qmcpack/tests/solids/bccMo_2x1x1_SOREP/qmc-ref/Mo-vmc-long.s000.scalar.dat

1002 lines
245 KiB
Plaintext

# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic LocalECP NonLocalECP SOECP IonIon ElecElec BlockWeight BlockCPU AcceptRatio
0 -1.3651715727e+02 1.8642367518e+04 -1.8518884804e+02 4.8671690779e+01 -9.2250228011e+01 2.5280581300e+01 -2.7505750492e-02 -1.1982754015e+02 1.6358445667e+00 1.6000000000e+03 4.4699177742e+00 6.4118303571e-01
1 -1.3656743692e+02 1.8655281933e+04 -1.8408851027e+02 4.7521073355e+01 -9.1900405290e+01 2.6093039317e+01 -2.7000927443e-02 -1.1982754015e+02 1.5733967765e+00 1.6000000000e+03 4.4650573581e+00 6.4803571429e-01
2 -1.3651301917e+02 1.8641357200e+04 -1.8541952193e+02 4.8906502757e+01 -9.3189832122e+01 2.5649496355e+01 -2.7948350462e-02 -1.1982754015e+02 1.9763023410e+00 1.6000000000e+03 4.4711587876e+00 6.4236607143e-01
3 -1.3654187442e+02 1.8649378210e+04 -1.8351465660e+02 4.6972782182e+01 -9.0603454402e+01 2.5674884071e+01 -3.1823277979e-02 -1.1982754015e+02 1.2732771606e+00 1.6000000000e+03 4.4443596005e+00 6.4553571429e-01
4 -1.3648760692e+02 1.8633181594e+04 -1.8513757601e+02 4.8649969085e+01 -9.2577067774e+01 2.5678976413e+01 -2.1643493190e-02 -1.1982754015e+02 1.6096989984e+00 1.6000000000e+03 4.4601710290e+00 6.4665178571e-01
5 -1.3638467853e+02 1.8606568539e+04 -1.8430950569e+02 4.7924827161e+01 -9.1438005698e+01 2.5271173553e+01 -1.7946636733e-02 -1.1982754015e+02 1.7028132408e+00 1.6000000000e+03 4.4678607285e+00 6.4718750000e-01
6 -1.3657240561e+02 1.8656639443e+04 -1.8447387325e+02 4.7901467637e+01 -9.1015029922e+01 2.4862582507e+01 -2.1667510312e-02 -1.1982754015e+02 1.5277818289e+00 1.6000000000e+03 4.4554549158e+00 6.4379464286e-01
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8 -1.3646830958e+02 1.8627826999e+04 -1.8465608838e+02 4.8187778796e+01 -9.1802695250e+01 2.5240238386e+01 -2.2354066185e-02 -1.1982754015e+02 1.7562627020e+00 1.6000000000e+03 4.4901192486e+00 6.4468750000e-01
9 -1.3651052331e+02 1.8639754706e+04 -1.8454281929e+02 4.8032295973e+01 -9.1700609239e+01 2.5538430760e+01 -2.5889079502e-02 -1.1982754015e+02 1.4727884221e+00 1.6000000000e+03 4.4533914626e+00 6.4383928571e-01
10 -1.3642302610e+02 1.8617027609e+04 -1.8435335185e+02 4.7930325751e+01 -9.2046588391e+01 2.5827112800e+01 -3.6565060681e-02 -1.1982754015e+02 1.7302289495e+00 1.6000000000e+03 4.4623969942e+00 6.4633928571e-01
11 -1.3653726587e+02 1.8646721953e+04 -1.8460645564e+02 4.8069189766e+01 -9.0314361829e+01 2.4204430446e+01 -1.9389729064e-02 -1.1982754015e+02 1.3504056228e+00 1.6000000000e+03 4.4676035345e+00 6.4549107143e-01
12 -1.3634028372e+02 1.8639654220e+04 -1.8396216981e+02 4.7621886087e+01 -9.0854158507e+01 2.5367680299e+01 -3.4669158044e-02 -1.1982754015e+02 1.3865177076e+00 1.6000000000e+03 4.4611036628e+00 6.4399553571e-01
13 -1.3653612938e+02 1.8647486561e+04 -1.8431564559e+02 4.7779516210e+01 -9.1240818245e+01 2.5467936941e+01 -2.1346256508e-02 -1.1982754015e+02 1.3061221220e+00 1.6000000000e+03 4.4593919218e+00 6.4457589286e-01
14 -1.3655188504e+02 1.8654050378e+04 -1.8494553202e+02 4.8393646983e+01 -9.1449523086e+01 2.4759077062e+01 -1.7699630652e-02 -1.1982754015e+02 1.5901537850e+00 1.6000000000e+03 4.4889880419e+00 6.4604910714e-01
15 -1.3659662732e+02 1.8662787758e+04 -1.8454011693e+02 4.7943489610e+01 -9.0323104604e+01 2.4489323393e+01 -2.6835293491e-02 -1.1982754015e+02 1.1480397266e+00 1.6000000000e+03 4.4458093345e+00 6.4743303571e-01
16 -1.3654277370e+02 1.8648126375e+04 -1.8419798255e+02 4.7655208846e+01 -8.9917182345e+01 2.4204768981e+01 -2.0759558301e-02 -1.1982754015e+02 1.3627305249e+00 1.6000000000e+03 4.4622934908e+00 6.4582589286e-01
17 -1.3653727440e+02 1.8647111866e+04 -1.8467752952e+02 4.8140255119e+01 -9.1787574763e+01 2.5392193789e+01 -1.6913937597e-02 -1.1982754015e+02 1.5623055423e+00 1.6000000000e+03 4.4811712652e+00 6.4133928571e-01
18 -1.3659520021e+02 1.8663614694e+04 -1.8471300998e+02 4.8117809777e+01 -9.0550733229e+01 2.4501960547e+01 -2.5504488385e-02 -1.1982754015e+02 1.1888073382e+00 1.6000000000e+03 4.4653007090e+00 6.4850446429e-01
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23 -1.3662576496e+02 1.8670673454e+04 -1.8506095235e+02 4.8435187394e+01 -9.1757119330e+01 2.4935317453e+01 -2.1038433385e-02 -1.1982754015e+02 1.6094281067e+00 1.6000000000e+03 4.4930959195e+00 6.4935267857e-01
24 -1.3654391417e+02 1.8648782434e+04 -1.8426855490e+02 4.7724640738e+01 -9.0728787692e+01 2.4824258649e+01 -1.8705382758e-02 -1.1982754015e+02 1.4822196728e+00 1.6000000000e+03 4.4709247351e+00 6.4515625000e-01
25 -1.3638661994e+02 1.8606901619e+04 -1.8468409055e+02 4.8297470610e+01 -9.2579612489e+01 2.5925679781e+01 -2.0587066162e-02 -1.1982754015e+02 1.8179693739e+00 1.6000000000e+03 4.4840958118e+00 6.4776785714e-01
26 -1.3647264949e+02 1.8629519200e+04 -1.8430460692e+02 4.7831957435e+01 -9.1549510532e+01 2.5670556709e+01 -3.7317542825e-02 -1.1982754015e+02 1.4392045944e+00 1.6000000000e+03 4.4598508775e+00 6.4691964286e-01
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