diff --git a/sample/03_finite_temperature/QMC/algorithm.xml b/sample/03_finite_temperature/QMC/algorithm.xml new file mode 100644 index 00000000..12554630 --- /dev/null +++ b/sample/03_finite_temperature/QMC/algorithm.xml @@ -0,0 +1,329 @@ + + + S=1/2 XXZ model + + 1 + 1 + 2 + 2 + 0.250000000000000 + + + + 0 + 2 + -0.500000000000000 0.500000000000000 + 0 + + + 0 + 2 + 0 1 0.500000000000000 + 1 1 0.500000000000000 + + + + 1 + 2 + 0 0 0.500000000000000 + 1 0 0.500000000000000 + + + + + 0 + 1 + 2 + 0.500000000000000 + 0 1 0.500000000000000 + 1 0 0.500000000000000 + 1 1 1.000000000000000 + 0 1 0 1 1.0 + 0 1 1 0 1.0 + 1 0 0 1 1.0 + 1 0 1 0 1.0 + + + + 0 + 1 + 1 + 4 + + + 0 1 + 0 + 1 + 1 + -1 -1 1.000000000000000 + + + + 0 1 + 1 + 0 + 1 + -1 -1 1.000000000000000 + + + + 1 0 + 0 + 0 + 1 + -1 -1 1.000000000000000 + + + + 1 0 + 1 + 1 + 1 + -1 -1 1.000000000000000 + + + + + 1 + 2 + 2 + 28 + + + 0 1 0 1 + 0 + 1 + 1 + 2 1 1.0 + + + + 0 1 0 1 + 1 + 0 + 1 + 2 1 1.0 + + + + 0 1 0 1 + 2 + 1 + 1 + 0 1 1.0 + + + + 0 1 0 1 + 3 + 0 + 1 + 0 1 1.0 + + + + 0 1 1 0 + 0 + 1 + 1 + 3 1 1.0 + + + + 0 1 1 0 + 1 + 0 + 1 + 3 1 1.0 + + + + 0 1 1 0 + 2 + 0 + 1 + 0 1 1.0 + + + + 0 1 1 0 + 3 + 1 + 1 + 0 1 1.0 + + + + 1 0 0 1 + 0 + 0 + 1 + 2 1 1.0 + + + + 1 0 0 1 + 1 + 1 + 1 + 2 1 1.0 + + + + 1 0 0 1 + 2 + 1 + 1 + 1 1 1.0 + + + + 1 0 0 1 + 3 + 0 + 1 + 1 1 1.0 + + + + 1 0 1 0 + 0 + 0 + 1 + 3 1 1.0 + + + + 1 0 1 0 + 1 + 1 + 1 + 3 1 1.0 + + + + 1 0 1 0 + 2 + 0 + 1 + 1 1 1.0 + + + + 1 0 1 0 + 3 + 1 + 1 + 1 1 1.0 + + + + 0 0 1 1 + 0 + 1 + 1 + 1 1 1.0 + + + + 0 0 1 1 + 1 + 1 + 1 + 0 1 1.0 + + + + 0 0 1 1 + 2 + 0 + 2 + 0 1 0.5 + 1 1 0.5 + + + + 0 0 1 1 + 3 + 0 + 2 + 0 1 0.5 + 1 1 0.5 + + + + 1 1 0 0 + 0 + 0 + 2 + 2 1 0.5 + 3 1 0.5 + + + + 1 1 0 0 + 1 + 0 + 2 + 2 1 0.5 + 3 1 0.5 + + + + 1 1 0 0 + 2 + 1 + 1 + 3 1 1.0 + + + + 1 1 0 0 + 3 + 1 + 1 + 2 1 1.0 + + + + 1 1 1 1 + 0 + 0 + 3 + 1 0 0.5 + 2 0 0.25 + 3 0 0.25 + + + + 1 1 1 1 + 1 + 0 + 3 + 0 0 0.5 + 2 0 0.25 + 3 0 0.25 + + + + 1 1 1 1 + 2 + 0 + 3 + 0 0 0.25 + 1 0 0.25 + 3 0 0.5 + + + + 1 1 1 1 + 3 + 0 + 3 + 0 0 0.25 + 1 0 0.25 + 2 0 0.5 + + + + diff --git a/sample/03_finite_temperature/QMC/common_param.in b/sample/03_finite_temperature/QMC/common_param.in index 46ebdf34..7ad4efb4 100644 --- a/sample/03_finite_temperature/QMC/common_param.in +++ b/sample/03_finite_temperature/QMC/common_param.in @@ -3,11 +3,11 @@ cfoutfile = cf.dat ckoutfile = ck.dat dispfile = latfile = lattice.xml -ndecor = 100 -nmcs = 1000 -npre = 100 +ndecor = 1000 +nmcs = 5000 +npre = 1000 nsegmax = 1000000 -nset = 1 +nset = 4 ntau = 10 ntherm = 1000 nvermax = 1000000 diff --git a/sample/03_finite_temperature/QMC/dsqss.sh b/sample/03_finite_temperature/QMC/dsqss.sh new file mode 100644 index 00000000..33e5d491 --- /dev/null +++ b/sample/03_finite_temperature/QMC/dsqss.sh @@ -0,0 +1,14 @@ +#!/bin/sh + +#SBATCH -p F1cpu +#SBATCH -N 1 +#SBATCH -n 4 +#SBATCH -c 32 +#SBATCH -t 03:00:00 + +set -e + +source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/dsqss/dsqssvars.sh +module list + +sh exec.sh diff --git a/sample/03_finite_temperature/QMC/dsqss_middle.sh b/sample/03_finite_temperature/QMC/dsqss_middle.sh new file mode 100644 index 00000000..bed4d2aa --- /dev/null +++ b/sample/03_finite_temperature/QMC/dsqss_middle.sh @@ -0,0 +1,14 @@ +#!/bin/sh + +#SBATCH -p i8cpu +#SBATCH -N 1 +#SBATCH -n 4 +#SBATCH -c 32 +#SBATCH -t 00:30:00 + +set -e + +source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/dsqss/dsqssvars.sh +module list + +sh exec_middle.sh diff --git a/sample/03_finite_temperature/QMC/dsqss_strong.sh b/sample/03_finite_temperature/QMC/dsqss_strong.sh new file mode 100644 index 00000000..c9f13ad0 --- /dev/null +++ b/sample/03_finite_temperature/QMC/dsqss_strong.sh @@ -0,0 +1,14 @@ +#!/bin/sh + +#SBATCH -p i8cpu +#SBATCH -N 1 +#SBATCH -n 4 +#SBATCH -c 32 +#SBATCH -t 00:30:00 + +set -e + +source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/dsqss/dsqssvars.sh +module list + +sh exec_strong.sh diff --git a/sample/03_finite_temperature/QMC/dsqss_weak.sh b/sample/03_finite_temperature/QMC/dsqss_weak.sh new file mode 100644 index 00000000..7535b6f7 --- /dev/null +++ b/sample/03_finite_temperature/QMC/dsqss_weak.sh @@ -0,0 +1,14 @@ +#!/bin/sh + +#SBATCH -p i8cpu +#SBATCH -N 1 +#SBATCH -n 4 +#SBATCH -c 32 +#SBATCH -t 00:30:00 + +set -e + +source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/dsqss/dsqssvars.sh +module list + +sh exec_weak.sh diff --git a/sample/03_finite_temperature/QMC/ene-L32-G0.0.dat b/sample/03_finite_temperature/QMC/ene-L32-G0.0.dat deleted file mode 100644 index 96256306..00000000 --- a/sample/03_finite_temperature/QMC/ene-L32-G0.0.dat +++ /dev/null @@ -1,27 +0,0 @@ -0.2 -2.52270508e-02 1.47370098e-04 -0.4 -5.10888672e-02 5.18088419e-04 -0.6 -7.75797526e-02 3.51849976e-04 -0.8 -1.07047729e-01 6.15823756e-04 -1.0 -1.40321289e-01 5.12024611e-04 -1.1 -1.57207475e-01 4.55395092e-04 -1.2 -1.76234945e-01 4.07950240e-04 -1.3 -1.98461163e-01 5.42064370e-04 -1.4 -2.20259835e-01 9.16675646e-04 -1.5 -2.47124349e-01 6.39451631e-04 -1.6 -2.75545654e-01 9.04367064e-04 -1.7 -3.20981158e-01 7.64899734e-04 -1.8 -3.77851291e-01 5.60640513e-04 -1.9 -4.13727128e-01 8.19899255e-04 -2.0 -4.36008301e-01 3.65520725e-04 -2.1 -4.51277902e-01 1.00126275e-03 -2.2 -4.62834029e-01 5.97426736e-04 -2.3 -4.69894489e-01 3.48862599e-04 -2.4 -4.76478068e-01 2.13232549e-04 -2.5 -4.82117969e-01 4.08525155e-04 -2.6 -4.85785945e-01 2.25599869e-04 -2.7 -4.87961878e-01 9.83798513e-05 -2.8 -4.90346157e-01 3.82690963e-04 -2.9 -4.92423895e-01 4.63146740e-04 -3.0 -4.93629720e-01 5.43631771e-04 -3.5 -4.98034180e-01 4.67732827e-04 -4.0 -4.99506714e-01 4.90113278e-04 diff --git a/sample/03_finite_temperature/QMC/ene-L32-G0.5.dat b/sample/03_finite_temperature/QMC/ene-L32-G0.5.dat index 4ccfcfd9..57d3beb3 100644 --- a/sample/03_finite_temperature/QMC/ene-L32-G0.5.dat +++ b/sample/03_finite_temperature/QMC/ene-L32-G0.5.dat @@ -1,27 +1,27 @@ -0.2 -3.71418387e-02 3.40387761e-04 -0.4 -7.50246837e-02 4.94437084e-04 -0.6 -1.12911122e-01 6.48484213e-04 -0.8 -1.51416542e-01 1.20987399e-03 -1.0 -1.89578175e-01 1.17971994e-03 -1.1 -2.09153845e-01 6.30581838e-04 -1.2 -2.30487873e-01 5.10260178e-04 -1.3 -2.49888918e-01 9.85419984e-04 -1.4 -2.71718283e-01 8.92525446e-04 -1.5 -2.94157963e-01 1.26397371e-03 -1.6 -3.19052672e-01 1.73947497e-03 -1.7 -3.45727668e-01 1.30574258e-03 -1.8 -3.84411762e-01 1.78230814e-03 -1.9 -4.27917913e-01 9.84994998e-04 -2.0 -4.58772717e-01 1.19760476e-03 -2.1 -4.76702077e-01 6.12020847e-04 -2.2 -4.88031000e-01 8.56948405e-04 -2.3 -4.98761254e-01 4.67145386e-04 -2.4 -5.05905573e-01 2.39807934e-04 -2.5 -5.11031206e-01 2.76775785e-04 -2.6 -5.15265926e-01 3.20063989e-04 -2.7 -5.18412299e-01 2.06044369e-04 -2.8 -5.20997651e-01 2.82575296e-04 -2.9 -5.22786099e-01 2.41035959e-04 -3.0 -5.24014525e-01 5.51774384e-04 -3.5 -5.28167891e-01 2.16500707e-04 -4.0 -5.30548920e-01 2.40949096e-04 +0.2 -3.75271206e-02 1.00445204e-04 +0.4 -7.50743267e-02 8.09755191e-05 +0.6 -1.12855765e-01 1.34813998e-04 +0.8 -1.51050050e-01 1.22183738e-04 +1.0 -1.89564861e-01 1.49649084e-04 +1.1 -2.09405625e-01 9.90146719e-05 +1.2 -2.29768354e-01 1.28087438e-04 +1.3 -2.50222997e-01 2.09382546e-04 +1.4 -2.71706792e-01 1.21710750e-04 +1.5 -2.94312453e-01 2.32138482e-04 +1.6 -3.18789991e-01 1.97328545e-04 +1.7 -3.46298017e-01 1.69093065e-04 +1.8 -3.83597669e-01 2.01752570e-04 +1.9 -4.29399080e-01 2.55705675e-04 +2.0 -4.57956129e-01 2.11591844e-04 +2.1 -4.76235751e-01 1.58701909e-04 +2.2 -4.89230535e-01 1.12134449e-04 +2.3 -4.98673348e-01 7.30732588e-05 +2.4 -5.05497234e-01 9.52282031e-05 +2.5 -5.11093298e-01 8.48022884e-05 +2.6 -5.15241117e-01 8.44251009e-05 +2.7 -5.18440391e-01 1.07341988e-04 +2.8 -5.20967612e-01 1.11054531e-04 +2.9 -5.22961003e-01 8.92733763e-05 +3.0 -5.24612018e-01 8.01474264e-05 +3.5 -5.28999879e-01 7.02544526e-05 +4.0 -5.30482339e-01 8.48741369e-05 diff --git a/sample/03_finite_temperature/QMC/ene-L32-G0.8.dat b/sample/03_finite_temperature/QMC/ene-L32-G0.8.dat index 63bc71f0..aeb413b1 100644 --- a/sample/03_finite_temperature/QMC/ene-L32-G0.8.dat +++ b/sample/03_finite_temperature/QMC/ene-L32-G0.8.dat @@ -1,27 +1,27 @@ -0.2 -5.69903570e-02 4.87305745e-04 -0.4 -1.13085709e-01 2.77158761e-04 -0.6 -1.66537950e-01 4.50898983e-04 -0.8 -2.17691538e-01 7.64196067e-04 -1.0 -2.65940518e-01 7.02139376e-04 -1.1 -2.88215559e-01 4.85085289e-04 -1.2 -3.09822647e-01 3.79821901e-04 -1.3 -3.30910091e-01 2.73557891e-04 -1.4 -3.51935545e-01 2.15851927e-04 -1.5 -3.71828969e-01 5.98581369e-04 -1.6 -3.92198663e-01 7.17743667e-04 -1.7 -4.10023434e-01 3.69624274e-04 -1.8 -4.31545465e-01 2.92418615e-04 -1.9 -4.51758396e-01 7.75429201e-04 -2.0 -4.78930359e-01 7.20191264e-04 -2.1 -5.06646071e-01 9.74909681e-04 -2.2 -5.26526560e-01 8.08657609e-04 -2.3 -5.38728104e-01 5.10112500e-04 -2.4 -5.48400127e-01 4.85301553e-04 -2.5 -5.54963527e-01 3.19165748e-04 -2.6 -5.60136059e-01 4.29166498e-04 -2.7 -5.65222541e-01 4.64476536e-04 -2.8 -5.67079704e-01 1.55652550e-04 -2.9 -5.70518380e-01 2.63447792e-04 -3.0 -5.72173360e-01 2.29805080e-04 -3.5 -5.77413107e-01 3.64027837e-04 -4.0 -5.79909027e-01 1.21315827e-04 +0.2 -5.68555922e-02 1.08040603e-04 +0.4 -1.12719383e-01 9.57780422e-05 +0.6 -1.66484929e-01 1.06210024e-04 +0.8 -2.17544494e-01 9.40312732e-05 +1.0 -2.65601093e-01 1.16609350e-04 +1.1 -2.88396166e-01 1.41644264e-04 +1.2 -3.10210367e-01 1.05032306e-04 +1.3 -3.31567483e-01 1.09538767e-04 +1.4 -3.52237930e-01 1.20250736e-04 +1.5 -3.72301003e-01 1.03630247e-04 +1.6 -3.91816823e-01 9.97658987e-05 +1.7 -4.11298863e-01 1.67132773e-04 +1.8 -4.30735823e-01 1.08496677e-04 +1.9 -4.52375012e-01 1.35596016e-04 +2.0 -4.78684998e-01 1.91628146e-04 +2.1 -5.07204099e-01 1.75475003e-04 +2.2 -5.26538095e-01 7.84866760e-05 +2.3 -5.39334960e-01 7.49351604e-05 +2.4 -5.48387599e-01 7.58464477e-05 +2.5 -5.55306236e-01 8.32481372e-05 +2.6 -5.60526471e-01 7.56901893e-05 +2.7 -5.64695027e-01 7.57646125e-05 +2.8 -5.67856566e-01 4.82382613e-05 +2.9 -5.70177312e-01 7.76033911e-05 +3.0 -5.72388113e-01 7.06476084e-05 +3.5 -5.77812872e-01 6.71876334e-05 +4.0 -5.79828887e-01 4.08150749e-05 diff --git a/sample/03_finite_temperature/QMC/ene-L32-G2.0.dat b/sample/03_finite_temperature/QMC/ene-L32-G2.0.dat index f8727cee..f3941f0b 100644 --- a/sample/03_finite_temperature/QMC/ene-L32-G2.0.dat +++ b/sample/03_finite_temperature/QMC/ene-L32-G2.0.dat @@ -1,27 +1,27 @@ -0.2 -2.20635388e-01 5.39297225e-04 -0.4 -4.20599086e-01 1.08694953e-03 -0.6 -5.87590329e-01 3.51713665e-04 -0.8 -7.14121591e-01 4.29978084e-04 -1.0 -8.09807172e-01 9.82720419e-05 -1.1 -8.45327336e-01 6.62079035e-04 -1.2 -8.75553795e-01 3.22274880e-04 -1.3 -9.01714422e-01 3.00189633e-04 -1.4 -9.22936232e-01 3.19974231e-04 -1.5 -9.40663538e-01 2.27223005e-04 -1.6 -9.55555568e-01 2.10932807e-04 -1.7 -9.67884551e-01 4.19127228e-04 -1.8 -9.78422724e-01 2.53575579e-04 -1.9 -9.86862842e-01 2.79194537e-04 -2.0 -9.94054936e-01 2.70330144e-04 -2.1 -9.99888382e-01 2.18226487e-04 -2.2 -1.00477962e+00 1.42337210e-04 -2.3 -1.00925131e+00 9.30793898e-05 -2.4 -1.01256906e+00 1.01793515e-04 -2.5 -1.01549240e+00 1.36072485e-04 -2.6 -1.01801352e+00 2.12973507e-04 -2.7 -1.02030726e+00 1.15924313e-04 -2.8 -1.02214236e+00 9.57846985e-05 -2.9 -1.02351723e+00 1.41656163e-04 -3.0 -1.02503773e+00 1.24608096e-04 -3.5 -1.02900102e+00 6.72671228e-05 -4.0 -1.03127016e+00 8.51132357e-05 +0.2 -2.21092619e-01 1.95124065e-04 +0.4 -4.21262013e-01 1.65779671e-04 +0.6 -5.87155675e-01 9.67355391e-05 +0.8 -7.15117203e-01 1.22808833e-04 +1.0 -8.09184697e-01 8.87124301e-05 +1.1 -8.45721707e-01 1.03645097e-04 +1.2 -8.76175723e-01 9.12385029e-05 +1.3 -9.01878877e-01 7.44221082e-05 +1.4 -9.22996294e-01 6.54226211e-05 +1.5 -9.40823795e-01 6.50507224e-05 +1.6 -9.55712491e-01 5.30287927e-05 +1.7 -9.67900503e-01 5.85373932e-05 +1.8 -9.78104229e-01 4.73950816e-05 +1.9 -9.86747758e-01 4.39117101e-05 +2.0 -9.93872755e-01 4.33219606e-05 +2.1 -9.99765568e-01 2.93839302e-05 +2.2 -1.00483482e+00 4.07541387e-05 +2.3 -1.00900630e+00 4.10068067e-05 +2.4 -1.01260412e+00 2.78650612e-05 +2.5 -1.01550848e+00 3.63263569e-05 +2.6 -1.01801660e+00 3.13858931e-05 +2.7 -1.02016709e+00 2.33927985e-05 +2.8 -1.02199401e+00 3.16446494e-05 +2.9 -1.02356342e+00 2.68128598e-05 +3.0 -1.02485473e+00 3.24649813e-05 +3.5 -1.02908783e+00 2.23138428e-05 +4.0 -1.03118215e+00 2.88565504e-05 diff --git a/sample/03_finite_temperature/QMC/ene-L8-G0.0.dat b/sample/03_finite_temperature/QMC/ene-L8-G0.0.dat deleted file mode 100644 index 5082f905..00000000 --- a/sample/03_finite_temperature/QMC/ene-L8-G0.0.dat +++ /dev/null @@ -1,27 +0,0 @@ -0.2 -2.46093750e-02 2.30126423e-03 -0.4 -5.36132812e-02 2.52638562e-03 -0.6 -7.84244792e-02 3.83544038e-04 -0.8 -1.04199219e-01 1.23088204e-03 -1.0 -1.41859375e-01 2.07216407e-03 -1.1 -1.58607955e-01 1.63144219e-03 -1.2 -1.86028646e-01 2.68756435e-03 -1.3 -1.99272837e-01 2.70806143e-03 -1.4 -2.27723214e-01 2.14438732e-03 -1.5 -2.66973958e-01 1.90493798e-03 -1.6 -3.06333008e-01 4.28434916e-03 -1.7 -3.48864890e-01 1.44574167e-03 -1.8 -3.89644097e-01 2.30724856e-03 -1.9 -4.11134868e-01 1.46623162e-03 -2.0 -4.35949219e-01 2.09167317e-03 -2.1 -4.52020089e-01 2.77407306e-03 -2.2 -4.63725142e-01 1.65432017e-03 -2.3 -4.71260190e-01 1.00973082e-03 -2.4 -4.73336589e-01 5.35555148e-04 -2.5 -4.82962500e-01 2.39545468e-03 -2.6 -4.87154447e-01 1.64760212e-03 -2.7 -4.90847801e-01 1.74110249e-03 -2.8 -4.93532366e-01 2.30742876e-03 -2.9 -4.91885776e-01 9.13959979e-04 -3.0 -4.94947917e-01 1.34698281e-03 -3.5 -4.97607143e-01 1.15595407e-03 -4.0 -4.98740234e-01 1.15157493e-03 diff --git a/sample/03_finite_temperature/QMC/ene-L8-G0.5.dat b/sample/03_finite_temperature/QMC/ene-L8-G0.5.dat deleted file mode 100644 index 82bd9ac0..00000000 --- a/sample/03_finite_temperature/QMC/ene-L8-G0.5.dat +++ /dev/null @@ -1,27 +0,0 @@ -0.2 -4.04565679e-02 2.28971437e-03 -0.4 -7.33343224e-02 1.98272961e-03 -0.6 -1.11835562e-01 1.60336867e-03 -0.8 -1.51061444e-01 1.13577659e-03 -1.0 -1.91272298e-01 3.01576898e-03 -1.1 -2.08683147e-01 2.32233913e-03 -1.2 -2.26716757e-01 1.39501450e-03 -1.3 -2.55465667e-01 4.19582021e-03 -1.4 -2.76682164e-01 3.97159174e-03 -1.5 -3.02336619e-01 1.83033358e-03 -1.6 -3.38979245e-01 2.99471226e-03 -1.7 -3.76140732e-01 5.70420401e-03 -1.8 -4.03554824e-01 2.64387875e-03 -1.9 -4.33104399e-01 5.60997429e-03 -2.0 -4.58803465e-01 1.59325933e-03 -2.1 -4.78990259e-01 2.10743748e-03 -2.2 -4.90746173e-01 2.65274891e-03 -2.3 -4.99139627e-01 2.03181946e-03 -2.4 -5.05224827e-01 2.29394347e-03 -2.5 -5.10738885e-01 1.53883028e-03 -2.6 -5.15905535e-01 2.78403914e-03 -2.7 -5.18045765e-01 4.63580578e-04 -2.8 -5.21962624e-01 1.52972049e-03 -2.9 -5.25432801e-01 1.57612827e-03 -3.0 -5.25405379e-01 1.58608807e-03 -3.5 -5.28612752e-01 8.42099202e-04 -4.0 -5.32314966e-01 1.86774718e-03 diff --git a/sample/03_finite_temperature/QMC/ene-L8-G0.8.dat b/sample/03_finite_temperature/QMC/ene-L8-G0.8.dat deleted file mode 100644 index 3029a582..00000000 --- a/sample/03_finite_temperature/QMC/ene-L8-G0.8.dat +++ /dev/null @@ -1,27 +0,0 @@ -0.2 -5.79561904e-02 5.89878314e-04 -0.4 -1.12564957e-01 2.29822521e-03 -0.6 -1.64811321e-01 2.04387557e-03 -0.8 -2.18112581e-01 1.38352272e-03 -1.0 -2.62842589e-01 1.03750748e-03 -1.1 -2.87355870e-01 1.11392661e-03 -1.2 -3.12269941e-01 2.33440422e-03 -1.3 -3.36480200e-01 1.73564714e-03 -1.4 -3.56500770e-01 1.93977283e-03 -1.5 -3.75873054e-01 1.74311136e-03 -1.6 -4.04392437e-01 1.00878630e-03 -1.7 -4.27630192e-01 3.03643691e-03 -1.8 -4.57805302e-01 2.30078454e-03 -1.9 -4.72332067e-01 2.88249385e-03 -2.0 -4.92617519e-01 2.76875265e-03 -2.1 -5.13668819e-01 2.57337611e-03 -2.2 -5.25898396e-01 9.67527614e-04 -2.3 -5.40384688e-01 2.67390717e-03 -2.4 -5.47406994e-01 2.33106457e-03 -2.5 -5.55203985e-01 2.51746112e-03 -2.6 -5.62285959e-01 1.04558016e-03 -2.7 -5.64134458e-01 4.64988709e-04 -2.8 -5.65344452e-01 1.37132637e-03 -2.9 -5.68933156e-01 1.68831598e-04 -3.0 -5.72747693e-01 1.03997282e-03 -3.5 -5.78084678e-01 8.52949245e-04 -4.0 -5.79694581e-01 2.68541913e-04 diff --git a/sample/03_finite_temperature/QMC/ene-L8-G2.0.dat b/sample/03_finite_temperature/QMC/ene-L8-G2.0.dat deleted file mode 100644 index 04344f48..00000000 --- a/sample/03_finite_temperature/QMC/ene-L8-G2.0.dat +++ /dev/null @@ -1,27 +0,0 @@ -0.2 -2.19082812e-01 5.57437243e-04 -0.4 -4.25000363e-01 1.89299944e-03 -0.6 -5.86528401e-01 2.11257246e-03 -0.8 -7.11773600e-01 1.45379651e-03 -1.0 -8.11550865e-01 8.14424053e-04 -1.1 -8.46098151e-01 1.48028678e-03 -1.2 -8.78221331e-01 2.90838526e-04 -1.3 -9.00731477e-01 2.22632944e-03 -1.4 -9.22683994e-01 7.12880768e-04 -1.5 -9.38328739e-01 6.59469558e-04 -1.6 -9.54496650e-01 1.14336980e-03 -1.7 -9.68039565e-01 9.64667195e-04 -1.8 -9.78777947e-01 1.10027925e-03 -1.9 -9.86848455e-01 6.10933123e-04 -2.0 -9.93177127e-01 1.25301342e-03 -2.1 -1.00075417e+00 7.20330053e-04 -2.2 -1.00479484e+00 6.30081680e-04 -2.3 -1.00839711e+00 5.32192481e-04 -2.4 -1.01328062e+00 2.17669102e-04 -2.5 -1.01628832e+00 4.98802166e-04 -2.6 -1.01719674e+00 6.11729957e-04 -2.7 -1.02027265e+00 6.08351001e-04 -2.8 -1.02210131e+00 2.97534870e-04 -2.9 -1.02405395e+00 3.48306316e-04 -3.0 -1.02509060e+00 4.08715469e-04 -3.5 -1.02848903e+00 2.27197260e-04 -4.0 -1.03067260e+00 3.70574508e-04 diff --git a/sample/03_finite_temperature/QMC/exec.sh b/sample/03_finite_temperature/QMC/exec.sh index 3d665b31..52ff9f56 100644 --- a/sample/03_finite_temperature/QMC/exec.sh +++ b/sample/03_finite_temperature/QMC/exec.sh @@ -1,5 +1,5 @@ -for L in 8 32; do - for G in 0.0 0.5 0.8 2.0; do +for L in 32; do + for G in 0.5 0.8 2.0; do file_ene=ene-L${L}-G${G}.dat file_magx=magx-L${L}-G${G}.dat file_spec=spec-L${L}-G${G}.dat diff --git a/sample/03_finite_temperature/QMC/exec_middle.sh b/sample/03_finite_temperature/QMC/exec_middle.sh new file mode 100644 index 00000000..a375cd8f --- /dev/null +++ b/sample/03_finite_temperature/QMC/exec_middle.sh @@ -0,0 +1,24 @@ +for L in 32; do + for G in 0.8; do + file_ene=ene-L${L}-G${G}.dat + file_magx=magx-L${L}-G${G}.dat + file_spec=spec-L${L}-G${G}.dat + rm -f $file_ene + rm -f $file_magx + rm -f $file_spec + + dla_alg -l lattice_L${L}.toml -h hamiltonian_G${G}.toml + + for beta in 0.2 0.4 0.6 0.8 1.0 1.1 1.2 1.3 1.4 1.5 1.6 1.7 1.8 1.9 2.0 2.1 2.2 2.3 2.4 2.5 2.6 2.7 2.8 2.9 3.0 3.5 4.0; do + cp common_param.in param.in + echo "beta = $beta" >> param.in + T=`echo "1.0/$beta" | bc -l` + srun dla param.in + output=sample-L${L}-G${G}-beta${beta}.log + mv sample.log $output + grep "ene" $output | awk --assign="beta=$beta" '{print beta,$4,$5}' >> $file_ene + grep "bmzu" $output | awk --assign="beta=$beta" '{print beta,$4,$5}' >> $file_magx + grep "spe" $output | awk --assign="beta=$beta" '{print beta,$4,$5}' >> $file_spec + done + done +done diff --git a/sample/03_finite_temperature/QMC/exec_strong.sh b/sample/03_finite_temperature/QMC/exec_strong.sh new file mode 100644 index 00000000..77aab04c --- /dev/null +++ b/sample/03_finite_temperature/QMC/exec_strong.sh @@ -0,0 +1,24 @@ +for L in 32; do + for G in 2.0; do + file_ene=ene-L${L}-G${G}.dat + file_magx=magx-L${L}-G${G}.dat + file_spec=spec-L${L}-G${G}.dat + rm -f $file_ene + rm -f $file_magx + rm -f $file_spec + + dla_alg -l lattice_L${L}.toml -h hamiltonian_G${G}.toml + + for beta in 0.2 0.4 0.6 0.8 1.0 1.1 1.2 1.3 1.4 1.5 1.6 1.7 1.8 1.9 2.0 2.1 2.2 2.3 2.4 2.5 2.6 2.7 2.8 2.9 3.0 3.5 4.0; do + cp common_param.in param.in + echo "beta = $beta" >> param.in + T=`echo "1.0/$beta" | bc -l` + srun dla param.in + output=sample-L${L}-G${G}-beta${beta}.log + mv sample.log $output + grep "ene" $output | awk --assign="beta=$beta" '{print beta,$4,$5}' >> $file_ene + grep "bmzu" $output | awk --assign="beta=$beta" '{print beta,$4,$5}' >> $file_magx + grep "spe" $output | awk --assign="beta=$beta" '{print beta,$4,$5}' >> $file_spec + done + done +done diff --git a/sample/03_finite_temperature/QMC/exec_weak.sh b/sample/03_finite_temperature/QMC/exec_weak.sh new file mode 100644 index 00000000..6eac154d --- /dev/null +++ b/sample/03_finite_temperature/QMC/exec_weak.sh @@ -0,0 +1,24 @@ +for L in 32; do + for G in 0.5 ; do + file_ene=ene-L${L}-G${G}.dat + file_magx=magx-L${L}-G${G}.dat + file_spec=spec-L${L}-G${G}.dat + rm -f $file_ene + rm -f $file_magx + rm -f $file_spec + + dla_alg -l lattice_L${L}.toml -h hamiltonian_G${G}.toml + + for beta in 0.2 0.4 0.6 0.8 1.0 1.1 1.2 1.3 1.4 1.5 1.6 1.7 1.8 1.9 2.0 2.1 2.2 2.3 2.4 2.5 2.6 2.7 2.8 2.9 3.0 3.5 4.0; do + cp common_param.in param.in + echo "beta = $beta" >> param.in + T=`echo "1.0/$beta" | bc -l` + srun dla param.in + output=sample-L${L}-G${G}-beta${beta}.log + mv sample.log $output + grep "ene" $output | awk --assign="beta=$beta" '{print beta,$4,$5}' >> $file_ene + grep "bmzu" $output | awk --assign="beta=$beta" '{print beta,$4,$5}' >> $file_magx + grep "spe" $output | awk --assign="beta=$beta" '{print beta,$4,$5}' >> $file_spec + done + done +done diff --git a/sample/03_finite_temperature/QMC/hamiltonian_G0.0.toml b/sample/03_finite_temperature/QMC/hamiltonian_G0.0.toml deleted file mode 100644 index a9c52316..00000000 --- a/sample/03_finite_temperature/QMC/hamiltonian_G0.0.toml +++ /dev/null @@ -1,40 +0,0 @@ -name = "S=1/2 XXZ model" -[[sites]] -type = 0 -N = 2 -values = [ -0.5, 0.5,] -elements = [] -[[sites.sources]] -istate = [ 0,] -fstate = [ 1,] -value = 0.5 - -[[sites.sources]] -istate = [ 1,] -fstate = [ 0,] -value = 0.5 - - -[[interactions]] -type = 0 -nbody = 2 -N = [ 2, 2,] -[[interactions.elements]] -istate = [ 0, 0,] -fstate = [ 1, 1,] -value = -0.25 - -[[interactions.elements]] -istate = [ 0, 1,] -fstate = [ 1, 0,] -value = -0.25 - -[[interactions.elements]] -istate = [ 1, 0,] -fstate = [ 0, 1,] -value = -0.25 - -[[interactions.elements]] -istate = [ 1, 1,] -fstate = [ 0, 0,] -value = -0.25 diff --git a/sample/03_finite_temperature/QMC/lattice.xml b/sample/03_finite_temperature/QMC/lattice.xml new file mode 100644 index 00000000..88659a89 --- /dev/null +++ b/sample/03_finite_temperature/QMC/lattice.xml @@ -0,0 +1,4122 @@ + + + hypercubic + 2 + 32 32 + True True + 1024 + 2048 + 1 + 2 + 1 + 64 + + 1.0 0.0 + 0.0 1.0 + + + 0 0 + 1 0 + 2 0 + 3 0 + 4 0 + 5 0 + 6 0 + 7 0 + 8 0 + 9 0 + 10 0 + 11 0 + 12 0 + 13 0 + 14 0 + 15 0 + 16 0 + 17 0 + 18 0 + 19 0 + 20 0 + 21 0 + 22 0 + 23 0 + 24 0 + 25 0 + 26 0 + 27 0 + 28 0 + 29 0 + 30 0 + 31 0 + 32 0 + 33 0 + 34 0 + 35 0 + 36 0 + 37 0 + 38 0 + 39 0 + 40 0 + 41 0 + 42 0 + 43 0 + 44 0 + 45 0 + 46 0 + 47 0 + 48 0 + 49 0 + 50 0 + 51 0 + 52 0 + 53 0 + 54 0 + 55 0 + 56 0 + 57 0 + 58 0 + 59 0 + 60 0 + 61 0 + 62 0 + 63 0 + 64 0 + 65 0 + 66 0 + 67 0 + 68 0 + 69 0 + 70 0 + 71 0 + 72 0 + 73 0 + 74 0 + 75 0 + 76 0 + 77 0 + 78 0 + 79 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a/sample/03_finite_temperature/QMC/lattice_L8.toml b/sample/03_finite_temperature/QMC/lattice_L8.toml deleted file mode 100644 index 2280482d..00000000 --- a/sample/03_finite_temperature/QMC/lattice_L8.toml +++ /dev/null @@ -1,31 +0,0 @@ -[parameter] -name = "hypercubic" -dim = 2 -L = [ 8, 8,] -bc = [ true, true,] -basis = [ [ "1.0", "0.0",], [ "0.0", "1.0",],] - -[unitcell] -[[unitcell.sites]] -siteid = 0 -type = 0 -coord = [ 0.0, 0.0,] - -[[unitcell.bonds]] -bondid = 0 -type = 0 - -[unitcell.bonds.source] -siteid = 0 -[unitcell.bonds.target] -siteid = 0 -offset = [ 1, 0,] -[[unitcell.bonds]] -bondid = 1 -type = 0 - -[unitcell.bonds.source] -siteid = 0 -[unitcell.bonds.target] -siteid = 0 -offset = [ 0, 1,] diff --git a/sample/03_finite_temperature/QMC/magx-L32-G0.0.dat b/sample/03_finite_temperature/QMC/magx-L32-G0.0.dat deleted file mode 100644 index 7cee65ac..00000000 --- a/sample/03_finite_temperature/QMC/magx-L32-G0.0.dat +++ /dev/null @@ -1,27 +0,0 @@ -0.2 -1.94406190e-04 2.72659766e-04 -0.4 4.71948996e-05 2.83043225e-04 -0.6 -4.52424848e-04 2.00033219e-04 -0.8 -2.44142450e-04 3.64590384e-04 -1.0 -1.51453413e-04 2.56752653e-04 -1.1 1.05588627e-03 4.54770911e-04 -1.2 -3.68117486e-04 3.24085915e-04 -1.3 -4.31488259e-04 3.65988342e-04 -1.4 8.70617347e-04 4.15016917e-04 -1.5 -4.35219536e-04 2.49025149e-04 -1.6 1.26823863e-04 3.27687419e-04 -1.7 3.92803495e-04 3.66135595e-04 -1.8 -4.32053510e-04 3.44765736e-04 -1.9 -5.29092455e-04 5.17333561e-04 -2.0 -1.66015325e-04 2.12996558e-04 -2.1 -3.91583749e-04 2.45725985e-04 -2.2 1.70060728e-04 2.45381118e-04 -2.3 -1.04559907e-04 2.79820929e-04 -2.4 -1.57002197e-04 3.37074713e-04 -2.5 -2.16277081e-05 7.44775897e-05 -2.6 2.09932591e-05 2.75702162e-04 -2.7 -2.12241346e-04 2.92670745e-04 -2.8 -1.34093175e-04 6.88391717e-05 -2.9 1.66902242e-05 2.75214768e-04 -3.0 -6.23662703e-05 1.56752455e-04 -3.5 -2.40919358e-05 2.14600579e-04 -4.0 -3.22099473e-04 1.30633820e-04 diff --git a/sample/03_finite_temperature/QMC/magx-L32-G0.5.dat b/sample/03_finite_temperature/QMC/magx-L32-G0.5.dat index 273e6bc5..f15bb483 100644 --- a/sample/03_finite_temperature/QMC/magx-L32-G0.5.dat +++ b/sample/03_finite_temperature/QMC/magx-L32-G0.5.dat @@ -1,27 +1,27 @@ -0.2 2.46498883e-02 2.83622689e-04 -0.4 4.87578634e-02 3.80179429e-04 -0.6 7.22122188e-02 2.83137504e-04 -0.8 9.31138462e-02 5.47042453e-04 -1.0 1.12966898e-01 4.03403573e-04 -1.1 1.20665645e-01 2.80963940e-04 -1.2 1.28256019e-01 2.24095527e-04 -1.3 1.34214434e-01 4.63200067e-04 -1.4 1.39389412e-01 4.63157411e-04 -1.5 1.44008635e-01 5.52874777e-04 -1.6 1.46732054e-01 2.46519287e-04 -1.7 1.47666273e-01 4.80319892e-04 -1.8 1.45128320e-01 4.05628111e-04 -1.9 1.39074415e-01 3.29337985e-04 -2.0 1.35943871e-01 1.84592970e-04 -2.1 1.32555010e-01 3.21150904e-04 -2.2 1.31093072e-01 1.57258299e-04 -2.3 1.30329913e-01 2.43978651e-04 -2.4 1.29537790e-01 2.61069642e-04 -2.5 1.28760458e-01 3.44883659e-04 -2.6 1.28280124e-01 1.18212533e-04 -2.7 1.27788863e-01 5.71205265e-05 -2.8 1.27702613e-01 7.98790781e-05 -2.9 1.27149178e-01 5.58721134e-05 -3.0 1.27248126e-01 1.74598869e-04 -3.5 1.26176185e-01 1.55546803e-04 -4.0 1.26366883e-01 1.38782313e-04 +0.2 2.49416924e-02 5.85873017e-05 +0.4 4.91286340e-02 7.12609224e-05 +0.6 7.21784897e-02 5.99591328e-05 +0.8 9.33814113e-02 7.50698322e-05 +1.0 1.12246080e-01 9.03207812e-05 +1.1 1.20298511e-01 8.32054669e-05 +1.2 1.27696173e-01 1.02209923e-04 +1.3 1.34070432e-01 1.32489459e-04 +1.4 1.39524493e-01 6.90142813e-05 +1.5 1.43820935e-01 1.30889868e-04 +1.6 1.46557887e-01 1.18868873e-04 +1.7 1.47945443e-01 9.76190202e-05 +1.8 1.45203258e-01 6.48124642e-05 +1.9 1.38889365e-01 5.92162282e-05 +2.0 1.35085305e-01 7.26473440e-05 +2.1 1.32800279e-01 4.24785210e-05 +2.2 1.31194091e-01 5.52296351e-05 +2.3 1.30304746e-01 4.70915722e-05 +2.4 1.29350770e-01 7.09725330e-05 +2.5 1.28695268e-01 2.91436783e-05 +2.6 1.28168701e-01 6.90075647e-05 +2.7 1.27860510e-01 7.59419574e-05 +2.8 1.27630710e-01 7.62925602e-05 +2.9 1.27264678e-01 4.35347558e-05 +3.0 1.27114808e-01 4.47609203e-05 +3.5 1.26624298e-01 4.02017544e-05 +4.0 1.26432525e-01 3.45550265e-05 diff --git a/sample/03_finite_temperature/QMC/magx-L32-G0.8.dat b/sample/03_finite_temperature/QMC/magx-L32-G0.8.dat index 70088c28..b4f522c5 100644 --- a/sample/03_finite_temperature/QMC/magx-L32-G0.8.dat +++ b/sample/03_finite_temperature/QMC/magx-L32-G0.8.dat @@ -1,27 +1,27 @@ -0.2 4.01893623e-02 1.69599392e-04 -0.4 7.85611153e-02 2.46124727e-04 -0.6 1.14474317e-01 4.35780996e-04 -0.8 1.47018292e-01 3.98899097e-04 -1.0 1.75271107e-01 5.25692339e-04 -1.1 1.87673124e-01 2.51162797e-04 -1.2 1.98632374e-01 2.37224360e-04 -1.3 2.07918620e-01 2.92777731e-04 -1.4 2.16776207e-01 2.25275779e-04 -1.5 2.23604978e-01 3.94183826e-04 -1.6 2.29332572e-01 2.51108506e-04 -1.7 2.33270116e-01 4.88404605e-04 -1.8 2.35376384e-01 3.34511492e-04 -1.9 2.35213196e-01 2.39819456e-04 -2.0 2.30760117e-01 2.56490224e-04 -2.1 2.23964560e-01 2.08490491e-04 -2.2 2.18301688e-01 3.71887526e-04 -2.3 2.15844955e-01 1.57014822e-04 -2.4 2.13732988e-01 1.53588169e-04 -2.5 2.11775941e-01 9.17609805e-05 -2.6 2.10114109e-01 1.96776526e-04 -2.7 2.09839673e-01 1.58952630e-04 -2.8 2.08693555e-01 8.79927783e-05 -2.9 2.08556658e-01 1.97859662e-04 -3.0 2.08103053e-01 1.80975993e-04 -3.5 2.06487715e-01 1.79844798e-04 -4.0 2.06034356e-01 1.68828962e-04 +0.2 3.98204058e-02 8.51154721e-05 +0.4 7.83112615e-02 5.87479941e-05 +0.6 1.14335308e-01 1.07993325e-04 +0.8 1.46835594e-01 9.81988733e-05 +1.0 1.75213739e-01 8.63047378e-05 +1.1 1.87543769e-01 9.59348047e-05 +1.2 1.98551380e-01 6.61149609e-05 +1.3 2.08401426e-01 6.39190268e-05 +1.4 2.16845635e-01 7.83194023e-05 +1.5 2.23977959e-01 7.02162622e-05 +1.6 2.29513022e-01 6.70336960e-05 +1.7 2.33532848e-01 8.73161831e-05 +1.8 2.35756018e-01 8.83542185e-05 +1.9 2.35649831e-01 8.93623908e-05 +2.0 2.31471589e-01 4.04813819e-05 +2.1 2.23666015e-01 5.81710840e-05 +2.2 2.18557098e-01 3.67852411e-05 +2.3 2.15504494e-01 5.15107733e-05 +2.4 2.13288162e-01 6.62043544e-05 +2.5 2.11735762e-01 4.89643532e-05 +2.6 2.10545491e-01 4.31972783e-05 +2.7 2.09657914e-01 5.93990825e-05 +2.8 2.08934205e-01 5.33579056e-05 +2.9 2.08401161e-01 5.65793903e-05 +3.0 2.07854149e-01 3.91850848e-05 +3.5 2.06574274e-01 4.46973851e-05 +4.0 2.06127013e-01 4.42721735e-05 diff --git a/sample/03_finite_temperature/QMC/magx-L32-G2.0.dat b/sample/03_finite_temperature/QMC/magx-L32-G2.0.dat index edf7d62e..520f1c0c 100644 --- a/sample/03_finite_temperature/QMC/magx-L32-G2.0.dat +++ b/sample/03_finite_temperature/QMC/magx-L32-G2.0.dat @@ -1,27 +1,27 @@ -0.2 9.81082214e-02 1.00482955e-04 -0.4 1.87566389e-01 5.40589755e-04 -0.6 2.62618814e-01 1.55536442e-04 -0.8 3.20111638e-01 1.90887203e-04 -1.0 3.64503928e-01 1.10623456e-04 -1.1 3.81334655e-01 2.31752036e-04 -1.2 3.95976767e-01 1.61812892e-04 -1.3 4.08331483e-01 1.37709819e-04 -1.4 4.18861740e-01 1.90644208e-04 -1.5 4.27697004e-01 6.10223695e-05 -1.6 4.35286177e-01 1.04005339e-04 -1.7 4.41529448e-01 2.38654398e-04 -1.8 4.47113109e-01 1.33063205e-04 -1.9 4.51592014e-01 1.12587010e-04 -2.0 4.55607912e-01 1.25204882e-04 -2.1 4.58934844e-01 1.24436390e-04 -2.2 4.61814635e-01 1.09370971e-04 -2.3 4.64147245e-01 6.23481246e-05 -2.4 4.66180158e-01 9.54741517e-05 -2.5 4.67869539e-01 9.61116774e-05 -2.6 4.69509879e-01 2.26652005e-05 -2.7 4.70893374e-01 5.51396523e-05 -2.8 4.72007896e-01 6.11410156e-05 -2.9 4.73052727e-01 5.53790221e-05 -3.0 4.73898827e-01 2.45818186e-05 -3.5 4.76991579e-01 4.53688346e-05 -4.0 4.78501839e-01 2.18667756e-05 +0.2 9.83503256e-02 7.04779166e-05 +0.4 1.87692316e-01 6.71575494e-05 +0.6 2.62341184e-01 5.70793172e-05 +0.8 3.20717064e-01 4.50689965e-05 +1.0 3.64300857e-01 3.36280360e-05 +1.1 3.81527934e-01 5.41010268e-05 +1.2 3.96084535e-01 3.71128150e-05 +1.3 4.08518343e-01 3.36739013e-05 +1.4 4.18867933e-01 3.68251105e-05 +1.5 4.27759505e-01 3.27613889e-05 +1.6 4.35296668e-01 2.92645452e-05 +1.7 4.41604319e-01 2.99258585e-05 +1.8 4.46986956e-01 3.46294042e-05 +1.9 4.51545459e-01 1.97180622e-05 +2.0 4.55442127e-01 2.04457365e-05 +2.1 4.58791295e-01 2.66323109e-05 +2.2 4.61627853e-01 1.73382739e-05 +2.3 4.64026634e-01 1.58400230e-05 +2.4 4.66168388e-01 2.00404436e-05 +2.5 4.67937392e-01 1.44087890e-05 +2.6 4.69507162e-01 1.41121715e-05 +2.7 4.70851297e-01 1.27715810e-05 +2.8 4.72011314e-01 1.80958082e-05 +2.9 4.73008510e-01 1.30328860e-05 +3.0 4.73875505e-01 1.69534933e-05 +3.5 4.76872050e-01 1.14462348e-05 +4.0 4.78481578e-01 1.24100097e-05 diff --git a/sample/03_finite_temperature/QMC/magx-L8-G0.0.dat b/sample/03_finite_temperature/QMC/magx-L8-G0.0.dat deleted file mode 100644 index 3193641c..00000000 --- a/sample/03_finite_temperature/QMC/magx-L8-G0.0.dat +++ /dev/null @@ -1,27 +0,0 @@ -0.2 6.47325610e-04 1.76638469e-04 -0.4 -3.83048716e-04 1.81641807e-03 -0.6 -1.81649253e-05 6.52702973e-04 -0.8 8.63208093e-04 3.59940303e-04 -1.0 1.15287230e-03 8.90916692e-04 -1.1 1.25624812e-03 1.52752113e-03 -1.2 2.34551404e-03 9.76851761e-04 -1.3 -2.99191892e-04 1.72206095e-03 -1.4 7.87592235e-04 1.72065725e-03 -1.5 -4.76251656e-04 7.30305097e-04 -1.6 -4.16218791e-04 1.96477698e-03 -1.7 -1.21182850e-03 1.73080715e-03 -1.8 1.00283293e-03 1.07985231e-03 -1.9 8.61642582e-04 1.11814379e-03 -2.0 -6.60384212e-04 2.75765256e-04 -2.1 3.07530994e-05 7.91118736e-04 -2.2 -9.06157972e-04 3.97886671e-04 -2.3 -1.01752124e-03 3.85577443e-04 -2.4 1.32059090e-04 1.35952076e-03 -2.5 -8.57821484e-04 9.21425558e-04 -2.6 2.14450055e-04 6.19749256e-04 -2.7 2.27015098e-04 6.90396750e-04 -2.8 7.34681342e-04 2.38247102e-04 -2.9 -9.91006643e-04 7.45825849e-04 -3.0 2.38577667e-04 3.72826437e-04 -3.5 -6.73078933e-04 7.56493878e-04 -4.0 -3.30299068e-05 2.41800966e-04 diff --git a/sample/03_finite_temperature/QMC/magx-L8-G0.5.dat b/sample/03_finite_temperature/QMC/magx-L8-G0.5.dat deleted file mode 100644 index 9555d55a..00000000 --- a/sample/03_finite_temperature/QMC/magx-L8-G0.5.dat +++ /dev/null @@ -1,27 +0,0 @@ -0.2 2.58350107e-02 1.00704810e-03 -0.4 4.91295824e-02 9.87198136e-04 -0.6 7.23690412e-02 1.08786368e-03 -0.8 9.42517951e-02 8.49975850e-04 -1.0 1.09716470e-01 1.87275393e-03 -1.1 1.20604931e-01 1.61772586e-03 -1.2 1.26063722e-01 8.06277612e-04 -1.3 1.31868835e-01 1.03869533e-03 -1.4 1.38040668e-01 1.56134136e-03 -1.5 1.42423237e-01 7.92172104e-04 -1.6 1.44911615e-01 2.02099227e-03 -1.7 1.43733669e-01 1.19465225e-03 -1.8 1.41050619e-01 1.26927213e-03 -1.9 1.37516363e-01 1.88497203e-03 -2.0 1.34583493e-01 9.48210794e-04 -2.1 1.34074268e-01 1.25212773e-04 -2.2 1.30121608e-01 9.57793270e-04 -2.3 1.30697732e-01 1.53397857e-03 -2.4 1.30280382e-01 1.34742415e-03 -2.5 1.28809020e-01 1.06875270e-03 -2.6 1.27159627e-01 1.50340412e-03 -2.7 1.27694539e-01 1.03065938e-03 -2.8 1.28143999e-01 1.35102610e-03 -2.9 1.28009998e-01 8.13092431e-04 -3.0 1.27331592e-01 3.41846482e-04 -3.5 1.26332648e-01 5.62293307e-04 -4.0 1.26899464e-01 5.36906603e-04 diff --git a/sample/03_finite_temperature/QMC/magx-L8-G0.8.dat b/sample/03_finite_temperature/QMC/magx-L8-G0.8.dat deleted file mode 100644 index f39b1e87..00000000 --- a/sample/03_finite_temperature/QMC/magx-L8-G0.8.dat +++ /dev/null @@ -1,27 +0,0 @@ -0.2 3.97792224e-02 3.13551075e-04 -0.4 7.90118602e-02 1.57527902e-03 -0.6 1.14005688e-01 1.21736822e-03 -0.8 1.47579691e-01 1.46257417e-03 -1.0 1.73914565e-01 1.50165218e-03 -1.1 1.86094696e-01 9.71505241e-04 -1.2 1.98817243e-01 2.25190419e-03 -1.3 2.07829817e-01 5.18888352e-04 -1.4 2.17640471e-01 1.01973368e-03 -1.5 2.22315276e-01 8.45135815e-04 -1.6 2.27554755e-01 1.01346991e-03 -1.7 2.27523723e-01 1.25717287e-03 -1.8 2.30492304e-01 1.71998276e-03 -1.9 2.28166934e-01 9.83365332e-04 -2.0 2.21865648e-01 1.98214533e-03 -2.1 2.18429959e-01 1.69374341e-03 -2.2 2.18958577e-01 7.21193855e-04 -2.3 2.15774679e-01 1.21970521e-03 -2.4 2.13205683e-01 6.13637086e-04 -2.5 2.13321387e-01 1.06158679e-03 -2.6 2.10283080e-01 7.27412207e-04 -2.7 2.08575191e-01 1.08304004e-03 -2.8 2.08047753e-01 9.95786028e-04 -2.9 2.09529861e-01 1.54618988e-03 -3.0 2.07558965e-01 5.61392616e-04 -3.5 2.07544464e-01 7.86794570e-04 -4.0 2.05411683e-01 4.21567430e-04 diff --git a/sample/03_finite_temperature/QMC/magx-L8-G2.0.dat b/sample/03_finite_temperature/QMC/magx-L8-G2.0.dat deleted file mode 100644 index 24d53bd2..00000000 --- a/sample/03_finite_temperature/QMC/magx-L8-G2.0.dat +++ /dev/null @@ -1,27 +0,0 @@ -0.2 9.80570311e-02 5.12274055e-04 -0.4 1.89101744e-01 1.16311679e-03 -0.6 2.62378784e-01 7.10936290e-04 -0.8 3.18831136e-01 4.16807547e-04 -1.0 3.65431683e-01 2.93588644e-04 -1.1 3.82029900e-01 5.95216385e-04 -1.2 3.96916655e-01 3.16069427e-04 -1.3 4.08286411e-01 7.53509663e-04 -1.4 4.18055167e-01 5.01520842e-04 -1.5 4.27370099e-01 2.84440925e-04 -1.6 4.35551548e-01 4.21136029e-04 -1.7 4.41400297e-01 4.40764582e-04 -1.8 4.47071265e-01 4.00920811e-04 -1.9 4.51434096e-01 8.16109872e-04 -2.0 4.55270204e-01 1.68584261e-04 -2.1 4.58615551e-01 2.16636476e-04 -2.2 4.61886057e-01 4.00431868e-04 -2.3 4.64244410e-01 4.62780093e-04 -2.4 4.66571950e-01 1.20083791e-04 -2.5 4.67870721e-01 2.89642438e-04 -2.6 4.68605880e-01 3.31535973e-04 -2.7 4.70589161e-01 2.50828935e-04 -2.8 4.72282518e-01 2.59377963e-04 -2.9 4.72797451e-01 1.64888599e-04 -3.0 4.73615610e-01 2.65007996e-04 -3.5 4.76697642e-01 1.36860131e-04 -4.0 4.78225947e-01 2.07147716e-04 diff --git a/sample/03_finite_temperature/QMC/param.in b/sample/03_finite_temperature/QMC/param.in new file mode 100644 index 00000000..86fab5cf --- /dev/null +++ b/sample/03_finite_temperature/QMC/param.in @@ -0,0 +1,19 @@ +algfile = algorithm.xml +cfoutfile = cf.dat +ckoutfile = ck.dat +dispfile = +latfile = lattice.xml +ndecor = 1000 +nmcs = 5000 +npre = 1000 +nsegmax = 1000000 +nset = 4 +ntau = 10 +ntherm = 1000 +nvermax = 1000000 +outfile = sample.log +seed = 31415 +sfoutfile = sf.dat +simulationtime = 0.0 +wvfile = +beta = 4.0 diff --git a/sample/03_finite_temperature/QMC/spec-L32-G0.0.dat b/sample/03_finite_temperature/QMC/spec-L32-G0.0.dat deleted file mode 100644 index e6ae52e0..00000000 --- a/sample/03_finite_temperature/QMC/spec-L32-G0.0.dat +++ /dev/null @@ -1,27 +0,0 @@ -0.2 4.70219238e-03 3.31306602e-04 -0.4 2.10052988e-02 1.36762760e-03 -0.6 5.04712676e-02 2.12108586e-03 -0.8 8.52539541e-02 3.51735196e-03 -1.0 1.73730045e-01 3.13533998e-03 -1.1 2.27679651e-01 3.67524512e-03 -1.2 2.77305489e-01 1.39190633e-02 -1.3 3.09387427e-01 2.16510485e-02 -1.4 4.47554784e-01 2.37267451e-02 -1.5 5.85405248e-01 2.57423108e-02 -1.6 7.84413521e-01 5.08239255e-02 -1.7 1.57191927e+00 9.54643779e-02 -1.8 1.46173090e+00 6.10277296e-02 -1.9 1.00668925e+00 4.02733569e-02 -2.0 6.71266436e-01 9.77321362e-02 -2.1 6.05717869e-01 6.38236856e-02 -2.2 3.47123087e-01 4.05983546e-02 -2.3 3.75957517e-01 1.01881542e-01 -2.4 3.65810146e-01 9.84220469e-02 -2.5 2.65852998e-01 7.70832280e-02 -2.6 1.81171985e-01 3.00390299e-02 -2.7 1.94604842e-01 4.67556337e-02 -2.8 1.68041306e-01 3.88904416e-02 -2.9 2.02761666e-01 5.98860199e-02 -3.0 1.60879005e-01 3.71362934e-02 -3.5 1.40428649e-01 5.53759529e-02 -4.0 -3.25186885e-02 4.70812686e-02 diff --git a/sample/03_finite_temperature/QMC/spec-L32-G0.5.dat b/sample/03_finite_temperature/QMC/spec-L32-G0.5.dat index 92bebf7d..e2d2618a 100644 --- a/sample/03_finite_temperature/QMC/spec-L32-G0.5.dat +++ b/sample/03_finite_temperature/QMC/spec-L32-G0.5.dat @@ -1,27 +1,27 @@ -0.2 6.99334278e-03 1.32817981e-04 -0.4 2.82270801e-02 1.07179372e-03 -0.6 7.08928422e-02 4.89588256e-03 -0.8 1.19990027e-01 5.72581332e-03 -1.0 2.25097084e-01 9.67028163e-03 -1.1 2.04952964e-01 1.46275823e-02 -1.2 3.03878908e-01 1.05194707e-02 -1.3 3.67441799e-01 1.82806157e-02 -1.4 4.36816794e-01 1.33409666e-02 -1.5 5.15131657e-01 4.17739724e-02 -1.6 6.54886040e-01 7.57932487e-02 -1.7 8.26899309e-01 4.14989540e-02 -1.8 1.47634869e+00 1.18392715e-01 -1.9 1.26635155e+00 7.00557556e-02 -2.0 8.54238201e-01 1.21607023e-01 -2.1 5.35306624e-01 8.78170120e-02 -2.2 5.01654222e-01 7.18623831e-02 -2.3 4.00387337e-01 5.41543961e-02 -2.4 4.18758961e-01 3.23998850e-02 -2.5 2.97799632e-01 4.42315845e-02 -2.6 1.88930360e-01 3.90039778e-02 -2.7 1.31995984e-01 9.28506186e-02 -2.8 6.87995265e-02 4.23961388e-02 -2.9 2.26551048e-01 6.64539013e-02 -3.0 1.15321878e-01 8.46280605e-02 -3.5 2.09529489e-01 9.99684894e-02 -4.0 -6.04425161e-02 6.48939452e-02 +0.2 7.46810631e-03 6.21212375e-05 +0.4 3.01040170e-02 3.55208381e-04 +0.6 6.98760263e-02 4.76967152e-04 +0.8 1.23274403e-01 1.70598196e-03 +1.0 1.96025980e-01 3.54814279e-03 +1.1 2.38740237e-01 2.71096407e-03 +1.2 2.92523138e-01 4.19270139e-03 +1.3 3.57701609e-01 4.51664107e-03 +1.4 4.31323492e-01 6.47621649e-03 +1.5 5.30895869e-01 7.37279005e-03 +1.6 6.47940788e-01 9.50092169e-03 +1.7 8.69477602e-01 1.06663466e-02 +1.8 1.48488189e+00 2.10882269e-02 +1.9 1.36792223e+00 2.42059544e-02 +2.0 8.83524832e-01 1.07678181e-02 +2.1 6.57288193e-01 1.28939509e-02 +2.2 5.06075857e-01 1.13013292e-02 +2.3 4.16474256e-01 1.33503302e-02 +2.4 3.55858187e-01 6.94359182e-03 +2.5 2.92215028e-01 9.14396148e-03 +2.6 2.36062427e-01 1.03986992e-02 +2.7 1.83314469e-01 1.28022315e-02 +2.8 1.75230509e-01 1.07007567e-02 +2.9 1.54987662e-01 7.40217971e-03 +3.0 1.21797699e-01 1.07212347e-02 +3.5 7.58697090e-02 7.23824284e-03 +4.0 -6.58967070e-03 1.60300273e-02 diff --git a/sample/03_finite_temperature/QMC/spec-L32-G0.8.dat b/sample/03_finite_temperature/QMC/spec-L32-G0.8.dat index 10fc5f76..9b9d0b1e 100644 --- a/sample/03_finite_temperature/QMC/spec-L32-G0.8.dat +++ b/sample/03_finite_temperature/QMC/spec-L32-G0.8.dat @@ -1,27 +1,27 @@ -0.2 1.10865246e-02 1.93646355e-04 -0.4 4.59360349e-02 7.76317162e-04 -0.6 9.41672952e-02 4.20627783e-03 -0.8 1.60349737e-01 3.80488168e-03 -1.0 2.39922599e-01 7.49284976e-03 -1.1 2.63075064e-01 9.55043826e-03 -1.2 3.16994095e-01 2.02072141e-02 -1.3 3.29745075e-01 2.16225750e-02 -1.4 4.09345232e-01 1.15150100e-02 -1.5 4.72576365e-01 3.19002672e-02 -1.6 4.89492819e-01 3.96223220e-02 -1.7 5.55887258e-01 2.20775222e-02 -1.8 6.30613488e-01 1.52425693e-02 -1.9 7.84241954e-01 3.62015686e-02 -2.0 1.12476509e+00 5.28010898e-02 -2.1 1.04262788e+00 5.02615336e-02 -2.2 8.47805373e-01 6.69664130e-02 -2.3 5.61760585e-01 7.69159185e-02 -2.4 4.78872316e-01 2.96050171e-02 -2.5 3.13559418e-01 2.63216410e-02 -2.6 3.63067350e-01 3.32302341e-02 -2.7 2.20579935e-01 3.51754504e-02 -2.8 1.36876643e-01 3.18360389e-02 -2.9 2.47963049e-01 3.28383360e-02 -3.0 1.59265315e-01 1.98004177e-02 -3.5 1.61166726e-01 3.70143502e-02 -4.0 1.77531089e-01 4.56953323e-02 +0.2 1.12494947e-02 1.27021499e-04 +0.4 4.37771832e-02 3.80631111e-04 +0.6 9.58651842e-02 8.63827938e-04 +0.8 1.58475879e-01 1.20738289e-03 +1.0 2.32419834e-01 2.28613401e-03 +1.1 2.75100839e-01 2.45033305e-03 +1.2 3.08117552e-01 2.43305458e-03 +1.3 3.53056847e-01 5.33906821e-03 +1.4 4.02409580e-01 4.45585982e-03 +1.5 4.52102771e-01 4.90915143e-03 +1.6 5.00940811e-01 5.00213144e-03 +1.7 5.64354301e-01 6.79851839e-03 +1.8 6.56024740e-01 7.82605462e-03 +1.9 8.37447936e-01 1.18833036e-02 +2.0 1.16261220e+00 1.63518590e-02 +2.1 1.06520790e+00 1.53247122e-02 +2.2 7.40376862e-01 8.80117071e-03 +2.3 5.70806764e-01 8.67531268e-03 +2.4 4.70208933e-01 9.59937293e-03 +2.5 3.61199078e-01 6.62571526e-03 +2.6 3.17483543e-01 8.27529815e-03 +2.7 2.67738473e-01 9.85870335e-03 +2.8 2.21186631e-01 9.63641335e-03 +2.9 1.94635883e-01 1.14849101e-02 +3.0 1.65697872e-01 1.04248473e-02 +3.5 7.19650615e-02 9.98550460e-03 +4.0 3.53143495e-02 9.61388537e-03 diff --git a/sample/03_finite_temperature/QMC/spec-L32-G2.0.dat b/sample/03_finite_temperature/QMC/spec-L32-G2.0.dat index 4ac0c2b7..b90ed300 100644 --- a/sample/03_finite_temperature/QMC/spec-L32-G2.0.dat +++ b/sample/03_finite_temperature/QMC/spec-L32-G2.0.dat @@ -1,27 +1,27 @@ -0.2 4.25157413e-02 7.06887125e-04 -0.4 1.48599511e-01 1.93700690e-03 -0.6 2.53738673e-01 2.06960104e-03 -0.8 3.45353351e-01 6.47887936e-03 -1.0 4.04479883e-01 1.96011427e-02 -1.1 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b/sample/03_finite_temperature/QMC/spec-L8-G0.5.dat deleted file mode 100644 index 2a52726f..00000000 --- a/sample/03_finite_temperature/QMC/spec-L8-G0.5.dat +++ /dev/null @@ -1,27 +0,0 @@ -0.2 8.71035337e-03 6.41996791e-04 -0.4 2.85052651e-02 1.27851481e-03 -0.6 6.81189327e-02 1.42516794e-03 -0.8 1.20138395e-01 2.72902849e-03 -1.0 2.04982712e-01 4.52965242e-03 -1.1 2.54177005e-01 1.30646177e-02 -1.2 2.92977446e-01 1.51082872e-02 -1.3 3.75406314e-01 1.51247323e-02 -1.4 5.36456314e-01 1.23506423e-02 -1.5 7.03309307e-01 4.39259721e-02 -1.6 8.35255381e-01 9.08431292e-02 -1.7 1.06551226e+00 9.12747498e-02 -1.8 9.52009711e-01 4.76316052e-02 -1.9 8.13154980e-01 4.37316550e-02 -2.0 8.13774354e-01 4.37229526e-02 -2.1 6.59870765e-01 6.50889232e-02 -2.2 5.43628754e-01 7.66069346e-02 -2.3 3.41775370e-01 2.09370171e-02 -2.4 3.26021386e-01 8.31204233e-02 -2.5 2.85301465e-01 5.87520598e-02 -2.6 2.07366022e-01 3.78357509e-02 -2.7 1.62673614e-01 5.15299353e-02 -2.8 2.18547673e-01 6.68748624e-02 -2.9 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