mirror of https://github.com/QMCPACK/qmcpack.git
115 lines
71 KiB
Plaintext
115 lines
71 KiB
Plaintext
&FCI
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UHF = 1
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FullMO
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CMajor
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NCI= 2
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TYPE = matrix
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/
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Coefficients: (0.95,0.0) (0.312249899919920,0.0)
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Determinant: 1
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(-1.455923409936484e-10,0) (3.660780904661097e-12,0) (2.472305507008706e-12,0) (-7.375887166139113e-13,0) (-5.728096083639939e-13,0) (-1.311871560279805e-11,0) (-2.01423314345868e-11,0) (0.1792631638284961,0) (5.931554345666512e-12,0) (1.34201562321696e-11,0) (-9.648153460615413e-12,0) (-1.214168619571895e-09,0) (2.522328337592223e-15,0) (-1.477983939821642e-16,0) (-7.233378310472321e-11,0) (-8.535880245285884e-11,0) (-3.564563503076431e-10,0) (-4.381312326947729e-12,0) (-9.156763403994382e-12,0) (6.785438611896e-12,0) (-3.476321491034284e-12,0) (5.788970703211142e-11,0) (2.532575494344164e-11,0) (1.504083168445473e-16,0) (-2.274438141291742e-15,0) (-0.9838011578028345,0)
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(-1.551146250013026e-10,0) (-0.2704682422898792,0) (-0.1826003490888041,0) (0.05450825904459417,0) (-1.8100496899293e-11,0) (-4.327064542441246e-10,0) (-6.641736570633673e-10,0) (1.891897982880275e-10,0) (-0.3057603351218147,0) (-0.6916543793672574,0) (0.4972777662641855,0) (-2.801758824944045e-11,0) (7.830321834311622e-14,0) (9.202169981968087e-15,0) (1.277950402259804e-09,0) (1.508141498602515e-09,0) (6.300216662237198e-09,0) (-0.0958214592965546,0) (-0.2003784956456321,0) (0.1484562517708903,0) (-1.812873384281932e-10,0) (3.012306941764994e-09,0) (1.317568742009393e-09,0) (5.719372650224853e-15,0) (-4.110721350911947e-14,0) (2.011484565424869e-11,0)
|
|
(6.572118987957003e-14,0) (0.09821357478708721,0) (-0.05247088995013579,0) (0.3115573753006357,0) (2.86628455825284e-10,0) (6.520898632397342e-10,0) (-4.327144856725416e-10,0) (-6.43223475426209e-15,0) (0.591629054322219,0) (-0.5525478704387849,0) (-0.4047545861421543,0) (-3.374939216982398e-13,0) (8.155638847584344e-13,0) (-2.058623481272706e-12,0) (5.241832814423532e-09,0) (-4.531146964286023e-09,0) (2.152196863750703e-11,0) (-0.2296361829693945,0) (0.008876157639358192,0) (-0.1362386750530963,0) (-1.731902122297287e-09,0) (-1.270307545513892e-09,0) (2.666098478164391e-09,0) (4.046930695653348e-10,0) (1.539437362859791e-10,0) (2.569800443837676e-17,0)
|
|
(5.532840698124144e-13,0) (-0.163303791940359,0) (0.2708708542718661,0) (0.09709763390810359,0) (-7.8181672828395e-10,0) (2.499842253903935e-10,0) (-1.404352101428952e-10,0) (-1.102576706050418e-14,0) (0.6128996973919022,0) (0.1883226472337113,0) (0.6387870564793022,0) (2.081140815235472e-12,0) (2.154361399634014e-12,0) (7.740820164741654e-13,0) (-4.328110277951762e-09,0) (-4.998113465260912e-09,0) (2.075784674105649e-09,0) (-0.09725231289517407,0) (0.176471580988781,0) (0.1754203751664763,0) (-2.94805078171529e-09,0) (5.46931735838807e-10,0) (-1.653939026348094e-09,0) (-1.539660689366698e-10,0) (4.04648805495372e-10,0) (-1.952345006172661e-15,0)
|
|
(1.979670176816422e-10,0) (4.551700240112226e-10,0) (3.06676723272186e-10,0) (-9.225040317047024e-11,0) (-0.02083760012486016,0) (-0.4803628974961692,0) (-0.7378720690027606,0) (-8.340448157737917e-10,0) (-1.05914195537614e-09,0) (-2.399009668132042e-09,0) (1.724679269601721e-09,0) (2.048025049780235e-11,0) (-1.058523851554605e-12,0) (1.93179600019975e-13,0) (-0.07371217949914635,0) (-0.08685761272356747,0) (-0.3629876984106896,0) (-1.161508108776065e-10,0) (-2.421429294356292e-10,0) (1.796418606024386e-10,0) (0.01554100414643649,0) (-0.2581079986642702,0) (-0.1129735793861134,0) (-5.230808330161764e-16,0) (2.862802661135267e-14,0) (-4.124801718787777e-12,0)
|
|
(-4.622411876546458e-12,0) (-7.614311191490556e-11,0) (-4.663059150142041e-11,0) (-5.339202694515651e-10,0) (0.05096857415671113,0) (0.7361828486122876,0) (-0.4807025552495692,0) (1.743302934983058e-13,0) (2.68421887487834e-09,0) (-1.71186233806007e-09,0) (-7.31477053806157e-10,0) (-1.226988210272257e-12,0) (-5.799491981546602e-10,0) (7.590072380127807e-10,0) (-0.2068321669344463,0) (0.31749681145113,0) (-0.03397075252312786,0) (-3.16117189778028e-10,0) (7.613431200397811e-11,0) (-1.013078728212306e-10,0) (0.206854724102208,0) (0.08727309408568133,0) (-0.1709351304207428,0) (-1.316763254857533e-12,0) (-9.902304359544318e-13,0) (-7.920863266654251e-16,0)
|
|
(-5.734594279898288e-13,0) (3.034127300508701e-10,0) (-4.489486154750168e-10,0) (-5.328921058173135e-12,0) (-0.8789800496182035,0) (0.05407608552712539,0) (-0.01038162394133264,0) (-4.616116126710697e-14,0) (1.500757057028831e-09,0) (1.226004806833292e-09,0) (2.630642602908525e-09,0) (-1.30741292515788e-13,0) (-7.599646679825198e-10,0) (-5.792349979701353e-10,0) (0.310684329400475,0) (0.1907598314621303,0) (-0.1087369153105778,0) (-3.448159443091782e-11,0) (2.119054264241078e-10,0) (2.647598730555981e-10,0) (0.1912952925750823,0) (-0.0734027182360598,0) (0.1940165988775542,0) (1.010800967736815e-12,0) (-1.279980794875026e-12,0) (-1.758952388304774e-15,0)
|
|
(-9.952813096925872e-17,0) (2.772234285221352e-13,0) (-2.426026332950355e-13,0) (4.327305379990491e-13,0) (5.467102660917481e-10,0) (5.256181436331225e-10,0) (-3.578245463277353e-10,0) (-4.194751666058484e-17,0) (-8.727329234667484e-13,0) (1.490838052815038e-12,0) (1.56623526877898e-12,0) (-1.223944610337533e-16,0) (-0.0006180270318980906,0) (-0.9999998090212752,0) (-2.84172514803527e-10,0) (1.098352021685447e-10,0) (3.13603477994308e-11,0) (6.969440566229623e-13,0) (2.052167587147683e-13,0) (7.388752624152833e-13,0) (6.039767073411047e-11,0) (1.426088611038699e-10,0) (-3.176821497641474e-10,0) (-5.221801886244409e-10,0) (-2.267822649995542e-12,0) (1.331007302777781e-16,0)
|
|
(5.227818467580963e-12,0) (4.392357725452172e-13,0) (-4.7336685630456e-13,0) (-5.253259198190668e-13,0) (6.363919892379295e-10,0) (-4.665835182127009e-10,0) (2.869184507162851e-10,0) (-1.989818559664752e-14,0) (2.127911172378175e-12,0) (-1.605556706809743e-13,0) (1.334375069355165e-12,0) (1.266960091195125e-12,0) (-0.9999998090212766,0) (0.0006180270318980916,0) (-9.770151759491973e-11,0) (-2.77498281539497e-10,0) (8.662227347516684e-11,0) (-7.386428794501262e-13,0) (6.578358664557817e-13,0) (5.155643547497932e-13,0) (-3.479958012603887e-10,0) (6.95132912655125e-12,0) (-6.304550836981519e-11,0) (-2.267592413763374e-12,0) (5.221756963656028e-10,0) (-5.980268291701552e-15,0)
|
|
(0.9813954557491207,0) (-6.342807279402507e-09,0) (-4.196520348061889e-09,0) (1.278348703177084e-09,0) (4.904637782284499e-12,0) (1.232532363334619e-10,0) (1.812698016764795e-10,0) (2.968183926991181e-09,0) (7.735718465248244e-10,0) (1.772027000586749e-09,0) (-1.298097551810985e-09,0) (0.1919972901761261,0) (5.373809085891615e-12,0) (-3.442332822441534e-15,0) (-3.926213931460635e-12,0) (-2.420189808063329e-12,0) (-1.621319747558809e-11,0) (3.863536769545447e-10,0) (7.96728301714324e-10,0) (-6.031773246667216e-10,0) (-1.318813918792276e-12,0) (3.773016208868773e-11,0) (1.575168383888633e-11,0) (-1.621322981468444e-15,0) (3.815461098529893e-13,0) (1.60371677902134e-10,0)
|
|
(7.905078578407882e-09,0) (0.7696787110641169,0) (0.5211105902314218,0) (-0.1557671355756246,0) (3.393459596737715e-11,0) (7.928942187687182e-10,0) (1.219111787192157e-09,0) (-1.604441106797028e-11,0) (-0.102236688713282,0) (-0.2314028185410849,0) (0.1658499605149023,0) (1.910673397276241e-09,0) (2.223054321977209e-13,0) (2.418063476258067e-14,0) (4.501701413200679e-11,0) (5.300186080468973e-11,0) (2.221635863970506e-10,0) (-0.05111807612094432,0) (-0.1068809207794551,0) (0.07894701181376723,0) (-2.927978586217398e-11,0) (4.869954209832114e-10,0) (2.13554243878151e-10,0) (8.76874982705115e-14,0) (-1.969034076075818e-14,0) (-2.279179826491043e-12,0)
|
|
(-2.913480238612938e-12,0) (0.1372193420683231,0) (0.07513255039914597,0) (0.9293820130268782,0) (9.517439525505451e-11,0) (1.242541515031553e-09,0) (-8.117007907898533e-10,0) (-1.789149586026284e-14,0) (-0.2476538365544551,0) (0.1592077758870693,0) (0.06947134534143416,0) (4.787836793695988e-14,0) (-1.018431454548958e-12,0) (1.102310610683523e-12,0) (-1.233384308542958e-10,0) (1.868963165028289e-10,0) (-1.969917950015001e-11,0) (0.1320078194326987,0) (-0.03119231569706988,0) (0.04324574497502195,0) (3.912261445231035e-10,0) (1.669487432402965e-10,0) (-3.274826164409923e-10,0) (-5.777090228057222e-11,0) (-4.397274594978561e-11,0) (-2.63137429635803e-15,0)
|
|
(-8.543066272869082e-11,0) (-0.5262988719496646,0) (0.7816801291250544,0) (0.01451369087625489,0) (-1.484473021700566e-09,0) (9.900605970479156e-11,0) (-2.559427021064807e-11,0) (1.521186134221387e-14,0) (-0.1404316349849089,0) (-0.1123006266584508,0) (-0.2432556918804495,0) (-1.262223658926587e-11,0) (-1.341375327154575e-12,0) (-8.434145314585971e-13,0) (1.827109827773659e-10,0) (1.142070822283646e-10,0) (-6.486558307809249e-11,0) (0.01516895963118103,0) (-0.08872839306015574,0) (-0.1103013795775801,0) (3.668792701896581e-10,0) (-1.392876128336788e-10,0) (3.666001811231444e-10,0) (4.394365676081501e-11,0) (-5.780521397963312e-11,0) (1.857115878496936e-15,0)
|
|
Determinant: 2
|
|
(-1.455923409936484e-10,0) (3.660780904661097e-12,0) (2.472305507008706e-12,0) (-7.375887166139113e-13,0) (-5.728096083639939e-13,0) (-1.311871560279805e-11,0) (-2.01423314345868e-11,0) (0.1792631638284961,0) (5.931554345666512e-12,0) (1.34201562321696e-11,0) (-9.648153460615413e-12,0) (-1.214168619571895e-09,0) (2.522328337592223e-15,0) (-1.477983939821642e-16,0) (-7.233378310472321e-11,0) (-8.535880245285884e-11,0) (-3.564563503076431e-10,0) (-4.381312326947729e-12,0) (-9.156763403994382e-12,0) (6.785438611896e-12,0) (-3.476321491034284e-12,0) (5.788970703211142e-11,0) (2.532575494344164e-11,0) (1.504083168445473e-16,0) (-2.274438141291742e-15,0) (-0.9838011578028345,0)
|
|
(-2.170759944458183e-11,0) (-4.223978519638266e-10,0) (-2.850930145221398e-10,0) (8.516853033096701e-11,0) (-0.0006482808560671414,0) (-0.01492454736813705,0) (-0.02291442334679211,0) (4.012562162400404e-10,0) (-3.209437756965816e-10,0) (-7.260452854884766e-10,0) (5.220237972479e-10,0) (-8.343188167646451e-11,0) (-2.504986916290332e-15,0) (-5.663306176898004e-16,0) (-0.1072391917922289,0) (-0.1265474829255555,0) (-0.5284629535115927,0) (1.909123530798915e-10,0) (3.992853756332404e-10,0) (-2.957978624710294e-10,0) (-0.04571376887564373,0) (0.761223975554383,0) (0.3330352447888894,0) (1.601899226358596e-15,0) (1.000150626124336e-15,0) (3.376511187465701e-10,0)
|
|
(5.158940891322934e-14,0) (2.035172825787795e-10,0) (-3.908683914719143e-10,0) (-2.997843302002651e-10,0) (0.02167293804133558,0) (-0.01425802478182021,0) (0.008673332617154448,0) (-2.425708059215304e-15,0) (-9.239645103192302e-10,0) (-1.684021918652953e-11,0) (-5.915210745709633e-10,0) (-3.678007207230793e-14,0) (-1.01371416311985e-10,0) (-5.469438857861632e-12,0) (-0.2043276008544886,0) (-0.4897349914684929,0) (0.1587370631941021,0) (-4.763175439311803e-10,0) (5.038821645543298e-10,0) (3.726188993395137e-10,0) (0.8096563509716754,0) (-0.03410735254976886,0) (0.1890964358455302,0) (7.425585363755079e-14,0) (-1.252381646153436e-12,0) (-4.414597858521007e-16,0)
|
|
(0,0) (2.297949151524568e-10,0) (-2.114858811407576e-10,0) (4.317636444174222e-10,0) (0.01667626159281534,0) (0.01794994485526614,0) (-0.01216289405031482,0) (-5.779997903838697e-15,0) (4.612859287038148e-10,0) (-7.074824217953779e-10,0) (-7.003854244460674e-10,0) (3.676708209011034e-15,0) (5.468480486523905e-12,0) (-1.013752823413635e-10,0) (-0.5035251468342919,0) (0.22568331611701,0) (0.04813577570886425,0) (5.595096237513316e-10,0) (1.310471466787339e-10,0) (5.380154124569653e-10,0) (-0.1866307178182947,0) (-0.3344232559225588,0) (0.7387788852430242,0) (1.251775340188762e-12,0) (7.342652829560892e-14,0) (-2.337243213903757e-15,0)
|
|
(4.00262010410619e-10,0) (-0.03927264009601725,0) (-0.02651300266785287,0) (0.007914955212289529,0) (-2.351981639040555e-11,0) (-5.42731145550179e-10,0) (-8.332984151378063e-10,0) (7.682617286919707e-11,0) (0.1009689058251226,0) (0.2284077672599268,0) (-0.1642224638378088,0) (-2.282720124036075e-09,0) (5.580039564977017e-15,0) (1.129391773310503e-16,0) (-1.121450837761307e-11,0) (-1.3244712631349e-11,0) (-5.528405661213469e-11,0) (-0.3418495726280513,0) (-0.7148368969518457,0) (0.5296275187776198,0) (-4.667253555159701e-11,0) (7.774131922584953e-10,0) (3.401215721095401e-10,0) (7.157602084288895e-16,0) (7.515570950021659e-15,0) (3.094377304531841e-11,0)
|
|
(-4.280250670629272e-13,0) (-0.01538064365355655,0) (0.03234204102471859,0) (0.03202117138297092,0) (-7.432183164618925e-10,0) (6.39671481337125e-10,0) (-3.955434662507091e-10,0) (1.39076697345848e-15,0) (-0.2663346249014976,0) (0.02143225202090981,0) (-0.1339416198861443,0) (-7.905481824721505e-14,0) (2.679353779488669e-13,0) (-2.042562471057384e-14,0) (4.062142491754056e-11,0) (1.556541998258115e-10,0) (-4.551683480160522e-11,0) (-0.6627790937129255,0) (0.5831189220303103,0) (0.359241474620997,0) (-1.112500394640495e-09,0) (-1.521367005650805e-11,0) (-1.180355146701969e-10,0) (-1.66378305654295e-12,0) (-2.173000498128744e-11,0) (2.433972572628287e-15,0)
|
|
(-2.625760669918071e-13,0) (-0.02300047842452758,0) (0.02364275694796712,0) (-0.03492742861562493,0) (-7.51690733358873e-10,0) (-6.132718922836869e-10,0) (4.207000833221529e-10,0) (3.873256167502188e-16,0) (0.09058134828103771,0) (-0.1915838985505435,0) (-0.2107711093713243,0) (-1.410538352786261e-13,0) (2.2596748580085e-14,0) (2.599536296517015e-13,0) (1.58919811782101e-10,0) (-4.757444670491536e-11,0) (-2.085647864898021e-11,0) (0.5934820825564379,0) (0.2394551471366586,0) (0.706256675419654,0) (1.01898345793104e-10,0) (4.517319315017313e-10,0) (-1.018557104670111e-09,0) (2.173751027350899e-11,0) (-1.663010557643357e-12,0) (-7.752903167669072e-16,0)
|
|
(0.1919972902010819,0) (3.630422629186114e-10,0) (2.51029985842289e-10,0) (-7.315465038043911e-11,0) (1.165339652830466e-12,0) (2.689662588909378e-11,0) (4.197515530534433e-11,0) (4.916335098732414e-09,0) (-2.709335649949516e-10,0) (-6.132994059302069e-10,0) (4.414035817663075e-10,0) (-0.9813954557442386,0) (-2.395383680208105e-13,0) (1.455326460659855e-16,0) (-9.676608753640035e-14,0) (-2.735901709813934e-15,0) (-2.618701527870458e-13,0) (7.735915000423243e-10,0) (1.617637620069914e-09,0) (-1.198734144843431e-09,0) (5.019703861697846e-12,0) (-8.407998234446332e-11,0) (-3.682434790361989e-11,0) (1.6648680388114e-15,0) (-3.837902049835554e-13,0) (2.078615174200313e-09,0)
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