783446e-03 6.98717664317377e-03 6.98275919595509e-03
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6.97834453434549e-03 6.97393265651208e-03 6.96952356064687e-03
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6.96511724504179e-03 6.96071370801373e-03 6.95631294787956e-03
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6.95191496295615e-03 6.94751975153883e-03 6.94312731183660e-03
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6.93873764203689e-03 6.93435074032716e-03 6.92996660489484e-03
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6.92558523396694e-03 6.92120662592875e-03 6.91683077920519e-03
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6.91245769222110e-03 6.90808736340137e-03 6.90371979111938e-03
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6.89935497354244e-03 6.89499290878638e-03 6.89063359496702e-03
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6.88627703020018e-03 6.88192321264487e-03 6.87757214063302e-03
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6.87322381253970e-03 6.86887822674002e-03 6.86453538160908e-03
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6.86019527548381e-03 6.85585790654850e-03 6.85152327294924e-03
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6.84719137283216e-03 6.84286220434337e-03 6.83853576569828e-03
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6.83421205538960e-03 6.82989107197934e-03 6.82557281402948e-03
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6.82125728010204e-03 6.81694446867406e-03 6.81263437788270e-03
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6.80832700578017e-03 6.80402235041866e-03 6.79972040985037e-03
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6.79542118218283e-03 6.79112466574478e-03 6.78683085892030e-03
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6.78253976009345e-03 6.77825136764832e-03 6.77396567995707e-03
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6.76968269534420e-03 6.76540241212236e-03 6.76112482860413e-03
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6.75684994310214e-03 6.75257775392133e-03 6.74830825933595e-03
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6.74404145761256e-03 6.73977734701776e-03 6.73551592581811e-03
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6.73125719230707e-03 6.72700114488566e-03 6.72274778198179e-03
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6.71849710202334e-03 6.71424910343821e-03 6.71000378461646e-03
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6.70576114379669e-03 6.70152117917966e-03 6.69728388896614e-03
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6.69304927135689e-03 6.68881732458651e-03 6.68458804702496e-03
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6.68036143707605e-03 6.67613749314357e-03 6.67191621363133e-03
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6.66769759691289e-03 6.66348164124088e-03 6.65926834483767e-03
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6.65505770592566e-03 6.65084972272723e-03 6.64664439352016e-03
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6.64244171680387e-03 6.63824169113318e-03 6.63404431506289e-03
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6.62984958714783e-03 6.62565750587407e-03 6.62146806945267e-03
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6.61728127602601e-03 6.61309712373639e-03 6.60891561072616e-03
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6.60473673518370e-03 6.60056049548145e-03 6.59638689003788e-03
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6.59221591727148e-03 6.58804757560073e-03 6.58388186343399e-03
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6.57971877913923e-03 6.57555832107429e-03 6.57140048759704e-03
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6.56724527706532e-03 6.56309268783138e-03 6.55894271822504e-03
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6.55479536657051e-03 6.55065063119201e-03 6.54650851041376e-03
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6.54236900258057e-03 6.53823210611964e-03 6.53409781947876e-03
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6.52996614110575e-03 6.52583706944838e-03 6.52171060292502e-03
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6.51758673983620e-03 6.51346547845302e-03 6.50934681704657e-03
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6.50523075388795e-03 6.50111728727599e-03 6.49700641562050e-03
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6.49289813735903e-03 6.48879245092912e-03 6.48468935476834e-03
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6.48058884728914e-03 6.47649092680367e-03 6.47239559159901e-03
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6.46830283996222e-03 6.46421267018036e-03 6.46012508058681e-03
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6.45604006970021e-03 6.45195763608549e-03 6.44787777830758e-03
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6.44380049493144e-03 6.43972578446400e-03 6.43565364518014e-03
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6.43158407529675e-03 6.42751707303072e-03 6.42345263659892e-03
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6.41939076425801e-03 6.41533145442367e-03 6.41127470555136e-03
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6.40722051609654e-03 6.40316888451465e-03 6.39911980925232e-03
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6.39507328872082e-03 6.39102932132257e-03 6.38698790546002e-03
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6.38294903953558e-03 6.37891272194728e-03 6.37487895107549e-03
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6.37084772529615e-03 6.36681904298523e-03 6.36279290251867e-03
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6.35876930228921e-03 6.35474824075687e-03 6.35072971639843e-03
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6.34671372769068e-03 6.34270027311042e-03 6.33868935111016e-03
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6.33468096004524e-03 6.33067509824673e-03 6.32667176404569e-03
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6.32267095577319e-03 6.31867267178420e-03 6.31467691052943e-03
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6.31068367048351e-03 6.30669295012103e-03 6.30270474791665e-03
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6.29871906232300e-03 6.29473589170495e-03 6.29075523440538e-03
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6.28677708876719e-03 6.28280145313327e-03 6.27882832588735e-03
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6.27485770557656e-03 6.27088959078884e-03 6.26692398011216e-03
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6.26296087213447e-03 6.25900026539225e-03 6.25504215821599e-03
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6.25108654888474e-03 6.24713343567750e-03 6.24318281687331e-03
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6.23923469078706e-03 6.23528905587713e-03 6.23134591063779e-03
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6.22740525356331e-03 6.22346708314794e-03 6.21953139787793e-03
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6.21559819620752e-03 6.21166747658290e-03 6.20773923745029e-03
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6.20381347725589e-03 6.19989019444209e-03 6.19596938743590e-03
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6.19205105466048e-03 6.18813519453903e-03 6.18422180549470e-03
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6.18031088596551e-03 6.17640243444886e-03 6.17249644945697e-03
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6.16859292950206e-03 6.16469187309638e-03 6.16079327873057e-03
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6.15689714480902e-03 6.15300346971452e-03 6.14911225182989e-03
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6.14522348953793e-03 6.14133718124333e-03 6.13745332543830e-03
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6.13357192063692e-03 6.12969296535327e-03 6.12581645810147e-03
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6.12194239737515e-03 6.11807078158626e-03 6.11420160912634e-03
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6.11033487838688e-03 6.10647058775942e-03 6.10260873567373e-03
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6.09874932071268e-03 6.09489234149739e-03 6.09103779664897e-03
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6.08718568478857e-03 6.08333600448890e-03 6.07948875412915e-03
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6.07564393204013e-03 6.07180153655263e-03 6.06796156599742e-03
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6.06412401873928e-03 6.06028889327866e-03 6.05645618814999e-03
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6.05262590188771e-03 6.04879803302623e-03 6.04497258009242e-03
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6.04114954158299e-03 6.03732891598707e-03 6.03351070179381e-03
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6.02969489749233e-03 6.02588150156806e-03 6.02207051249136e-03
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6.01826192872887e-03 6.01445574874725e-03 6.01065197101311e-03
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6.00685059400744e-03 6.00305161626854e-03 5.99925503634906e-03
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5.99546085280164e-03 5.99166906417893e-03 5.98787966901273e-03
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|
5.98409266575142e-03 5.98030805282256e-03 5.97652582865370e-03
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5.97274599167237e-03 5.96896854032745e-03 5.96519347315308e-03
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5.96142078870471e-03 5.95765048553779e-03 5.95388256220780e-03
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5.95011701724990e-03 5.94635384911816e-03 5.94259305624638e-03
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5.93883463706833e-03 5.93507859001779e-03 5.93132491356679e-03
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5.92757360634014e-03 5.92382466700090e-03 5.92007809421213e-03
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5.91633388663688e-03 5.91259204288990e-03 5.90885256139278e-03
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5.90511544051882e-03 5.90138067864131e-03 5.89764827413354e-03
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5.89391822540254e-03 5.89019053099026e-03 5.88646518947238e-03
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|
5.88274219942459e-03 5.87902155942257e-03 5.87530326803459e-03
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5.87158732379931e-03 5.86787372524800e-03 5.86416247091188e-03
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5.86045355932224e-03 5.85674698900619e-03 5.85304275847444e-03
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5.84934086623357e-03 5.84564131079018e-03 5.84194409065084e-03
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|
5.83824920433729e-03 5.83455665043196e-03 5.83086642753241e-03
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|
5.82717853423621e-03 5.82349296914093e-03 5.81980973082218e-03
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|
5.81612881776767e-03 5.81245022844315e-03 5.80877396131436e-03
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|
5.80510001484705e-03 5.80142838752912e-03 5.79775907793701e-03
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|
5.79409208466933e-03 5.79042740632466e-03 5.78676504150163e-03
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|
5.78310498877736e-03 5.77944724664315e-03 5.77579181356886e-03
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|
5.77213868802432e-03 5.76848786847936e-03 5.76483935344446e-03
|
|
5.76119314159253e-03 5.75754923163709e-03 5.75390762229168e-03
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|
5.75026831226984e-03 5.74663130023396e-03 5.74299658464196e-03
|
|
5.73936416390061e-03 5.73573403641671e-03 5.73210620059702e-03
|
|
5.72848065488355e-03 5.72485739785905e-03 5.72123642814150e-03
|
|
5.71761774434887e-03 5.71400134509914e-03 5.71038722900271e-03
|
|
5.70677539463978e-03 5.70316584058298e-03 5.69955856540493e-03
|
|
5.69595356767828e-03 5.69235084597068e-03 5.68875039882990e-03
|
|
5.68515222479875e-03 5.68155632242003e-03 5.67796269023656e-03
|
|
5.67437132680855e-03 5.67078223076601e-03 5.66719540075635e-03
|
|
5.66361083542699e-03 5.66002853342535e-03 5.65644849337383e-03
|
|
5.65287071379461e-03 5.64929519318492e-03 5.64572193004190e-03
|
|
5.64215092286275e-03 5.63858217016908e-03 5.63501567058017e-03
|
|
5.63145142273975e-03 5.62788942529153e-03 5.62432967687924e-03
|
|
5.62077217612250e-03 5.61721692154458e-03 5.61366391164465e-03
|
|
5.61011314492190e-03 5.60656461987548e-03 5.60301833505031e-03
|
|
5.59947428917411e-03 5.59593248102032e-03 5.59239290936241e-03
|
|
5.58885557297382e-03 5.58532047057088e-03 5.58178760064147e-03
|
|
5.57825696161635e-03 5.57472855192628e-03 5.57120237000203e-03
|
|
5.56767841431279e-03 5.56415668348153e-03 5.56063717616963e-03
|
|
5.55711989103850e-03 5.55360482674953e-03 5.55009198195613e-03
|
|
5.54658135527973e-03 5.54307294533377e-03 5.53956675073171e-03
|
|
5.53606277008698e-03 5.53256100200656e-03 5.52906144507153e-03
|
|
5.52556409785652e-03 5.52206895893615e-03 5.51857602688503e-03
|
|
5.51508530029925e-03 5.51159677786084e-03 5.50811045827326e-03
|
|
5.50462634023999e-03 5.50114442246454e-03 5.49766470361994e-03
|
|
5.49418718225757e-03 5.49071185689840e-03 5.48723872606337e-03
|
|
5.48376778827342e-03 5.48029904207793e-03 5.47683248613985e-03
|
|
5.47336811915051e-03 5.46990593980130e-03 5.46644594678356e-03
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|
5.46298813876019e-03 5.45953251428026e-03 5.45607907186438e-03
|
|
5.45262781003315e-03 5.44917872730719e-03 5.44573182226114e-03
|
|
5.44228709368577e-03 5.43884454042589e-03 5.43540416132631e-03
|
|
5.43196595523183e-03 5.42852992092045e-03 5.42509605690294e-03
|
|
5.42166436162323e-03 5.41823483352527e-03 5.41480747105302e-03
|
|
5.41138227269413e-03 5.40795923711118e-03 5.40453836301044e-03
|
|
5.40111964909821e-03 5.39770309408076e-03 5.39428869665561e-03
|
|
5.39087645548530e-03 5.38746636922355e-03 5.38405843652412e-03
|
|
5.38065265604077e-03 5.37724902641855e-03 5.37384754626768e-03
|
|
5.37044821418975e-03 5.36705102878628e-03 5.36365598865882e-03
|
|
5.36026309243622e-03 5.35687233885653e-03 5.35348372668508e-03
|
|
5.35009725468722e-03 5.34671292162828e-03 5.34333072623696e-03
|
|
5.33995066709529e-03 5.33657274274864e-03 5.33319695174240e-03
|
|
5.32982329262195e-03 5.32645176395932e-03 5.32308236443318e-03
|
|
5.31971509274886e-03 5.31634994761171e-03 5.31298692772704e-03
|
|
5.30962603179440e-03 5.30626725849022e-03 5.30291060648515e-03
|
|
5.29955607444982e-03 5.29620366105486e-03 5.29285336496740e-03
|
|
5.28950518484041e-03 5.28615911932333e-03 5.28281516706562e-03
|
|
5.27947332671672e-03 5.27613359693877e-03 5.27279597644472e-03
|
|
5.26946046396019e-03 5.26612705821082e-03 5.26279575792226e-03
|
|
5.25946656180161e-03 5.25613946848198e-03 5.25281447657796e-03
|
|
5.24949158470411e-03 5.24617079147503e-03 5.24285209552475e-03
|
|
5.23953549556515e-03 5.23622099032756e-03 5.23290857854330e-03
|
|
5.22959825894373e-03 5.22629003024004e-03 5.22298389106297e-03
|
|
5.21967984002312e-03 5.21637787573111e-03 5.21307799679753e-03
|
|
5.20978020187184e-03 5.20648448975878e-03 5.20319085930194e-03
|
|
5.19989930934489e-03 5.19660983873122e-03
|
|
</data>
|
|
</radfunc>
|
|
</pswf>
|
|
</pseudowave-functions>
|
|
</pseudo>
|