qmcpack/tests/molecules/LiH_ae_MSD/qmc-ref/vmc_short.s000.scalar.dat

202 lines
41 KiB
Plaintext

# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic ElecElec IonIon IonElec BlockWeight BlockCPU AcceptRatio
0 -8.0250707122e+00 6.4654279928e+01 -1.5659993590e+01 7.6349228777e+00 3.2333067788e+00 9.9538011926e-01 -1.9888680488e+01 4.8000000000e+03 5.4121384025e-01 6.2954861111e-01
1 -8.0309527845e+00 6.4748064042e+01 -1.6147636512e+01 8.1166837278e+00 3.2323553543e+00 9.9538011926e-01 -2.0375371986e+01 4.8000000000e+03 4.3891671300e-01 6.3017361111e-01
2 -8.0240025670e+00 6.4638829486e+01 -1.6427383120e+01 8.4033805528e+00 3.2877496702e+00 9.9538011926e-01 -2.0710512909e+01 4.8000000000e+03 4.6575342119e-01 6.2467013889e-01
3 -8.0313263393e+00 6.4730308919e+01 -1.5538639375e+01 7.5073130361e+00 3.2269448217e+00 9.9538011926e-01 -1.9760964316e+01 4.8000000000e+03 4.7898326814e-01 6.3223958333e-01
4 -8.0047356888e+00 6.4349182358e+01 -1.6399239144e+01 8.3945034556e+00 3.2562355210e+00 9.9538011926e-01 -2.0650854785e+01 4.8000000000e+03 4.8765777051e-01 6.2454861111e-01
5 -8.0510669489e+00 6.5029897493e+01 -1.5522121720e+01 7.4710547706e+00 3.2528862510e+00 9.9538011926e-01 -1.9770388090e+01 4.8000000000e+03 4.9648110569e-01 6.2529513889e-01
6 -8.0196502925e+00 6.4550899002e+01 -1.5672892233e+01 7.6532419408e+00 3.2395446940e+00 9.9538011926e-01 -1.9907817047e+01 4.8000000000e+03 4.8861454427e-01 6.2562500000e-01
7 -8.0242591425e+00 6.4689430228e+01 -1.6255212161e+01 8.2309530185e+00 3.2340156896e+00 9.9538011926e-01 -2.0484607970e+01 4.8000000000e+03 4.9302195013e-01 6.2637152778e-01
8 -8.0238470444e+00 6.4637624641e+01 -1.5827318606e+01 7.8034715618e+00 3.2442097309e+00 9.9538011926e-01 -2.0066908456e+01 4.8000000000e+03 4.7698308527e-01 6.2885416667e-01
9 -8.0432775567e+00 6.4942185980e+01 -1.5879713780e+01 7.8364362233e+00 3.2823921674e+00 9.9538011926e-01 -2.0157486067e+01 4.8000000000e+03 4.7187796235e-01 6.2555555556e-01
10 -8.0124577015e+00 6.4478366733e+01 -1.6729739251e+01 8.7172815499e+00 3.2676773314e+00 9.9538011926e-01 -2.0992796702e+01 4.8000000000e+03 4.9163495004e-01 6.2640625000e-01
11 -8.0498517756e+00 6.5062494559e+01 -1.6118166505e+01 8.0683147293e+00 3.2719958641e+00 9.9538011926e-01 -2.0385542488e+01 4.8000000000e+03 4.8168683052e-01 6.2675347222e-01
12 -8.0379883878e+00 6.4855802352e+01 -1.5921498451e+01 7.8835100636e+00 3.2390042279e+00 9.9538011926e-01 -2.0155882799e+01 4.8000000000e+03 4.7485877573e-01 6.2717013889e-01
13 -8.0197582093e+00 6.4576108727e+01 -1.6714374150e+01 8.6946159403e+00 3.2680576557e+00 9.9538011926e-01 -2.0977811925e+01 4.8000000000e+03 4.8003274202e-01 6.2592013889e-01
14 -8.0305869171e+00 6.4747572619e+01 -1.6622011001e+01 8.5914240834e+00 3.2335900971e+00 9.9538011926e-01 -2.0850981217e+01 4.8000000000e+03 4.8684640229e-01 6.2842013889e-01
15 -8.0209046600e+00 6.4577661842e+01 -1.6018568476e+01 7.9976638164e+00 3.2743776554e+00 9.9538011926e-01 -2.0288326251e+01 4.8000000000e+03 4.7385193408e-01 6.3100694444e-01
16 -8.0497685069e+00 6.5049568563e+01 -1.7010748542e+01 8.9609800352e+00 3.3267816917e+00 9.9538011926e-01 -2.1332910353e+01 4.8000000000e+03 4.6726287901e-01 6.2288194444e-01
17 -8.0288950054e+00 6.4698363767e+01 -1.6050791896e+01 8.0218968908e+00 3.2795018755e+00 9.9538011926e-01 -2.0325673891e+01 4.8000000000e+03 4.6765241027e-01 6.2364583333e-01
18 -8.0291460242e+00 6.4743361196e+01 -1.6853327722e+01 8.8241816982e+00 3.2423432721e+00 9.9538011926e-01 -2.1091051114e+01 4.8000000000e+03 4.3858663738e-01 6.2855902778e-01
19 -8.0332574376e+00 6.4757738356e+01 -1.5772919761e+01 7.7396623237e+00 3.2528073902e+00 9.9538011926e-01 -2.0021107271e+01 4.8000000000e+03 4.7638440132e-01 6.2470486111e-01
20 -8.0276355754e+00 6.4678371270e+01 -1.6247565558e+01 8.2199299827e+00 3.2732175557e+00 9.9538011926e-01 -2.0516163233e+01 4.8000000000e+03 4.6911212802e-01 6.2517361111e-01
21 -8.0447126694e+00 6.4964302060e+01 -1.6226797593e+01 8.1820849234e+00 3.2978209809e+00 9.9538011926e-01 -2.0519998693e+01 4.8000000000e+03 4.6935383976e-01 6.2932291667e-01
22 -8.0280455387e+00 6.4692818728e+01 -1.5649823852e+01 7.6217783133e+00 3.2405882931e+00 9.9538011926e-01 -1.9885792264e+01 4.8000000000e+03 4.6633459628e-01 6.3041666667e-01
23 -8.0154711486e+00 6.4500546596e+01 -1.5959250098e+01 7.9437789493e+00 3.2421481623e+00 9.9538011926e-01 -2.0196778379e+01 4.8000000000e+03 4.5611545444e-01 6.2913194444e-01
24 -8.0459976963e+00 6.5037964230e+01 -1.6107413624e+01 8.0614159278e+00 3.3074470133e+00 9.9538011926e-01 -2.0410240757e+01 4.8000000000e+03 4.6035706997e-01 6.2538194444e-01
25 -8.0444848083e+00 6.4984931994e+01 -1.6723521431e+01 8.6790366223e+00 3.2142351948e+00 9.9538011926e-01 -2.0933136745e+01 4.8000000000e+03 4.5328600705e-01 6.3039930556e-01
26 -8.0444328179e+00 6.4980522051e+01 -1.6836854392e+01 8.7924215737e+00 3.2915472196e+00 9.9538011926e-01 -2.1123781730e+01 4.8000000000e+03 4.3574967980e-01 6.2697916667e-01
27 -8.0363624257e+00 6.4810934801e+01 -1.6331794603e+01 8.2954321774e+00 3.2313471637e+00 9.9538011926e-01 -2.0558521886e+01 4.8000000000e+03 4.5124836266e-01 6.2402777778e-01
28 -8.0348882100e+00 6.4849544107e+01 -1.6530777654e+01 8.4958894438e+00 3.3309386168e+00 9.9538011926e-01 -2.0857096390e+01 4.8000000000e+03 4.5098909736e-01 6.2671875000e-01
29 -8.0317706059e+00 6.4763859345e+01 -1.5965804535e+01 7.9340339294e+00 3.2655528667e+00 9.9538011926e-01 -2.0226737521e+01 4.8000000000e+03 4.5694118738e-01 6.2364583333e-01
30 -8.0262665484e+00 6.4685672810e+01 -1.6931916005e+01 8.9056494569e+00 3.2677371669e+00 9.9538011926e-01 -2.1195033291e+01 4.8000000000e+03 4.6738496423e-01 6.2286458333e-01
31 -8.0305197606e+00 6.4724112535e+01 -1.5952659238e+01 7.9221394775e+00 3.2301518633e+00 9.9538011926e-01 -2.0178191221e+01 4.8000000000e+03 4.4716116786e-01 6.2875000000e-01
32 -8.0549081108e+00 6.5116981647e+01 -1.5801179127e+01 7.7462710165e+00 3.3294118025e+00 9.9538011926e-01 -2.0125971049e+01 4.8000000000e+03 4.5085637271e-01 6.2842013889e-01
33 -8.0579667295e+00 6.5167085926e+01 -1.6309617059e+01 8.2516503294e+00 3.2949180001e+00 9.9538011926e-01 -2.0599915178e+01 4.8000000000e+03 4.5675374568e-01 6.2515625000e-01
34 -8.0288237646e+00 6.4717931401e+01 -1.5725807454e+01 7.6969836898e+00 3.2407399713e+00 9.9538011926e-01 -1.9961927545e+01 4.8000000000e+03 4.4869692624e-01 6.2779513889e-01
35 -8.0290110440e+00 6.4771522901e+01 -1.6522910224e+01 8.4938991799e+00 3.2979416927e+00 9.9538011926e-01 -2.0816232036e+01 4.8000000000e+03 4.6239511669e-01 6.2753472222e-01
36 -8.0216694050e+00 6.4594977211e+01 -1.6299273980e+01 8.2776045753e+00 3.2797848238e+00 9.9538011926e-01 -2.0574438923e+01 4.8000000000e+03 4.5808616281e-01 6.1928819444e-01
37 -8.0299725069e+00 6.4722905724e+01 -1.5884751889e+01 7.8547793824e+00 3.2220563982e+00 9.9538011926e-01 -2.0102188407e+01 4.8000000000e+03 4.5625559986e-01 6.2779513889e-01
38 -8.0271062445e+00 6.4712057374e+01 -1.6671004435e+01 8.6438981907e+00 3.2779984113e+00 9.9538011926e-01 -2.0944382966e+01 4.8000000000e+03 4.5512937009e-01 6.2295138889e-01
39 -8.0367182494e+00 6.4858478736e+01 -1.5530969676e+01 7.4942514270e+00 3.2704177266e+00 9.9538011926e-01 -1.9796767522e+01 4.8000000000e+03 4.5572733879e-01 6.2730902778e-01
40 -8.0450046428e+00 6.4967809874e+01 -1.5817736779e+01 7.7727321363e+00 3.2807940647e+00 9.9538011926e-01 -2.0093910963e+01 4.8000000000e+03 4.5616458356e-01 6.3048611111e-01
41 -8.0348379412e+00 6.4783201164e+01 -1.5859720194e+01 7.8248822532e+00 3.2231657403e+00 9.9538011926e-01 -2.0078266054e+01 4.8000000000e+03 4.5918653905e-01 6.2779513889e-01
42 -8.0357870879e+00 6.4811956997e+01 -1.5830250421e+01 7.7944633328e+00 3.2492989418e+00 9.9538011926e-01 -2.0074929482e+01 4.8000000000e+03 4.5519238710e-01 6.3105902778e-01
43 -8.0124754721e+00 6.4474546633e+01 -1.6174331003e+01 8.1618555312e+00 3.2195955708e+00 9.9538011926e-01 -2.0389306693e+01 4.8000000000e+03 4.5244020224e-01 6.2784722222e-01
44 -8.0425162855e+00 6.4931859782e+01 -1.5493235101e+01 7.4507188157e+00 3.3551202359e+00 9.9538011926e-01 -1.9843735456e+01 4.8000000000e+03 4.5537735522e-01 6.2710069444e-01
45 -8.0177871244e+00 6.4552878282e+01 -1.5836975178e+01 7.8191880531e+00 3.2512048904e+00 9.9538011926e-01 -2.0083560187e+01 4.8000000000e+03 4.5483797789e-01 6.2868055556e-01
46 -8.0384530291e+00 6.4847267157e+01 -1.5530964090e+01 7.4925110609e+00 3.2151046235e+00 9.9538011926e-01 -1.9741448833e+01 4.8000000000e+03 4.5768517256e-01 6.2821180556e-01
47 -8.0452935288e+00 6.4986248976e+01 -1.6104248812e+01 8.0589552830e+00 3.2774360996e+00 9.9538011926e-01 -2.0377065031e+01 4.8000000000e+03 4.6919575334e-01 6.2406250000e-01
48 -8.0467206975e+00 6.4958590088e+01 -1.5372294387e+01 7.3255736897e+00 3.2632499338e+00 9.9538011926e-01 -1.9630924440e+01 4.8000000000e+03 4.8358736932e-01 6.3223958333e-01
49 -8.0206157710e+00 6.4603811517e+01 -1.7080534121e+01 9.0599183504e+00 3.2371437018e+00 9.9538011926e-01 -2.1313057943e+01 4.8000000000e+03 4.8216371238e-01 6.2446180556e-01
50 -8.0297710081e+00 6.4734045188e+01 -1.6102980594e+01 8.0732095862e+00 3.2223239631e+00 9.9538011926e-01 -2.0320684677e+01 4.8000000000e+03 4.8215496540e-01 6.2644097222e-01
51 -8.0293270794e+00 6.4704132608e+01 -1.5811399842e+01 7.7820727627e+00 3.2442896238e+00 9.9538011926e-01 -2.0051069585e+01 4.8000000000e+03 4.8263947666e-01 6.2734375000e-01
52 -8.0158382892e+00 6.4503902708e+01 -1.6200931695e+01 8.1850934059e+00 3.2790241679e+00 9.9538011926e-01 -2.0475335982e+01 4.8000000000e+03 4.8291696608e-01 6.2536458333e-01
53 -8.0408842731e+00 6.4938826474e+01 -1.6704510734e+01 8.6636264609e+00 3.2685798609e+00 9.9538011926e-01 -2.0968470714e+01 4.8000000000e+03 4.8512047529e-01 6.2475694444e-01
54 -8.0496948381e+00 6.5026604207e+01 -1.5673670120e+01 7.6239752823e+00 3.2616997729e+00 9.9538011926e-01 -1.9930750013e+01 4.8000000000e+03 4.7823506594e-01 6.2590277778e-01
55 -8.0173849058e+00 6.4538704847e+01 -1.6744051211e+01 8.7266663054e+00 3.3093986422e+00 9.9538011926e-01 -2.1048829973e+01 4.8000000000e+03 4.6827137470e-01 6.2543402778e-01
56 -8.0301414302e+00 6.4778599880e+01 -1.6200567438e+01 8.1704260076e+00 3.2584134162e+00 9.9538011926e-01 -2.0454360973e+01 4.8000000000e+03 4.7141607106e-01 6.2987847222e-01
57 -8.0571416638e+00 6.5171389585e+01 -1.6001044328e+01 7.9439026646e+00 3.3177715403e+00 9.9538011926e-01 -2.0314195988e+01 4.8000000000e+03 4.6713259816e-01 6.2536458333e-01
58 -8.0398466856e+00 6.4871204112e+01 -1.5487433171e+01 7.4475864854e+00 3.2838256972e+00 9.9538011926e-01 -1.9766638987e+01 4.8000000000e+03 4.7988779843e-01 6.3012152778e-01
59 -8.0248829288e+00 6.4722153359e+01 -1.7010700753e+01 8.9858178245e+00 3.2612503626e+00 9.9538011926e-01 -2.1267331235e+01 4.8000000000e+03 4.7035327554e-01 6.2557291667e-01
60 -8.0289661448e+00 6.4781230869e+01 -1.6477883824e+01 8.4489176787e+00 3.2573533637e+00 9.9538011926e-01 -2.0730617306e+01 4.8000000000e+03 4.5042417943e-01 6.2937500000e-01
61 -8.0270377008e+00 6.4734833763e+01 -1.6483455335e+01 8.4564176346e+00 3.2449890981e+00 9.9538011926e-01 -2.0723824553e+01 4.8000000000e+03 4.7948807478e-01 6.2953125000e-01
62 -8.0351308290e+00 6.4838854643e+01 -1.6257720881e+01 8.2225900520e+00 3.2809976334e+00 9.9538011926e-01 -2.0534098634e+01 4.8000000000e+03 4.7340494394e-01 6.2805555556e-01
63 -8.0193431982e+00 6.4566496646e+01 -1.6524633821e+01 8.5052906223e+00 3.2626089635e+00 9.9538011926e-01 -2.0782622903e+01 4.8000000000e+03 4.6314682066e-01 6.2352430556e-01
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65 -8.0275320684e+00 6.4772083884e+01 -1.7145577408e+01 9.1180453391e+00 3.2657756141e+00 9.9538011926e-01 -2.1406733141e+01 4.8000000000e+03 4.6401716769e-01 6.2751736111e-01
66 -8.0340137943e+00 6.4786674807e+01 -1.6467373563e+01 8.4333597692e+00 3.3033013571e+00 9.9538011926e-01 -2.0766055040e+01 4.8000000000e+03 4.5158386230e-01 6.2479166667e-01
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71 -8.0311114566e+00 6.4743468262e+01 -1.6617372803e+01 8.5862613465e+00 3.2480796240e+00 9.9538011926e-01 -2.0860832546e+01 4.8000000000e+03 4.7212991118e-01 6.2572916667e-01
72 -8.0440090090e+00 6.4957306109e+01 -1.5957969014e+01 7.9139600047e+00 3.2745480896e+00 9.9538011926e-01 -2.0227897223e+01 4.8000000000e+03 4.6687106788e-01 6.3074652778e-01
73 -8.0533147081e+00 6.5065017103e+01 -1.5448603363e+01 7.3952886545e+00 3.2326231803e+00 9.9538011926e-01 -1.9676606662e+01 4.8000000000e+03 4.6783804893e-01 6.2993055556e-01
74 -8.0197208019e+00 6.4578478603e+01 -1.6970625740e+01 8.9509049380e+00 3.3126813581e+00 9.9538011926e-01 -2.1278687217e+01 4.8000000000e+03 4.6800813079e-01 6.2102430556e-01
75 -8.0335975401e+00 6.4790172534e+01 -1.6453213694e+01 8.4196161538e+00 3.2582924727e+00 9.9538011926e-01 -2.0706886286e+01 4.8000000000e+03 4.6329501271e-01 6.2210069444e-01
76 -8.0402894083e+00 6.4900090634e+01 -1.6386004696e+01 8.3457152880e+00 3.2493244050e+00 9.9538011926e-01 -2.0630709220e+01 4.8000000000e+03 4.5815205574e-01 6.2729166667e-01
77 -8.0567210885e+00 6.5190449465e+01 -1.6905046213e+01 8.8483251243e+00 3.3430731353e+00 9.9538011926e-01 -2.1243499467e+01 4.8000000000e+03 4.6369250119e-01 6.2442708333e-01
78 -8.0326903150e+00 6.4932131526e+01 -1.5949331746e+01 7.9166414314e+00 3.2695973238e+00 9.9538011926e-01 -2.0214309189e+01 4.8000000000e+03 4.6154066920e-01 6.2909722222e-01
79 -8.0338558881e+00 6.4814591654e+01 -1.6897482424e+01 8.8636265359e+00 3.2709284709e+00 9.9538011926e-01 -2.1163791014e+01 4.8000000000e+03 4.5855902135e-01 6.2864583333e-01
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