----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:40:03]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.292228870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.970307370000004 0.000000000000000 c 0.000000000000000 0.000000000000000 8.136280449999999 Atomic positions (fractional): *1 Na 0.43642847771924 0.60699666540515 0.61546939101356 22.990 2 Na 0.93642847771924 0.89300333459485 0.38453060898644 22.990 3 Na 0.06357152228076 0.39300333459485 0.11546939101356 22.990 4 Na 0.56357152228076 0.10699666540515 0.88453060898644 22.990 5 Na 0.56357152228076 0.39300333459485 0.38453060898644 22.990 6 Na 0.06357152228076 0.10699666540515 0.61546939101356 22.990 7 Na 0.93642847771924 0.60699666540515 0.88453060898644 22.990 8 Na 0.43642847771924 0.89300333459485 0.11546939101356 22.990 *9 Hg 0.27000582469570 0.30284070077503 0.77987157984898 200.590 10 Hg 0.77000582469570 0.19715929922497 0.22012842015102 200.590 11 Hg 0.22999417530430 0.69715929922497 0.27987157984898 200.590 12 Hg 0.72999417530430 0.80284070077503 0.72012842015102 200.590 13 Hg 0.72999417530430 0.69715929922497 0.22012842015102 200.590 14 Hg 0.22999417530430 0.80284070077503 0.77987157984898 200.590 15 Hg 0.77000582469570 0.30284070077503 0.72012842015102 200.590 16 Hg 0.27000582469570 0.19715929922497 0.27987157984898 200.590 *17 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 18 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 19 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 20 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 *21 S 0.73603429048648 0.47991968431460 0.66433753049656 32.065 22 S 0.23603429048648 0.02008031568540 0.33566246950344 32.065 23 S 0.76396570951352 0.52008031568540 0.16433753049656 32.065 24 S 0.26396570951352 0.97991968431460 0.83566246950344 32.065 25 S 0.26396570951352 0.52008031568540 0.33566246950344 32.065 26 S 0.76396570951352 0.97991968431460 0.66433753049656 32.065 27 S 0.23603429048648 0.47991968431460 0.83566246950344 32.065 28 S 0.73603429048648 0.02008031568540 0.16433753049656 32.065 *29 S 0.51368528785184 0.72476268008408 0.90527573768476 32.065 30 S 0.01368528785184 0.77523731991592 0.09472426231524 32.065 31 S 0.98631471214816 0.27523731991592 0.40527573768476 32.065 32 S 0.48631471214816 0.22476268008408 0.59472426231524 32.065 33 S 0.48631471214816 0.27523731991592 0.09472426231524 32.065 34 S 0.98631471214816 0.22476268008408 0.90527573768476 32.065 35 S 0.01368528785184 0.72476268008408 0.59472426231524 32.065 36 S 0.51368528785184 0.77523731991592 0.40527573768476 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.292228870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.970307370000004 0.000000000000000 c 0.000000000000000 0.000000000000000 8.136280449999999 Atomic positions (fractional): *1 Na 0.43642847771924 0.60699666540515 0.61546939101356 22.990 > 1 2 Na 0.93642847771924 0.89300333459485 0.38453060898644 22.990 > 2 3 Na 0.06357152228076 0.39300333459485 0.11546939101356 22.990 > 3 4 Na 0.56357152228076 0.10699666540515 0.88453060898644 22.990 > 4 5 Na 0.56357152228076 0.39300333459485 0.38453060898644 22.990 > 5 6 Na 0.06357152228076 0.10699666540515 0.61546939101356 22.990 > 6 7 Na 0.93642847771924 0.60699666540515 0.88453060898644 22.990 > 7 8 Na 0.43642847771924 0.89300333459485 0.11546939101356 22.990 > 8 *9 Hg 0.27000582469570 0.30284070077503 0.77987157984898 200.590 > 9 10 Hg 0.77000582469570 0.19715929922497 0.22012842015102 200.590 > 10 11 Hg 0.22999417530430 0.69715929922497 0.27987157984898 200.590 > 11 12 Hg 0.72999417530430 0.80284070077503 0.72012842015102 200.590 > 12 13 Hg 0.72999417530430 0.69715929922497 0.22012842015102 200.590 > 13 14 Hg 0.22999417530430 0.80284070077503 0.77987157984898 200.590 > 14 15 Hg 0.77000582469570 0.30284070077503 0.72012842015102 200.590 > 15 16 Hg 0.27000582469570 0.19715929922497 0.27987157984898 200.590 > 16 *17 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 17 18 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 18 19 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 19 20 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 > 20 *21 S 0.73603429048648 0.47991968431460 0.66433753049656 32.065 > 21 22 S 0.23603429048648 0.02008031568540 0.33566246950344 32.065 > 22 23 S 0.76396570951352 0.52008031568540 0.16433753049656 32.065 > 23 24 S 0.26396570951352 0.97991968431460 0.83566246950344 32.065 > 24 25 S 0.26396570951352 0.52008031568540 0.33566246950344 32.065 > 25 26 S 0.76396570951352 0.97991968431460 0.66433753049656 32.065 > 26 27 S 0.23603429048648 0.47991968431460 0.83566246950344 32.065 > 27 28 S 0.73603429048648 0.02008031568540 0.16433753049656 32.065 > 28 *29 S 0.51368528785184 0.72476268008408 0.90527573768476 32.065 > 29 30 S 0.01368528785184 0.77523731991592 0.09472426231524 32.065 > 30 31 S 0.98631471214816 0.27523731991592 0.40527573768476 32.065 > 31 32 S 0.48631471214816 0.22476268008408 0.59472426231524 32.065 > 32 33 S 0.48631471214816 0.27523731991592 0.09472426231524 32.065 > 33 34 S 0.98631471214816 0.22476268008408 0.90527573768476 32.065 > 34 35 S 0.01368528785184 0.72476268008408 0.59472426231524 32.065 > 35 36 S 0.51368528785184 0.77523731991592 0.40527573768476 32.065 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.584457740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.970307370000004 0.000000000000000 c 0.000000000000000 0.000000000000000 16.272560899999998 Atomic positions (fractional): *1 Na 0.21821423885962 0.60699666540515 0.30773469550678 22.990 > 1 2 Na 0.71821423885962 0.60699666540515 0.30773469550678 22.990 > 1 3 Na 0.21821423885962 0.60699666540515 0.80773469550678 22.990 > 1 4 Na 0.71821423885962 0.60699666540515 0.80773469550678 22.990 > 1 5 Na 0.46821423885962 0.89300333459485 0.19226530449322 22.990 > 2 6 Na 0.96821423885962 0.89300333459485 0.19226530449322 22.990 > 2 7 Na 0.46821423885962 0.89300333459485 0.69226530449322 22.990 > 2 8 Na 0.96821423885962 0.89300333459485 0.69226530449322 22.990 > 2 9 Na 0.03178576114038 0.39300333459485 0.05773469550678 22.990 > 3 10 Na 0.53178576114038 0.39300333459485 0.05773469550678 22.990 > 3 11 Na 0.03178576114038 0.39300333459485 0.55773469550678 22.990 > 3 12 Na 0.53178576114038 0.39300333459485 0.55773469550678 22.990 > 3 13 Na 0.28178576114038 0.10699666540515 0.44226530449322 22.990 > 4 14 Na 0.78178576114038 0.10699666540515 0.44226530449322 22.990 > 4 15 Na 0.28178576114038 0.10699666540515 0.94226530449322 22.990 > 4 16 Na 0.78178576114038 0.10699666540515 0.94226530449322 22.990 > 4 17 Na 0.28178576114038 0.39300333459485 0.19226530449322 22.990 > 5 18 Na 0.78178576114038 0.39300333459485 0.19226530449322 22.990 > 5 19 Na 0.28178576114038 0.39300333459485 0.69226530449322 22.990 > 5 20 Na 0.78178576114038 0.39300333459485 0.69226530449322 22.990 > 5 21 Na 0.03178576114038 0.10699666540515 0.30773469550678 22.990 > 6 22 Na 0.53178576114038 0.10699666540515 0.30773469550678 22.990 > 6 23 Na 0.03178576114038 0.10699666540515 0.80773469550678 22.990 > 6 24 Na 0.53178576114038 0.10699666540515 0.80773469550678 22.990 > 6 25 Na 0.46821423885962 0.60699666540515 0.44226530449322 22.990 > 7 26 Na 0.96821423885962 0.60699666540515 0.44226530449322 22.990 > 7 27 Na 0.46821423885962 0.60699666540515 0.94226530449322 22.990 > 7 28 Na 0.96821423885962 0.60699666540515 0.94226530449322 22.990 > 7 29 Na 0.21821423885962 0.89300333459485 0.05773469550678 22.990 > 8 30 Na 0.71821423885962 0.89300333459485 0.05773469550678 22.990 > 8 31 Na 0.21821423885962 0.89300333459485 0.55773469550678 22.990 > 8 32 Na 0.71821423885962 0.89300333459485 0.55773469550678 22.990 > 8 *33 Hg 0.13500291234785 0.30284070077503 0.38993578992449 200.590 > 9 34 Hg 0.63500291234785 0.30284070077503 0.38993578992449 200.590 > 9 35 Hg 0.13500291234785 0.30284070077503 0.88993578992449 200.590 > 9 36 Hg 0.63500291234785 0.30284070077503 0.88993578992449 200.590 > 9 37 Hg 0.38500291234785 0.19715929922497 0.11006421007551 200.590 > 10 38 Hg 0.88500291234785 0.19715929922497 0.11006421007551 200.590 > 10 39 Hg 0.38500291234785 0.19715929922497 0.61006421007551 200.590 > 10 40 Hg 0.88500291234785 0.19715929922497 0.61006421007551 200.590 > 10 41 Hg 0.11499708765215 0.69715929922497 0.13993578992449 200.590 > 11 42 Hg 0.61499708765215 0.69715929922497 0.13993578992449 200.590 > 11 43 Hg 0.11499708765215 0.69715929922497 0.63993578992449 200.590 > 11 44 Hg 0.61499708765215 0.69715929922497 0.63993578992449 200.590 > 11 45 Hg 0.36499708765215 0.80284070077503 0.36006421007551 200.590 > 12 46 Hg 0.86499708765215 0.80284070077503 0.36006421007551 200.590 > 12 47 Hg 0.36499708765215 0.80284070077503 0.86006421007551 200.590 > 12 48 Hg 0.86499708765215 0.80284070077503 0.86006421007551 200.590 > 12 49 Hg 0.36499708765215 0.69715929922497 0.11006421007551 200.590 > 13 50 Hg 0.86499708765215 0.69715929922497 0.11006421007551 200.590 > 13 51 Hg 0.36499708765215 0.69715929922497 0.61006421007551 200.590 > 13 52 Hg 0.86499708765215 0.69715929922497 0.61006421007551 200.590 > 13 53 Hg 0.11499708765215 0.80284070077503 0.38993578992449 200.590 > 14 54 Hg 0.61499708765215 0.80284070077503 0.38993578992449 200.590 > 14 55 Hg 0.11499708765215 0.80284070077503 0.88993578992449 200.590 > 14 56 Hg 0.61499708765215 0.80284070077503 0.88993578992449 200.590 > 14 57 Hg 0.38500291234785 0.30284070077503 0.36006421007551 200.590 > 15 58 Hg 0.88500291234785 0.30284070077503 0.36006421007551 200.590 > 15 59 Hg 0.38500291234785 0.30284070077503 0.86006421007551 200.590 > 15 60 Hg 0.88500291234785 0.30284070077503 0.86006421007551 200.590 > 15 61 Hg 0.13500291234785 0.19715929922497 0.13993578992449 200.590 > 16 62 Hg 0.63500291234785 0.19715929922497 0.13993578992449 200.590 > 16 63 Hg 0.13500291234785 0.19715929922497 0.63993578992449 200.590 > 16 64 Hg 0.63500291234785 0.19715929922497 0.63993578992449 200.590 > 16 *65 Hg 0.25000000000000 0.50000000000000 0.00000000000000 200.590 > 17 66 Hg 0.75000000000000 0.50000000000000 0.00000000000000 200.590 > 17 67 Hg 0.25000000000000 0.50000000000000 0.50000000000000 200.590 > 17 68 Hg 0.75000000000000 0.50000000000000 0.50000000000000 200.590 > 17 69 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 18 70 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 > 18 71 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 18 72 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 > 18 73 Hg 0.00000000000000 0.50000000000000 0.25000000000000 200.590 > 19 74 Hg 0.50000000000000 0.50000000000000 0.25000000000000 200.590 > 19 75 Hg 0.00000000000000 0.50000000000000 0.75000000000000 200.590 > 19 76 Hg 0.50000000000000 0.50000000000000 0.75000000000000 200.590 > 19 77 Hg 0.25000000000000 0.00000000000000 0.25000000000000 200.590 > 20 78 Hg 0.75000000000000 0.00000000000000 0.25000000000000 200.590 > 20 79 Hg 0.25000000000000 0.00000000000000 0.75000000000000 200.590 > 20 80 Hg 0.75000000000000 0.00000000000000 0.75000000000000 200.590 > 20 *81 S 0.36801714524324 0.47991968431460 0.33216876524828 32.065 > 21 82 S 0.86801714524324 0.47991968431460 0.33216876524828 32.065 > 21 83 S 0.36801714524324 0.47991968431460 0.83216876524828 32.065 > 21 84 S 0.86801714524324 0.47991968431460 0.83216876524828 32.065 > 21 85 S 0.11801714524324 0.02008031568540 0.16783123475172 32.065 > 22 86 S 0.61801714524324 0.02008031568540 0.16783123475172 32.065 > 22 87 S 0.11801714524324 0.02008031568540 0.66783123475172 32.065 > 22 88 S 0.61801714524324 0.02008031568540 0.66783123475172 32.065 > 22 89 S 0.38198285475676 0.52008031568540 0.08216876524828 32.065 > 23 90 S 0.88198285475676 0.52008031568540 0.08216876524828 32.065 > 23 91 S 0.38198285475676 0.52008031568540 0.58216876524828 32.065 > 23 92 S 0.88198285475676 0.52008031568540 0.58216876524828 32.065 > 23 93 S 0.13198285475676 0.97991968431460 0.41783123475172 32.065 > 24 94 S 0.63198285475676 0.97991968431460 0.41783123475172 32.065 > 24 95 S 0.13198285475676 0.97991968431460 0.91783123475172 32.065 > 24 96 S 0.63198285475676 0.97991968431460 0.91783123475172 32.065 > 24 97 S 0.13198285475676 0.52008031568540 0.16783123475172 32.065 > 25 98 S 0.63198285475676 0.52008031568540 0.16783123475172 32.065 > 25 99 S 0.13198285475676 0.52008031568540 0.66783123475172 32.065 > 25 100 S 0.63198285475676 0.52008031568540 0.66783123475172 32.065 > 25 101 S 0.38198285475676 0.97991968431460 0.33216876524828 32.065 > 26 102 S 0.88198285475676 0.97991968431460 0.33216876524828 32.065 > 26 103 S 0.38198285475676 0.97991968431460 0.83216876524828 32.065 > 26 104 S 0.88198285475676 0.97991968431460 0.83216876524828 32.065 > 26 105 S 0.11801714524324 0.47991968431460 0.41783123475172 32.065 > 27 106 S 0.61801714524324 0.47991968431460 0.41783123475172 32.065 > 27 107 S 0.11801714524324 0.47991968431460 0.91783123475172 32.065 > 27 108 S 0.61801714524324 0.47991968431460 0.91783123475172 32.065 > 27 109 S 0.36801714524324 0.02008031568540 0.08216876524828 32.065 > 28 110 S 0.86801714524324 0.02008031568540 0.08216876524828 32.065 > 28 111 S 0.36801714524324 0.02008031568540 0.58216876524828 32.065 > 28 112 S 0.86801714524324 0.02008031568540 0.58216876524828 32.065 > 28 *113 S 0.25684264392592 0.72476268008408 0.45263786884238 32.065 > 29 114 S 0.75684264392592 0.72476268008408 0.45263786884238 32.065 > 29 115 S 0.25684264392592 0.72476268008408 0.95263786884238 32.065 > 29 116 S 0.75684264392592 0.72476268008408 0.95263786884238 32.065 > 29 117 S 0.00684264392592 0.77523731991592 0.04736213115762 32.065 > 30 118 S 0.50684264392592 0.77523731991592 0.04736213115762 32.065 > 30 119 S 0.00684264392592 0.77523731991592 0.54736213115762 32.065 > 30 120 S 0.50684264392592 0.77523731991592 0.54736213115762 32.065 > 30 121 S 0.49315735607408 0.27523731991592 0.20263786884238 32.065 > 31 122 S 0.99315735607408 0.27523731991592 0.20263786884238 32.065 > 31 123 S 0.49315735607408 0.27523731991592 0.70263786884238 32.065 > 31 124 S 0.99315735607408 0.27523731991592 0.70263786884238 32.065 > 31 125 S 0.24315735607408 0.22476268008408 0.29736213115762 32.065 > 32 126 S 0.74315735607408 0.22476268008408 0.29736213115762 32.065 > 32 127 S 0.24315735607408 0.22476268008408 0.79736213115762 32.065 > 32 128 S 0.74315735607408 0.22476268008408 0.79736213115762 32.065 > 32 129 S 0.24315735607408 0.27523731991592 0.04736213115762 32.065 > 33 130 S 0.74315735607408 0.27523731991592 0.04736213115762 32.065 > 33 131 S 0.24315735607408 0.27523731991592 0.54736213115762 32.065 > 33 132 S 0.74315735607408 0.27523731991592 0.54736213115762 32.065 > 33 133 S 0.49315735607408 0.22476268008408 0.45263786884238 32.065 > 34 134 S 0.99315735607408 0.22476268008408 0.45263786884238 32.065 > 34 135 S 0.49315735607408 0.22476268008408 0.95263786884238 32.065 > 34 136 S 0.99315735607408 0.22476268008408 0.95263786884238 32.065 > 34 137 S 0.00684264392592 0.72476268008408 0.29736213115762 32.065 > 35 138 S 0.50684264392592 0.72476268008408 0.29736213115762 32.065 > 35 139 S 0.00684264392592 0.72476268008408 0.79736213115762 32.065 > 35 140 S 0.50684264392592 0.72476268008408 0.79736213115762 32.065 > 35 141 S 0.25684264392592 0.77523731991592 0.20263786884238 32.065 > 36 142 S 0.75684264392592 0.77523731991592 0.20263786884238 32.065 > 36 143 S 0.25684264392592 0.77523731991592 0.70263786884238 32.065 > 36 144 S 0.75684264392592 0.77523731991592 0.70263786884238 32.065 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7522735 0.0000000 0.0000000 0.0000000 6.9953263 0.0000000 0.0000000 0.0000000 6.7811075 -------------------------- Born effective charges -------------------------- 1 Na 1.2126386 -0.1766198 0.2143161 -0.1281721 1.2433820 -0.1546996 -0.0663809 -0.0635436 1.1555073 2 Na 1.2126386 0.1766198 -0.2143161 0.1281721 1.2433820 -0.1546996 0.0663809 -0.0635436 1.1555073 3 Na 1.2126386 -0.1766198 -0.2143161 -0.1281721 1.2433820 0.1546996 0.0663809 0.0635436 1.1555073 4 Na 1.2126386 0.1766198 0.2143161 0.1281721 1.2433820 0.1546996 -0.0663809 0.0635436 1.1555073 5 Na 1.2126386 -0.1766198 0.2143161 -0.1281721 1.2433820 -0.1546996 -0.0663809 -0.0635436 1.1555073 6 Na 1.2126386 0.1766198 -0.2143161 0.1281721 1.2433820 -0.1546996 0.0663809 -0.0635436 1.1555073 7 Na 1.2126386 -0.1766198 -0.2143161 -0.1281721 1.2433820 0.1546996 0.0663809 0.0635436 1.1555073 8 Na 1.2126386 0.1766198 0.2143161 0.1281721 1.2433820 0.1546996 -0.0663809 0.0635436 1.1555073 9 Hg 2.6035350 0.5358336 -0.6581699 0.1466196 2.4208476 0.0893483 -0.4062484 0.3473347 1.9092011 10 Hg 2.6035350 -0.5358336 0.6581699 -0.1466196 2.4208476 0.0893483 0.4062484 0.3473347 1.9092011 11 Hg 2.6035350 0.5358336 0.6581699 0.1466196 2.4208476 -0.0893483 0.4062484 -0.3473347 1.9092011 12 Hg 2.6035350 -0.5358336 -0.6581699 -0.1466196 2.4208476 -0.0893483 -0.4062484 -0.3473347 1.9092011 13 Hg 2.6035350 0.5358336 -0.6581699 0.1466196 2.4208476 0.0893483 -0.4062484 0.3473347 1.9092011 14 Hg 2.6035350 -0.5358336 0.6581699 -0.1466196 2.4208476 0.0893483 0.4062484 0.3473347 1.9092011 15 Hg 2.6035350 0.5358336 0.6581699 0.1466196 2.4208476 -0.0893483 0.4062484 -0.3473347 1.9092011 16 Hg 2.6035350 -0.5358336 -0.6581699 -0.1466196 2.4208476 -0.0893483 -0.4062484 -0.3473347 1.9092011 17 Hg 1.8990303 0.0578762 0.2024574 0.7606998 1.6738620 0.4453711 0.5918371 -0.1705125 1.7205960 18 Hg 1.8990303 -0.0578762 -0.2024574 -0.7606998 1.6738620 0.4453711 -0.5918371 -0.1705125 1.7205960 19 Hg 1.8990303 0.0578762 -0.2024574 0.7606998 1.6738620 -0.4453711 -0.5918371 0.1705125 1.7205960 20 Hg 1.8990303 -0.0578762 0.2024574 -0.7606998 1.6738620 -0.4453711 0.5918371 0.1705125 1.7205960 21 S -1.8982260 -0.1108604 0.1830085 -0.1146973 -2.4036592 0.3157531 0.4587316 0.1055341 -1.5880682 22 S -1.8982260 0.1108604 -0.1830085 0.1146973 -2.4036592 0.3157531 -0.4587316 0.1055341 -1.5880682 23 S -1.8982260 -0.1108604 -0.1830085 -0.1146973 -2.4036592 -0.3157531 -0.4587316 -0.1055341 -1.5880682 24 S -1.8982260 0.1108604 0.1830085 0.1146973 -2.4036592 -0.3157531 0.4587316 -0.1055341 -1.5880682 25 S -1.8982260 -0.1108604 0.1830085 -0.1146973 -2.4036592 0.3157531 0.4587316 0.1055341 -1.5880682 26 S -1.8982260 0.1108604 -0.1830085 0.1146973 -2.4036592 0.3157531 -0.4587316 0.1055341 -1.5880682 27 S -1.8982260 -0.1108604 -0.1830085 -0.1146973 -2.4036592 -0.3157531 -0.4587316 -0.1055341 -1.5880682 28 S -1.8982260 0.1108604 0.1830085 0.1146973 -2.4036592 -0.3157531 0.4587316 -0.1055341 -1.5880682 29 S -2.8674628 0.4675981 -0.2754814 0.3504902 -2.0975014 0.5396474 0.0412350 0.5398526 -2.3369383 30 S -2.8674628 -0.4675981 0.2754814 -0.3504902 -2.0975014 0.5396474 -0.0412350 0.5398526 -2.3369383 31 S -2.8674628 0.4675981 0.2754814 0.3504902 -2.0975014 -0.5396474 -0.0412350 -0.5398526 -2.3369383 32 S -2.8674628 -0.4675981 -0.2754814 -0.3504902 -2.0975014 -0.5396474 0.0412350 -0.5398526 -2.3369383 33 S -2.8674628 0.4675981 -0.2754814 0.3504902 -2.0975014 0.5396474 0.0412350 0.5398526 -2.3369383 34 S -2.8674628 -0.4675981 0.2754814 -0.3504902 -2.0975014 0.5396474 -0.0412350 0.5398526 -2.3369383 35 S -2.8674628 0.4675981 0.2754814 0.3504902 -2.0975014 -0.5396474 -0.0412350 -0.5398526 -2.3369383 36 S -2.8674628 -0.4675981 -0.2754814 -0.3504902 -2.0975014 -0.5396474 0.0412350 -0.5398526 -2.3369383 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3033 Number of blocks in projector: 3033 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 650 Use submatrix version of eigh solver. (1) Block: 500 / 650 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 650 / 650 (1) 140 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 650 Use submatrix version of eigh solver. (1) Block: 500 / 650 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 650 / 650 (1) 140 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 650 Use submatrix version of eigh solver. (1) Block: 500 / 650 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 650 / 650 (1) 142 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 361 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 361 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 361 Use standard eigh solver. Tree of FC basis block matrices: - (3033, 2988), data: False |-- (361, 356), data: True |-- (361, 356), data: True |-- (361, 356), data: True |-- (650, 640), data: False |-- (650, 8), data: (650, 18) @ (18, 8) |-- (150, 142), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (650, 640), data: False |-- (650, 10), data: (650, 20) @ (20, 10) |-- (150, 140), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (650, 640), data: False |-- (650, 10), data: (650, 20) @ (20, 10) |-- (150, 140), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 560 - Time: 1.623 Solver_block: 200 / 560 - Time: 1.571 Solver_block: 300 / 560 - Time: 1.576 Solver_block: 400 / 560 - Time: 1.580 Solver_block: 500 / 560 - Time: 1.575 Solver_block: 560 / 560 - Time: 1.024 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.085 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3033 Number of blocks in projector: 3033 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 650 Use submatrix version of eigh solver. (1) Block: 500 / 650 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 650 / 650 (1) 140 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 650 Use submatrix version of eigh solver. (1) Block: 500 / 650 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 650 / 650 (1) 140 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 650 Use submatrix version of eigh solver. (1) Block: 500 / 650 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 650 / 650 (1) 142 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 361 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 361 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 361 Use standard eigh solver. Tree of FC basis block matrices: - (3033, 2988), data: False |-- (361, 356), data: True |-- (361, 356), data: True |-- (361, 356), data: True |-- (650, 640), data: False |-- (650, 8), data: (650, 18) @ (18, 8) |-- (150, 142), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (650, 640), data: False |-- (650, 10), data: (650, 20) @ (20, 10) |-- (150, 140), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (650, 640), data: False |-- (650, 10), data: (650, 20) @ (20, 10) |-- (150, 140), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:40:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:40:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.292228870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.970307370000004 0.000000000000000 c 0.000000000000000 0.000000000000000 8.136280449999999 Atomic positions (fractional): 1 Na 0.43642847771924 0.60699666540515 0.61546939101356 22.990 2 Na 0.93642847771924 0.89300333459485 0.38453060898644 22.990 3 Na 0.06357152228076 0.39300333459485 0.11546939101356 22.990 4 Na 0.56357152228076 0.10699666540515 0.88453060898644 22.990 5 Na 0.56357152228076 0.39300333459485 0.38453060898644 22.990 6 Na 0.06357152228076 0.10699666540515 0.61546939101356 22.990 7 Na 0.93642847771924 0.60699666540515 0.88453060898644 22.990 8 Na 0.43642847771924 0.89300333459485 0.11546939101356 22.990 9 Hg 0.27000582469570 0.30284070077503 0.77987157984898 200.590 10 Hg 0.77000582469570 0.19715929922497 0.22012842015102 200.590 11 Hg 0.22999417530430 0.69715929922497 0.27987157984898 200.590 12 Hg 0.72999417530430 0.80284070077503 0.72012842015102 200.590 13 Hg 0.72999417530430 0.69715929922497 0.22012842015102 200.590 14 Hg 0.22999417530430 0.80284070077503 0.77987157984898 200.590 15 Hg 0.77000582469570 0.30284070077503 0.72012842015102 200.590 16 Hg 0.27000582469570 0.19715929922497 0.27987157984898 200.590 17 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 18 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 19 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 20 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 21 S 0.73603429048648 0.47991968431460 0.66433753049656 32.065 22 S 0.23603429048648 0.02008031568540 0.33566246950344 32.065 23 S 0.76396570951352 0.52008031568540 0.16433753049656 32.065 24 S 0.26396570951352 0.97991968431460 0.83566246950344 32.065 25 S 0.26396570951352 0.52008031568540 0.33566246950344 32.065 26 S 0.76396570951352 0.97991968431460 0.66433753049656 32.065 27 S 0.23603429048648 0.47991968431460 0.83566246950344 32.065 28 S 0.73603429048648 0.02008031568540 0.16433753049656 32.065 29 S 0.51368528785184 0.72476268008408 0.90527573768476 32.065 30 S 0.01368528785184 0.77523731991592 0.09472426231524 32.065 31 S 0.98631471214816 0.27523731991592 0.40527573768476 32.065 32 S 0.48631471214816 0.22476268008408 0.59472426231524 32.065 33 S 0.48631471214816 0.27523731991592 0.09472426231524 32.065 34 S 0.98631471214816 0.22476268008408 0.90527573768476 32.065 35 S 0.01368528785184 0.72476268008408 0.59472426231524 32.065 36 S 0.51368528785184 0.77523731991592 0.40527573768476 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.584457740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.970307370000004 0.000000000000000 c 0.000000000000000 0.000000000000000 16.272560899999998 Atomic positions (fractional): 1 Na 0.21821423885962 0.60699666540515 0.30773469550678 22.990 > 1 2 Na 0.71821423885962 0.60699666540515 0.30773469550678 22.990 > 1 3 Na 0.21821423885962 0.60699666540515 0.80773469550678 22.990 > 1 4 Na 0.71821423885962 0.60699666540515 0.80773469550678 22.990 > 1 5 Na 0.46821423885962 0.89300333459485 0.19226530449322 22.990 > 5 6 Na 0.96821423885962 0.89300333459485 0.19226530449322 22.990 > 5 7 Na 0.46821423885962 0.89300333459485 0.69226530449322 22.990 > 5 8 Na 0.96821423885962 0.89300333459485 0.69226530449322 22.990 > 5 9 Na 0.03178576114038 0.39300333459485 0.05773469550678 22.990 > 9 10 Na 0.53178576114038 0.39300333459485 0.05773469550678 22.990 > 9 11 Na 0.03178576114038 0.39300333459485 0.55773469550678 22.990 > 9 12 Na 0.53178576114038 0.39300333459485 0.55773469550678 22.990 > 9 13 Na 0.28178576114038 0.10699666540515 0.44226530449322 22.990 > 13 14 Na 0.78178576114038 0.10699666540515 0.44226530449322 22.990 > 13 15 Na 0.28178576114038 0.10699666540515 0.94226530449322 22.990 > 13 16 Na 0.78178576114038 0.10699666540515 0.94226530449322 22.990 > 13 17 Na 0.28178576114038 0.39300333459485 0.19226530449322 22.990 > 17 18 Na 0.78178576114038 0.39300333459485 0.19226530449322 22.990 > 17 19 Na 0.28178576114038 0.39300333459485 0.69226530449322 22.990 > 17 20 Na 0.78178576114038 0.39300333459485 0.69226530449322 22.990 > 17 21 Na 0.03178576114038 0.10699666540515 0.30773469550678 22.990 > 21 22 Na 0.53178576114038 0.10699666540515 0.30773469550678 22.990 > 21 23 Na 0.03178576114038 0.10699666540515 0.80773469550678 22.990 > 21 24 Na 0.53178576114038 0.10699666540515 0.80773469550678 22.990 > 21 25 Na 0.46821423885962 0.60699666540515 0.44226530449322 22.990 > 25 26 Na 0.96821423885962 0.60699666540515 0.44226530449322 22.990 > 25 27 Na 0.46821423885962 0.60699666540515 0.94226530449322 22.990 > 25 28 Na 0.96821423885962 0.60699666540515 0.94226530449322 22.990 > 25 29 Na 0.21821423885962 0.89300333459485 0.05773469550678 22.990 > 29 30 Na 0.71821423885962 0.89300333459485 0.05773469550678 22.990 > 29 31 Na 0.21821423885962 0.89300333459485 0.55773469550678 22.990 > 29 32 Na 0.71821423885962 0.89300333459485 0.55773469550678 22.990 > 29 33 Hg 0.13500291234785 0.30284070077503 0.38993578992449 200.590 > 33 34 Hg 0.63500291234785 0.30284070077503 0.38993578992449 200.590 > 33 35 Hg 0.13500291234785 0.30284070077503 0.88993578992449 200.590 > 33 36 Hg 0.63500291234785 0.30284070077503 0.88993578992449 200.590 > 33 37 Hg 0.38500291234785 0.19715929922497 0.11006421007551 200.590 > 37 38 Hg 0.88500291234785 0.19715929922497 0.11006421007551 200.590 > 37 39 Hg 0.38500291234785 0.19715929922497 0.61006421007551 200.590 > 37 40 Hg 0.88500291234785 0.19715929922497 0.61006421007551 200.590 > 37 41 Hg 0.11499708765215 0.69715929922497 0.13993578992449 200.590 > 41 42 Hg 0.61499708765215 0.69715929922497 0.13993578992449 200.590 > 41 43 Hg 0.11499708765215 0.69715929922497 0.63993578992449 200.590 > 41 44 Hg 0.61499708765215 0.69715929922497 0.63993578992449 200.590 > 41 45 Hg 0.36499708765215 0.80284070077503 0.36006421007551 200.590 > 45 46 Hg 0.86499708765215 0.80284070077503 0.36006421007551 200.590 > 45 47 Hg 0.36499708765215 0.80284070077503 0.86006421007551 200.590 > 45 48 Hg 0.86499708765215 0.80284070077503 0.86006421007551 200.590 > 45 49 Hg 0.36499708765215 0.69715929922497 0.11006421007551 200.590 > 49 50 Hg 0.86499708765215 0.69715929922497 0.11006421007551 200.590 > 49 51 Hg 0.36499708765215 0.69715929922497 0.61006421007551 200.590 > 49 52 Hg 0.86499708765215 0.69715929922497 0.61006421007551 200.590 > 49 53 Hg 0.11499708765215 0.80284070077503 0.38993578992449 200.590 > 53 54 Hg 0.61499708765215 0.80284070077503 0.38993578992449 200.590 > 53 55 Hg 0.11499708765215 0.80284070077503 0.88993578992449 200.590 > 53 56 Hg 0.61499708765215 0.80284070077503 0.88993578992449 200.590 > 53 57 Hg 0.38500291234785 0.30284070077503 0.36006421007551 200.590 > 57 58 Hg 0.88500291234785 0.30284070077503 0.36006421007551 200.590 > 57 59 Hg 0.38500291234785 0.30284070077503 0.86006421007551 200.590 > 57 60 Hg 0.88500291234785 0.30284070077503 0.86006421007551 200.590 > 57 61 Hg 0.13500291234785 0.19715929922497 0.13993578992449 200.590 > 61 62 Hg 0.63500291234785 0.19715929922497 0.13993578992449 200.590 > 61 63 Hg 0.13500291234785 0.19715929922497 0.63993578992449 200.590 > 61 64 Hg 0.63500291234785 0.19715929922497 0.63993578992449 200.590 > 61 65 Hg 0.25000000000000 0.50000000000000 0.00000000000000 200.590 > 65 66 Hg 0.75000000000000 0.50000000000000 0.00000000000000 200.590 > 65 67 Hg 0.25000000000000 0.50000000000000 0.50000000000000 200.590 > 65 68 Hg 0.75000000000000 0.50000000000000 0.50000000000000 200.590 > 65 69 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 69 70 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 > 69 71 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 69 72 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 > 69 73 Hg 0.00000000000000 0.50000000000000 0.25000000000000 200.590 > 73 74 Hg 0.50000000000000 0.50000000000000 0.25000000000000 200.590 > 73 75 Hg 0.00000000000000 0.50000000000000 0.75000000000000 200.590 > 73 76 Hg 0.50000000000000 0.50000000000000 0.75000000000000 200.590 > 73 77 Hg 0.25000000000000 0.00000000000000 0.25000000000000 200.590 > 77 78 Hg 0.75000000000000 0.00000000000000 0.25000000000000 200.590 > 77 79 Hg 0.25000000000000 0.00000000000000 0.75000000000000 200.590 > 77 80 Hg 0.75000000000000 0.00000000000000 0.75000000000000 200.590 > 77 81 S 0.36801714524324 0.47991968431460 0.33216876524828 32.065 > 81 82 S 0.86801714524324 0.47991968431460 0.33216876524828 32.065 > 81 83 S 0.36801714524324 0.47991968431460 0.83216876524828 32.065 > 81 84 S 0.86801714524324 0.47991968431460 0.83216876524828 32.065 > 81 85 S 0.11801714524324 0.02008031568540 0.16783123475172 32.065 > 85 86 S 0.61801714524324 0.02008031568540 0.16783123475172 32.065 > 85 87 S 0.11801714524324 0.02008031568540 0.66783123475172 32.065 > 85 88 S 0.61801714524324 0.02008031568540 0.66783123475172 32.065 > 85 89 S 0.38198285475676 0.52008031568540 0.08216876524828 32.065 > 89 90 S 0.88198285475676 0.52008031568540 0.08216876524828 32.065 > 89 91 S 0.38198285475676 0.52008031568540 0.58216876524828 32.065 > 89 92 S 0.88198285475676 0.52008031568540 0.58216876524828 32.065 > 89 93 S 0.13198285475676 0.97991968431460 0.41783123475172 32.065 > 93 94 S 0.63198285475676 0.97991968431460 0.41783123475172 32.065 > 93 95 S 0.13198285475676 0.97991968431460 0.91783123475172 32.065 > 93 96 S 0.63198285475676 0.97991968431460 0.91783123475172 32.065 > 93 97 S 0.13198285475676 0.52008031568540 0.16783123475172 32.065 > 97 98 S 0.63198285475676 0.52008031568540 0.16783123475172 32.065 > 97 99 S 0.13198285475676 0.52008031568540 0.66783123475172 32.065 > 97 100 S 0.63198285475676 0.52008031568540 0.66783123475172 32.065 > 97 101 S 0.38198285475676 0.97991968431460 0.33216876524828 32.065 > 101 102 S 0.88198285475676 0.97991968431460 0.33216876524828 32.065 > 101 103 S 0.38198285475676 0.97991968431460 0.83216876524828 32.065 > 101 104 S 0.88198285475676 0.97991968431460 0.83216876524828 32.065 > 101 105 S 0.11801714524324 0.47991968431460 0.41783123475172 32.065 > 105 106 S 0.61801714524324 0.47991968431460 0.41783123475172 32.065 > 105 107 S 0.11801714524324 0.47991968431460 0.91783123475172 32.065 > 105 108 S 0.61801714524324 0.47991968431460 0.91783123475172 32.065 > 105 109 S 0.36801714524324 0.02008031568540 0.08216876524828 32.065 > 109 110 S 0.86801714524324 0.02008031568540 0.08216876524828 32.065 > 109 111 S 0.36801714524324 0.02008031568540 0.58216876524828 32.065 > 109 112 S 0.86801714524324 0.02008031568540 0.58216876524828 32.065 > 109 113 S 0.25684264392592 0.72476268008408 0.45263786884238 32.065 > 113 114 S 0.75684264392592 0.72476268008408 0.45263786884238 32.065 > 113 115 S 0.25684264392592 0.72476268008408 0.95263786884238 32.065 > 113 116 S 0.75684264392592 0.72476268008408 0.95263786884238 32.065 > 113 117 S 0.00684264392592 0.77523731991592 0.04736213115762 32.065 > 117 118 S 0.50684264392592 0.77523731991592 0.04736213115762 32.065 > 117 119 S 0.00684264392592 0.77523731991592 0.54736213115762 32.065 > 117 120 S 0.50684264392592 0.77523731991592 0.54736213115762 32.065 > 117 121 S 0.49315735607408 0.27523731991592 0.20263786884238 32.065 > 121 122 S 0.99315735607408 0.27523731991592 0.20263786884238 32.065 > 121 123 S 0.49315735607408 0.27523731991592 0.70263786884238 32.065 > 121 124 S 0.99315735607408 0.27523731991592 0.70263786884238 32.065 > 121 125 S 0.24315735607408 0.22476268008408 0.29736213115762 32.065 > 125 126 S 0.74315735607408 0.22476268008408 0.29736213115762 32.065 > 125 127 S 0.24315735607408 0.22476268008408 0.79736213115762 32.065 > 125 128 S 0.74315735607408 0.22476268008408 0.79736213115762 32.065 > 125 129 S 0.24315735607408 0.27523731991592 0.04736213115762 32.065 > 129 130 S 0.74315735607408 0.27523731991592 0.04736213115762 32.065 > 129 131 S 0.24315735607408 0.27523731991592 0.54736213115762 32.065 > 129 132 S 0.74315735607408 0.27523731991592 0.54736213115762 32.065 > 129 133 S 0.49315735607408 0.22476268008408 0.45263786884238 32.065 > 133 134 S 0.99315735607408 0.22476268008408 0.45263786884238 32.065 > 133 135 S 0.49315735607408 0.22476268008408 0.95263786884238 32.065 > 133 136 S 0.99315735607408 0.22476268008408 0.95263786884238 32.065 > 133 137 S 0.00684264392592 0.72476268008408 0.29736213115762 32.065 > 137 138 S 0.50684264392592 0.72476268008408 0.29736213115762 32.065 > 137 139 S 0.00684264392592 0.72476268008408 0.79736213115762 32.065 > 137 140 S 0.50684264392592 0.72476268008408 0.79736213115762 32.065 > 137 141 S 0.25684264392592 0.77523731991592 0.20263786884238 32.065 > 141 142 S 0.75684264392592 0.77523731991592 0.20263786884238 32.065 > 141 143 S 0.25684264392592 0.77523731991592 0.70263786884238 32.065 > 141 144 S 0.75684264392592 0.77523731991592 0.70263786884238 32.065 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7522735 0.0000000 0.0000000 0.0000000 6.9953263 0.0000000 0.0000000 0.0000000 6.7811075 -------------------------- Born effective charges -------------------------- 1 Na 1.2126386 -0.1766198 0.2143161 -0.1281721 1.2433820 -0.1546996 -0.0663809 -0.0635436 1.1555073 2 Na 1.2126386 0.1766198 -0.2143161 0.1281721 1.2433820 -0.1546996 0.0663809 -0.0635436 1.1555073 3 Na 1.2126386 -0.1766198 -0.2143161 -0.1281721 1.2433820 0.1546996 0.0663809 0.0635436 1.1555073 4 Na 1.2126386 0.1766198 0.2143161 0.1281721 1.2433820 0.1546996 -0.0663809 0.0635436 1.1555073 5 Na 1.2126386 -0.1766198 0.2143161 -0.1281721 1.2433820 -0.1546996 -0.0663809 -0.0635436 1.1555073 6 Na 1.2126386 0.1766198 -0.2143161 0.1281721 1.2433820 -0.1546996 0.0663809 -0.0635436 1.1555073 7 Na 1.2126386 -0.1766198 -0.2143161 -0.1281721 1.2433820 0.1546996 0.0663809 0.0635436 1.1555073 8 Na 1.2126386 0.1766198 0.2143161 0.1281721 1.2433820 0.1546996 -0.0663809 0.0635436 1.1555073 9 Hg 2.6035350 0.5358336 -0.6581699 0.1466196 2.4208476 0.0893483 -0.4062484 0.3473347 1.9092011 10 Hg 2.6035350 -0.5358336 0.6581699 -0.1466196 2.4208476 0.0893483 0.4062484 0.3473347 1.9092011 11 Hg 2.6035350 0.5358336 0.6581699 0.1466196 2.4208476 -0.0893483 0.4062484 -0.3473347 1.9092011 12 Hg 2.6035350 -0.5358336 -0.6581699 -0.1466196 2.4208476 -0.0893483 -0.4062484 -0.3473347 1.9092011 13 Hg 2.6035350 0.5358336 -0.6581699 0.1466196 2.4208476 0.0893483 -0.4062484 0.3473347 1.9092011 14 Hg 2.6035350 -0.5358336 0.6581699 -0.1466196 2.4208476 0.0893483 0.4062484 0.3473347 1.9092011 15 Hg 2.6035350 0.5358336 0.6581699 0.1466196 2.4208476 -0.0893483 0.4062484 -0.3473347 1.9092011 16 Hg 2.6035350 -0.5358336 -0.6581699 -0.1466196 2.4208476 -0.0893483 -0.4062484 -0.3473347 1.9092011 17 Hg 1.8990303 0.0578762 0.2024574 0.7606998 1.6738620 0.4453711 0.5918371 -0.1705125 1.7205960 18 Hg 1.8990303 -0.0578762 -0.2024574 -0.7606998 1.6738620 0.4453711 -0.5918371 -0.1705125 1.7205960 19 Hg 1.8990303 0.0578762 -0.2024574 0.7606998 1.6738620 -0.4453711 -0.5918371 0.1705125 1.7205960 20 Hg 1.8990303 -0.0578762 0.2024574 -0.7606998 1.6738620 -0.4453711 0.5918371 0.1705125 1.7205960 21 S -1.8982260 -0.1108604 0.1830085 -0.1146973 -2.4036592 0.3157531 0.4587316 0.1055341 -1.5880682 22 S -1.8982260 0.1108604 -0.1830085 0.1146973 -2.4036592 0.3157531 -0.4587316 0.1055341 -1.5880682 23 S -1.8982260 -0.1108604 -0.1830085 -0.1146973 -2.4036592 -0.3157531 -0.4587316 -0.1055341 -1.5880682 24 S -1.8982260 0.1108604 0.1830085 0.1146973 -2.4036592 -0.3157531 0.4587316 -0.1055341 -1.5880682 25 S -1.8982260 -0.1108604 0.1830085 -0.1146973 -2.4036592 0.3157531 0.4587316 0.1055341 -1.5880682 26 S -1.8982260 0.1108604 -0.1830085 0.1146973 -2.4036592 0.3157531 -0.4587316 0.1055341 -1.5880682 27 S -1.8982260 -0.1108604 -0.1830085 -0.1146973 -2.4036592 -0.3157531 -0.4587316 -0.1055341 -1.5880682 28 S -1.8982260 0.1108604 0.1830085 0.1146973 -2.4036592 -0.3157531 0.4587316 -0.1055341 -1.5880682 29 S -2.8674628 0.4675981 -0.2754814 0.3504902 -2.0975014 0.5396474 0.0412350 0.5398526 -2.3369383 30 S -2.8674628 -0.4675981 0.2754814 -0.3504902 -2.0975014 0.5396474 -0.0412350 0.5398526 -2.3369383 31 S -2.8674628 0.4675981 0.2754814 0.3504902 -2.0975014 -0.5396474 -0.0412350 -0.5398526 -2.3369383 32 S -2.8674628 -0.4675981 -0.2754814 -0.3504902 -2.0975014 -0.5396474 0.0412350 -0.5398526 -2.3369383 33 S -2.8674628 0.4675981 -0.2754814 0.3504902 -2.0975014 0.5396474 0.0412350 0.5398526 -2.3369383 34 S -2.8674628 -0.4675981 0.2754814 -0.3504902 -2.0975014 0.5396474 -0.0412350 0.5398526 -2.3369383 35 S -2.8674628 0.4675981 0.2754814 0.3504902 -2.0975014 -0.5396474 -0.0412350 -0.5398526 -2.3369383 36 S -2.8674628 -0.4675981 -0.2754814 -0.3504902 -2.0975014 -0.5396474 0.0412350 -0.5398526 -2.3369383 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:41:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:41:31]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.292228870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.970307370000004 0.000000000000000 c 0.000000000000000 0.000000000000000 8.136280449999999 Atomic positions (fractional): 1 Na 0.43642847771924 0.60699666540515 0.61546939101356 22.990 2 Na 0.93642847771924 0.89300333459485 0.38453060898644 22.990 3 Na 0.06357152228076 0.39300333459485 0.11546939101356 22.990 4 Na 0.56357152228076 0.10699666540515 0.88453060898644 22.990 5 Na 0.56357152228076 0.39300333459485 0.38453060898644 22.990 6 Na 0.06357152228076 0.10699666540515 0.61546939101356 22.990 7 Na 0.93642847771924 0.60699666540515 0.88453060898644 22.990 8 Na 0.43642847771924 0.89300333459485 0.11546939101356 22.990 9 Hg 0.27000582469570 0.30284070077503 0.77987157984898 200.590 10 Hg 0.77000582469570 0.19715929922497 0.22012842015102 200.590 11 Hg 0.22999417530430 0.69715929922497 0.27987157984898 200.590 12 Hg 0.72999417530430 0.80284070077503 0.72012842015102 200.590 13 Hg 0.72999417530430 0.69715929922497 0.22012842015102 200.590 14 Hg 0.22999417530430 0.80284070077503 0.77987157984898 200.590 15 Hg 0.77000582469570 0.30284070077503 0.72012842015102 200.590 16 Hg 0.27000582469570 0.19715929922497 0.27987157984898 200.590 17 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 18 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 19 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 20 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 21 S 0.73603429048648 0.47991968431460 0.66433753049656 32.065 22 S 0.23603429048648 0.02008031568540 0.33566246950344 32.065 23 S 0.76396570951352 0.52008031568540 0.16433753049656 32.065 24 S 0.26396570951352 0.97991968431460 0.83566246950344 32.065 25 S 0.26396570951352 0.52008031568540 0.33566246950344 32.065 26 S 0.76396570951352 0.97991968431460 0.66433753049656 32.065 27 S 0.23603429048648 0.47991968431460 0.83566246950344 32.065 28 S 0.73603429048648 0.02008031568540 0.16433753049656 32.065 29 S 0.51368528785184 0.72476268008408 0.90527573768476 32.065 30 S 0.01368528785184 0.77523731991592 0.09472426231524 32.065 31 S 0.98631471214816 0.27523731991592 0.40527573768476 32.065 32 S 0.48631471214816 0.22476268008408 0.59472426231524 32.065 33 S 0.48631471214816 0.27523731991592 0.09472426231524 32.065 34 S 0.98631471214816 0.22476268008408 0.90527573768476 32.065 35 S 0.01368528785184 0.72476268008408 0.59472426231524 32.065 36 S 0.51368528785184 0.77523731991592 0.40527573768476 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.584457740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.970307370000004 0.000000000000000 c 0.000000000000000 0.000000000000000 16.272560899999998 Atomic positions (fractional): 1 Na 0.21821423885962 0.60699666540515 0.30773469550678 22.990 > 1 2 Na 0.71821423885962 0.60699666540515 0.30773469550678 22.990 > 1 3 Na 0.21821423885962 0.60699666540515 0.80773469550678 22.990 > 1 4 Na 0.71821423885962 0.60699666540515 0.80773469550678 22.990 > 1 5 Na 0.46821423885962 0.89300333459485 0.19226530449322 22.990 > 5 6 Na 0.96821423885962 0.89300333459485 0.19226530449322 22.990 > 5 7 Na 0.46821423885962 0.89300333459485 0.69226530449322 22.990 > 5 8 Na 0.96821423885962 0.89300333459485 0.69226530449322 22.990 > 5 9 Na 0.03178576114038 0.39300333459485 0.05773469550678 22.990 > 9 10 Na 0.53178576114038 0.39300333459485 0.05773469550678 22.990 > 9 11 Na 0.03178576114038 0.39300333459485 0.55773469550678 22.990 > 9 12 Na 0.53178576114038 0.39300333459485 0.55773469550678 22.990 > 9 13 Na 0.28178576114038 0.10699666540515 0.44226530449322 22.990 > 13 14 Na 0.78178576114038 0.10699666540515 0.44226530449322 22.990 > 13 15 Na 0.28178576114038 0.10699666540515 0.94226530449322 22.990 > 13 16 Na 0.78178576114038 0.10699666540515 0.94226530449322 22.990 > 13 17 Na 0.28178576114038 0.39300333459485 0.19226530449322 22.990 > 17 18 Na 0.78178576114038 0.39300333459485 0.19226530449322 22.990 > 17 19 Na 0.28178576114038 0.39300333459485 0.69226530449322 22.990 > 17 20 Na 0.78178576114038 0.39300333459485 0.69226530449322 22.990 > 17 21 Na 0.03178576114038 0.10699666540515 0.30773469550678 22.990 > 21 22 Na 0.53178576114038 0.10699666540515 0.30773469550678 22.990 > 21 23 Na 0.03178576114038 0.10699666540515 0.80773469550678 22.990 > 21 24 Na 0.53178576114038 0.10699666540515 0.80773469550678 22.990 > 21 25 Na 0.46821423885962 0.60699666540515 0.44226530449322 22.990 > 25 26 Na 0.96821423885962 0.60699666540515 0.44226530449322 22.990 > 25 27 Na 0.46821423885962 0.60699666540515 0.94226530449322 22.990 > 25 28 Na 0.96821423885962 0.60699666540515 0.94226530449322 22.990 > 25 29 Na 0.21821423885962 0.89300333459485 0.05773469550678 22.990 > 29 30 Na 0.71821423885962 0.89300333459485 0.05773469550678 22.990 > 29 31 Na 0.21821423885962 0.89300333459485 0.55773469550678 22.990 > 29 32 Na 0.71821423885962 0.89300333459485 0.55773469550678 22.990 > 29 33 Hg 0.13500291234785 0.30284070077503 0.38993578992449 200.590 > 33 34 Hg 0.63500291234785 0.30284070077503 0.38993578992449 200.590 > 33 35 Hg 0.13500291234785 0.30284070077503 0.88993578992449 200.590 > 33 36 Hg 0.63500291234785 0.30284070077503 0.88993578992449 200.590 > 33 37 Hg 0.38500291234785 0.19715929922497 0.11006421007551 200.590 > 37 38 Hg 0.88500291234785 0.19715929922497 0.11006421007551 200.590 > 37 39 Hg 0.38500291234785 0.19715929922497 0.61006421007551 200.590 > 37 40 Hg 0.88500291234785 0.19715929922497 0.61006421007551 200.590 > 37 41 Hg 0.11499708765215 0.69715929922497 0.13993578992449 200.590 > 41 42 Hg 0.61499708765215 0.69715929922497 0.13993578992449 200.590 > 41 43 Hg 0.11499708765215 0.69715929922497 0.63993578992449 200.590 > 41 44 Hg 0.61499708765215 0.69715929922497 0.63993578992449 200.590 > 41 45 Hg 0.36499708765215 0.80284070077503 0.36006421007551 200.590 > 45 46 Hg 0.86499708765215 0.80284070077503 0.36006421007551 200.590 > 45 47 Hg 0.36499708765215 0.80284070077503 0.86006421007551 200.590 > 45 48 Hg 0.86499708765215 0.80284070077503 0.86006421007551 200.590 > 45 49 Hg 0.36499708765215 0.69715929922497 0.11006421007551 200.590 > 49 50 Hg 0.86499708765215 0.69715929922497 0.11006421007551 200.590 > 49 51 Hg 0.36499708765215 0.69715929922497 0.61006421007551 200.590 > 49 52 Hg 0.86499708765215 0.69715929922497 0.61006421007551 200.590 > 49 53 Hg 0.11499708765215 0.80284070077503 0.38993578992449 200.590 > 53 54 Hg 0.61499708765215 0.80284070077503 0.38993578992449 200.590 > 53 55 Hg 0.11499708765215 0.80284070077503 0.88993578992449 200.590 > 53 56 Hg 0.61499708765215 0.80284070077503 0.88993578992449 200.590 > 53 57 Hg 0.38500291234785 0.30284070077503 0.36006421007551 200.590 > 57 58 Hg 0.88500291234785 0.30284070077503 0.36006421007551 200.590 > 57 59 Hg 0.38500291234785 0.30284070077503 0.86006421007551 200.590 > 57 60 Hg 0.88500291234785 0.30284070077503 0.86006421007551 200.590 > 57 61 Hg 0.13500291234785 0.19715929922497 0.13993578992449 200.590 > 61 62 Hg 0.63500291234785 0.19715929922497 0.13993578992449 200.590 > 61 63 Hg 0.13500291234785 0.19715929922497 0.63993578992449 200.590 > 61 64 Hg 0.63500291234785 0.19715929922497 0.63993578992449 200.590 > 61 65 Hg 0.25000000000000 0.50000000000000 0.00000000000000 200.590 > 65 66 Hg 0.75000000000000 0.50000000000000 0.00000000000000 200.590 > 65 67 Hg 0.25000000000000 0.50000000000000 0.50000000000000 200.590 > 65 68 Hg 0.75000000000000 0.50000000000000 0.50000000000000 200.590 > 65 69 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 69 70 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 > 69 71 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 69 72 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 > 69 73 Hg 0.00000000000000 0.50000000000000 0.25000000000000 200.590 > 73 74 Hg 0.50000000000000 0.50000000000000 0.25000000000000 200.590 > 73 75 Hg 0.00000000000000 0.50000000000000 0.75000000000000 200.590 > 73 76 Hg 0.50000000000000 0.50000000000000 0.75000000000000 200.590 > 73 77 Hg 0.25000000000000 0.00000000000000 0.25000000000000 200.590 > 77 78 Hg 0.75000000000000 0.00000000000000 0.25000000000000 200.590 > 77 79 Hg 0.25000000000000 0.00000000000000 0.75000000000000 200.590 > 77 80 Hg 0.75000000000000 0.00000000000000 0.75000000000000 200.590 > 77 81 S 0.36801714524324 0.47991968431460 0.33216876524828 32.065 > 81 82 S 0.86801714524324 0.47991968431460 0.33216876524828 32.065 > 81 83 S 0.36801714524324 0.47991968431460 0.83216876524828 32.065 > 81 84 S 0.86801714524324 0.47991968431460 0.83216876524828 32.065 > 81 85 S 0.11801714524324 0.02008031568540 0.16783123475172 32.065 > 85 86 S 0.61801714524324 0.02008031568540 0.16783123475172 32.065 > 85 87 S 0.11801714524324 0.02008031568540 0.66783123475172 32.065 > 85 88 S 0.61801714524324 0.02008031568540 0.66783123475172 32.065 > 85 89 S 0.38198285475676 0.52008031568540 0.08216876524828 32.065 > 89 90 S 0.88198285475676 0.52008031568540 0.08216876524828 32.065 > 89 91 S 0.38198285475676 0.52008031568540 0.58216876524828 32.065 > 89 92 S 0.88198285475676 0.52008031568540 0.58216876524828 32.065 > 89 93 S 0.13198285475676 0.97991968431460 0.41783123475172 32.065 > 93 94 S 0.63198285475676 0.97991968431460 0.41783123475172 32.065 > 93 95 S 0.13198285475676 0.97991968431460 0.91783123475172 32.065 > 93 96 S 0.63198285475676 0.97991968431460 0.91783123475172 32.065 > 93 97 S 0.13198285475676 0.52008031568540 0.16783123475172 32.065 > 97 98 S 0.63198285475676 0.52008031568540 0.16783123475172 32.065 > 97 99 S 0.13198285475676 0.52008031568540 0.66783123475172 32.065 > 97 100 S 0.63198285475676 0.52008031568540 0.66783123475172 32.065 > 97 101 S 0.38198285475676 0.97991968431460 0.33216876524828 32.065 > 101 102 S 0.88198285475676 0.97991968431460 0.33216876524828 32.065 > 101 103 S 0.38198285475676 0.97991968431460 0.83216876524828 32.065 > 101 104 S 0.88198285475676 0.97991968431460 0.83216876524828 32.065 > 101 105 S 0.11801714524324 0.47991968431460 0.41783123475172 32.065 > 105 106 S 0.61801714524324 0.47991968431460 0.41783123475172 32.065 > 105 107 S 0.11801714524324 0.47991968431460 0.91783123475172 32.065 > 105 108 S 0.61801714524324 0.47991968431460 0.91783123475172 32.065 > 105 109 S 0.36801714524324 0.02008031568540 0.08216876524828 32.065 > 109 110 S 0.86801714524324 0.02008031568540 0.08216876524828 32.065 > 109 111 S 0.36801714524324 0.02008031568540 0.58216876524828 32.065 > 109 112 S 0.86801714524324 0.02008031568540 0.58216876524828 32.065 > 109 113 S 0.25684264392592 0.72476268008408 0.45263786884238 32.065 > 113 114 S 0.75684264392592 0.72476268008408 0.45263786884238 32.065 > 113 115 S 0.25684264392592 0.72476268008408 0.95263786884238 32.065 > 113 116 S 0.75684264392592 0.72476268008408 0.95263786884238 32.065 > 113 117 S 0.00684264392592 0.77523731991592 0.04736213115762 32.065 > 117 118 S 0.50684264392592 0.77523731991592 0.04736213115762 32.065 > 117 119 S 0.00684264392592 0.77523731991592 0.54736213115762 32.065 > 117 120 S 0.50684264392592 0.77523731991592 0.54736213115762 32.065 > 117 121 S 0.49315735607408 0.27523731991592 0.20263786884238 32.065 > 121 122 S 0.99315735607408 0.27523731991592 0.20263786884238 32.065 > 121 123 S 0.49315735607408 0.27523731991592 0.70263786884238 32.065 > 121 124 S 0.99315735607408 0.27523731991592 0.70263786884238 32.065 > 121 125 S 0.24315735607408 0.22476268008408 0.29736213115762 32.065 > 125 126 S 0.74315735607408 0.22476268008408 0.29736213115762 32.065 > 125 127 S 0.24315735607408 0.22476268008408 0.79736213115762 32.065 > 125 128 S 0.74315735607408 0.22476268008408 0.79736213115762 32.065 > 125 129 S 0.24315735607408 0.27523731991592 0.04736213115762 32.065 > 129 130 S 0.74315735607408 0.27523731991592 0.04736213115762 32.065 > 129 131 S 0.24315735607408 0.27523731991592 0.54736213115762 32.065 > 129 132 S 0.74315735607408 0.27523731991592 0.54736213115762 32.065 > 129 133 S 0.49315735607408 0.22476268008408 0.45263786884238 32.065 > 133 134 S 0.99315735607408 0.22476268008408 0.45263786884238 32.065 > 133 135 S 0.49315735607408 0.22476268008408 0.95263786884238 32.065 > 133 136 S 0.99315735607408 0.22476268008408 0.95263786884238 32.065 > 133 137 S 0.00684264392592 0.72476268008408 0.29736213115762 32.065 > 137 138 S 0.50684264392592 0.72476268008408 0.29736213115762 32.065 > 137 139 S 0.00684264392592 0.72476268008408 0.79736213115762 32.065 > 137 140 S 0.50684264392592 0.72476268008408 0.79736213115762 32.065 > 137 141 S 0.25684264392592 0.77523731991592 0.20263786884238 32.065 > 141 142 S 0.75684264392592 0.77523731991592 0.20263786884238 32.065 > 141 143 S 0.25684264392592 0.77523731991592 0.70263786884238 32.065 > 141 144 S 0.75684264392592 0.77523731991592 0.70263786884238 32.065 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.7522735 0.0000000 0.0000000 0.0000000 6.9953263 0.0000000 0.0000000 0.0000000 6.7811075 -------------------------- Born effective charges -------------------------- 1 Na 1.2126386 -0.1766198 0.2143161 -0.1281721 1.2433820 -0.1546996 -0.0663809 -0.0635436 1.1555073 2 Na 1.2126386 0.1766198 -0.2143161 0.1281721 1.2433820 -0.1546996 0.0663809 -0.0635436 1.1555073 3 Na 1.2126386 -0.1766198 -0.2143161 -0.1281721 1.2433820 0.1546996 0.0663809 0.0635436 1.1555073 4 Na 1.2126386 0.1766198 0.2143161 0.1281721 1.2433820 0.1546996 -0.0663809 0.0635436 1.1555073 5 Na 1.2126386 -0.1766198 0.2143161 -0.1281721 1.2433820 -0.1546996 -0.0663809 -0.0635436 1.1555073 6 Na 1.2126386 0.1766198 -0.2143161 0.1281721 1.2433820 -0.1546996 0.0663809 -0.0635436 1.1555073 7 Na 1.2126386 -0.1766198 -0.2143161 -0.1281721 1.2433820 0.1546996 0.0663809 0.0635436 1.1555073 8 Na 1.2126386 0.1766198 0.2143161 0.1281721 1.2433820 0.1546996 -0.0663809 0.0635436 1.1555073 9 Hg 2.6035350 0.5358336 -0.6581699 0.1466196 2.4208476 0.0893483 -0.4062484 0.3473347 1.9092011 10 Hg 2.6035350 -0.5358336 0.6581699 -0.1466196 2.4208476 0.0893483 0.4062484 0.3473347 1.9092011 11 Hg 2.6035350 0.5358336 0.6581699 0.1466196 2.4208476 -0.0893483 0.4062484 -0.3473347 1.9092011 12 Hg 2.6035350 -0.5358336 -0.6581699 -0.1466196 2.4208476 -0.0893483 -0.4062484 -0.3473347 1.9092011 13 Hg 2.6035350 0.5358336 -0.6581699 0.1466196 2.4208476 0.0893483 -0.4062484 0.3473347 1.9092011 14 Hg 2.6035350 -0.5358336 0.6581699 -0.1466196 2.4208476 0.0893483 0.4062484 0.3473347 1.9092011 15 Hg 2.6035350 0.5358336 0.6581699 0.1466196 2.4208476 -0.0893483 0.4062484 -0.3473347 1.9092011 16 Hg 2.6035350 -0.5358336 -0.6581699 -0.1466196 2.4208476 -0.0893483 -0.4062484 -0.3473347 1.9092011 17 Hg 1.8990303 0.0578762 0.2024574 0.7606998 1.6738620 0.4453711 0.5918371 -0.1705125 1.7205960 18 Hg 1.8990303 -0.0578762 -0.2024574 -0.7606998 1.6738620 0.4453711 -0.5918371 -0.1705125 1.7205960 19 Hg 1.8990303 0.0578762 -0.2024574 0.7606998 1.6738620 -0.4453711 -0.5918371 0.1705125 1.7205960 20 Hg 1.8990303 -0.0578762 0.2024574 -0.7606998 1.6738620 -0.4453711 0.5918371 0.1705125 1.7205960 21 S -1.8982260 -0.1108604 0.1830085 -0.1146973 -2.4036592 0.3157531 0.4587316 0.1055341 -1.5880682 22 S -1.8982260 0.1108604 -0.1830085 0.1146973 -2.4036592 0.3157531 -0.4587316 0.1055341 -1.5880682 23 S -1.8982260 -0.1108604 -0.1830085 -0.1146973 -2.4036592 -0.3157531 -0.4587316 -0.1055341 -1.5880682 24 S -1.8982260 0.1108604 0.1830085 0.1146973 -2.4036592 -0.3157531 0.4587316 -0.1055341 -1.5880682 25 S -1.8982260 -0.1108604 0.1830085 -0.1146973 -2.4036592 0.3157531 0.4587316 0.1055341 -1.5880682 26 S -1.8982260 0.1108604 -0.1830085 0.1146973 -2.4036592 0.3157531 -0.4587316 0.1055341 -1.5880682 27 S -1.8982260 -0.1108604 -0.1830085 -0.1146973 -2.4036592 -0.3157531 -0.4587316 -0.1055341 -1.5880682 28 S -1.8982260 0.1108604 0.1830085 0.1146973 -2.4036592 -0.3157531 0.4587316 -0.1055341 -1.5880682 29 S -2.8674628 0.4675981 -0.2754814 0.3504902 -2.0975014 0.5396474 0.0412350 0.5398526 -2.3369383 30 S -2.8674628 -0.4675981 0.2754814 -0.3504902 -2.0975014 0.5396474 -0.0412350 0.5398526 -2.3369383 31 S -2.8674628 0.4675981 0.2754814 0.3504902 -2.0975014 -0.5396474 -0.0412350 -0.5398526 -2.3369383 32 S -2.8674628 -0.4675981 -0.2754814 -0.3504902 -2.0975014 -0.5396474 0.0412350 -0.5398526 -2.3369383 33 S -2.8674628 0.4675981 -0.2754814 0.3504902 -2.0975014 0.5396474 0.0412350 0.5398526 -2.3369383 34 S -2.8674628 -0.4675981 0.2754814 -0.3504902 -2.0975014 0.5396474 -0.0412350 0.5398526 -2.3369383 35 S -2.8674628 0.4675981 0.2754814 0.3504902 -2.0975014 -0.5396474 -0.0412350 -0.5398526 -2.3369383 36 S -2.8674628 -0.4675981 -0.2754814 -0.3504902 -2.0975014 -0.5396474 0.0412350 -0.5398526 -2.3369383 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 4 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 297, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.205 ( 0.000 0.000 0.000) 0.000 0.505 ( 0.000 0.000 0.000) 0.000 0.756 ( 0.000 0.000 0.000) 0.000 0.763 ( 0.000 0.000 0.000) 0.000 0.773 ( 0.000 0.000 0.000) 0.000 0.808 ( 0.000 0.000 0.000) 0.000 0.845 ( 0.000 0.000 0.000) 0.000 0.848 ( 0.000 0.000 0.000) 0.000 0.904 ( 0.000 0.000 0.000) 0.000 0.936 ( 0.000 0.000 0.000) 0.000 0.939 ( 0.000 0.000 0.000) 0.000 1.053 ( 0.000 0.000 0.000) 0.000 1.054 ( 0.000 0.000 0.000) 0.000 1.123 ( 0.000 0.000 0.000) 0.000 1.126 ( 0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.221 ( 0.000 0.000 0.000) 0.000 1.236 ( 0.000 0.000 0.000) 0.000 1.313 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 0.000) 0.000 1.401 ( 0.000 0.000 0.000) 0.000 1.433 ( 0.000 0.000 0.000) 0.000 1.443 ( 0.000 0.000 0.000) 0.000 1.754 ( 0.000 0.000 0.000) 0.000 1.758 ( 0.000 0.000 0.000) 0.000 1.827 ( 0.000 0.000 0.000) 0.000 1.884 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 0.000) 0.000 2.418 ( 0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.843 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 4.019 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 4.978 ( 0.000 0.000 0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.419 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 5.514 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 5.561 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 6.264 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.845 ( 0.000 0.000 0.000) 0.000 6.882 ( 0.000 0.000 0.000) 0.000 7.081 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.324 ( 0.000 0.000 0.000) 0.000 7.518 ( 0.000 0.000 0.000) 0.000 7.539 ( 0.000 0.000 0.000) 0.000 7.567 ( 0.000 0.000 0.000) 0.000 7.657 ( 0.000 0.000 0.000) 0.000 7.670 ( 0.000 0.000 0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 7.817 ( 0.000 0.000 0.000) 0.000 7.897 ( 0.000 0.000 0.000) 0.000 8.325 ( 0.000 0.000 0.000) 0.000 8.373 ( 0.000 0.000 0.000) 0.000 8.390 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 0.000 0.000) 0.000 8.403 ( 0.000 0.000 0.000) 0.000 8.537 ( 0.000 0.000 0.000) 0.000 8.588 ( 0.000 0.000 0.000) 0.000 8.808 ( 0.000 0.000 0.000) 0.000 8.860 ( 0.000 0.000 0.000) 0.000 9.614 ( 0.000 0.000 0.000) 0.000 9.652 ( 0.000 0.000 0.000) 0.000 10.256 ( 0.000 0.000 0.000) 0.000 10.262 ( 0.000 0.000 0.000) 0.000 10.299 ( 0.000 0.000 0.000) 0.000 10.327 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( 13.691 0.000 0.000) 13.691 0.290 ( 7.757 0.000 0.000) 7.757 0.294 ( 13.187 0.000 0.000) 13.187 0.459 ( -2.288 0.000 0.000) 2.288 0.546 ( 26.583 0.000 0.000) 26.583 0.796 ( 1.321 0.000 0.000) 1.321 0.823 ( 1.019 0.000 0.000) 1.019 0.832 ( 4.984 0.000 0.000) 4.984 0.862 ( 3.111 0.000 0.000) 3.111 0.885 ( 3.879 0.000 0.000) 3.879 0.899 ( 2.935 0.000 0.000) 2.935 0.971 ( 2.790 0.000 0.000) 2.790 0.984 ( 7.510 0.000 0.000) 7.510 0.990 ( -2.953 0.000 0.000) 2.953 0.991 ( 6.163 0.000 0.000) 6.163 1.033 ( -2.067 0.000 0.000) 2.067 1.131 ( 0.352 0.000 0.000) 0.352 1.171 ( 0.452 0.000 0.000) 0.452 1.184 ( -4.026 0.000 0.000) 4.026 1.211 ( 5.203 0.000 0.000) 5.203 1.235 ( 3.563 0.000 0.000) 3.563 1.255 ( 0.952 0.000 0.000) 0.952 1.256 ( -4.178 0.000 0.000) 4.178 1.361 ( 4.212 0.000 0.000) 4.212 1.393 ( -0.745 0.000 0.000) 0.745 1.444 ( 0.679 0.000 0.000) 0.679 1.470 ( 0.676 0.000 0.000) 0.676 1.625 ( -8.344 0.000 0.000) 8.344 1.787 ( 1.285 0.000 0.000) 1.285 1.837 ( 0.795 0.000 0.000) 0.795 1.958 ( 1.399 0.000 0.000) 1.399 1.990 ( -2.790 0.000 0.000) 2.790 2.013 ( 8.894 0.000 0.000) 8.894 2.041 ( -1.039 0.000 0.000) 1.039 2.117 ( -3.210 0.000 0.000) 3.210 2.214 ( -2.166 0.000 0.000) 2.166 2.429 ( 0.623 0.000 0.000) 0.623 2.436 ( -7.109 0.000 0.000) 7.109 2.739 ( 7.597 0.000 0.000) 7.597 2.793 ( -7.259 0.000 0.000) 7.259 2.817 ( -6.189 0.000 0.000) 6.189 3.044 ( -2.636 0.000 0.000) 2.636 3.068 ( 0.776 0.000 0.000) 0.776 3.205 ( 3.232 0.000 0.000) 3.232 3.236 ( -0.847 0.000 0.000) 0.847 3.262 ( -2.462 0.000 0.000) 2.462 3.354 ( -4.745 0.000 0.000) 4.745 3.393 ( 1.673 0.000 0.000) 1.673 3.489 ( 5.377 0.000 0.000) 5.377 3.517 ( -0.381 0.000 0.000) 0.381 3.518 ( -7.284 0.000 0.000) 7.284 3.779 ( -1.355 0.000 0.000) 1.355 3.807 ( 3.046 0.000 0.000) 3.046 3.852 ( 0.847 0.000 0.000) 0.847 3.979 ( -2.087 0.000 0.000) 2.087 4.048 ( 0.133 0.000 0.000) 0.133 4.065 ( -0.188 0.000 0.000) 0.188 4.096 ( -1.340 0.000 0.000) 1.340 4.352 ( 2.070 0.000 0.000) 2.070 4.558 ( 1.808 0.000 0.000) 1.808 4.686 ( 2.801 0.000 0.000) 2.801 4.799 ( 0.740 0.000 0.000) 0.740 4.809 ( -0.535 0.000 0.000) 0.535 4.818 ( -6.352 0.000 0.000) 6.352 4.931 ( -1.333 0.000 0.000) 1.333 4.936 ( -4.204 0.000 0.000) 4.204 5.005 ( -1.290 0.000 0.000) 1.290 5.041 ( -1.033 0.000 0.000) 1.033 5.299 ( 8.588 0.000 0.000) 8.588 5.381 ( -2.467 0.000 0.000) 2.467 5.473 ( 1.242 0.000 0.000) 1.242 5.531 ( 1.590 0.000 0.000) 1.590 5.554 ( -2.771 0.000 0.000) 2.771 5.572 ( 2.046 0.000 0.000) 2.046 5.575 ( -1.378 0.000 0.000) 1.378 5.683 ( 8.976 0.000 0.000) 8.976 5.781 ( -5.551 0.000 0.000) 5.551 6.219 ( -2.423 0.000 0.000) 2.423 6.566 ( 2.621 0.000 0.000) 2.621 6.670 ( -0.292 0.000 0.000) 0.292 6.813 ( -2.381 0.000 0.000) 2.381 6.879 ( -1.343 0.000 0.000) 1.343 6.978 ( -8.541 0.000 0.000) 8.541 7.069 ( -5.932 0.000 0.000) 5.932 7.386 ( 5.033 0.000 0.000) 5.033 7.535 ( -0.347 0.000 0.000) 0.347 7.538 ( 1.690 0.000 0.000) 1.690 7.556 ( -1.048 0.000 0.000) 1.048 7.687 ( 2.597 0.000 0.000) 2.597 7.738 ( -2.414 0.000 0.000) 2.414 7.795 ( -1.959 0.000 0.000) 1.959 7.874 ( -2.221 0.000 0.000) 2.221 7.940 ( 4.553 0.000 0.000) 4.553 8.338 ( 1.000 0.000 0.000) 1.000 8.353 ( -2.286 0.000 0.000) 2.286 8.407 ( 1.575 0.000 0.000) 1.575 8.433 ( 0.755 0.000 0.000) 0.755 8.477 ( -2.745 0.000 0.000) 2.745 8.517 ( -2.028 0.000 0.000) 2.028 8.562 ( -2.448 0.000 0.000) 2.448 8.844 ( 3.584 0.000 0.000) 3.584 8.894 ( 3.478 0.000 0.000) 3.478 9.573 ( -4.209 0.000 0.000) 4.209 9.607 ( -4.505 0.000 0.000) 4.505 10.280 ( 2.357 0.000 0.000) 2.357 10.288 ( 2.568 0.000 0.000) 2.568 10.356 ( 2.536 0.000 0.000) 2.536 10.550 ( -0.475 0.000 0.000) 0.475 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 4.384 0.000 0.000) 4.384 0.477 ( 10.741 0.000 0.000) 10.741 0.532 ( 12.076 0.000 0.000) 12.076 0.566 ( 9.862 0.000 0.000) 9.862 0.816 ( -0.889 0.000 0.000) 0.889 0.821 ( 1.464 0.000 0.000) 1.464 0.863 ( 0.004 0.000 0.000) 0.004 0.899 ( -2.301 0.000 0.000) 2.301 0.919 ( 1.815 0.000 0.000) 1.815 0.946 ( 2.411 0.000 0.000) 2.411 0.962 ( -4.360 0.000 0.000) 4.360 0.977 ( 3.083 0.000 0.000) 3.083 1.027 ( 1.355 0.000 0.000) 1.355 1.055 ( 20.602 0.000 0.000) 20.602 1.097 ( -3.335 0.000 0.000) 3.335 1.110 ( 3.730 0.000 0.000) 3.730 1.138 ( 0.873 0.000 0.000) 0.873 1.138 ( 6.082 0.000 0.000) 6.082 1.197 ( -2.357 0.000 0.000) 2.357 1.230 ( 1.912 0.000 0.000) 1.912 1.290 ( 2.794 0.000 0.000) 2.794 1.308 ( -1.544 0.000 0.000) 1.544 1.330 ( 8.381 0.000 0.000) 8.381 1.376 ( -0.795 0.000 0.000) 0.795 1.419 ( 1.081 0.000 0.000) 1.081 1.446 ( -3.119 0.000 0.000) 3.119 1.456 ( 5.991 0.000 0.000) 5.991 1.540 ( 0.779 0.000 0.000) 0.779 1.750 ( -4.687 0.000 0.000) 4.687 1.837 ( -1.645 0.000 0.000) 1.645 1.892 ( -7.282 0.000 0.000) 7.282 2.011 ( 4.064 0.000 0.000) 4.064 2.018 ( -6.848 0.000 0.000) 6.848 2.076 ( 4.238 0.000 0.000) 4.238 2.165 ( -2.537 0.000 0.000) 2.537 2.183 ( 6.982 0.000 0.000) 6.982 2.322 ( -3.095 0.000 0.000) 3.095 2.425 ( -1.060 0.000 0.000) 1.060 2.630 ( -8.507 0.000 0.000) 8.507 2.661 ( -8.624 0.000 0.000) 8.624 2.883 ( 6.918 0.000 0.000) 6.918 2.991 ( -2.194 0.000 0.000) 2.194 3.057 ( -1.721 0.000 0.000) 1.721 3.215 ( -2.504 0.000 0.000) 2.504 3.267 ( 2.795 0.000 0.000) 2.795 3.271 ( 3.036 0.000 0.000) 3.036 3.285 ( -1.337 0.000 0.000) 1.337 3.376 ( -6.734 0.000 0.000) 6.734 3.440 ( 2.912 0.000 0.000) 2.912 3.463 ( -4.676 0.000 0.000) 4.676 3.548 ( 0.545 0.000 0.000) 0.545 3.726 ( -9.046 0.000 0.000) 9.046 3.782 ( 2.032 0.000 0.000) 2.032 3.869 ( 0.657 0.000 0.000) 0.657 4.020 ( 4.217 0.000 0.000) 4.217 4.056 ( -0.782 0.000 0.000) 0.782 4.063 ( -1.786 0.000 0.000) 1.786 4.067 ( 1.719 0.000 0.000) 1.719 4.407 ( 3.522 0.000 0.000) 3.522 4.610 ( 3.294 0.000 0.000) 3.294 4.696 ( -5.839 0.000 0.000) 5.839 4.738 ( 1.587 0.000 0.000) 1.587 4.794 ( -0.952 0.000 0.000) 0.952 4.806 ( -0.046 0.000 0.000) 0.046 4.840 ( -4.274 0.000 0.000) 4.274 4.882 ( -3.609 0.000 0.000) 3.609 4.982 ( -0.826 0.000 0.000) 0.826 5.020 ( -1.144 0.000 0.000) 1.144 5.337 ( -1.912 0.000 0.000) 1.912 5.406 ( 3.032 0.000 0.000) 3.032 5.468 ( -5.887 0.000 0.000) 5.887 5.493 ( 0.988 0.000 0.000) 0.988 5.540 ( -1.979 0.000 0.000) 1.979 5.573 ( 2.460 0.000 0.000) 2.460 5.624 ( 2.356 0.000 0.000) 2.356 5.662 ( -5.545 0.000 0.000) 5.545 5.974 ( 18.949 0.000 0.000) 18.949 6.224 ( 3.307 0.000 0.000) 3.307 6.611 ( 2.193 0.000 0.000) 2.193 6.673 ( 0.714 0.000 0.000) 0.714 6.768 ( -2.083 0.000 0.000) 2.083 6.780 ( -11.232 0.000 0.000) 11.232 6.808 ( -6.117 0.000 0.000) 6.117 6.925 ( -8.096 0.000 0.000) 8.096 7.490 ( 5.161 0.000 0.000) 5.161 7.526 ( -0.664 0.000 0.000) 0.664 7.529 ( -1.525 0.000 0.000) 1.525 7.576 ( 2.283 0.000 0.000) 2.283 7.680 ( -3.171 0.000 0.000) 3.171 7.735 ( 1.772 0.000 0.000) 1.772 7.757 ( -1.413 0.000 0.000) 1.413 7.815 ( -3.736 0.000 0.000) 3.736 8.064 ( 7.567 0.000 0.000) 7.567 8.324 ( -0.494 0.000 0.000) 0.494 8.349 ( -0.283 0.000 0.000) 0.283 8.430 ( -1.495 0.000 0.000) 1.495 8.436 ( -0.242 0.000 0.000) 0.242 8.437 ( 1.109 0.000 0.000) 1.109 8.461 ( -3.556 0.000 0.000) 3.556 8.505 ( -3.040 0.000 0.000) 3.040 8.943 ( 6.454 0.000 0.000) 6.454 8.993 ( 6.456 0.000 0.000) 6.456 9.452 ( -7.977 0.000 0.000) 7.977 9.484 ( -7.780 0.000 0.000) 7.780 10.338 ( 3.268 0.000 0.000) 3.268 10.356 ( 4.171 0.000 0.000) 4.171 10.405 ( 1.982 0.000 0.000) 1.982 10.535 ( -1.155 0.000 0.000) 1.155 ======================= Grid point 3 (4/48) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 8.675 0.000 0.000) 8.675 0.686 ( 9.761 0.000 0.000) 9.761 0.726 ( 6.325 0.000 0.000) 6.325 0.729 ( -7.496 0.000 0.000) 7.496 0.738 ( 8.538 0.000 0.000) 8.538 0.817 ( -3.203 0.000 0.000) 3.203 0.821 ( -2.810 0.000 0.000) 2.810 0.871 ( -5.002 0.000 0.000) 5.002 0.896 ( 1.035 0.000 0.000) 1.035 0.917 ( -0.891 0.000 0.000) 0.891 0.984 ( 1.670 0.000 0.000) 1.670 1.009 ( -1.515 0.000 0.000) 1.515 1.074 ( 5.136 0.000 0.000) 5.136 1.076 ( 0.066 0.000 0.000) 0.066 1.124 ( -3.901 0.000 0.000) 3.901 1.141 ( -0.420 0.000 0.000) 0.420 1.156 ( -2.732 0.000 0.000) 2.732 1.159 ( -1.422 0.000 0.000) 1.422 1.248 ( 3.339 0.000 0.000) 3.339 1.282 ( 3.504 0.000 0.000) 3.504 1.322 ( 0.068 0.000 0.000) 0.068 1.354 ( -5.844 0.000 0.000) 5.844 1.356 ( 4.205 0.000 0.000) 4.205 1.365 ( -0.067 0.000 0.000) 0.067 1.494 ( 12.524 0.000 0.000) 12.524 1.525 ( 5.834 0.000 0.000) 5.834 1.602 ( 5.237 0.000 0.000) 5.237 1.639 ( -6.003 0.000 0.000) 6.003 1.647 ( 11.855 0.000 0.000) 11.855 1.734 ( -9.422 0.000 0.000) 9.422 1.735 ( -7.930 0.000 0.000) 7.930 1.858 ( -9.394 0.000 0.000) 9.394 2.093 ( 3.259 0.000 0.000) 3.259 2.128 ( -1.166 0.000 0.000) 1.166 2.156 ( 3.295 0.000 0.000) 3.295 2.204 ( -1.932 0.000 0.000) 1.932 2.387 ( 6.326 0.000 0.000) 6.326 2.413 ( 1.005 0.000 0.000) 1.005 2.485 ( -5.942 0.000 0.000) 5.942 2.509 ( -6.657 0.000 0.000) 6.657 2.975 ( 0.673 0.000 0.000) 0.673 3.009 ( 6.171 0.000 0.000) 6.171 3.011 ( -2.607 0.000 0.000) 2.607 3.133 ( -6.098 0.000 0.000) 6.098 3.298 ( -0.479 0.000 0.000) 0.479 3.311 ( 1.343 0.000 0.000) 1.343 3.313 ( 1.373 0.000 0.000) 1.373 3.313 ( 1.383 0.000 0.000) 1.383 3.385 ( 0.327 0.000 0.000) 0.327 3.496 ( 2.573 0.000 0.000) 2.573 3.528 ( -10.234 0.000 0.000) 10.234 3.535 ( -1.377 0.000 0.000) 1.377 3.835 ( 2.618 0.000 0.000) 2.618 3.870 ( -0.807 0.000 0.000) 0.807 4.037 ( -0.674 0.000 0.000) 0.674 4.039 ( -0.756 0.000 0.000) 0.756 4.085 ( 2.055 0.000 0.000) 2.055 4.097 ( 0.775 0.000 0.000) 0.775 4.489 ( 4.799 0.000 0.000) 4.799 4.589 ( -5.252 0.000 0.000) 5.252 4.670 ( 2.431 0.000 0.000) 2.431 4.714 ( -2.564 0.000 0.000) 2.564 4.782 ( 0.115 0.000 0.000) 0.115 4.807 ( 0.500 0.000 0.000) 0.500 4.811 ( -2.912 0.000 0.000) 2.912 4.814 ( 0.190 0.000 0.000) 0.190 4.977 ( 0.391 0.000 0.000) 0.391 4.996 ( -1.259 0.000 0.000) 1.259 5.314 ( 0.090 0.000 0.000) 0.090 5.357 ( -4.389 0.000 0.000) 4.389 5.455 ( 2.299 0.000 0.000) 2.299 5.499 ( -2.191 0.000 0.000) 2.191 5.521 ( 2.060 0.000 0.000) 2.060 5.575 ( -3.476 0.000 0.000) 3.476 5.621 ( 2.114 0.000 0.000) 2.114 5.646 ( -0.220 0.000 0.000) 0.220 6.343 ( 17.453 0.000 0.000) 17.453 6.347 ( 8.907 0.000 0.000) 8.907 6.553 ( -11.565 0.000 0.000) 11.565 6.632 ( -11.856 0.000 0.000) 11.856 6.668 ( 4.040 0.000 0.000) 4.040 6.697 ( 1.632 0.000 0.000) 1.632 6.731 ( -1.789 0.000 0.000) 1.789 6.775 ( -6.784 0.000 0.000) 6.784 7.506 ( -0.563 0.000 0.000) 0.563 7.510 ( -0.769 0.000 0.000) 0.769 7.570 ( 2.898 0.000 0.000) 2.898 7.621 ( -2.725 0.000 0.000) 2.725 7.641 ( 4.409 0.000 0.000) 4.409 7.732 ( -4.578 0.000 0.000) 4.578 7.746 ( 0.139 0.000 0.000) 0.139 7.751 ( 0.017 0.000 0.000) 0.017 8.211 ( 6.822 0.000 0.000) 6.822 8.314 ( -3.464 0.000 0.000) 3.464 8.337 ( 1.752 0.000 0.000) 1.752 8.389 ( -3.428 0.000 0.000) 3.428 8.425 ( 0.783 0.000 0.000) 0.783 8.434 ( 0.302 0.000 0.000) 0.302 8.443 ( -0.555 0.000 0.000) 0.555 8.455 ( -1.891 0.000 0.000) 1.891 9.093 ( 8.692 0.000 0.000) 8.692 9.141 ( 8.459 0.000 0.000) 8.459 9.275 ( -9.586 0.000 0.000) 9.586 9.315 ( -9.089 0.000 0.000) 9.089 10.396 ( 2.368 0.000 0.000) 2.368 10.423 ( -0.248 0.000 0.000) 0.248 10.438 ( 3.868 0.000 0.000) 3.868 10.500 ( -2.431 0.000 0.000) 2.431 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.236 ( 0.000 12.470 0.000) 12.470 0.254 ( 0.000 13.602 0.000) 13.602 0.357 ( 0.000 11.813 0.000) 11.813 0.450 ( 0.000 22.418 0.000) 22.418 0.530 ( 0.000 0.847 0.000) 0.847 0.652 ( 0.000 -7.907 0.000) 7.907 0.724 ( 0.000 -5.354 0.000) 5.354 0.807 ( 0.000 -0.493 0.000) 0.493 0.824 ( 0.000 1.350 0.000) 1.350 0.841 ( 0.000 -0.641 0.000) 0.641 0.865 ( 0.000 2.522 0.000) 2.522 0.899 ( 0.000 -0.487 0.000) 0.487 0.927 ( 0.000 0.951 0.000) 0.951 0.933 ( 0.000 -0.893 0.000) 0.893 1.020 ( 0.000 0.818 0.000) 0.818 1.099 ( 0.000 -2.422 0.000) 2.422 1.100 ( 0.000 -3.759 0.000) 3.759 1.154 ( 0.000 5.542 0.000) 5.542 1.173 ( 0.000 -5.876 0.000) 5.876 1.175 ( 0.000 -1.246 0.000) 1.246 1.179 ( 0.000 -1.501 0.000) 1.501 1.268 ( 0.000 1.903 0.000) 1.903 1.288 ( 0.000 -2.780 0.000) 2.780 1.304 ( 0.000 -0.734 0.000) 0.734 1.427 ( 0.000 1.860 0.000) 1.860 1.449 ( 0.000 0.510 0.000) 0.510 1.507 ( 0.000 4.360 0.000) 4.360 1.709 ( 0.000 -4.635 0.000) 4.635 1.754 ( 0.000 -0.073 0.000) 0.073 1.807 ( 0.000 -1.984 0.000) 1.984 1.886 ( 0.000 0.289 0.000) 0.289 1.908 ( 0.000 -0.671 0.000) 0.671 2.029 ( 0.000 0.437 0.000) 0.437 2.048 ( 0.000 -0.494 0.000) 0.494 2.170 ( 0.000 2.089 0.000) 2.089 2.231 ( 0.000 -0.743 0.000) 0.743 2.435 ( 0.000 1.866 0.000) 1.866 2.563 ( 0.000 -4.391 0.000) 4.391 2.783 ( 0.000 4.274 0.000) 4.274 2.870 ( 0.000 0.907 0.000) 0.907 2.924 ( 0.000 4.079 0.000) 4.079 2.988 ( 0.000 -1.741 0.000) 1.741 2.993 ( 0.000 -4.809 0.000) 4.809 3.180 ( 0.000 -8.555 0.000) 8.555 3.211 ( 0.000 4.219 0.000) 4.219 3.283 ( 0.000 -3.382 0.000) 3.382 3.357 ( 0.000 4.874 0.000) 4.874 3.424 ( 0.000 2.118 0.000) 2.118 3.470 ( 0.000 0.219 0.000) 0.219 3.498 ( 0.000 -3.425 0.000) 3.425 3.705 ( 0.000 4.911 0.000) 4.911 3.716 ( 0.000 1.019 0.000) 1.019 3.820 ( 0.000 -3.525 0.000) 3.525 3.827 ( 0.000 2.952 0.000) 2.952 3.832 ( 0.000 -1.194 0.000) 1.194 3.976 ( 0.000 -4.210 0.000) 4.210 4.110 ( 0.000 0.529 0.000) 0.529 4.212 ( 0.000 11.994 0.000) 11.994 4.267 ( 0.000 -6.043 0.000) 6.043 4.536 ( 0.000 -4.755 0.000) 4.755 4.691 ( 0.000 3.337 0.000) 3.337 4.796 ( 0.000 -1.903 0.000) 1.903 4.901 ( 0.000 -0.026 0.000) 0.026 4.922 ( 0.000 -0.963 0.000) 0.963 4.985 ( 0.000 0.728 0.000) 0.728 5.017 ( 0.000 -0.533 0.000) 0.533 5.084 ( 0.000 3.230 0.000) 3.230 5.182 ( 0.000 0.515 0.000) 0.515 5.422 ( 0.000 0.399 0.000) 0.399 5.429 ( 0.000 -1.919 0.000) 1.919 5.444 ( 0.000 -0.492 0.000) 0.492 5.515 ( 0.000 -3.441 0.000) 3.441 5.528 ( 0.000 1.385 0.000) 1.385 5.564 ( 0.000 0.829 0.000) 0.829 5.581 ( 0.000 -0.977 0.000) 0.977 5.603 ( 0.000 -0.520 0.000) 0.520 5.708 ( 0.000 3.521 0.000) 3.521 5.822 ( 0.000 -1.890 0.000) 1.890 6.559 ( 0.000 3.322 0.000) 3.322 6.723 ( 0.000 -4.059 0.000) 4.059 6.856 ( 0.000 1.045 0.000) 1.045 6.883 ( 0.000 -0.042 0.000) 0.042 7.090 ( 0.000 0.948 0.000) 0.948 7.123 ( 0.000 -0.500 0.000) 0.500 7.331 ( 0.000 0.886 0.000) 0.886 7.434 ( 0.000 -4.788 0.000) 4.788 7.598 ( 0.000 3.110 0.000) 3.110 7.627 ( 0.000 5.300 0.000) 5.300 7.660 ( 0.000 0.433 0.000) 0.433 7.666 ( 0.000 -0.484 0.000) 0.484 7.739 ( 0.000 -2.548 0.000) 2.548 7.788 ( 0.000 -3.016 0.000) 3.016 8.335 ( 0.000 1.042 0.000) 1.042 8.367 ( 0.000 -0.059 0.000) 0.059 8.368 ( 0.000 -0.271 0.000) 0.271 8.381 ( 0.000 -0.966 0.000) 0.966 8.427 ( 0.000 2.224 0.000) 2.224 8.519 ( 0.000 -2.047 0.000) 2.047 8.546 ( 0.000 0.863 0.000) 0.863 8.581 ( 0.000 -0.726 0.000) 0.726 8.819 ( 0.000 1.054 0.000) 1.054 8.855 ( 0.000 -0.588 0.000) 0.588 9.620 ( 0.000 0.625 0.000) 0.625 9.647 ( 0.000 -0.558 0.000) 0.558 10.257 ( 0.000 0.098 0.000) 0.098 10.261 ( 0.000 -0.096 0.000) 0.096 10.308 ( 0.000 1.044 0.000) 1.044 10.355 ( 0.000 -1.018 0.000) 1.018 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 9.455 7.033 0.000) 11.784 0.418 ( 8.439 10.661 0.000) 13.596 0.418 ( 5.847 10.534 0.000) 12.047 0.511 ( -0.696 3.957 0.000) 4.017 0.655 ( 18.479 9.709 0.000) 20.874 0.727 ( 5.199 -5.240 0.000) 7.382 0.775 ( 4.501 -6.004 0.000) 7.504 0.825 ( 1.613 -0.634 0.000) 1.734 0.860 ( 3.239 -1.457 0.000) 3.551 0.865 ( 1.179 1.748 0.000) 2.109 0.901 ( 3.431 -0.612 0.000) 3.485 0.928 ( -0.051 -1.220 0.000) 1.221 0.976 ( 6.726 -1.092 0.000) 6.815 1.002 ( 7.289 1.080 0.000) 7.368 1.014 ( 0.119 1.959 0.000) 1.963 1.057 ( -4.050 -0.445 0.000) 4.074 1.120 ( 2.654 -2.355 0.000) 3.548 1.124 ( -1.783 -4.693 0.000) 5.020 1.160 ( -0.778 0.433 0.000) 0.890 1.198 ( 1.817 -2.662 0.000) 3.223 1.221 ( 2.410 0.580 0.000) 2.479 1.257 ( -1.560 -0.152 0.000) 1.568 1.280 ( 2.311 1.720 0.000) 2.881 1.339 ( 3.559 -1.573 0.000) 3.891 1.404 ( -1.302 1.261 0.000) 1.812 1.463 ( -0.172 -0.901 0.000) 0.918 1.505 ( -0.429 4.047 0.000) 4.069 1.617 ( -7.244 -1.435 0.000) 7.384 1.784 ( 1.609 0.030 0.000) 1.609 1.825 ( 0.964 -1.318 0.000) 1.633 1.946 ( 3.233 -0.271 0.000) 3.244 1.993 ( -2.796 0.442 0.000) 2.831 1.995 ( 8.104 -1.925 0.000) 8.329 2.027 ( -1.939 -1.204 0.000) 2.282 2.142 ( -2.781 2.224 0.000) 3.561 2.207 ( -2.285 -0.860 0.000) 2.441 2.442 ( -0.050 1.829 0.000) 1.830 2.514 ( -7.363 2.397 0.000) 7.744 2.738 ( 3.933 2.816 0.000) 4.837 2.805 ( -7.533 1.148 0.000) 7.620 2.818 ( -6.462 0.271 0.000) 6.468 2.999 ( -0.745 -5.146 0.000) 5.200 3.063 ( 3.308 -0.479 0.000) 3.343 3.158 ( -0.615 -5.281 0.000) 5.316 3.229 ( 0.724 2.180 0.000) 2.296 3.290 ( 1.159 -1.450 0.000) 1.856 3.324 ( -2.359 3.584 0.000) 4.291 3.414 ( -2.477 -2.250 0.000) 3.346 3.440 ( -3.462 0.313 0.000) 3.477 3.505 ( 1.050 -1.347 0.000) 1.708 3.651 ( -1.300 7.953 0.000) 8.059 3.765 ( -0.662 -0.274 0.000) 0.717 3.842 ( 0.739 2.096 0.000) 2.222 3.845 ( 1.198 -0.826 0.000) 1.455 3.869 ( 3.364 -5.956 0.000) 6.840 3.940 ( -1.014 -3.767 0.000) 3.901 4.106 ( -0.543 1.540 0.000) 1.633 4.251 ( 1.008 9.668 0.000) 9.721 4.289 ( 1.956 -6.079 0.000) 6.386 4.525 ( -0.637 -4.440 0.000) 4.485 4.714 ( 2.064 2.583 0.000) 3.306 4.797 ( 0.077 -1.350 0.000) 1.352 4.830 ( -5.581 1.801 0.000) 5.864 4.886 ( -3.831 0.328 0.000) 3.845 4.949 ( -3.568 1.307 0.000) 3.799 4.998 ( -1.567 -0.812 0.000) 1.765 5.025 ( -6.338 9.156 0.000) 11.135 5.065 ( -1.466 2.263 0.000) 2.696 5.355 ( 5.664 6.577 0.000) 8.680 5.393 ( -2.060 1.353 0.000) 2.465 5.458 ( 0.608 -1.513 0.000) 1.631 5.541 ( 1.267 0.952 0.000) 1.584 5.544 ( 0.194 -1.961 0.000) 1.971 5.554 ( -0.998 -0.349 0.000) 1.057 5.571 ( -0.848 -0.491 0.000) 0.980 5.677 ( 4.680 -1.987 0.000) 5.084 5.781 ( -0.273 1.236 0.000) 1.266 6.042 ( 11.705 -13.510 0.000) 17.875 6.560 ( 0.805 1.455 0.000) 1.663 6.664 ( -3.245 -1.993 0.000) 3.808 6.822 ( -2.767 0.999 0.000) 2.942 6.867 ( -2.539 -1.111 0.000) 2.771 7.000 ( -7.310 2.071 0.000) 7.598 7.063 ( -5.909 -0.797 0.000) 5.962 7.387 ( 4.641 0.346 0.000) 4.654 7.458 ( 1.916 -3.854 0.000) 4.304 7.581 ( -1.367 2.608 0.000) 2.945 7.623 ( -0.288 4.760 0.000) 4.768 7.682 ( 1.412 -0.953 0.000) 1.704 7.723 ( -0.887 -1.282 0.000) 1.559 7.747 ( 4.540 -3.603 0.000) 5.796 7.769 ( -1.713 -2.734 0.000) 3.227 8.175 ( -7.918 11.073 0.000) 13.613 8.348 ( -1.959 -0.501 0.000) 2.022 8.348 ( 0.164 0.621 0.000) 0.642 8.397 ( 1.451 -1.073 0.000) 1.805 8.424 ( 0.424 -0.172 0.000) 0.458 8.470 ( -2.973 -1.112 0.000) 3.174 8.525 ( -2.048 0.810 0.000) 2.202 8.557 ( -2.337 -0.598 0.000) 2.412 8.853 ( 3.533 0.971 0.000) 3.664 8.889 ( 3.463 -0.593 0.000) 3.514 9.579 ( -4.252 0.557 0.000) 4.288 9.603 ( -4.460 -0.492 0.000) 4.488 10.281 ( 2.388 0.116 0.000) 2.391 10.287 ( 2.537 -0.111 0.000) 2.539 10.364 ( 3.158 0.935 0.000) 3.293 10.466 ( 4.832 -5.664 0.000) 7.446 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 3.163 5.682 0.000) 6.503 0.549 ( 8.525 5.612 0.000) 10.206 0.578 ( 7.914 4.472 0.000) 9.090 0.602 ( 7.997 4.435 0.000) 9.145 0.763 ( 0.566 -4.447 0.000) 4.483 0.840 ( 0.347 0.262 0.000) 0.435 0.848 ( -0.484 -0.587 0.000) 0.760 0.859 ( 2.245 -5.660 0.000) 6.089 0.887 ( 0.473 -0.102 0.000) 0.484 0.940 ( 0.491 -2.446 0.000) 2.495 0.949 ( 2.404 -0.520 0.000) 2.459 0.958 ( -1.976 -2.065 0.000) 2.858 1.035 ( 0.505 0.820 0.000) 0.963 1.091 ( -1.472 -1.038 0.000) 1.801 1.092 ( 10.357 1.647 0.000) 10.487 1.118 ( 9.201 1.025 0.000) 9.258 1.143 ( 7.121 2.418 0.000) 7.521 1.149 ( 1.489 0.827 0.000) 1.703 1.189 ( 1.743 -2.172 0.000) 2.785 1.211 ( -1.257 1.918 0.000) 2.294 1.284 ( 1.912 -0.968 0.000) 2.143 1.305 ( 9.719 -2.259 0.000) 9.978 1.349 ( 0.987 2.000 0.000) 2.231 1.380 ( -1.111 0.496 0.000) 1.216 1.416 ( 2.892 -1.266 0.000) 3.157 1.431 ( -3.029 -1.578 0.000) 3.416 1.471 ( 1.473 2.112 0.000) 2.575 1.535 ( 0.582 -0.735 0.000) 0.937 1.753 ( -4.770 0.394 0.000) 4.786 1.804 ( -4.162 -2.427 0.000) 4.818 1.920 ( -4.426 2.113 0.000) 4.905 1.995 ( -3.968 -2.040 0.000) 4.461 2.028 ( 4.868 2.071 0.000) 5.290 2.096 ( 0.626 1.835 0.000) 1.939 2.155 ( 7.064 -3.144 0.000) 7.732 2.156 ( -2.375 -0.958 0.000) 2.561 2.367 ( -4.470 4.075 0.000) 6.048 2.432 ( -2.007 0.532 0.000) 2.076 2.639 ( -8.408 0.993 0.000) 8.466 2.666 ( -8.483 0.183 0.000) 8.485 2.851 ( 6.019 -1.001 0.000) 6.101 3.001 ( 1.874 -2.454 0.000) 3.088 3.081 ( -0.890 2.376 0.000) 2.537 3.181 ( 1.400 -2.873 0.000) 3.196 3.196 ( -2.808 -1.450 0.000) 3.160 3.283 ( -2.054 1.006 0.000) 2.287 3.328 ( -5.163 -3.188 0.000) 6.068 3.334 ( 0.355 -3.995 0.000) 4.011 3.392 ( 0.072 4.214 0.000) 4.215 3.516 ( 0.863 1.077 0.000) 1.380 3.614 ( -2.593 4.751 0.000) 5.413 3.703 ( -6.914 -1.562 0.000) 7.088 3.821 ( 1.280 3.574 0.000) 3.796 3.870 ( 1.220 0.144 0.000) 1.229 3.939 ( 3.521 -5.145 0.000) 6.235 3.993 ( 3.355 -3.201 0.000) 4.637 4.092 ( -0.500 3.644 0.000) 3.678 4.223 ( -3.081 9.062 0.000) 9.572 4.333 ( 2.437 -7.073 0.000) 7.481 4.511 ( -1.488 -7.294 0.000) 7.444 4.753 ( -1.645 3.098 0.000) 3.508 4.755 ( 1.473 1.456 0.000) 2.071 4.802 ( 0.613 0.255 0.000) 0.664 4.813 ( -2.993 -0.146 0.000) 2.996 4.867 ( -3.972 2.853 0.000) 4.890 4.956 ( -3.025 6.874 0.000) 7.510 4.969 ( -1.095 -1.560 0.000) 1.906 5.038 ( -1.487 1.494 0.000) 2.108 5.354 ( -1.761 1.953 0.000) 2.630 5.421 ( 1.062 2.023 0.000) 2.285 5.461 ( -0.252 -2.884 0.000) 2.895 5.473 ( -4.784 0.727 0.000) 4.839 5.556 ( -0.520 1.136 0.000) 1.250 5.575 ( 2.034 0.083 0.000) 2.036 5.595 ( 2.356 -2.804 0.000) 3.662 5.623 ( -4.421 -3.980 0.000) 5.948 6.016 ( 17.740 4.444 0.000) 18.288 6.202 ( 7.211 -2.883 0.000) 7.766 6.597 ( 2.558 -1.288 0.000) 2.864 6.629 ( -0.072 -3.402 0.000) 3.403 6.751 ( -7.665 -1.161 0.000) 7.753 6.759 ( -5.416 -1.231 0.000) 5.554 6.851 ( -7.530 3.116 0.000) 8.150 6.924 ( -7.507 -0.389 0.000) 7.517 7.483 ( 4.687 -0.649 0.000) 4.732 7.493 ( 1.439 -1.910 0.000) 2.391 7.548 ( -1.788 2.103 0.000) 2.760 7.623 ( 0.599 3.567 0.000) 3.616 7.658 ( -2.663 -2.538 0.000) 3.679 7.737 ( -1.109 -2.144 0.000) 2.413 7.741 ( 1.122 0.659 0.000) 1.301 7.785 ( -0.897 -2.092 0.000) 2.276 8.141 ( 3.323 6.645 0.000) 7.429 8.313 ( -0.336 -1.635 0.000) 1.669 8.361 ( -0.153 1.292 0.000) 1.301 8.419 ( -1.062 -0.773 0.000) 1.313 8.422 ( 0.672 -1.485 0.000) 1.630 8.429 ( -0.603 -0.703 0.000) 0.926 8.470 ( -3.303 0.917 0.000) 3.428 8.501 ( -2.936 -0.437 0.000) 2.968 8.952 ( 6.426 0.905 0.000) 6.489 8.987 ( 6.427 -0.630 0.000) 6.458 9.457 ( -7.936 0.543 0.000) 7.955 9.480 ( -7.797 -0.456 0.000) 7.810 10.341 ( 3.396 0.279 0.000) 3.408 10.354 ( 4.035 -0.280 0.000) 4.044 10.418 ( 1.978 1.449 0.000) 2.452 10.506 ( 0.182 -2.703 0.000) 2.710 ======================= Grid point 10 (8/48) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 6.594 2.496 0.000) 7.050 0.701 ( 0.214 -1.699 0.000) 1.713 0.706 ( 6.245 -0.345 0.000) 6.255 0.723 ( -0.851 -1.843 0.000) 2.030 0.735 ( 5.415 2.215 0.000) 5.851 0.813 ( -2.330 -0.051 0.000) 2.331 0.827 ( -1.744 -0.006 0.000) 1.744 0.828 ( -2.889 -2.818 0.000) 4.036 0.915 ( 1.686 2.150 0.000) 2.732 0.928 ( 0.446 0.675 0.000) 0.809 0.991 ( 1.629 0.093 0.000) 1.632 1.008 ( 0.149 -1.588 0.000) 1.595 1.047 ( 2.721 -0.767 0.000) 2.827 1.079 ( 0.762 -0.270 0.000) 0.808 1.104 ( -2.759 -1.353 0.000) 3.073 1.130 ( -3.232 -0.894 0.000) 3.353 1.180 ( 0.209 1.658 0.000) 1.671 1.190 ( -0.932 2.859 0.000) 3.007 1.229 ( 4.139 -1.244 0.000) 4.322 1.300 ( -1.176 -2.274 0.000) 2.560 1.311 ( 0.958 2.245 0.000) 2.440 1.355 ( -3.234 0.058 0.000) 3.234 1.364 ( -0.771 -0.142 0.000) 0.784 1.365 ( 1.305 0.345 0.000) 1.350 1.487 ( 12.049 0.010 0.000) 12.049 1.524 ( 6.110 -0.356 0.000) 6.120 1.608 ( 7.350 0.557 0.000) 7.371 1.639 ( -6.132 0.011 0.000) 6.132 1.640 ( 11.609 -0.727 0.000) 11.631 1.675 ( -7.809 -2.672 0.000) 8.254 1.793 ( -9.246 2.815 0.000) 9.665 1.853 ( -9.377 -0.633 0.000) 9.398 2.109 ( 2.511 1.833 0.000) 3.109 2.128 ( -0.312 0.117 0.000) 0.334 2.149 ( 2.862 -0.718 0.000) 2.951 2.199 ( -1.829 -1.204 0.000) 2.190 2.390 ( 5.509 0.768 0.000) 5.563 2.417 ( 1.638 0.232 0.000) 1.654 2.496 ( -6.002 1.053 0.000) 6.094 2.514 ( -6.809 0.322 0.000) 6.817 2.961 ( 5.362 0.527 0.000) 5.387 3.044 ( -2.849 3.528 0.000) 4.535 3.062 ( 3.277 3.097 0.000) 4.509 3.145 ( -5.192 1.217 0.000) 5.333 3.182 ( 2.435 -6.931 0.000) 7.346 3.235 ( -1.164 -4.963 0.000) 5.098 3.268 ( -2.072 -4.575 0.000) 5.022 3.282 ( -3.000 -5.717 0.000) 6.457 3.451 ( 4.050 6.092 0.000) 7.315 3.544 ( 1.704 2.070 0.000) 2.681 3.548 ( -5.729 3.043 0.000) 6.487 3.580 ( -2.644 1.973 0.000) 3.299 3.863 ( 2.015 3.062 0.000) 3.665 3.884 ( -0.070 1.504 0.000) 1.505 3.995 ( 2.049 -3.778 0.000) 4.298 4.020 ( -0.417 -3.042 0.000) 3.070 4.108 ( 2.041 3.939 0.000) 4.437 4.158 ( -3.094 5.944 0.000) 6.701 4.386 ( 3.142 -8.819 0.000) 9.362 4.456 ( -3.686 -9.332 0.000) 10.033 4.747 ( 0.127 3.176 0.000) 3.179 4.757 ( -0.793 2.168 0.000) 2.308 4.789 ( 0.832 -0.135 0.000) 0.843 4.815 ( -1.364 1.216 0.000) 1.827 4.830 ( 2.017 3.884 0.000) 4.376 4.887 ( -3.634 5.923 0.000) 6.949 4.966 ( 1.012 -1.423 0.000) 1.746 5.002 ( -2.144 0.204 0.000) 2.154 5.333 ( 0.024 2.149 0.000) 2.149 5.368 ( -3.667 1.394 0.000) 3.923 5.447 ( 0.511 -1.119 0.000) 1.230 5.455 ( -0.286 -3.429 0.000) 3.441 5.551 ( 0.113 2.005 0.000) 2.008 5.566 ( -1.597 -0.451 0.000) 1.659 5.613 ( 1.511 -0.961 0.000) 1.790 5.625 ( 0.436 -2.212 0.000) 2.254 6.335 ( 12.073 1.084 0.000) 12.121 6.385 ( 13.286 1.524 0.000) 13.373 6.549 ( -10.958 0.306 0.000) 10.962 6.633 ( -9.985 -2.012 0.000) 10.185 6.638 ( 2.558 -1.965 0.000) 3.225 6.683 ( 4.566 -1.973 0.000) 4.974 6.714 ( -5.356 1.134 0.000) 5.475 6.788 ( -6.188 -0.096 0.000) 6.189 7.509 ( 0.338 0.278 0.000) 0.438 7.520 ( -0.981 1.551 0.000) 1.835 7.558 ( 2.846 -1.404 0.000) 3.173 7.606 ( -2.443 -1.862 0.000) 3.071 7.659 ( 3.148 1.882 0.000) 3.668 7.728 ( -3.150 0.070 0.000) 3.150 7.733 ( 0.565 -1.437 0.000) 1.544 7.750 ( -1.053 -0.344 0.000) 1.108 8.242 ( 5.612 3.040 0.000) 6.382 8.330 ( -3.097 1.690 0.000) 3.528 8.335 ( 2.350 -0.563 0.000) 2.417 8.394 ( -3.312 -0.078 0.000) 3.313 8.411 ( 0.359 -0.832 0.000) 0.906 8.427 ( -1.035 -0.721 0.000) 1.261 8.430 ( 0.679 -0.694 0.000) 0.971 8.454 ( -1.757 -0.464 0.000) 1.818 9.101 ( 8.639 0.840 0.000) 8.680 9.135 ( 8.474 -0.643 0.000) 8.498 9.282 ( -9.496 0.690 0.000) 9.521 9.310 ( -9.145 -0.552 0.000) 9.162 10.402 ( 2.573 0.635 0.000) 2.650 10.432 ( 3.631 -0.664 0.000) 3.691 10.433 ( -0.468 1.105 0.000) 1.200 10.488 ( -1.976 -1.308 0.000) 2.370 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 0.000 -7.400 0.000) 7.400 0.425 ( 0.000 7.400 0.000) 7.400 0.478 ( 0.000 -11.185 0.000) 11.185 0.478 ( 0.000 11.185 0.000) 11.185 0.590 ( 0.000 -8.786 0.000) 8.786 0.590 ( 0.000 8.786 0.000) 8.786 0.745 ( 0.000 -8.666 0.000) 8.666 0.745 ( 0.000 8.666 0.000) 8.666 0.834 ( 0.000 -0.191 0.000) 0.191 0.834 ( 0.000 0.191 0.000) 0.191 0.893 ( 0.000 -0.059 0.000) 0.059 0.893 ( 0.000 0.059 0.000) 0.059 0.981 ( 0.000 -7.417 0.000) 7.417 0.981 ( 0.000 7.417 0.000) 7.417 1.022 ( 0.000 -7.938 0.000) 7.938 1.022 ( 0.000 7.938 0.000) 7.938 1.058 ( 0.000 -3.372 0.000) 3.372 1.058 ( 0.000 3.372 0.000) 3.372 1.165 ( 0.000 -0.048 0.000) 0.048 1.165 ( 0.000 0.048 0.000) 0.048 1.236 ( 0.000 -3.531 0.000) 3.531 1.236 ( 0.000 3.531 0.000) 3.531 1.291 ( 0.000 -0.843 0.000) 0.843 1.291 ( 0.000 0.843 0.000) 0.843 1.451 ( 0.000 -0.605 0.000) 0.605 1.451 ( 0.000 0.605 0.000) 0.605 1.607 ( 0.000 -6.220 0.000) 6.220 1.607 ( 0.000 6.220 0.000) 6.220 1.769 ( 0.000 -1.807 0.000) 1.807 1.769 ( 0.000 1.807 0.000) 1.807 1.895 ( 0.000 -0.684 0.000) 0.684 1.895 ( 0.000 0.684 0.000) 0.684 2.038 ( 0.000 -0.553 0.000) 0.553 2.038 ( 0.000 0.553 0.000) 0.553 2.208 ( 0.000 -1.855 0.000) 1.855 2.208 ( 0.000 1.855 0.000) 1.855 2.486 ( 0.000 -3.795 0.000) 3.795 2.486 ( 0.000 3.795 0.000) 3.795 2.891 ( 0.000 -7.188 0.000) 7.188 2.891 ( 0.000 7.188 0.000) 7.188 2.912 ( 0.000 -3.715 0.000) 3.715 2.912 ( 0.000 3.715 0.000) 3.715 3.028 ( 0.000 -7.565 0.000) 7.565 3.028 ( 0.000 7.565 0.000) 7.565 3.273 ( 0.000 -0.966 0.000) 0.966 3.273 ( 0.000 0.966 0.000) 0.966 3.428 ( 0.000 -2.241 0.000) 2.241 3.428 ( 0.000 2.241 0.000) 2.241 3.450 ( 0.000 -0.213 0.000) 0.213 3.450 ( 0.000 0.213 0.000) 0.213 3.743 ( 0.000 -0.970 0.000) 0.970 3.743 ( 0.000 0.970 0.000) 0.970 3.807 ( 0.000 -1.103 0.000) 1.103 3.807 ( 0.000 1.103 0.000) 1.103 3.895 ( 0.000 -4.386 0.000) 4.386 3.895 ( 0.000 4.386 0.000) 4.386 4.157 ( 0.000 -5.076 0.000) 5.076 4.157 ( 0.000 5.076 0.000) 5.076 4.409 ( 0.000 -9.364 0.000) 9.364 4.409 ( 0.000 9.364 0.000) 9.364 4.751 ( 0.000 -3.067 0.000) 3.067 4.751 ( 0.000 3.067 0.000) 3.067 4.906 ( 0.000 -0.657 0.000) 0.657 4.906 ( 0.000 0.657 0.000) 0.657 5.002 ( 0.000 -1.032 0.000) 1.032 5.002 ( 0.000 1.032 0.000) 1.032 5.152 ( 0.000 -3.619 0.000) 3.619 5.152 ( 0.000 3.619 0.000) 3.619 5.433 ( 0.000 -0.683 0.000) 0.683 5.433 ( 0.000 0.683 0.000) 0.683 5.445 ( 0.000 -3.450 0.000) 3.450 5.445 ( 0.000 3.450 0.000) 3.450 5.557 ( 0.000 -1.622 0.000) 1.622 5.557 ( 0.000 1.622 0.000) 1.622 5.584 ( 0.000 -1.294 0.000) 1.294 5.584 ( 0.000 1.294 0.000) 1.294 5.774 ( 0.000 -3.390 0.000) 3.390 5.774 ( 0.000 3.390 0.000) 3.390 6.637 ( 0.000 -5.059 0.000) 5.059 6.637 ( 0.000 5.059 0.000) 5.059 6.875 ( 0.000 -0.857 0.000) 0.857 6.875 ( 0.000 0.857 0.000) 0.857 7.109 ( 0.000 -1.014 0.000) 1.014 7.109 ( 0.000 1.014 0.000) 1.014 7.364 ( 0.000 -2.926 0.000) 2.926 7.364 ( 0.000 2.926 0.000) 2.926 7.650 ( 0.000 -1.659 0.000) 1.659 7.650 ( 0.000 1.659 0.000) 1.659 7.684 ( 0.000 -2.834 0.000) 2.834 7.684 ( 0.000 2.834 0.000) 2.834 7.717 ( 0.000 -4.691 0.000) 4.691 7.717 ( 0.000 4.691 0.000) 4.691 8.358 ( 0.000 -1.419 0.000) 1.419 8.358 ( 0.000 1.419 0.000) 1.419 8.366 ( 0.000 -0.026 0.000) 0.026 8.366 ( 0.000 0.026 0.000) 0.026 8.473 ( 0.000 -2.754 0.000) 2.754 8.473 ( 0.000 2.754 0.000) 2.754 8.564 ( 0.000 -1.095 0.000) 1.095 8.564 ( 0.000 1.095 0.000) 1.095 8.839 ( 0.000 -1.096 0.000) 1.096 8.839 ( 0.000 1.096 0.000) 1.096 9.634 ( 0.000 -0.835 0.000) 0.835 9.634 ( 0.000 0.835 0.000) 0.835 10.259 ( 0.000 -0.137 0.000) 0.137 10.259 ( 0.000 0.137 0.000) 0.137 10.332 ( 0.000 -1.458 0.000) 1.458 10.332 ( 0.000 1.458 0.000) 1.458 ======================= Grid point 16 (10/48) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 4.803 -4.538 0.000) 6.608 0.484 ( 4.803 4.538 0.000) 6.608 0.592 ( 6.249 -8.588 0.000) 10.621 0.592 ( 6.249 8.588 0.000) 10.621 0.632 ( 4.224 -9.585 0.000) 10.475 0.632 ( 4.224 9.585 0.000) 10.475 0.797 ( 5.672 -3.509 0.000) 6.670 0.797 ( 5.672 3.509 0.000) 6.670 0.866 ( 2.410 -1.906 0.000) 3.073 0.866 ( 2.410 1.906 0.000) 3.073 0.935 ( 5.662 -3.947 0.000) 6.902 0.935 ( 5.662 3.947 0.000) 6.902 0.977 ( -3.888 -6.080 0.000) 7.217 0.977 ( -3.888 6.080 0.000) 7.217 1.049 ( 6.483 -4.658 0.000) 7.983 1.049 ( 6.483 4.658 0.000) 7.983 1.059 ( 0.226 -2.910 0.000) 2.918 1.059 ( 0.226 2.910 0.000) 2.918 1.166 ( 0.049 -0.567 0.000) 0.569 1.166 ( 0.049 0.567 0.000) 0.569 1.243 ( 0.581 -1.354 0.000) 1.474 1.243 ( 0.581 1.354 0.000) 1.474 1.311 ( 2.604 -1.627 0.000) 3.071 1.311 ( 2.604 1.627 0.000) 3.071 1.435 ( -1.440 -2.006 0.000) 2.470 1.435 ( -1.440 2.006 0.000) 2.470 1.572 ( -3.474 -3.365 0.000) 4.837 1.572 ( -3.474 3.365 0.000) 4.837 1.797 ( 1.595 -1.407 0.000) 2.127 1.797 ( 1.595 1.407 0.000) 2.127 1.959 ( 5.727 -1.640 0.000) 5.957 1.959 ( 5.727 1.640 0.000) 5.957 2.006 ( -2.696 -1.001 0.000) 2.876 2.006 ( -2.696 1.001 0.000) 2.876 2.182 ( -2.513 -1.956 0.000) 3.185 2.182 ( -2.513 1.956 0.000) 3.185 2.488 ( -1.135 -3.079 0.000) 3.281 2.488 ( -1.135 3.079 0.000) 3.281 2.821 ( -7.459 -0.276 0.000) 7.464 2.821 ( -7.459 0.276 0.000) 7.464 2.860 ( -1.103 -8.938 0.000) 9.005 2.860 ( -1.103 8.938 0.000) 9.005 3.077 ( 3.326 -2.873 0.000) 4.395 3.077 ( 3.326 2.873 0.000) 4.395 3.278 ( -0.150 -2.390 0.000) 2.395 3.278 ( -0.150 2.390 0.000) 2.395 3.381 ( -3.938 -2.462 0.000) 4.644 3.381 ( -3.938 2.462 0.000) 4.644 3.455 ( 0.528 -3.038 0.000) 3.083 3.455 ( 0.528 3.038 0.000) 3.083 3.755 ( -1.183 -2.657 0.000) 2.909 3.755 ( -1.183 2.657 0.000) 2.909 3.830 ( 2.166 -0.347 0.000) 2.194 3.830 ( 2.166 0.347 0.000) 2.194 3.873 ( -0.203 -2.723 0.000) 2.731 3.873 ( -0.203 2.723 0.000) 2.731 4.173 ( 1.231 -5.894 0.000) 6.021 4.173 ( 1.231 5.894 0.000) 6.021 4.412 ( -0.353 -7.960 0.000) 7.968 4.412 ( -0.353 7.960 0.000) 7.968 4.762 ( 1.040 -2.505 0.000) 2.713 4.762 ( 1.040 2.505 0.000) 2.713 4.865 ( -3.801 -1.891 0.000) 4.245 4.865 ( -3.801 1.891 0.000) 4.245 4.976 ( -2.399 -1.553 0.000) 2.857 4.976 ( -2.399 1.553 0.000) 2.857 5.095 ( -3.344 -0.429 0.000) 3.371 5.095 ( -3.344 0.429 0.000) 3.371 5.425 ( -0.821 -2.021 0.000) 2.181 5.425 ( -0.821 2.021 0.000) 2.181 5.480 ( 2.168 -5.264 0.000) 5.693 5.480 ( 2.168 5.264 0.000) 5.693 5.558 ( 0.307 -0.880 0.000) 0.933 5.558 ( 0.307 0.880 0.000) 0.933 5.598 ( -2.076 -5.131 0.000) 5.535 5.598 ( -2.076 5.131 0.000) 5.535 5.856 ( 10.371 -7.078 0.000) 12.556 5.856 ( 10.371 7.078 0.000) 12.556 6.610 ( -2.019 -3.491 0.000) 4.032 6.610 ( -2.019 3.491 0.000) 4.032 6.844 ( -3.234 -1.359 0.000) 3.507 6.844 ( -3.234 1.359 0.000) 3.507 7.038 ( -6.196 -1.931 0.000) 6.490 7.038 ( -6.196 1.931 0.000) 6.490 7.406 ( 3.453 -1.890 0.000) 3.937 7.406 ( 3.453 1.890 0.000) 3.937 7.638 ( -1.465 -3.402 0.000) 3.704 7.638 ( -1.465 3.402 0.000) 3.704 7.704 ( -1.102 -4.244 0.000) 4.385 7.704 ( -1.102 4.244 0.000) 4.385 7.717 ( 2.844 -0.634 0.000) 2.913 7.717 ( 2.844 0.634 0.000) 2.913 8.304 ( -4.897 -4.252 0.000) 6.485 8.304 ( -4.897 4.252 0.000) 6.485 8.373 ( 1.219 -1.528 0.000) 1.954 8.373 ( 1.219 1.528 0.000) 1.954 8.441 ( -1.765 -1.728 0.000) 2.470 8.441 ( -1.765 1.728 0.000) 2.470 8.542 ( -2.149 -0.971 0.000) 2.358 8.542 ( -2.149 0.971 0.000) 2.358 8.873 ( 3.465 -1.096 0.000) 3.635 8.873 ( 3.465 1.096 0.000) 3.635 9.591 ( -4.355 -0.741 0.000) 4.418 9.591 ( -4.355 0.741 0.000) 4.418 10.284 ( 2.463 -0.161 0.000) 2.468 10.284 ( 2.463 0.161 0.000) 2.468 10.394 ( 4.393 -2.594 0.000) 5.101 10.394 ( 4.393 2.594 0.000) 5.101 ======================= Grid point 18 (11/48) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 4.257 -2.767 0.000) 5.077 0.575 ( 4.257 2.767 0.000) 5.077 0.670 ( 2.644 -5.507 0.000) 6.109 0.670 ( 2.644 5.507 0.000) 6.109 0.733 ( 4.784 -8.213 0.000) 9.505 0.733 ( 4.784 8.213 0.000) 9.505 0.841 ( -0.502 -0.483 0.000) 0.696 0.841 ( -0.502 0.483 0.000) 0.696 0.915 ( 2.714 -2.642 0.000) 3.788 0.915 ( 2.714 2.642 0.000) 3.788 0.918 ( -0.836 -1.074 0.000) 1.361 0.918 ( -0.836 1.074 0.000) 1.361 1.062 ( -0.042 -1.933 0.000) 1.933 1.062 ( -0.042 1.933 0.000) 1.933 1.110 ( 5.449 -1.029 0.000) 5.546 1.110 ( 5.449 1.029 0.000) 5.546 1.163 ( 0.625 -0.734 0.000) 0.964 1.163 ( 0.625 0.734 0.000) 0.964 1.237 ( 13.025 -5.249 0.000) 14.043 1.237 ( 13.025 5.249 0.000) 14.043 1.253 ( 0.351 -2.314 0.000) 2.340 1.253 ( 0.351 2.314 0.000) 2.340 1.382 ( 2.772 -1.988 0.000) 3.411 1.382 ( 2.772 1.988 0.000) 3.411 1.399 ( -2.180 -1.650 0.000) 2.734 1.399 ( -2.180 1.650 0.000) 2.734 1.511 ( -0.129 -1.910 0.000) 1.915 1.511 ( -0.129 1.910 0.000) 1.915 1.768 ( -4.927 -1.407 0.000) 5.124 1.768 ( -4.927 1.407 0.000) 5.124 1.957 ( -3.114 -2.080 0.000) 3.744 1.957 ( -3.114 2.080 0.000) 3.744 2.085 ( 6.229 -4.052 0.000) 7.431 2.085 ( 6.229 4.052 0.000) 7.431 2.131 ( -1.653 -1.823 0.000) 2.461 2.131 ( -1.653 1.823 0.000) 2.461 2.425 ( -3.824 -1.800 0.000) 4.226 2.425 ( -3.824 1.800 0.000) 4.226 2.659 ( -8.375 -0.962 0.000) 8.430 2.659 ( -8.375 0.962 0.000) 8.430 2.897 ( 4.575 -6.023 0.000) 7.564 2.897 ( 4.575 6.023 0.000) 7.564 3.129 ( 1.535 -2.787 0.000) 3.182 3.129 ( 1.535 2.787 0.000) 3.182 3.244 ( -3.178 -4.911 0.000) 5.850 3.244 ( -3.178 4.911 0.000) 5.850 3.295 ( -4.791 -0.714 0.000) 4.843 3.295 ( -4.791 0.714 0.000) 4.843 3.484 ( 2.471 -4.326 0.000) 4.982 3.484 ( 2.471 4.326 0.000) 4.982 3.673 ( -5.306 -2.130 0.000) 5.717 3.673 ( -5.306 2.130 0.000) 5.717 3.881 ( 2.701 -1.480 0.000) 3.080 3.881 ( 2.701 1.480 0.000) 3.080 3.908 ( 2.382 -5.693 0.000) 6.171 3.908 ( 2.382 5.693 0.000) 6.171 4.195 ( 1.081 -7.458 0.000) 7.536 4.195 ( 1.081 7.458 0.000) 7.536 4.375 ( -3.441 -7.926 0.000) 8.641 4.375 ( -3.441 7.926 0.000) 8.641 4.786 ( 1.209 -1.761 0.000) 2.136 4.786 ( 1.209 1.761 0.000) 2.136 4.796 ( -2.318 -1.704 0.000) 2.877 4.796 ( -2.318 1.704 0.000) 2.877 4.926 ( -2.130 -3.155 0.000) 3.807 4.926 ( -2.130 3.155 0.000) 3.807 5.043 ( -2.631 -1.876 0.000) 3.231 5.043 ( -2.631 1.876 0.000) 3.231 5.403 ( -1.200 -3.280 0.000) 3.492 5.403 ( -1.200 3.280 0.000) 3.492 5.475 ( -3.575 -2.309 0.000) 4.256 5.475 ( -3.575 2.309 0.000) 4.256 5.559 ( 0.499 -0.815 0.000) 0.956 5.559 ( 0.499 0.815 0.000) 0.956 5.572 ( 0.935 -0.545 0.000) 1.082 5.572 ( 0.935 0.545 0.000) 1.082 6.116 ( 14.249 -6.085 0.000) 15.494 6.116 ( 14.249 6.085 0.000) 15.494 6.588 ( 0.412 -0.923 0.000) 1.011 6.588 ( 0.412 0.923 0.000) 1.011 6.743 ( -7.086 -0.314 0.000) 7.093 6.743 ( -7.086 0.314 0.000) 7.093 6.901 ( -7.279 -2.198 0.000) 7.604 6.901 ( -7.279 2.198 0.000) 7.604 7.475 ( 3.327 -0.096 0.000) 3.328 7.475 ( 3.327 0.096 0.000) 3.328 7.600 ( -2.191 -3.423 0.000) 4.064 7.600 ( -2.191 3.423 0.000) 4.064 7.686 ( -0.385 -3.353 0.000) 3.375 7.686 ( -0.385 3.353 0.000) 3.375 7.757 ( 0.538 -1.141 0.000) 1.261 7.757 ( 0.538 1.141 0.000) 1.261 8.252 ( 0.392 -5.138 0.000) 5.153 8.252 ( 0.392 5.138 0.000) 5.153 8.391 ( 0.186 -1.895 0.000) 1.904 8.391 ( 0.186 1.895 0.000) 1.904 8.416 ( -0.785 -0.495 0.000) 0.928 8.416 ( -0.785 0.495 0.000) 0.928 8.488 ( -3.022 -0.976 0.000) 3.176 8.488 ( -3.022 0.976 0.000) 3.176 8.971 ( 6.401 -1.084 0.000) 6.492 8.971 ( 6.401 1.084 0.000) 6.492 9.469 ( -7.854 -0.707 0.000) 7.886 9.469 ( -7.854 0.707 0.000) 7.886 10.347 ( 3.711 -0.395 0.000) 3.732 10.347 ( 3.711 0.395 0.000) 3.732 10.456 ( 1.624 -2.642 0.000) 3.101 10.456 ( 1.624 2.642 0.000) 3.101 ======================= Grid point 20 (12/48) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 3.300 -4.379 0.000) 5.484 0.650 ( 3.300 4.379 0.000) 5.484 0.693 ( -0.656 -0.937 0.000) 1.144 0.693 ( -0.656 0.937 0.000) 1.144 0.789 ( 1.649 -2.465 0.000) 2.966 0.789 ( 1.649 2.465 0.000) 2.966 0.819 ( -1.407 -0.643 0.000) 1.548 0.819 ( -1.407 0.643 0.000) 1.548 0.954 ( 2.779 -2.685 0.000) 3.865 0.954 ( 2.779 2.685 0.000) 3.865 0.964 ( 1.695 -2.794 0.000) 3.269 0.964 ( 1.695 2.794 0.000) 3.269 1.063 ( 0.658 -1.413 0.000) 1.559 1.063 ( 0.658 1.413 0.000) 1.559 1.106 ( -3.000 -1.401 0.000) 3.311 1.106 ( -3.000 1.401 0.000) 3.311 1.207 ( 2.654 -1.323 0.000) 2.966 1.207 ( 2.654 1.323 0.000) 2.966 1.248 ( -1.176 -3.356 0.000) 3.556 1.248 ( -1.176 3.356 0.000) 3.556 1.350 ( -0.371 -1.878 0.000) 1.915 1.350 ( -0.371 1.878 0.000) 1.915 1.359 ( -1.525 -0.382 0.000) 1.572 1.359 ( -1.525 0.382 0.000) 1.572 1.506 ( 8.472 -1.539 0.000) 8.611 1.506 ( 8.472 1.539 0.000) 8.611 1.623 ( 10.330 -1.039 0.000) 10.382 1.623 ( 10.330 1.039 0.000) 10.382 1.644 ( -6.767 -0.821 0.000) 6.816 1.644 ( -6.767 0.821 0.000) 6.816 1.833 ( -9.405 -1.635 0.000) 9.546 1.833 ( -9.405 1.635 0.000) 9.546 2.135 ( 1.418 -0.677 0.000) 1.572 2.135 ( 1.418 0.677 0.000) 1.572 2.156 ( 0.353 -3.063 0.000) 3.083 2.156 ( 0.353 3.063 0.000) 3.083 2.411 ( 3.169 -1.021 0.000) 3.329 2.411 ( 3.169 1.021 0.000) 3.329 2.513 ( -6.428 -0.571 0.000) 6.453 2.513 ( -6.428 0.571 0.000) 6.453 3.014 ( 6.794 -5.247 0.000) 8.584 3.014 ( 6.794 5.247 0.000) 8.584 3.125 ( -2.671 -4.973 0.000) 5.644 3.125 ( -2.671 4.973 0.000) 5.644 3.185 ( -1.972 -4.835 0.000) 5.222 3.185 ( -1.972 4.835 0.000) 5.222 3.196 ( -4.091 -2.739 0.000) 4.923 3.196 ( -4.091 2.739 0.000) 4.923 3.537 ( 2.637 -2.859 0.000) 3.890 3.537 ( 2.637 2.859 0.000) 3.890 3.589 ( -3.102 -0.974 0.000) 3.251 3.589 ( -3.102 0.974 0.000) 3.251 3.926 ( 1.675 -3.372 0.000) 3.765 3.926 ( 1.675 3.372 0.000) 3.765 3.939 ( 0.503 -5.093 0.000) 5.118 3.939 ( 0.503 5.093 0.000) 5.118 4.225 ( 2.337 -8.470 0.000) 8.787 4.225 ( 2.337 8.470 0.000) 8.787 4.293 ( -4.343 -8.663 0.000) 9.691 4.293 ( -4.343 8.663 0.000) 9.691 4.781 ( 0.488 -1.064 0.000) 1.171 4.781 ( 0.488 1.064 0.000) 1.171 4.796 ( -0.443 -2.110 0.000) 2.156 4.796 ( -0.443 2.110 0.000) 2.156 4.918 ( 1.714 -4.119 0.000) 4.462 4.918 ( 1.714 4.119 0.000) 4.462 4.979 ( -3.751 -3.321 0.000) 5.009 4.979 ( -3.751 3.321 0.000) 5.009 5.388 ( -0.064 -3.717 0.000) 3.717 5.388 ( -0.064 3.717 0.000) 3.717 5.408 ( -2.299 -2.792 0.000) 3.617 5.408 ( -2.299 2.792 0.000) 3.617 5.581 ( 0.943 -2.113 0.000) 2.314 5.581 ( 0.943 2.113 0.000) 2.314 5.587 ( 0.366 -1.841 0.000) 1.878 5.587 ( 0.366 1.841 0.000) 1.878 6.374 ( 11.680 -2.427 0.000) 11.930 6.374 ( 11.680 2.427 0.000) 11.930 6.578 ( -9.439 -2.871 0.000) 9.865 6.578 ( -9.439 2.871 0.000) 9.865 6.639 ( 4.759 -2.090 0.000) 5.197 6.639 ( 4.759 2.090 0.000) 5.197 6.760 ( -7.045 -2.723 0.000) 7.553 6.760 ( -7.045 2.723 0.000) 7.553 7.527 ( 1.943 -1.646 0.000) 2.546 7.527 ( 1.943 1.646 0.000) 2.546 7.561 ( -1.748 -2.807 0.000) 3.306 7.561 ( -1.748 2.807 0.000) 3.306 7.699 ( 1.619 -2.244 0.000) 2.767 7.699 ( 1.619 2.244 0.000) 2.767 7.738 ( -1.973 -0.805 0.000) 2.131 7.738 ( -1.973 0.805 0.000) 2.131 8.301 ( 3.677 -3.079 0.000) 4.795 8.301 ( 3.677 3.079 0.000) 4.795 8.368 ( -2.582 -2.235 0.000) 3.415 8.368 ( -2.582 2.235 0.000) 3.415 8.413 ( 0.537 -0.887 0.000) 1.037 8.413 ( 0.537 0.887 0.000) 1.037 8.437 ( -1.953 -1.231 0.000) 2.309 8.437 ( -1.953 1.231 0.000) 2.309 9.119 ( 8.538 -1.047 0.000) 8.602 9.119 ( 8.538 1.047 0.000) 8.602 9.297 ( -9.304 -0.878 0.000) 9.346 9.297 ( -9.304 0.878 0.000) 9.346 10.417 ( 3.086 -0.916 0.000) 3.219 10.417 ( 3.086 0.916 0.000) 3.219 10.459 ( -1.109 -1.681 0.000) 2.013 10.459 ( -1.109 1.681 0.000) 2.013 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( 0.000 0.000 12.338) 12.338 0.284 ( 0.000 0.000 12.492) 12.492 0.357 ( 0.000 0.000 10.473) 10.473 0.475 ( 0.000 0.000 21.536) 21.536 0.522 ( 0.000 0.000 1.964) 1.964 0.773 ( 0.000 0.000 0.393) 0.393 0.789 ( 0.000 0.000 2.854) 2.854 0.795 ( 0.000 0.000 -4.298) 4.298 0.813 ( 0.000 0.000 1.555) 1.555 0.829 ( 0.000 0.000 1.508) 1.508 0.864 ( 0.000 0.000 2.017) 2.017 0.913 ( 0.000 0.000 0.911) 0.911 0.943 ( 0.000 0.000 0.746) 0.746 0.957 ( 0.000 0.000 0.700) 0.700 1.017 ( 0.000 0.000 -2.331) 2.331 1.049 ( 0.000 0.000 -0.171) 0.171 1.115 ( 0.000 0.000 -0.894) 0.894 1.137 ( 0.000 0.000 0.431) 0.431 1.176 ( 0.000 0.000 -1.907) 1.907 1.190 ( 0.000 0.000 -2.883) 2.883 1.239 ( 0.000 0.000 0.369) 0.369 1.251 ( 0.000 0.000 4.679) 4.679 1.318 ( 0.000 0.000 0.583) 0.583 1.341 ( 0.000 0.000 1.046) 1.046 1.404 ( 0.000 0.000 -0.102) 0.102 1.422 ( 0.000 0.000 -1.938) 1.938 1.429 ( 0.000 0.000 -0.308) 0.308 1.709 ( 0.000 0.000 -2.557) 2.557 1.818 ( 0.000 0.000 3.446) 3.446 1.858 ( 0.000 0.000 1.109) 1.109 1.885 ( 0.000 0.000 0.115) 0.115 1.918 ( 0.000 0.000 0.336) 0.336 2.013 ( 0.000 0.000 -0.783) 0.783 2.042 ( 0.000 0.000 -0.625) 0.625 2.142 ( 0.000 0.000 -0.593) 0.593 2.249 ( 0.000 0.000 -4.766) 4.766 2.543 ( 0.000 0.000 9.509) 9.509 2.611 ( 0.000 0.000 4.574) 4.574 2.644 ( 0.000 0.000 2.557) 2.557 2.899 ( 0.000 0.000 1.777) 1.777 2.904 ( 0.000 0.000 -6.311) 6.311 2.954 ( 0.000 0.000 4.631) 4.631 3.019 ( 0.000 0.000 -3.078) 3.078 3.108 ( 0.000 0.000 -11.965) 11.965 3.169 ( 0.000 0.000 -0.178) 0.178 3.308 ( 0.000 0.000 5.271) 5.271 3.373 ( 0.000 0.000 -1.336) 1.336 3.433 ( 0.000 0.000 1.405) 1.405 3.509 ( 0.000 0.000 0.611) 0.611 3.569 ( 0.000 0.000 13.143) 13.143 3.691 ( 0.000 0.000 -1.797) 1.797 3.853 ( 0.000 0.000 14.203) 14.203 3.892 ( 0.000 0.000 2.867) 2.867 3.900 ( 0.000 0.000 1.071) 1.071 3.981 ( 0.000 0.000 3.863) 3.863 4.032 ( 0.000 0.000 1.037) 1.037 4.072 ( 0.000 0.000 3.055) 3.055 4.185 ( 0.000 0.000 6.820) 6.820 4.346 ( 0.000 0.000 -12.443) 12.443 4.418 ( 0.000 0.000 3.312) 3.312 4.674 ( 0.000 0.000 -9.778) 9.778 4.765 ( 0.000 0.000 4.348) 4.348 4.811 ( 0.000 0.000 -0.903) 0.903 4.857 ( 0.000 0.000 -10.419) 10.419 4.896 ( 0.000 0.000 -3.795) 3.795 4.906 ( 0.000 0.000 -0.185) 0.185 4.959 ( 0.000 0.000 -1.762) 1.762 5.132 ( 0.000 0.000 1.892) 1.892 5.211 ( 0.000 0.000 4.089) 4.089 5.425 ( 0.000 0.000 -1.994) 1.994 5.433 ( 0.000 0.000 1.301) 1.301 5.468 ( 0.000 0.000 -2.356) 2.356 5.549 ( 0.000 0.000 -1.043) 1.043 5.612 ( 0.000 0.000 1.488) 1.488 5.628 ( 0.000 0.000 6.292) 6.292 5.665 ( 0.000 0.000 7.115) 7.115 5.765 ( 0.000 0.000 -6.911) 6.911 6.182 ( 0.000 0.000 -2.490) 2.490 6.215 ( 0.000 0.000 -4.636) 4.636 6.409 ( 0.000 0.000 -9.651) 9.651 6.878 ( 0.000 0.000 3.096) 3.096 7.055 ( 0.000 0.000 1.030) 1.030 7.122 ( 0.000 0.000 2.414) 2.414 7.135 ( 0.000 0.000 0.541) 0.541 7.343 ( 0.000 0.000 1.783) 1.783 7.532 ( 0.000 0.000 1.276) 1.276 7.540 ( 0.000 0.000 0.340) 0.340 7.548 ( 0.000 0.000 -1.756) 1.756 7.703 ( 0.000 0.000 4.389) 4.389 7.731 ( 0.000 0.000 5.469) 5.469 7.785 ( 0.000 0.000 2.264) 2.264 7.900 ( 0.000 0.000 0.350) 0.350 7.948 ( 0.000 0.000 1.024) 1.024 8.252 ( 0.000 0.000 -5.134) 5.134 8.345 ( 0.000 0.000 -4.864) 4.864 8.353 ( 0.000 0.000 -4.512) 4.512 8.420 ( 0.000 0.000 2.825) 2.825 8.556 ( 0.000 0.000 1.296) 1.296 8.599 ( 0.000 0.000 0.528) 0.528 8.605 ( 0.000 0.000 -0.337) 0.337 8.871 ( 0.000 0.000 5.854) 5.854 8.905 ( 0.000 0.000 4.457) 4.457 9.559 ( 0.000 0.000 -5.174) 5.174 9.591 ( 0.000 0.000 -5.651) 5.651 10.286 ( 0.000 0.000 2.606) 2.606 10.322 ( 0.000 0.000 1.983) 1.983 10.355 ( 0.000 0.000 2.367) 2.367 10.483 ( 0.000 0.000 -0.194) 0.194 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 7.765 0.000 6.923) 10.403 0.403 ( 5.407 0.000 8.487) 10.063 0.419 ( 10.951 0.000 8.324) 13.755 0.460 ( -2.586 0.000 2.396) 3.525 0.699 ( 12.727 0.000 10.115) 16.257 0.752 ( 3.256 0.000 -1.593) 3.625 0.773 ( 0.406 0.000 -2.353) 2.388 0.842 ( 4.518 0.000 -0.272) 4.526 0.881 ( 4.300 0.000 0.134) 4.303 0.882 ( 2.810 0.000 2.044) 3.474 0.925 ( 2.227 0.000 1.961) 2.968 0.968 ( 1.761 0.000 -0.504) 1.832 0.990 ( 3.292 0.000 0.508) 3.331 0.991 ( 2.346 0.000 -1.126) 2.602 1.006 ( 2.507 0.000 1.324) 2.835 1.024 ( 2.396 0.000 0.356) 2.422 1.119 ( -1.130 0.000 -1.301) 1.723 1.144 ( 2.042 0.000 -2.043) 2.888 1.170 ( -2.125 0.000 -1.097) 2.391 1.200 ( 0.111 0.000 -1.899) 1.902 1.230 ( 0.766 0.000 1.206) 1.429 1.287 ( -0.580 0.000 1.387) 1.504 1.299 ( 2.780 0.000 3.807) 4.714 1.359 ( 3.749 0.000 -0.207) 3.754 1.392 ( -0.762 0.000 0.070) 0.766 1.424 ( -0.045 0.000 -1.289) 1.290 1.466 ( 1.322 0.000 -0.895) 1.596 1.624 ( -7.553 0.000 -0.394) 7.563 1.797 ( 0.729 0.000 1.134) 1.348 1.851 ( 0.058 0.000 0.822) 0.824 1.951 ( 2.155 0.000 -0.010) 2.155 1.969 ( -1.745 0.000 -1.642) 2.396 2.024 ( 6.708 0.000 0.626) 6.737 2.031 ( -0.575 0.000 -0.406) 0.704 2.112 ( -3.389 0.000 -0.759) 3.473 2.194 ( -3.357 0.000 -2.761) 4.347 2.491 ( -6.646 0.000 4.789) 8.192 2.519 ( -1.472 0.000 7.684) 7.824 2.745 ( 3.292 0.000 1.025) 3.448 2.840 ( -6.018 0.000 3.428) 6.926 2.860 ( -2.248 0.000 3.168) 3.885 2.964 ( 0.022 0.000 -4.802) 4.802 3.042 ( 1.335 0.000 -1.036) 1.689 3.086 ( -1.419 0.000 -10.033) 10.133 3.180 ( 1.750 0.000 -1.647) 2.403 3.326 ( 0.765 0.000 5.976) 6.025 3.397 ( 1.915 0.000 -0.826) 2.086 3.414 ( -1.788 0.000 2.203) 2.838 3.477 ( -3.672 0.000 -0.158) 3.675 3.586 ( 0.933 0.000 9.268) 9.315 3.641 ( -4.225 0.000 3.029) 5.199 3.814 ( -2.534 0.000 2.609) 3.637 3.866 ( -1.394 0.000 6.510) 6.657 3.915 ( 0.884 0.000 5.072) 5.148 4.009 ( -0.642 0.000 3.416) 3.476 4.025 ( 1.494 0.000 0.643) 1.627 4.061 ( -0.312 0.000 1.658) 1.687 4.185 ( -0.411 0.000 6.517) 6.530 4.375 ( 2.743 0.000 -11.809) 12.123 4.401 ( 0.261 0.000 4.182) 4.190 4.677 ( -0.209 0.000 -10.259) 10.261 4.776 ( -5.045 0.000 -2.788) 5.764 4.785 ( 1.637 0.000 3.208) 3.601 4.822 ( -2.918 0.000 -1.273) 3.184 4.849 ( -0.641 0.000 -7.784) 7.810 4.914 ( -0.680 0.000 -0.992) 1.203 4.945 ( -0.972 0.000 -1.845) 2.086 5.103 ( -2.651 0.000 1.568) 3.080 5.303 ( 6.545 0.000 1.119) 6.640 5.386 ( -2.068 0.000 0.194) 2.077 5.463 ( 1.393 0.000 -0.287) 1.422 5.505 ( 2.163 0.000 -2.169) 3.063 5.559 ( 1.567 0.000 -0.403) 1.619 5.621 ( -4.791 0.000 3.837) 6.138 5.656 ( 0.271 0.000 5.583) 5.590 5.707 ( 9.932 0.000 2.718) 10.297 5.727 ( -3.243 0.000 -3.493) 4.766 6.182 ( -1.287 0.000 -3.500) 3.729 6.380 ( 10.903 0.000 -12.738) 16.767 6.465 ( 4.020 0.000 -8.163) 9.099 6.894 ( 0.473 0.000 3.145) 3.181 6.960 ( -6.867 0.000 3.986) 7.940 7.027 ( -8.319 0.000 3.250) 8.931 7.083 ( -5.379 0.000 1.070) 5.485 7.395 ( 4.339 0.000 0.708) 4.396 7.517 ( -1.966 0.000 -1.917) 2.746 7.545 ( 1.148 0.000 0.727) 1.359 7.550 ( 0.664 0.000 0.401) 0.776 7.717 ( 1.545 0.000 3.279) 3.624 7.759 ( -2.427 0.000 2.118) 3.221 7.821 ( 2.299 0.000 3.147) 3.897 7.877 ( -2.273 0.000 0.289) 2.291 7.938 ( 2.549 0.000 0.595) 2.618 8.274 ( 1.840 0.000 -4.823) 5.162 8.315 ( -1.271 0.000 -3.604) 3.822 8.382 ( 1.266 0.000 -4.219) 4.405 8.407 ( -0.462 0.000 2.017) 2.069 8.533 ( -2.292 0.000 1.040) 2.517 8.551 ( -3.733 0.000 2.179) 4.322 8.572 ( -2.595 0.000 0.408) 2.627 8.905 ( 3.371 0.000 5.678) 6.603 8.942 ( 3.641 0.000 4.645) 5.902 9.566 ( -2.809 0.000 -4.118) 4.984 9.567 ( -1.784 0.000 -2.889) 3.396 10.288 ( -0.113 0.000 1.060) 1.066 10.288 ( 0.743 0.000 1.206) 1.416 10.379 ( 1.891 0.000 1.666) 2.520 10.511 ( 0.796 0.000 -2.154) 2.296 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 3.292 0.000 2.254) 3.990 0.510 ( 7.861 0.000 2.451) 8.235 0.576 ( 10.564 0.000 4.132) 11.343 0.626 ( 8.822 0.000 5.055) 10.167 0.769 ( 1.552 0.000 -4.465) 4.727 0.796 ( 1.270 0.000 -2.284) 2.614 0.852 ( 0.352 0.000 1.380) 1.424 0.902 ( -2.458 0.000 0.442) 2.498 0.927 ( 0.312 0.000 -1.177) 1.217 0.940 ( -1.516 0.000 0.054) 1.517 0.955 ( -2.170 0.000 -1.210) 2.484 0.973 ( 5.376 0.000 0.331) 5.387 1.024 ( 1.630 0.000 0.095) 1.633 1.082 ( 1.101 0.000 -0.523) 1.219 1.101 ( 14.341 0.000 3.121) 14.677 1.111 ( -0.603 0.000 -2.465) 2.538 1.133 ( 0.015 0.000 0.881) 0.881 1.159 ( 7.895 0.000 1.734) 8.083 1.188 ( -0.214 0.000 -0.014) 0.215 1.238 ( 2.009 0.000 1.177) 2.329 1.255 ( 5.130 0.000 -2.537) 5.723 1.320 ( -2.478 0.000 0.247) 2.490 1.356 ( 2.879 0.000 1.105) 3.083 1.373 ( 0.421 0.000 -0.057) 0.425 1.413 ( 2.232 0.000 0.002) 2.232 1.458 ( -2.120 0.000 0.440) 2.165 1.459 ( 6.112 0.000 0.325) 6.120 1.530 ( 0.140 0.000 -0.858) 0.869 1.755 ( -4.995 0.000 0.725) 5.047 1.847 ( -1.583 0.000 0.920) 1.830 1.892 ( -6.653 0.000 0.183) 6.655 1.993 ( -0.967 0.000 -1.178) 1.524 2.013 ( -3.182 0.000 -1.216) 3.407 2.051 ( 3.997 0.000 -2.094) 4.512 2.142 ( -1.942 0.000 -2.057) 2.829 2.166 ( 5.108 0.000 -1.616) 5.358 2.389 ( -2.428 0.000 5.929) 6.407 2.487 ( -1.632 0.000 5.694) 5.923 2.674 ( -6.952 0.000 1.258) 7.065 2.695 ( -8.128 0.000 5.354) 9.733 2.919 ( 5.577 0.000 2.922) 6.296 2.963 ( 0.318 0.000 -1.561) 1.594 3.052 ( -0.556 0.000 0.089) 0.563 3.073 ( 0.240 0.000 -6.840) 6.844 3.228 ( 2.752 0.000 -2.652) 3.822 3.335 ( 0.025 0.000 3.843) 3.843 3.368 ( -5.067 0.000 0.912) 5.149 3.378 ( -3.384 0.000 1.389) 3.658 3.436 ( 2.200 0.000 -0.895) 2.375 3.537 ( -5.769 0.000 5.416) 7.913 3.575 ( -1.910 0.000 3.096) 3.638 3.761 ( -7.981 0.000 3.237) 8.613 3.819 ( 2.415 0.000 3.382) 4.156 3.929 ( 0.255 0.000 4.951) 4.957 4.035 ( 2.446 0.000 1.672) 2.963 4.048 ( 1.333 0.000 2.799) 3.100 4.080 ( 1.780 0.000 1.480) 2.315 4.166 ( -1.449 0.000 6.936) 7.086 4.432 ( 2.528 0.000 2.584) 3.615 4.442 ( 3.843 0.000 -11.025) 11.676 4.645 ( -2.990 0.000 -10.886) 11.290 4.660 ( -5.613 0.000 -3.315) 6.519 4.787 ( -1.324 0.000 -1.259) 1.828 4.814 ( 1.014 0.000 -0.520) 1.140 4.836 ( -0.622 0.000 -1.956) 2.053 4.877 ( -2.989 0.000 0.007) 2.989 4.945 ( 1.152 0.000 -1.158) 1.633 5.047 ( -2.581 0.000 0.740) 2.685 5.351 ( -1.456 0.000 1.139) 1.848 5.393 ( 3.206 0.000 -0.605) 3.262 5.484 ( -2.023 0.000 0.745) 2.156 5.498 ( -3.803 0.000 -0.036) 3.804 5.542 ( 0.830 0.000 -1.250) 1.501 5.586 ( 0.867 0.000 0.868) 1.226 5.651 ( 0.052 0.000 3.234) 3.234 5.658 ( -3.703 0.000 0.879) 3.806 6.002 ( 18.562 0.000 2.597) 18.743 6.211 ( 4.521 0.000 -1.195) 4.677 6.531 ( 5.773 0.000 -8.513) 10.286 6.540 ( 3.745 0.000 -5.376) 6.552 6.827 ( -6.396 0.000 2.295) 6.795 6.828 ( -11.403 0.000 3.348) 11.884 6.859 ( -4.775 0.000 4.031) 6.248 6.942 ( -8.415 0.000 1.404) 8.531 7.490 ( -0.554 0.000 -1.768) 1.853 7.491 ( 5.143 0.000 -0.062) 5.143 7.557 ( -0.276 0.000 1.221) 1.252 7.571 ( 1.443 0.000 -0.254) 1.465 7.704 ( -2.802 0.000 2.149) 3.531 7.741 ( 0.563 0.000 1.100) 1.236 7.794 ( -2.194 0.000 2.584) 3.390 7.817 ( -3.742 0.000 0.202) 3.748 8.065 ( 7.926 0.000 0.483) 7.941 8.305 ( 0.404 0.000 -1.862) 1.905 8.311 ( 1.670 0.000 -2.883) 3.332 8.398 ( 0.426 0.000 -2.846) 2.878 8.404 ( -0.181 0.000 0.031) 0.184 8.473 ( -3.526 0.000 0.705) 3.596 8.487 ( -2.609 0.000 1.770) 3.153 8.510 ( -3.329 0.000 0.124) 3.331 8.998 ( 6.018 0.000 5.086) 7.880 9.041 ( 6.214 0.000 4.516) 7.682 9.472 ( -7.260 0.000 0.848) 7.309 9.477 ( -6.149 0.000 -1.020) 6.233 10.322 ( 2.470 0.000 -0.938) 2.642 10.329 ( 3.623 0.000 -1.896) 4.089 10.409 ( 0.879 0.000 -0.059) 0.881 10.507 ( -1.079 0.000 -2.376) 2.609 ======================= Grid point 38 (16/48) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 7.772 0.000 0.772) 7.810 0.661 ( 7.094 0.000 -1.618) 7.276 0.711 ( -4.393 0.000 -1.197) 4.554 0.770 ( 3.781 0.000 -0.798) 3.864 0.777 ( 0.857 0.000 0.010) 0.857 0.778 ( 3.514 0.000 3.698) 5.101 0.841 ( -1.970 0.000 2.282) 3.015 0.878 ( 1.020 0.000 -0.857) 1.332 0.882 ( -2.722 0.000 0.451) 2.759 0.908 ( -1.645 0.000 -0.752) 1.808 0.975 ( 2.498 0.000 -0.752) 2.609 1.029 ( -2.347 0.000 1.615) 2.849 1.076 ( 5.283 0.000 -0.056) 5.283 1.080 ( 0.738 0.000 0.348) 0.816 1.101 ( -0.443 0.000 -1.683) 1.740 1.133 ( -0.845 0.000 -0.627) 1.052 1.166 ( -3.866 0.000 0.316) 3.879 1.166 ( -3.138 0.000 0.645) 3.203 1.266 ( 3.488 0.000 1.601) 3.838 1.271 ( 3.184 0.000 -1.216) 3.408 1.310 ( 0.001 0.000 -1.380) 1.380 1.350 ( 2.971 0.000 -0.345) 2.991 1.372 ( -5.432 0.000 1.348) 5.596 1.374 ( 0.267 0.000 0.609) 0.665 1.500 ( 12.806 0.000 0.768) 12.829 1.527 ( 5.656 0.000 0.116) 5.657 1.595 ( 5.631 0.000 -0.730) 5.678 1.635 ( 10.765 0.000 -1.050) 10.816 1.641 ( -5.822 0.000 0.353) 5.833 1.739 ( -8.189 0.000 0.433) 8.201 1.741 ( -9.476 0.000 0.465) 9.487 1.840 ( -9.345 0.000 -1.657) 9.491 2.072 ( 3.500 0.000 -1.787) 3.930 2.117 ( -1.141 0.000 -0.915) 1.463 2.128 ( 3.318 0.000 -2.097) 3.925 2.182 ( -2.103 0.000 -2.054) 2.939 2.435 ( 5.452 0.000 4.238) 6.905 2.476 ( 1.165 0.000 5.586) 5.706 2.547 ( -5.882 0.000 3.076) 6.638 2.549 ( -6.138 0.000 5.188) 8.036 2.982 ( 1.651 0.000 1.226) 2.057 3.022 ( -2.157 0.000 1.278) 2.508 3.023 ( 4.822 0.000 1.310) 4.997 3.085 ( -0.395 0.000 -3.057) 3.083 3.269 ( -2.297 0.000 -0.325) 2.320 3.280 ( 2.494 0.000 -2.133) 3.282 3.310 ( -4.599 0.000 -1.363) 4.797 3.321 ( -1.505 0.000 -0.026) 1.505 3.483 ( 2.484 0.000 -1.256) 2.783 3.489 ( 2.217 0.000 7.388) 7.713 3.531 ( -2.372 0.000 -0.105) 2.374 3.598 ( -7.830 0.000 5.375) 9.497 3.875 ( 2.776 0.000 3.542) 4.500 3.917 ( -1.426 0.000 4.030) 4.274 4.083 ( 2.019 0.000 -0.072) 2.020 4.084 ( 2.290 0.000 5.846) 6.278 4.103 ( 0.144 0.000 0.560) 0.578 4.130 ( -2.197 0.000 7.116) 7.447 4.492 ( 3.445 0.000 0.319) 3.460 4.515 ( 3.418 0.000 -10.578) 11.117 4.565 ( -4.126 0.000 -2.196) 4.674 4.579 ( -3.347 0.000 -10.398) 10.923 4.776 ( 0.533 0.000 -0.553) 0.768 4.813 ( -3.024 0.000 0.416) 3.052 4.820 ( 0.227 0.000 -1.756) 1.771 4.830 ( -0.414 0.000 -1.147) 1.220 4.978 ( 1.854 0.000 0.155) 1.861 5.009 ( -1.441 0.000 0.272) 1.466 5.335 ( 0.102 0.000 1.824) 1.827 5.374 ( -4.173 0.000 1.467) 4.423 5.453 ( 3.143 0.000 -0.024) 3.143 5.514 ( -2.839 0.000 0.746) 2.935 5.526 ( 2.420 0.000 0.631) 2.500 5.585 ( -3.538 0.000 1.146) 3.719 5.619 ( 2.031 0.000 -0.090) 2.033 5.648 ( -0.749 0.000 0.320) 0.814 6.355 ( 9.853 0.000 0.833) 9.888 6.365 ( 17.324 0.000 1.913) 17.429 6.565 ( -8.671 0.000 0.903) 8.717 6.622 ( -0.353 0.000 -2.225) 2.253 6.656 ( 2.042 0.000 -0.794) 2.191 6.676 ( -6.188 0.000 0.403) 6.201 6.745 ( -5.537 0.000 0.282) 5.544 6.777 ( -7.906 0.000 0.112) 7.907 7.498 ( 1.352 0.000 0.033) 1.352 7.534 ( -1.881 0.000 1.503) 2.407 7.574 ( 2.775 0.000 0.324) 2.794 7.600 ( 0.707 0.000 -1.198) 1.391 7.672 ( 0.778 0.000 2.065) 2.207 7.736 ( -4.300 0.000 0.385) 4.317 7.747 ( 0.499 0.000 0.205) 0.540 7.764 ( -1.105 0.000 0.951) 1.458 8.213 ( 6.720 0.000 0.322) 6.728 8.310 ( -2.666 0.000 -0.222) 2.675 8.331 ( 2.198 0.000 -0.597) 2.278 8.384 ( -2.650 0.000 -0.546) 2.705 8.409 ( 1.317 0.000 -1.103) 1.718 8.426 ( 0.052 0.000 -0.578) 0.580 8.445 ( -1.953 0.000 -0.068) 1.954 8.453 ( -2.309 0.000 -0.288) 2.327 9.137 ( 8.093 0.000 4.040) 9.045 9.179 ( 7.737 0.000 3.514) 8.498 9.307 ( -8.995 0.000 2.664) 9.382 9.335 ( -7.944 0.000 1.657) 8.115 10.373 ( 2.468 0.000 -1.886) 3.106 10.407 ( 3.863 0.000 -2.712) 4.720 10.408 ( -0.991 0.000 -1.483) 1.784 10.471 ( -2.579 0.000 -2.664) 3.708 ======================= Grid point 42 (17/48) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 0.000 7.749 8.183) 11.270 0.376 ( 0.000 8.602 9.072) 12.502 0.450 ( 0.000 8.648 6.329) 10.717 0.557 ( 0.000 1.426 3.315) 3.608 0.611 ( 0.000 11.289 12.536) 16.870 0.695 ( 0.000 -6.481 4.217) 7.732 0.741 ( 0.000 -4.938 0.150) 4.940 0.784 ( 0.000 -0.832 -3.248) 3.353 0.832 ( 0.000 0.639 0.358) 0.733 0.851 ( 0.000 1.760 2.091) 2.733 0.870 ( 0.000 1.066 1.285) 1.669 0.903 ( 0.000 -0.364 1.121) 1.178 0.944 ( 0.000 0.038 1.218) 1.219 0.965 ( 0.000 0.430 2.956) 2.987 0.987 ( 0.000 0.544 -2.591) 2.648 1.090 ( 0.000 -2.651 -0.853) 2.784 1.104 ( 0.000 1.705 -1.598) 2.337 1.134 ( 0.000 -0.636 0.523) 0.823 1.134 ( 0.000 -2.383 -2.300) 3.312 1.166 ( 0.000 -3.073 -1.352) 3.357 1.241 ( 0.000 -0.330 4.429) 4.442 1.258 ( 0.000 1.647 0.349) 1.683 1.307 ( 0.000 -0.887 0.464) 1.001 1.308 ( 0.000 -2.435 1.357) 2.788 1.418 ( 0.000 1.266 -1.037) 1.637 1.431 ( 0.000 0.724 -1.631) 1.784 1.495 ( 0.000 5.108 -0.807) 5.171 1.681 ( 0.000 -3.306 -2.290) 4.021 1.797 ( 0.000 -1.449 3.194) 3.507 1.831 ( 0.000 -2.273 1.657) 2.813 1.889 ( 0.000 0.379 0.148) 0.407 1.913 ( 0.000 -0.613 0.364) 0.713 2.021 ( 0.000 0.732 -0.496) 0.884 2.038 ( 0.000 -0.267 -0.504) 0.570 2.159 ( 0.000 1.481 -1.085) 1.836 2.206 ( 0.000 -2.020 -2.781) 3.438 2.538 ( 0.000 0.597 8.303) 8.325 2.610 ( 0.000 -2.982 3.914) 4.921 2.706 ( 0.000 4.760 -1.033) 4.871 2.856 ( 0.000 -4.332 -5.861) 7.288 2.898 ( 0.000 0.613 0.431) 0.749 3.009 ( 0.000 -2.643 -6.657) 7.162 3.009 ( 0.000 5.557 5.984) 8.166 3.143 ( 0.000 3.889 -3.784) 5.426 3.215 ( 0.000 3.884 -0.142) 3.886 3.280 ( 0.000 -4.837 4.529) 6.626 3.380 ( 0.000 -0.657 3.309) 3.373 3.397 ( 0.000 1.865 -1.175) 2.204 3.506 ( 0.000 -0.545 1.043) 1.177 3.612 ( 0.000 0.196 9.434) 9.436 3.719 ( 0.000 1.944 -0.476) 2.001 3.756 ( 0.000 -5.661 4.038) 6.953 3.885 ( 0.000 -0.023 2.942) 2.942 3.908 ( 0.000 1.061 8.128) 8.197 3.910 ( 0.000 -2.643 6.819) 7.313 3.996 ( 0.000 -3.709 1.862) 4.150 4.152 ( 0.000 3.676 4.000) 5.433 4.240 ( 0.000 7.220 3.783) 8.151 4.299 ( 0.000 -3.734 -0.028) 3.734 4.415 ( 0.000 -0.466 -4.510) 4.534 4.722 ( 0.000 1.390 -7.830) 7.952 4.785 ( 0.000 -2.166 -2.572) 3.362 4.812 ( 0.000 -1.917 -2.041) 2.801 4.827 ( 0.000 -2.579 -8.765) 9.137 4.922 ( 0.000 1.820 -4.062) 4.451 4.934 ( 0.000 1.528 -1.050) 1.854 5.120 ( 0.000 13.448 -10.622) 17.136 5.158 ( 0.000 2.633 1.874) 3.232 5.258 ( 0.000 5.871 2.627) 6.432 5.424 ( 0.000 -0.189 -2.020) 2.029 5.424 ( 0.000 -0.691 -0.439) 0.819 5.478 ( 0.000 -0.261 -0.814) 0.855 5.550 ( 0.000 0.403 -0.021) 0.403 5.600 ( 0.000 -1.100 2.425) 2.662 5.622 ( 0.000 0.046 5.996) 5.996 5.650 ( 0.000 -1.452 5.391) 5.583 5.751 ( 0.000 -1.289 -6.443) 6.570 5.897 ( 0.000 -12.579 5.117) 13.580 6.431 ( 0.000 2.143 -10.260) 10.482 6.437 ( 0.000 6.405 -13.708) 15.130 6.891 ( 0.000 1.377 3.298) 3.574 6.975 ( 0.000 -4.264 3.760) 5.685 7.133 ( 0.000 1.034 2.425) 2.637 7.162 ( 0.000 0.299 1.216) 1.252 7.383 ( 0.000 1.748 3.248) 3.688 7.459 ( 0.000 -3.972 2.196) 4.539 7.550 ( 0.000 2.065 -3.129) 3.749 7.600 ( 0.000 2.449 -1.440) 2.841 7.695 ( 0.000 -0.317 4.060) 4.072 7.718 ( 0.000 -1.427 4.303) 4.533 7.786 ( 0.000 0.401 4.131) 4.150 7.857 ( 0.000 -2.620 4.311) 5.045 8.101 ( 0.000 9.189 -9.742) 13.392 8.245 ( 0.000 -0.895 -6.100) 6.166 8.347 ( 0.000 0.178 -4.717) 4.720 8.352 ( 0.000 -0.086 -4.324) 4.325 8.438 ( 0.000 1.895 2.414) 3.069 8.533 ( 0.000 -2.446 1.626) 2.938 8.596 ( 0.000 -0.480 0.681) 0.833 8.597 ( 0.000 -0.213 0.714) 0.745 8.877 ( 0.000 0.661 5.557) 5.596 8.902 ( 0.000 -0.421 4.593) 4.612 9.565 ( 0.000 0.636 -5.203) 5.242 9.589 ( 0.000 -0.334 -5.591) 5.601 10.289 ( 0.000 0.424 2.815) 2.847 10.333 ( 0.000 1.203 2.043) 2.370 10.337 ( 0.000 -1.876 3.351) 3.840 10.414 ( 0.000 -4.279 3.186) 5.335 ======================= Grid point 43 (18/48) ======================= q-point: ( 0.14 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 7.235 6.363 5.459) 11.074 0.475 ( 4.775 6.184 5.446) 9.524 0.491 ( 7.223 7.783 4.429) 11.505 0.528 ( -1.832 5.360 3.629) 6.728 0.688 ( 0.061 -4.340 -1.774) 4.689 0.763 ( 10.019 3.464 6.315) 12.339 0.767 ( 4.695 -3.106 -0.080) 5.629 0.813 ( 2.841 -0.644 -1.142) 3.129 0.881 ( 2.188 -0.167 1.774) 2.822 0.883 ( 3.447 0.949 1.188) 3.767 0.915 ( 2.826 -1.735 1.987) 3.865 0.940 ( 2.251 -0.950 0.636) 2.525 0.993 ( 2.213 1.616 -0.243) 2.751 0.995 ( 2.926 0.037 0.320) 2.944 1.009 ( 5.493 0.714 0.634) 5.576 1.063 ( -0.320 0.920 0.453) 1.074 1.107 ( -1.725 -2.604 -0.590) 3.179 1.132 ( -0.301 -0.674 -1.743) 1.893 1.145 ( 1.914 -1.851 -1.852) 3.243 1.150 ( 0.877 -2.247 -0.011) 2.412 1.255 ( -1.613 1.385 0.473) 2.178 1.287 ( 1.773 -0.420 2.677) 3.238 1.294 ( 2.942 -0.281 2.437) 3.830 1.339 ( 3.346 -1.569 0.151) 3.699 1.396 ( -1.151 1.071 -0.683) 1.714 1.448 ( 0.204 -0.262 -1.357) 1.397 1.491 ( -0.673 3.441 -1.290) 3.736 1.608 ( -6.419 -1.944 -0.937) 6.772 1.798 ( 0.980 0.386 1.349) 1.711 1.844 ( 0.653 -0.924 1.479) 1.862 1.944 ( 2.697 -0.128 -0.092) 2.701 1.978 ( -0.066 0.524 -1.321) 1.422 2.001 ( 5.104 -1.943 0.541) 5.488 2.019 ( -2.197 -1.036 -0.481) 2.477 2.130 ( -2.878 1.592 -1.213) 3.506 2.178 ( -2.318 -1.145 -2.604) 3.670 2.523 ( -1.999 1.099 5.271) 5.744 2.540 ( -6.100 1.936 4.138) 7.621 2.716 ( 0.197 -0.790 0.318) 0.874 2.814 ( -3.925 -3.985 -0.608) 5.626 2.887 ( -2.052 3.117 3.633) 5.209 2.953 ( 0.281 -0.743 -1.842) 2.006 3.063 ( 1.969 2.467 0.026) 3.157 3.135 ( -1.479 4.466 -5.402) 7.163 3.225 ( 0.900 2.857 -1.807) 3.498 3.280 ( 0.269 -4.137 5.480) 6.871 3.362 ( -1.600 -3.950 1.462) 4.506 3.393 ( -0.099 0.120 0.777) 0.792 3.482 ( -2.617 1.407 2.758) 4.054 3.622 ( -1.492 -2.017 7.093) 7.524 3.673 ( -2.289 4.831 2.784) 6.027 3.770 ( 0.262 -3.010 0.461) 3.056 3.864 ( -1.038 -0.952 2.119) 2.544 3.910 ( -0.483 -0.440 5.117) 5.159 3.919 ( -0.013 -1.798 4.752) 5.081 3.990 ( 1.423 -2.536 4.814) 5.624 4.151 ( -0.334 3.148 3.966) 5.074 4.252 ( 0.320 5.554 1.522) 5.768 4.322 ( 1.512 -3.195 0.911) 3.650 4.416 ( 0.522 -0.633 -5.119) 5.184 4.702 ( -3.566 1.520 -11.150) 11.805 4.743 ( -1.300 -0.292 -0.931) 1.625 4.784 ( -2.454 -2.221 -7.259) 7.977 4.817 ( -0.171 -1.534 0.769) 1.724 4.905 ( -1.526 2.418 -3.979) 4.900 4.930 ( -0.310 1.680 -0.925) 1.943 5.023 ( -4.542 8.708 -3.342) 10.375 5.126 ( -3.036 2.016 1.724) 4.031 5.338 ( 5.105 4.129 0.004) 6.566 5.398 ( -1.530 1.135 -0.064) 1.906 5.448 ( 1.204 -1.365 -0.708) 1.953 5.512 ( 1.940 -0.450 -2.013) 2.832 5.552 ( 0.502 -0.465 0.520) 0.859 5.591 ( -2.933 -2.274 2.244) 4.337 5.641 ( -0.243 -1.205 4.899) 5.050 5.687 ( -0.570 -2.791 0.849) 2.973 5.757 ( 7.716 3.891 -0.006) 8.641 6.036 ( 9.388 -11.270 -0.723) 14.685 6.425 ( 2.150 2.966 -10.489) 11.110 6.488 ( 2.559 0.966 -10.257) 10.616 6.885 ( -1.377 -0.700 3.567) 3.887 6.912 ( -5.163 -2.390 3.631) 6.750 7.052 ( -7.037 2.205 3.415) 8.127 7.111 ( -6.042 0.747 2.393) 6.542 7.405 ( 3.108 0.825 1.391) 3.504 7.474 ( 1.240 -3.524 1.567) 4.051 7.542 ( -0.588 2.342 -2.866) 3.747 7.600 ( -0.041 1.816 -1.208) 2.181 7.713 ( 1.457 -0.337 3.008) 3.359 7.739 ( -0.838 -2.218 2.228) 3.254 7.792 ( 1.532 -0.787 3.964) 4.322 7.834 ( -2.121 -2.095 3.927) 4.930 8.078 ( -0.604 8.922 -5.461) 10.478 8.257 ( 0.924 -1.851 -5.515) 5.890 8.327 ( -0.591 1.147 -3.527) 3.756 8.370 ( 0.822 -0.989 -3.262) 3.507 8.425 ( -0.598 1.694 1.435) 2.299 8.510 ( -2.103 -2.353 1.967) 3.719 8.550 ( -3.282 0.339 1.252) 3.529 8.571 ( -2.697 -0.330 0.646) 2.793 8.912 ( 3.400 0.699 5.459) 6.469 8.938 ( 3.596 -0.471 4.733) 5.963 9.561 ( -2.104 -0.178 -3.364) 3.972 9.567 ( -2.527 -0.191 -3.528) 4.344 10.288 ( 0.438 0.055 1.098) 1.184 10.290 ( 0.166 0.059 1.258) 1.270 10.386 ( 2.370 0.843 1.530) 2.945 10.468 ( 2.506 -3.589 -0.148) 4.380 ======================= Grid point 44 (19/48) ======================= q-point: ( 0.29 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 2.163 5.930 2.309) 6.721 0.578 ( 6.087 5.923 1.909) 8.705 0.597 ( 7.904 2.350 2.475) 8.610 0.648 ( 6.819 2.324 3.773) 8.132 0.720 ( 2.021 -3.900 -2.658) 5.134 0.814 ( 2.312 0.439 -2.003) 3.090 0.841 ( 0.096 -1.064 -0.183) 1.084 0.876 ( -0.163 -1.885 0.487) 1.953 0.905 ( -1.750 -2.021 0.580) 2.735 0.930 ( 0.124 -1.352 -0.479) 1.440 0.945 ( 1.360 -1.320 0.696) 2.019 0.968 ( 1.168 -0.593 0.038) 1.311 1.022 ( 1.398 0.158 -0.562) 1.515 1.079 ( 0.152 -1.052 -0.734) 1.291 1.102 ( 1.884 0.311 -0.897) 2.110 1.119 ( 2.628 -0.110 -0.512) 2.680 1.142 ( 5.237 1.082 -0.128) 5.349 1.157 ( 6.072 -0.019 0.950) 6.145 1.196 ( 6.696 0.040 2.331) 7.091 1.229 ( 0.131 1.218 0.449) 1.305 1.245 ( 6.071 0.228 -1.242) 6.201 1.331 ( 0.522 0.221 -0.172) 0.593 1.352 ( 2.672 -0.670 1.476) 3.125 1.393 ( -0.094 1.828 0.523) 1.904 1.402 ( 1.863 -1.887 -0.269) 2.666 1.447 ( 0.449 -1.136 0.599) 1.361 1.468 ( 1.751 1.485 -0.244) 2.309 1.523 ( 0.338 -0.824 -0.969) 1.316 1.761 ( -5.113 0.786 0.969) 5.263 1.817 ( -4.298 -2.170 1.186) 4.959 1.919 ( -4.143 1.789 -0.020) 4.513 1.981 ( -4.162 -2.013 -1.199) 4.776 2.017 ( 3.868 2.011 -1.131) 4.504 2.070 ( 0.904 1.679 -2.283) 2.975 2.127 ( 0.404 -1.632 -1.986) 2.602 2.145 ( 2.929 -2.189 -1.517) 3.959 2.422 ( -3.504 3.072 4.847) 6.724 2.488 ( -1.999 -0.109 5.279) 5.646 2.652 ( -5.495 -1.155 1.396) 5.786 2.687 ( -7.842 -1.778 2.007) 8.287 2.920 ( 4.027 1.736 5.262) 6.850 2.991 ( 3.094 0.108 -0.373) 3.119 3.081 ( -0.539 2.936 0.445) 3.018 3.094 ( -1.634 3.964 -4.530) 6.238 3.237 ( -0.345 -3.175 -1.634) 3.588 3.294 ( 0.526 1.066 1.714) 2.085 3.314 ( -3.016 -4.506 0.472) 5.443 3.393 ( -0.692 -4.513 4.139) 6.162 3.428 ( -1.678 3.532 2.884) 4.859 3.540 ( -3.957 0.509 2.396) 4.654 3.633 ( -2.926 4.019 1.905) 5.324 3.735 ( -5.697 -2.027 2.135) 6.413 3.836 ( 1.173 1.531 2.215) 2.937 3.933 ( 1.537 -0.397 4.195) 4.485 3.940 ( 2.625 -3.578 1.918) 4.834 4.034 ( 1.938 -2.555 3.617) 4.833 4.144 ( -0.087 3.471 4.012) 5.306 4.233 ( -2.131 5.980 1.718) 6.577 4.347 ( 1.309 -5.818 0.584) 5.992 4.435 ( 0.664 -3.755 -5.199) 6.448 4.636 ( -1.971 2.085 -7.400) 7.936 4.706 ( -2.477 2.301 -6.969) 7.746 4.764 ( -0.060 -1.192 -3.333) 3.541 4.813 ( -0.680 -1.925 -0.045) 2.043 4.865 ( -1.871 3.116 -1.688) 4.007 4.930 ( 0.003 2.507 -0.251) 2.520 4.964 ( -1.776 3.932 -1.616) 4.607 5.063 ( -2.964 1.098 0.698) 3.237 5.368 ( -1.245 1.730 1.055) 2.378 5.404 ( 1.864 1.226 -0.732) 2.348 5.466 ( 0.176 -2.408 -0.049) 2.415 5.479 ( -5.330 -0.877 -0.255) 5.408 5.548 ( 1.149 0.358 -0.844) 1.470 5.587 ( 1.211 -0.140 0.580) 1.349 5.624 ( -0.501 -2.379 3.432) 4.206 5.637 ( -2.708 -2.006 1.582) 3.723 6.039 ( 17.543 3.929 2.225) 18.115 6.196 ( 7.936 -2.105 -0.452) 8.223 6.504 ( 5.266 -1.378 -7.234) 9.054 6.537 ( 2.738 -1.350 -6.239) 6.946 6.784 ( -8.176 -1.421 2.888) 8.787 6.818 ( -5.671 -2.834 3.739) 7.360 6.888 ( -8.829 3.418 2.800) 9.873 6.959 ( -8.709 0.405 2.253) 9.005 7.487 ( 4.575 -0.386 0.240) 4.598 7.494 ( 0.680 -0.345 -0.084) 0.767 7.538 ( 0.265 0.708 -0.448) 0.879 7.599 ( -0.020 0.815 -1.114) 1.381 7.698 ( -2.286 -0.447 2.667) 3.541 7.732 ( 0.131 -0.965 0.912) 1.334 7.783 ( -2.042 -0.772 2.157) 3.069 7.798 ( -1.928 -1.322 1.257) 2.655 8.125 ( 5.114 5.436 -0.862) 7.513 8.281 ( 1.755 -2.208 -2.552) 3.803 8.330 ( 0.656 1.406 -2.400) 2.858 8.385 ( 0.694 -1.158 -2.263) 2.635 8.414 ( -0.836 0.877 0.010) 1.212 8.466 ( -2.179 -1.481 1.468) 3.016 8.482 ( -3.577 0.471 0.828) 3.701 8.508 ( -3.317 -0.380 0.290) 3.351 9.005 ( 6.033 0.762 4.964) 7.849 9.036 ( 6.173 -0.571 4.560) 7.696 9.472 ( -6.941 0.004 0.469) 6.957 9.476 ( -6.286 -0.124 -0.762) 6.334 10.323 ( 2.625 0.138 -1.062) 2.836 10.329 ( 3.424 -0.108 -1.729) 3.837 10.420 ( 0.869 1.171 -0.253) 1.480 10.487 ( -0.338 -1.918 -1.780) 2.638 ======================= Grid point 45 (20/48) ======================= q-point: ( 0.43 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 5.678 2.909 1.101) 6.474 0.683 ( 3.162 1.163 -0.964) 3.504 0.703 ( -1.611 -0.127 -1.064) 1.935 0.741 ( 2.211 -3.212 0.967) 4.017 0.753 ( 4.988 -0.193 1.607) 5.244 0.805 ( -1.180 0.940 0.209) 1.523 0.834 ( -1.490 -1.335 1.486) 2.492 0.849 ( -2.379 -1.654 0.565) 2.952 0.893 ( 1.964 1.698 -1.177) 2.850 0.921 ( -0.502 0.946 -0.649) 1.253 0.977 ( 2.048 -0.618 -0.741) 2.264 1.016 ( -0.671 -2.314 0.277) 2.425 1.049 ( 2.482 -0.700 0.255) 2.591 1.078 ( 0.934 -0.462 -0.094) 1.046 1.092 ( -0.854 -0.532 -0.668) 1.207 1.125 ( -1.429 -0.948 -0.349) 1.750 1.183 ( -0.627 1.528 0.264) 1.673 1.195 ( -1.859 2.654 0.088) 3.242 1.235 ( 4.078 -1.505 0.192) 4.351 1.291 ( -0.133 -1.510 -1.066) 1.853 1.314 ( 0.840 2.063 0.285) 2.245 1.355 ( 0.564 0.352 -0.050) 0.667 1.367 ( -1.740 -0.241 0.183) 1.767 1.378 ( -1.887 -0.154 0.997) 2.140 1.497 ( 11.646 0.180 0.993) 11.689 1.525 ( 5.809 -0.274 0.149) 5.818 1.602 ( 7.262 0.661 -0.639) 7.319 1.630 ( 10.558 -0.543 -0.914) 10.611 1.643 ( -5.700 0.228 0.505) 5.727 1.684 ( -8.045 -2.595 0.882) 8.499 1.792 ( -9.330 2.270 -0.286) 9.606 1.835 ( -9.291 -0.534 -1.622) 9.446 2.086 ( 2.725 1.630 -1.817) 3.658 2.111 ( 0.744 0.048 -1.469) 1.647 2.133 ( 1.839 -0.187 -1.242) 2.227 2.172 ( -1.358 -1.327 -2.199) 2.906 2.439 ( 4.387 0.706 4.303) 6.186 2.475 ( 1.366 -0.279 5.134) 5.320 2.542 ( -5.684 -0.319 2.614) 6.264 2.547 ( -5.597 -0.257 4.179) 6.990 2.993 ( 2.910 1.494 2.305) 4.002 3.030 ( -0.995 2.614 -1.066) 2.994 3.079 ( 2.669 -0.788 -1.333) 3.086 3.095 ( 1.051 5.023 1.758) 5.424 3.201 ( -2.292 -5.103 -1.649) 5.832 3.231 ( -4.934 -1.798 1.525) 5.469 3.306 ( 1.103 -1.746 2.484) 3.230 3.346 ( -2.702 -3.464 4.252) 6.113 3.460 ( 3.969 2.463 1.808) 5.009 3.513 ( 0.029 2.718 -1.548) 3.128 3.577 ( -2.246 2.230 0.073) 3.166 3.603 ( -5.885 0.052 3.237) 6.717 3.886 ( 2.725 1.404 2.565) 3.997 3.927 ( -1.343 1.333 3.520) 3.996 4.010 ( 3.224 -4.564 1.165) 5.708 4.049 ( -0.567 -3.767 2.209) 4.404 4.153 ( 1.026 3.751 3.855) 5.476 4.186 ( -2.284 4.910 3.364) 6.375 4.378 ( 1.918 -7.576 -1.176) 7.903 4.420 ( -1.981 -7.433 -3.316) 8.376 4.636 ( 1.423 5.079 -6.957) 8.731 4.667 ( -1.581 4.560 -6.578) 8.158 4.765 ( 0.248 -1.034 -2.696) 2.899 4.783 ( -1.671 -1.840 -1.916) 3.139 4.858 ( 1.016 3.690 -0.329) 3.842 4.896 ( -2.561 5.164 -0.307) 5.772 4.973 ( 1.856 -0.949 0.370) 2.117 5.014 ( -2.170 -0.058 0.169) 2.177 5.352 ( -0.129 1.903 1.640) 2.516 5.379 ( -3.125 0.779 1.010) 3.375 5.443 ( 1.664 -1.346 -0.151) 2.146 5.469 ( -0.664 -3.163 0.889) 3.352 5.557 ( 0.354 1.650 0.459) 1.749 5.580 ( -1.922 0.046 1.401) 2.379 5.615 ( 1.099 -0.593 0.187) 1.263 5.629 ( -0.020 -2.007 0.484) 2.065 6.352 ( 11.792 1.061 1.563) 11.943 6.396 ( 14.138 1.376 1.004) 14.240 6.565 ( -7.813 0.136 0.868) 7.862 6.607 ( 3.907 -1.052 -2.198) 4.604 6.627 ( -1.380 -2.550 -0.950) 3.051 6.679 ( -5.831 -1.033 0.932) 5.995 6.731 ( -6.294 0.688 0.974) 6.406 6.789 ( -8.116 0.039 -0.116) 8.117 7.510 ( 1.121 1.198 0.322) 1.672 7.534 ( -0.949 0.523 1.137) 1.570 7.563 ( 2.799 -1.268 0.428) 3.102 7.597 ( -0.657 -0.891 -0.637) 1.277 7.678 ( 1.099 0.897 1.547) 2.099 7.731 ( -2.798 -0.144 0.261) 2.814 7.735 ( 0.081 -1.183 0.241) 1.210 7.758 ( -1.614 -0.681 0.667) 1.874 8.240 ( 5.754 2.725 0.034) 6.367 8.322 ( -0.631 0.712 -0.543) 1.095 8.332 ( 1.350 0.143 -0.419) 1.421 8.386 ( -1.888 -0.443 -0.868) 2.125 8.401 ( 0.434 -0.375 -0.723) 0.923 8.421 ( -1.111 -0.081 -0.277) 1.148 8.433 ( -1.312 -0.930 -0.055) 1.609 8.453 ( -2.241 -0.426 -0.252) 2.295 9.144 ( 8.025 0.726 3.938) 8.969 9.174 ( 7.775 -0.580 3.566) 8.573 9.312 ( -8.806 0.470 2.488) 9.163 9.332 ( -8.068 -0.397 1.776) 8.271 10.378 ( 2.660 0.516 -2.002) 3.369 10.402 ( 3.643 -0.532 -2.585) 4.499 10.417 ( -1.158 0.910 -1.627) 2.194 10.461 ( -2.265 -1.038 -2.453) 3.497 ======================= Grid point 49 (21/48) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 0.000 -5.630 4.487) 7.199 0.492 ( 0.000 5.630 4.487) 7.199 0.551 ( 0.000 -7.823 5.480) 9.552 0.551 ( 0.000 7.823 5.480) 9.552 0.611 ( 0.000 -8.346 2.677) 8.764 0.611 ( 0.000 8.346 2.677) 8.764 0.765 ( 0.000 -2.997 1.651) 3.422 0.765 ( 0.000 2.997 1.651) 3.422 0.853 ( 0.000 -1.158 1.057) 1.567 0.853 ( 0.000 1.158 1.057) 1.567 0.896 ( 0.000 -1.049 1.172) 1.572 0.896 ( 0.000 1.049 1.172) 1.572 0.973 ( 0.000 -1.744 0.158) 1.751 0.973 ( 0.000 1.744 0.158) 1.751 1.032 ( 0.000 -3.930 -0.397) 3.951 1.032 ( 0.000 3.930 -0.397) 3.951 1.083 ( 0.000 -0.427 2.425) 2.462 1.083 ( 0.000 0.427 2.425) 2.462 1.132 ( 0.000 -0.404 -2.162) 2.199 1.132 ( 0.000 0.404 -2.162) 2.199 1.260 ( 0.000 -1.651 1.971) 2.571 1.260 ( 0.000 1.651 1.971) 2.571 1.292 ( 0.000 -0.727 0.443) 0.851 1.292 ( 0.000 0.727 0.443) 0.851 1.436 ( 0.000 -0.430 -1.361) 1.427 1.436 ( 0.000 0.430 -1.361) 1.427 1.595 ( 0.000 -5.724 -1.284) 5.866 1.595 ( 0.000 5.724 -1.284) 5.866 1.795 ( 0.000 -1.327 2.214) 2.581 1.795 ( 0.000 1.327 2.214) 2.581 1.899 ( 0.000 -0.770 0.240) 0.806 1.899 ( 0.000 0.770 0.240) 0.806 2.033 ( 0.000 -0.443 -0.298) 0.534 2.033 ( 0.000 0.443 -0.298) 0.534 2.183 ( 0.000 -1.073 -2.266) 2.507 2.183 ( 0.000 1.073 -2.266) 2.507 2.562 ( 0.000 -2.083 6.372) 6.704 2.562 ( 0.000 2.083 6.372) 6.704 2.778 ( 0.000 -4.040 -4.013) 5.694 2.778 ( 0.000 4.040 -4.013) 5.694 2.938 ( 0.000 -3.856 -3.169) 4.991 2.938 ( 0.000 3.856 -3.169) 4.991 3.130 ( 0.000 -7.135 8.539) 11.127 3.130 ( 0.000 7.135 8.539) 11.127 3.240 ( 0.000 -1.908 -4.014) 4.445 3.240 ( 0.000 1.908 -4.014) 4.445 3.405 ( 0.000 -1.238 0.951) 1.561 3.405 ( 0.000 1.238 0.951) 1.561 3.535 ( 0.000 -4.819 5.477) 7.295 3.535 ( 0.000 4.819 5.477) 7.295 3.734 ( 0.000 -0.245 1.423) 1.444 3.734 ( 0.000 0.245 1.423) 1.444 3.903 ( 0.000 -1.138 6.202) 6.306 3.903 ( 0.000 1.138 6.202) 6.306 3.922 ( 0.000 -3.772 2.536) 4.545 3.922 ( 0.000 3.772 2.536) 4.545 4.224 ( 0.000 -4.575 6.744) 8.150 4.224 ( 0.000 4.575 6.744) 8.150 4.365 ( 0.000 -5.297 -3.397) 6.293 4.365 ( 0.000 5.297 -3.397) 6.293 4.749 ( 0.000 -1.748 -4.302) 4.644 4.749 ( 0.000 1.748 -4.302) 4.644 4.791 ( 0.000 -0.656 -6.994) 7.025 4.791 ( 0.000 0.656 -6.994) 7.025 4.943 ( 0.000 -0.338 -2.418) 2.441 4.943 ( 0.000 0.338 -2.418) 2.441 5.202 ( 0.000 -1.044 -0.323) 1.093 5.202 ( 0.000 1.044 -0.323) 1.093 5.404 ( 0.000 -5.274 -2.980) 6.058 5.404 ( 0.000 5.274 -2.980) 6.058 5.424 ( 0.000 -1.935 -0.527) 2.005 5.424 ( 0.000 1.935 -0.527) 2.005 5.576 ( 0.000 -1.804 2.227) 2.866 5.576 ( 0.000 1.804 2.227) 2.866 5.632 ( 0.000 -0.481 3.893) 3.922 5.632 ( 0.000 0.481 3.893) 3.922 5.756 ( 0.000 -3.429 -1.018) 3.577 5.756 ( 0.000 3.429 -1.018) 3.577 6.468 ( 0.000 -1.305 -12.186) 12.255 6.468 ( 0.000 1.305 -12.186) 12.255 6.922 ( 0.000 -2.085 3.834) 4.364 6.922 ( 0.000 2.085 3.834) 4.364 7.153 ( 0.000 -1.010 2.187) 2.409 7.153 ( 0.000 1.010 2.187) 2.409 7.405 ( 0.000 -1.824 3.371) 3.833 7.405 ( 0.000 1.824 3.371) 3.833 7.604 ( 0.000 -2.320 -3.685) 4.355 7.604 ( 0.000 2.320 -3.685) 4.355 7.695 ( 0.000 -0.579 3.957) 3.999 7.695 ( 0.000 0.579 3.957) 3.999 7.810 ( 0.000 -2.304 5.319) 5.797 7.810 ( 0.000 2.304 5.319) 5.797 8.210 ( 0.000 -3.469 -8.736) 9.399 8.210 ( 0.000 3.469 -8.736) 9.399 8.350 ( 0.000 -0.147 -4.420) 4.423 8.350 ( 0.000 0.147 -4.420) 4.423 8.482 ( 0.000 -2.889 2.011) 3.521 8.482 ( 0.000 2.889 2.011) 3.521 8.593 ( 0.000 -0.083 1.008) 1.012 8.593 ( 0.000 0.083 1.008) 1.012 8.891 ( 0.000 -0.747 4.997) 5.053 8.891 ( 0.000 0.747 4.997) 5.053 9.579 ( 0.000 -0.773 -5.337) 5.393 9.579 ( 0.000 0.773 -5.337) 5.393 10.304 ( 0.000 -1.371 3.519) 3.777 10.304 ( 0.000 1.371 3.519) 3.777 10.362 ( 0.000 -2.040 2.335) 3.101 10.362 ( 0.000 2.040 2.335) 3.101 ======================= Grid point 51 (22/48) ======================= q-point: ( 0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 4.138 -4.033 4.425) 7.278 0.546 ( 4.138 4.033 4.425) 7.278 0.585 ( 1.692 -5.527 0.797) 5.835 0.585 ( 1.692 5.527 0.797) 5.835 0.650 ( 5.073 -7.953 1.346) 9.529 0.650 ( 5.073 7.953 1.346) 9.529 0.816 ( 3.374 -1.009 0.695) 3.590 0.816 ( 3.374 1.009 0.695) 3.590 0.876 ( 2.398 -1.152 1.305) 2.963 0.876 ( 2.398 1.152 1.305) 2.963 0.932 ( 2.546 -2.740 0.233) 3.748 0.932 ( 2.546 2.740 0.233) 3.748 0.998 ( 1.280 -2.218 1.088) 2.783 0.998 ( 1.280 2.218 1.088) 2.783 1.042 ( 2.160 -2.079 0.014) 2.998 1.042 ( 2.160 2.079 0.014) 2.998 1.092 ( 2.740 -3.405 2.347) 4.961 1.092 ( 2.740 3.405 2.347) 4.961 1.134 ( 0.388 -0.600 -2.275) 2.385 1.134 ( 0.388 0.600 -2.275) 2.385 1.270 ( 0.726 -0.683 2.296) 2.503 1.270 ( 0.726 0.683 2.296) 2.503 1.311 ( 2.349 -1.597 0.346) 2.862 1.311 ( 2.349 1.597 0.346) 2.862 1.425 ( -0.810 -1.824 -1.011) 2.237 1.425 ( -0.810 1.824 -1.011) 2.237 1.557 ( -3.468 -3.556 -1.370) 5.153 1.557 ( -3.468 3.556 -1.370) 5.153 1.818 ( 1.285 -1.658 1.777) 2.749 1.818 ( 1.285 1.658 1.777) 2.749 1.958 ( 5.160 -1.665 -0.218) 5.426 1.958 ( 5.160 1.665 -0.218) 5.426 1.999 ( -2.781 -1.019 -0.438) 2.994 1.999 ( -2.781 1.019 -0.438) 2.994 2.157 ( -2.420 -1.285 -2.151) 3.483 2.157 ( -2.420 1.285 -2.151) 3.483 2.542 ( -2.638 -1.020 4.455) 5.277 2.542 ( -2.638 1.020 4.455) 5.277 2.744 ( -3.280 -3.323 -1.984) 5.073 2.744 ( -3.280 3.323 -1.984) 5.073 2.930 ( 0.035 -1.906 0.761) 2.053 2.930 ( 0.035 1.906 0.761) 2.053 3.144 ( 1.134 -6.191 5.956) 8.665 3.144 ( 1.134 6.191 5.956) 8.665 3.232 ( -1.115 -4.443 -3.989) 6.074 3.232 ( -1.115 4.443 -3.989) 6.074 3.370 ( -2.063 -2.917 1.076) 3.732 3.370 ( -2.063 2.917 1.076) 3.732 3.536 ( -1.218 -5.111 5.607) 7.684 3.536 ( -1.218 5.111 5.607) 7.684 3.739 ( 0.316 -1.888 0.033) 1.915 3.739 ( 0.316 1.888 0.033) 1.915 3.879 ( -2.751 -2.154 2.431) 4.257 3.879 ( -2.751 2.154 2.431) 4.257 3.936 ( 2.166 -2.668 6.113) 7.013 3.936 ( 2.166 2.668 6.113) 7.013 4.224 ( 0.116 -4.893 5.154) 7.108 4.224 ( 0.116 4.893 5.154) 7.108 4.368 ( -0.182 -4.397 -3.475) 5.607 4.368 ( -0.182 4.397 -3.475) 5.607 4.740 ( -2.159 -2.588 -9.432) 10.016 4.740 ( -2.159 2.588 -9.432) 10.016 4.768 ( -0.399 -2.545 -1.034) 2.776 4.768 ( -0.399 2.545 -1.034) 2.776 4.936 ( -0.737 -0.955 -2.034) 2.365 4.936 ( -0.737 0.955 -2.034) 2.365 5.133 ( -4.755 -2.424 -0.251) 5.343 5.133 ( -4.755 2.424 -0.251) 5.343 5.420 ( -0.333 -1.610 -0.460) 1.707 5.420 ( -0.333 1.610 -0.460) 1.707 5.446 ( 2.152 -5.953 -2.940) 6.980 5.446 ( 2.152 5.953 -2.940) 6.980 5.562 ( -0.737 -1.133 1.853) 2.294 5.562 ( -0.737 1.133 1.853) 2.294 5.639 ( -1.350 -1.606 2.645) 3.376 5.639 ( -1.350 1.606 2.645) 3.376 5.861 ( 11.295 -7.774 0.898) 13.741 5.861 ( 11.295 7.774 0.898) 13.741 6.474 ( 0.681 -2.239 -10.235) 10.499 6.474 ( 0.681 2.239 -10.235) 10.499 6.886 ( -3.566 -0.848 3.646) 5.170 6.886 ( -3.566 0.848 3.646) 5.170 7.095 ( -6.009 -2.111 3.297) 7.172 7.095 ( -6.009 2.111 3.297) 7.172 7.425 ( 2.287 -1.802 1.777) 3.411 7.425 ( 2.287 1.802 1.777) 3.411 7.594 ( -0.809 -2.506 -2.972) 3.970 7.594 ( -0.809 2.506 -2.972) 3.970 7.712 ( 0.838 -0.532 2.701) 2.877 7.712 ( 0.838 0.532 2.701) 2.877 7.800 ( -0.816 -1.406 4.657) 4.932 7.800 ( -0.816 1.406 4.657) 4.932 8.201 ( -0.437 -4.727 -6.584) 8.117 8.201 ( -0.437 4.727 -6.584) 8.117 8.349 ( 0.189 -1.272 -3.416) 3.650 8.349 ( 0.189 1.272 -3.416) 3.650 8.464 ( -1.420 -2.539 2.054) 3.561 8.464 ( -1.420 2.539 2.054) 3.561 8.561 ( -2.874 -0.698 0.898) 3.090 8.561 ( -2.874 0.698 0.898) 3.090 8.926 ( 3.491 -0.819 5.035) 6.181 8.926 ( 3.491 0.819 5.035) 6.181 9.562 ( -2.362 -0.265 -3.428) 4.172 9.562 ( -2.362 0.265 -3.428) 4.172 10.289 ( 0.316 -0.119 1.218) 1.264 10.289 ( 0.316 0.119 1.218) 1.264 10.413 ( 2.996 -2.293 1.147) 3.943 10.413 ( 2.996 2.293 1.147) 3.943 ======================= Grid point 53 (23/48) ======================= q-point: ( 0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 2.964 -3.305 2.468) 5.079 0.612 ( 2.964 3.305 2.468) 5.079 0.648 ( 3.846 -3.654 -0.530) 5.332 0.648 ( 3.846 3.654 -0.530) 5.332 0.744 ( 3.455 -6.897 0.328) 7.721 0.744 ( 3.455 6.897 0.328) 7.721 0.851 ( 0.279 -0.943 0.228) 1.010 0.851 ( 0.279 0.943 0.228) 1.010 0.901 ( 0.303 -1.719 0.024) 1.745 0.901 ( 0.303 1.719 0.024) 1.745 0.937 ( 0.792 -1.853 0.982) 2.241 0.937 ( 0.792 1.853 0.982) 2.241 1.045 ( 0.906 -2.085 -1.239) 2.589 1.045 ( 0.906 2.085 -1.239) 2.589 1.114 ( 1.730 -0.844 -0.538) 1.998 1.114 ( 1.730 0.844 -0.538) 1.998 1.151 ( 3.183 -0.555 -0.512) 3.271 1.151 ( 3.183 0.555 -0.512) 3.271 1.213 ( 6.104 -1.589 -0.592) 6.335 1.213 ( 6.104 1.589 -0.592) 6.335 1.308 ( 5.235 -3.586 3.278) 7.143 1.308 ( 5.235 3.586 3.278) 7.143 1.357 ( 0.933 -1.917 -1.050) 2.376 1.357 ( 0.933 1.917 -1.050) 2.376 1.423 ( 0.225 -1.507 0.833) 1.736 1.423 ( 0.225 1.507 0.833) 1.736 1.500 ( 0.382 -1.675 -0.904) 1.942 1.500 ( 0.382 1.675 -0.904) 1.942 1.783 ( -5.284 -1.589 1.364) 5.684 1.783 ( -5.284 1.589 1.364) 5.684 1.947 ( -3.298 -1.599 -0.792) 3.750 1.947 ( -3.298 1.599 -0.792) 3.750 2.070 ( 5.315 -3.349 -1.588) 6.480 2.070 ( 5.315 3.349 -1.588) 6.480 2.109 ( -1.375 -1.668 -1.781) 2.801 2.109 ( -1.375 1.668 -1.781) 2.801 2.472 ( -3.230 -1.943 4.303) 5.721 2.472 ( -3.230 1.943 4.303) 5.721 2.652 ( -5.739 -1.289 0.685) 5.922 2.652 ( -5.739 1.289 0.685) 5.922 2.965 ( 3.275 -2.459 3.624) 5.469 2.965 ( 3.275 2.459 3.624) 5.469 3.152 ( -1.188 -4.802 0.258) 4.953 3.152 ( -1.188 4.802 0.258) 4.953 3.199 ( -1.261 -6.834 -0.186) 6.951 3.199 ( -1.261 6.834 -0.186) 6.951 3.339 ( -1.985 -1.823 2.572) 3.726 3.339 ( -1.985 1.823 2.572) 3.726 3.502 ( -0.879 -4.305 2.145) 4.890 3.502 ( -0.879 4.305 2.145) 4.890 3.696 ( -4.787 -2.735 1.210) 5.645 3.696 ( -4.787 2.735 1.210) 5.645 3.873 ( 2.424 -2.636 0.993) 3.716 3.873 ( 2.424 2.636 0.993) 3.716 3.974 ( 1.208 -3.414 4.687) 5.922 3.974 ( 1.208 3.414 4.687) 5.922 4.229 ( 0.399 -5.824 3.096) 6.608 4.229 ( 0.399 5.824 3.096) 6.608 4.345 ( -2.184 -5.376 -2.472) 6.307 4.345 ( -2.184 5.376 -2.472) 6.307 4.698 ( -0.975 -3.367 -7.101) 7.919 4.698 ( -0.975 3.367 -7.101) 7.919 4.770 ( -0.236 -1.993 -2.346) 3.087 4.770 ( -0.236 1.993 -2.346) 3.087 4.919 ( -0.575 -2.319 -0.580) 2.459 4.919 ( -0.575 2.319 -0.580) 2.459 5.052 ( -3.612 -3.128 -0.790) 4.843 5.052 ( -3.612 3.128 -0.790) 4.843 5.406 ( -0.958 -2.124 0.229) 2.342 5.406 ( -0.958 2.124 0.229) 2.342 5.453 ( -1.413 -1.914 -1.522) 2.825 5.453 ( -1.413 1.914 -1.522) 2.825 5.564 ( 0.993 -1.768 1.371) 2.448 5.564 ( 0.993 1.768 1.371) 2.448 5.608 ( -1.034 -0.776 2.155) 2.513 5.608 ( -1.034 0.776 2.155) 2.513 6.127 ( 14.319 -5.173 1.105) 15.265 6.127 ( 14.319 5.173 1.105) 15.265 6.505 ( 2.857 -1.460 -6.534) 7.279 6.505 ( 2.857 1.460 -6.534) 7.279 6.782 ( -7.131 -1.089 3.347) 7.952 6.782 ( -7.131 1.089 3.347) 7.952 6.941 ( -8.800 -2.244 2.696) 9.473 6.941 ( -8.800 2.244 2.696) 9.473 7.484 ( 3.154 -0.256 0.776) 3.258 7.484 ( 3.154 0.256 0.776) 3.258 7.578 ( -0.718 -2.661 -1.551) 3.163 7.578 ( -0.718 2.661 -1.551) 3.163 7.708 ( -0.880 -1.469 1.828) 2.504 7.708 ( -0.880 1.469 1.828) 2.504 7.781 ( -1.414 -0.537 1.817) 2.364 7.781 ( -1.414 0.537 1.817) 2.364 8.220 ( 2.727 -4.599 -2.283) 5.814 8.220 ( 2.727 4.599 -2.283) 5.814 8.359 ( 0.606 -1.664 -2.392) 2.976 8.359 ( 0.606 1.664 -2.392) 2.976 8.436 ( -1.465 -1.557 1.157) 2.431 8.436 ( -1.465 1.557 1.157) 2.431 8.496 ( -3.442 -0.896 0.455) 3.586 8.496 ( -3.442 0.896 0.455) 3.586 9.021 ( 6.091 -0.940 4.723) 7.765 9.021 ( 6.091 0.940 4.723) 7.765 9.473 ( -6.531 -0.142 -0.206) 6.535 9.473 ( -6.531 0.142 -0.206) 6.535 10.326 ( 3.004 -0.178 -1.375) 3.308 10.326 ( 3.004 0.178 -1.375) 3.308 10.450 ( 0.586 -2.044 -0.838) 2.286 10.450 ( 0.586 2.044 -0.838) 2.286 ======================= Grid point 55 (24/48) ======================= q-point: ( 0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 2.461 -4.327 1.367) 5.162 0.668 ( 2.461 4.327 1.367) 5.162 0.694 ( 0.337 -0.761 0.192) 0.854 0.694 ( 0.337 0.761 0.192) 0.854 0.784 ( 1.928 -2.616 -0.196) 3.256 0.784 ( 1.928 2.616 -0.196) 3.256 0.830 ( -2.148 -0.914 0.610) 2.412 0.830 ( -2.148 0.914 0.610) 2.412 0.935 ( 2.491 -2.547 -1.022) 3.706 0.935 ( 2.491 2.547 -1.022) 3.706 0.960 ( 0.383 -2.875 -0.508) 2.945 0.960 ( 0.383 2.875 -0.508) 2.945 1.062 ( 1.426 -1.370 0.039) 1.978 1.062 ( 1.426 1.370 0.039) 1.978 1.101 ( -1.875 -1.473 -0.306) 2.404 1.101 ( -1.875 1.473 -0.306) 2.404 1.210 ( 2.487 -1.388 0.068) 2.849 1.210 ( 2.487 1.388 0.068) 2.849 1.248 ( -0.719 -2.917 -0.337) 3.023 1.248 ( -0.719 2.917 -0.337) 3.023 1.349 ( 0.081 -1.442 0.037) 1.445 1.349 ( 0.081 1.442 0.037) 1.445 1.367 ( -1.626 -0.571 0.621) 1.832 1.367 ( -1.626 0.571 0.621) 1.832 1.512 ( 7.867 -1.137 0.595) 7.972 1.512 ( 7.867 1.137 0.595) 7.972 1.617 ( 9.892 -0.897 -0.668) 9.955 1.617 ( 9.892 0.897 -0.668) 9.955 1.652 ( -6.991 -1.016 0.816) 7.112 1.652 ( -6.991 1.016 0.816) 7.112 1.821 ( -9.300 -1.115 -1.198) 9.443 1.821 ( -9.300 1.115 -1.198) 9.443 2.117 ( 1.558 -0.913 -1.459) 2.321 2.117 ( 1.558 0.913 -1.459) 2.321 2.135 ( 0.596 -2.213 -1.682) 2.843 2.135 ( 0.596 2.213 -1.682) 2.843 2.460 ( 2.387 -1.301 4.336) 5.117 2.460 ( 2.387 1.301 4.336) 5.117 2.541 ( -5.213 -0.218 2.737) 5.891 2.541 ( -5.213 0.218 2.737) 5.891 3.036 ( 3.566 -2.920 0.754) 4.670 3.036 ( 3.566 2.920 0.754) 4.670 3.100 ( -3.157 -4.635 -2.180) 6.017 3.100 ( -3.157 4.635 -2.180) 6.017 3.206 ( 1.930 -5.460 4.376) 7.259 3.206 ( 1.930 5.460 4.376) 7.259 3.273 ( -4.227 -2.989 5.287) 7.399 3.273 ( -4.227 2.989 5.287) 7.399 3.525 ( 2.845 -2.457 -0.967) 3.882 3.525 ( 2.845 2.457 -0.967) 3.882 3.598 ( -4.528 -0.447 0.358) 4.564 3.598 ( -4.528 0.447 0.358) 4.564 3.932 ( 2.930 -3.739 1.195) 4.898 3.932 ( 2.930 3.739 1.195) 4.898 3.975 ( -1.186 -3.920 2.629) 4.867 3.975 ( -1.186 3.920 2.629) 4.867 4.247 ( 1.581 -6.480 1.858) 6.924 4.247 ( 1.581 6.480 1.858) 6.924 4.292 ( -2.855 -6.508 -0.073) 7.107 4.292 ( -2.855 6.508 -0.073) 7.107 4.709 ( 1.702 -1.892 -5.349) 5.923 4.709 ( 1.702 1.892 -5.349) 5.923 4.748 ( -1.903 -1.080 -4.072) 4.623 4.748 ( -1.903 1.080 -4.072) 4.623 4.930 ( 1.849 -3.541 0.358) 4.010 4.930 ( 1.849 3.541 0.358) 4.010 4.984 ( -3.331 -3.507 -0.336) 4.849 4.984 ( -3.331 3.507 -0.336) 4.849 5.396 ( 0.212 -1.884 0.705) 2.023 5.396 ( 0.212 1.884 0.705) 2.023 5.416 ( -1.753 -1.613 0.702) 2.483 5.416 ( -1.753 1.613 0.702) 2.483 5.587 ( 0.981 -1.912 0.647) 2.245 5.587 ( 0.981 1.912 0.647) 2.245 5.598 ( -0.293 -1.177 0.878) 1.498 5.598 ( -0.293 1.177 0.878) 1.498 6.388 ( 11.944 -2.099 1.286) 12.195 6.388 ( 11.944 2.099 1.286) 12.195 6.575 ( -1.584 -1.640 -1.268) 2.609 6.575 ( -1.584 1.640 -1.268) 2.609 6.635 ( -1.531 -2.777 0.906) 3.298 6.635 ( -1.531 2.777 0.906) 3.298 6.768 ( -8.725 -2.212 0.437) 9.012 6.768 ( -8.725 2.212 0.437) 9.012 7.535 ( 1.963 -1.586 0.727) 2.626 7.535 ( 1.963 1.586 0.727) 2.626 7.563 ( -0.981 -2.377 0.246) 2.583 7.563 ( -0.981 2.377 0.246) 2.583 7.705 ( 1.000 -1.864 0.587) 2.195 7.705 ( 1.000 1.864 0.587) 2.195 7.742 ( -2.320 -0.990 0.262) 2.536 7.742 ( -2.320 0.990 0.262) 2.536 8.295 ( 4.200 -2.849 -0.463) 5.096 8.295 ( 4.200 2.849 -0.463) 5.096 8.359 ( -1.539 -2.003 -0.703) 2.622 8.359 ( -1.539 2.003 -0.703) 2.622 8.410 ( -0.243 -1.130 -0.258) 1.184 8.410 ( -0.243 1.130 -0.258) 1.184 8.437 ( -2.390 -1.156 -0.135) 2.658 8.437 ( -2.390 1.156 -0.135) 2.658 9.160 ( 7.886 -0.921 3.727) 8.771 9.160 ( 7.886 0.921 3.727) 8.771 9.322 ( -8.406 -0.615 2.103) 8.687 9.322 ( -8.406 0.615 2.103) 8.687 10.390 ( 3.141 -0.739 -2.288) 3.955 10.390 ( 3.141 0.739 -2.288) 3.955 10.438 ( -1.643 -1.363 -2.007) 2.930 10.438 ( -1.643 1.363 -2.007) 2.930 ======================= Grid point 70 (25/48) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 0.000 0.000 6.444) 6.444 0.493 ( 0.000 0.000 9.618) 9.618 0.544 ( 0.000 0.000 6.756) 6.756 0.603 ( 0.000 0.000 6.089) 6.089 0.712 ( 0.000 0.000 -2.756) 2.756 0.737 ( 0.000 0.000 -1.524) 1.524 0.830 ( 0.000 0.000 -2.072) 2.072 0.831 ( 0.000 0.000 5.037) 5.037 0.849 ( 0.000 0.000 2.343) 2.343 0.884 ( 0.000 0.000 9.468) 9.468 0.888 ( 0.000 0.000 -5.826) 5.826 0.931 ( 0.000 0.000 4.272) 4.272 0.955 ( 0.000 0.000 3.401) 3.401 0.970 ( 0.000 0.000 1.944) 1.944 1.030 ( 0.000 0.000 1.701) 1.701 1.061 ( 0.000 0.000 1.327) 1.327 1.083 ( 0.000 0.000 -2.152) 2.152 1.110 ( 0.000 0.000 -4.268) 4.268 1.128 ( 0.000 0.000 -1.386) 1.386 1.133 ( 0.000 0.000 -2.645) 2.645 1.264 ( 0.000 0.000 2.656) 2.656 1.321 ( 0.000 0.000 1.012) 1.012 1.362 ( 0.000 0.000 0.851) 0.851 1.375 ( 0.000 0.000 -2.331) 2.331 1.380 ( 0.000 0.000 6.216) 6.216 1.404 ( 0.000 0.000 -0.084) 0.084 1.416 ( 0.000 0.000 -1.210) 1.210 1.634 ( 0.000 0.000 -4.883) 4.883 1.877 ( 0.000 0.000 0.578) 0.578 1.886 ( 0.000 0.000 -0.081) 0.081 1.888 ( 0.000 0.000 3.010) 3.010 1.927 ( 0.000 0.000 0.453) 0.453 2.010 ( 0.000 0.000 0.837) 0.837 2.047 ( 0.000 0.000 1.294) 1.294 2.123 ( 0.000 0.000 -1.278) 1.278 2.144 ( 0.000 0.000 -5.163) 5.163 2.683 ( 0.000 0.000 0.542) 0.542 2.720 ( 0.000 0.000 5.348) 5.348 2.728 ( 0.000 0.000 6.811) 6.811 2.763 ( 0.000 0.000 -6.312) 6.312 2.919 ( 0.000 0.000 -5.068) 5.068 2.942 ( 0.000 0.000 2.286) 2.286 2.959 ( 0.000 0.000 -2.876) 2.876 3.057 ( 0.000 0.000 1.644) 1.644 3.184 ( 0.000 0.000 5.065) 5.065 3.390 ( 0.000 0.000 3.795) 3.795 3.407 ( 0.000 0.000 3.285) 3.285 3.457 ( 0.000 0.000 0.480) 0.480 3.505 ( 0.000 0.000 -2.109) 2.109 3.624 ( 0.000 0.000 -4.872) 4.872 3.831 ( 0.000 0.000 10.535) 10.535 3.919 ( 0.000 0.000 0.633) 0.633 3.989 ( 0.000 0.000 8.245) 8.245 4.005 ( 0.000 0.000 -0.564) 0.564 4.103 ( 0.000 0.000 -10.187) 10.187 4.110 ( 0.000 0.000 7.442) 7.442 4.130 ( 0.000 0.000 8.539) 8.539 4.239 ( 0.000 0.000 13.200) 13.200 4.370 ( 0.000 0.000 9.745) 9.745 4.450 ( 0.000 0.000 -10.808) 10.808 4.523 ( 0.000 0.000 6.583) 6.583 4.619 ( 0.000 0.000 -12.224) 12.224 4.751 ( 0.000 0.000 -7.021) 7.021 4.777 ( 0.000 0.000 -3.151) 3.151 4.781 ( 0.000 0.000 -4.140) 4.140 4.887 ( 0.000 0.000 -1.220) 1.220 4.919 ( 0.000 0.000 -2.008) 2.008 5.092 ( 0.000 0.000 -6.533) 6.533 5.305 ( 0.000 0.000 3.847) 3.847 5.383 ( 0.000 0.000 -1.696) 1.696 5.440 ( 0.000 0.000 -0.126) 0.126 5.463 ( 0.000 0.000 1.302) 1.302 5.525 ( 0.000 0.000 -1.037) 1.037 5.596 ( 0.000 0.000 -7.856) 7.856 5.695 ( 0.000 0.000 7.120) 7.120 5.790 ( 0.000 0.000 9.159) 9.159 5.829 ( 0.000 0.000 8.133) 8.133 6.081 ( 0.000 0.000 -8.307) 8.307 6.107 ( 0.000 0.000 -4.829) 4.829 6.197 ( 0.000 0.000 -10.419) 10.419 6.965 ( 0.000 0.000 5.081) 5.081 7.084 ( 0.000 0.000 1.732) 1.732 7.133 ( 0.000 0.000 -1.549) 1.549 7.139 ( 0.000 0.000 -0.370) 0.370 7.391 ( 0.000 0.000 2.675) 2.675 7.502 ( 0.000 0.000 -2.590) 2.590 7.555 ( 0.000 0.000 0.950) 0.950 7.561 ( 0.000 0.000 1.166) 1.166 7.822 ( 0.000 0.000 6.481) 6.481 7.859 ( 0.000 0.000 4.832) 4.832 7.872 ( 0.000 0.000 7.585) 7.585 7.911 ( 0.000 0.000 0.541) 0.541 7.975 ( 0.000 0.000 1.859) 1.859 8.138 ( 0.000 0.000 -5.611) 5.611 8.217 ( 0.000 0.000 -7.305) 7.305 8.234 ( 0.000 0.000 -6.781) 6.781 8.480 ( 0.000 0.000 3.110) 3.110 8.578 ( 0.000 0.000 0.794) 0.794 8.591 ( 0.000 0.000 -1.421) 1.421 8.598 ( 0.000 0.000 -0.355) 0.355 9.031 ( 0.000 0.000 9.348) 9.348 9.038 ( 0.000 0.000 8.241) 8.241 9.415 ( 0.000 0.000 -8.498) 8.498 9.437 ( 0.000 0.000 -9.021) 9.021 10.343 ( 0.000 0.000 2.562) 2.562 10.363 ( 0.000 0.000 1.652) 1.652 10.409 ( 0.000 0.000 2.568) 2.568 10.475 ( 0.000 0.000 -0.683) 0.683 ======================= Grid point 71 (26/48) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 0.450 0.000 3.138) 3.170 0.502 ( 1.229 0.000 5.771) 5.901 0.569 ( 3.128 0.000 6.546) 7.255 0.616 ( 3.239 0.000 7.941) 8.576 0.692 ( -2.379 0.000 -1.823) 2.998 0.722 ( 1.262 0.000 -1.481) 1.946 0.826 ( 2.393 0.000 -1.543) 2.848 0.873 ( 0.505 0.000 -3.189) 3.229 0.923 ( 5.337 0.000 6.155) 8.147 0.927 ( 3.802 0.000 -0.065) 3.803 0.934 ( 0.580 0.000 2.652) 2.715 0.980 ( 1.143 0.000 3.595) 3.772 1.003 ( 2.356 0.000 1.138) 2.616 1.010 ( 9.008 0.000 0.764) 9.040 1.033 ( 0.766 0.000 0.233) 0.800 1.040 ( 0.822 0.000 3.324) 3.424 1.070 ( -2.202 0.000 -3.186) 3.873 1.098 ( 1.500 0.000 -2.118) 2.595 1.133 ( 0.393 0.000 -2.532) 2.563 1.178 ( 2.303 0.000 -0.788) 2.435 1.273 ( 1.060 0.000 3.325) 3.490 1.303 ( -1.474 0.000 0.522) 1.564 1.352 ( 1.811 0.000 -0.248) 1.828 1.369 ( -0.469 0.000 1.497) 1.569 1.401 ( 0.237 0.000 -1.230) 1.252 1.416 ( 1.328 0.000 3.382) 3.634 1.433 ( 1.143 0.000 -1.931) 2.244 1.593 ( -4.642 0.000 -2.953) 5.502 1.831 ( 0.644 0.000 1.801) 1.913 1.860 ( -0.149 0.000 -0.001) 0.149 1.942 ( -2.356 0.000 -0.423) 2.394 1.960 ( 1.524 0.000 0.621) 1.646 2.026 ( -1.799 0.000 0.492) 1.865 2.041 ( 4.610 0.000 0.574) 4.645 2.085 ( -4.068 0.000 -1.849) 4.469 2.118 ( -1.860 0.000 -3.880) 4.303 2.606 ( -4.347 0.000 5.856) 7.293 2.661 ( -3.025 0.000 4.442) 5.375 2.768 ( -0.271 0.000 0.153) 0.311 2.857 ( 4.678 0.000 -3.497) 5.841 2.902 ( -4.415 0.000 0.217) 4.420 2.904 ( 1.111 0.000 0.578) 1.253 2.958 ( 1.145 0.000 -0.761) 1.375 3.079 ( 2.034 0.000 0.721) 2.158 3.165 ( -1.629 0.000 4.052) 4.367 3.397 ( 0.685 0.000 2.573) 2.663 3.424 ( 0.636 0.000 2.590) 2.667 3.439 ( -2.029 0.000 -0.151) 2.034 3.474 ( -2.923 0.000 -0.707) 3.008 3.608 ( -1.556 0.000 -5.065) 5.298 3.774 ( -5.482 0.000 7.238) 9.080 3.889 ( -0.420 0.000 4.648) 4.667 3.949 ( -5.006 0.000 -0.261) 5.012 4.035 ( 2.008 0.000 7.410) 7.677 4.102 ( -0.819 0.000 -3.415) 3.512 4.114 ( 1.154 0.000 6.766) 6.864 4.158 ( 0.702 0.000 6.734) 6.770 4.199 ( -0.696 0.000 4.159) 4.217 4.356 ( -1.302 0.000 8.901) 8.996 4.450 ( -0.592 0.000 -9.948) 9.966 4.515 ( -0.451 0.000 6.409) 6.425 4.638 ( 1.888 0.000 -10.890) 11.053 4.679 ( -5.853 0.000 -6.790) 8.965 4.767 ( -1.035 0.000 -2.228) 2.456 4.782 ( 0.107 0.000 -4.081) 4.083 4.899 ( 0.540 0.000 -0.527) 0.755 4.924 ( 0.751 0.000 -0.852) 1.136 5.061 ( -2.828 0.000 -6.343) 6.945 5.335 ( 2.557 0.000 1.526) 2.978 5.376 ( -0.563 0.000 -0.918) 1.077 5.468 ( 2.055 0.000 -1.141) 2.350 5.476 ( 1.163 0.000 1.035) 1.557 5.546 ( 1.839 0.000 -0.954) 2.071 5.555 ( -3.640 0.000 -5.329) 6.453 5.763 ( 3.183 0.000 5.563) 6.410 5.793 ( -3.219 0.000 5.926) 6.744 5.822 ( 5.530 0.000 7.388) 9.229 6.085 ( 1.970 0.000 -5.752) 6.080 6.202 ( 8.812 0.000 -5.705) 10.498 6.286 ( 6.934 0.000 -8.518) 10.984 6.974 ( 0.007 0.000 4.380) 4.380 7.022 ( -5.705 0.000 2.576) 6.259 7.069 ( -6.576 0.000 0.547) 6.599 7.098 ( -4.384 0.000 -0.056) 4.384 7.408 ( 2.269 0.000 0.686) 2.371 7.471 ( -1.712 0.000 -2.325) 2.887 7.566 ( 0.370 0.000 1.110) 1.170 7.569 ( 0.626 0.000 0.994) 1.175 7.805 ( -1.299 0.000 4.395) 4.583 7.822 ( -3.169 0.000 3.679) 4.856 7.887 ( -2.424 0.000 0.687) 2.520 7.910 ( -1.732 0.000 4.284) 4.620 7.966 ( 4.156 0.000 2.510) 4.856 8.183 ( 3.825 0.000 -3.326) 5.069 8.213 ( 0.796 0.000 -6.129) 6.180 8.280 ( 2.963 0.000 -5.438) 6.193 8.458 ( -1.813 0.000 2.830) 3.361 8.552 ( -2.524 0.000 0.778) 2.642 8.563 ( -2.684 0.000 -1.393) 3.025 8.569 ( -2.701 0.000 0.090) 2.702 9.060 ( 2.842 0.000 9.035) 9.471 9.077 ( 3.639 0.000 8.207) 8.978 9.441 ( 0.056 0.000 -7.867) 7.868 9.447 ( 1.916 0.000 -8.037) 8.263 10.330 ( -2.266 0.000 2.429) 3.322 10.332 ( -0.880 0.000 2.626) 2.770 10.407 ( -0.320 0.000 0.861) 0.919 10.471 ( -0.616 0.000 -2.009) 2.102 ======================= Grid point 72 (27/48) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 2.204 0.000 2.890) 3.635 0.552 ( 3.687 0.000 1.323) 3.917 0.668 ( 6.102 0.000 2.858) 6.738 0.677 ( 1.232 0.000 -1.522) 1.958 0.753 ( 1.642 0.000 -0.195) 1.654 0.757 ( 7.693 0.000 4.380) 8.853 0.859 ( 1.111 0.000 -1.207) 1.641 0.892 ( 2.135 0.000 -2.409) 3.219 0.921 ( -2.207 0.000 1.150) 2.489 0.937 ( -2.928 0.000 -0.076) 2.929 0.941 ( -1.600 0.000 0.801) 1.789 1.001 ( 1.948 0.000 2.406) 3.096 1.038 ( 0.752 0.000 -0.405) 0.854 1.051 ( 1.368 0.000 -1.228) 1.838 1.081 ( 3.524 0.000 0.536) 3.565 1.122 ( -1.523 0.000 -1.914) 2.445 1.139 ( 4.000 0.000 -0.440) 4.024 1.180 ( 7.292 0.000 -0.654) 7.321 1.195 ( 9.058 0.000 -1.027) 9.116 1.215 ( 1.034 0.000 2.123) 2.362 1.287 ( -0.816 0.000 1.675) 1.863 1.306 ( -1.161 0.000 -1.403) 1.821 1.366 ( 0.841 0.000 0.457) 0.957 1.387 ( 3.265 0.000 1.908) 3.782 1.407 ( 1.830 0.000 -1.155) 2.164 1.455 ( 1.023 0.000 -0.332) 1.075 1.470 ( 4.079 0.000 0.618) 4.125 1.512 ( -1.101 0.000 -0.978) 1.473 1.792 ( -5.793 0.000 3.020) 6.533 1.871 ( -1.387 0.000 1.243) 1.862 1.901 ( -5.017 0.000 0.633) 5.057 1.961 ( -0.970 0.000 -2.317) 2.512 1.971 ( -5.823 0.000 -2.256) 6.244 1.998 ( 3.297 0.000 -2.843) 4.354 2.101 ( 0.250 0.000 -1.359) 1.382 2.127 ( 2.619 0.000 -1.928) 3.252 2.536 ( -2.385 0.000 7.783) 8.140 2.616 ( -1.755 0.000 5.653) 5.919 2.700 ( -4.778 0.000 0.713) 4.831 2.762 ( -7.369 0.000 -0.616) 7.395 2.964 ( 4.279 0.000 1.250) 4.458 2.978 ( 4.856 0.000 2.542) 5.481 2.990 ( 2.287 0.000 -1.070) 2.525 3.112 ( -0.863 0.000 7.097) 7.149 3.154 ( 2.816 0.000 -4.546) 5.347 3.365 ( -5.113 0.000 -1.287) 5.273 3.393 ( -2.478 0.000 2.011) 3.191 3.403 ( -4.689 0.000 1.256) 4.854 3.427 ( 0.966 0.000 0.469) 1.074 3.576 ( -1.013 0.000 -2.703) 2.887 3.656 ( -6.081 0.000 4.605) 7.628 3.823 ( -7.362 0.000 1.188) 7.457 3.907 ( 1.973 0.000 4.624) 5.028 4.037 ( -1.179 0.000 5.107) 5.242 4.075 ( -0.879 0.000 0.053) 0.881 4.138 ( -1.112 0.000 3.320) 3.501 4.171 ( 4.018 0.000 8.170) 9.104 4.256 ( 3.890 0.000 -4.039) 5.607 4.327 ( -1.552 0.000 7.618) 7.775 4.422 ( -2.030 0.000 -8.685) 8.919 4.510 ( -0.252 0.000 3.767) 3.776 4.572 ( -4.450 0.000 -4.095) 6.048 4.684 ( 2.468 0.000 -9.029) 9.360 4.754 ( 0.103 0.000 -0.284) 0.303 4.773 ( -0.838 0.000 -4.981) 5.051 4.888 ( -1.781 0.000 1.020) 2.053 4.947 ( 1.214 0.000 -0.373) 1.270 5.002 ( -2.651 0.000 -5.631) 6.224 5.369 ( 0.029 0.000 0.572) 0.572 5.386 ( 2.759 0.000 -0.215) 2.767 5.472 ( -3.474 0.000 -1.210) 3.678 5.506 ( 1.544 0.000 -1.938) 2.478 5.510 ( 1.412 0.000 1.890) 2.360 5.582 ( 1.624 0.000 -0.979) 1.897 5.714 ( -4.663 0.000 3.460) 5.807 5.729 ( -3.706 0.000 3.311) 4.970 6.069 ( 16.349 0.000 3.573) 16.735 6.179 ( 7.752 0.000 -1.805) 7.960 6.391 ( 9.520 0.000 -4.585) 10.567 6.428 ( 7.385 0.000 -5.027) 8.934 6.882 ( -7.724 0.000 2.780) 8.209 6.890 ( -11.135 0.000 2.435) 11.398 6.921 ( -6.604 0.000 2.128) 6.938 6.965 ( -8.896 0.000 0.422) 8.906 7.463 ( 1.181 0.000 -0.750) 1.399 7.480 ( 4.613 0.000 -0.952) 4.710 7.575 ( 0.657 0.000 0.639) 0.917 7.579 ( 0.322 0.000 0.860) 0.918 7.757 ( -3.090 0.000 2.620) 4.051 7.772 ( -1.895 0.000 1.468) 2.396 7.824 ( -3.769 0.000 0.522) 3.805 7.840 ( -3.680 0.000 1.501) 3.974 8.095 ( 7.269 0.000 2.510) 7.691 8.248 ( 2.583 0.000 -3.663) 4.482 8.265 ( 4.096 0.000 -1.113) 4.245 8.333 ( 2.403 0.000 -3.233) 4.029 8.421 ( -1.984 0.000 1.495) 2.485 8.485 ( -4.060 0.000 0.162) 4.063 8.502 ( -3.233 0.000 -0.722) 3.313 8.505 ( -3.481 0.000 0.207) 3.487 9.136 ( 4.701 0.000 7.864) 9.162 9.166 ( 5.083 0.000 7.291) 8.888 9.425 ( -1.955 0.000 -4.366) 4.784 9.444 ( -2.637 0.000 -3.942) 4.742 10.312 ( 0.723 0.000 0.515) 0.887 10.322 ( 0.157 0.000 1.211) 1.221 10.393 ( -1.042 0.000 -1.460) 1.793 10.448 ( -1.739 0.000 -3.252) 3.688 ======================= Grid point 73 (28/48) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 5.467 0.000 1.018) 5.561 0.632 ( 4.228 0.000 -1.198) 4.394 0.679 ( -2.251 0.000 -1.403) 2.652 0.706 ( -2.639 0.000 -2.756) 3.816 0.826 ( 4.942 0.000 1.960) 5.316 0.841 ( 1.180 0.000 1.175) 1.665 0.874 ( -2.019 0.000 -0.035) 2.019 0.885 ( -1.871 0.000 -0.183) 1.880 0.898 ( 2.424 0.000 3.444) 4.212 0.922 ( -0.632 0.000 2.785) 2.856 0.961 ( 4.282 0.000 -0.474) 4.308 1.050 ( -3.939 0.000 -0.536) 3.975 1.062 ( 3.004 0.000 -1.473) 3.346 1.066 ( 5.123 0.000 -0.747) 5.177 1.102 ( 2.647 0.000 1.926) 3.273 1.131 ( -0.790 0.000 0.829) 1.145 1.169 ( -3.546 0.000 -0.442) 3.574 1.174 ( -5.403 0.000 0.726) 5.452 1.232 ( 1.786 0.000 -2.529) 3.096 1.264 ( -0.333 0.000 -2.968) 2.986 1.301 ( 3.946 0.000 1.514) 4.227 1.339 ( 3.747 0.000 -0.726) 3.817 1.383 ( -0.569 0.000 0.288) 0.638 1.393 ( -3.908 0.000 0.436) 3.932 1.529 ( 10.840 0.000 1.728) 10.976 1.532 ( 5.868 0.000 0.552) 5.894 1.577 ( 6.358 0.000 -0.805) 6.409 1.605 ( 9.475 0.000 -1.935) 9.670 1.663 ( -6.210 0.000 1.862) 6.483 1.743 ( -9.890 0.000 -0.476) 9.901 1.751 ( -8.874 0.000 0.675) 8.899 1.798 ( -9.588 0.000 -2.172) 9.831 2.039 ( 4.755 0.000 -0.878) 4.836 2.084 ( 3.708 0.000 -2.166) 4.295 2.100 ( -1.132 0.000 -0.501) 1.238 2.135 ( -1.467 0.000 -2.137) 2.592 2.535 ( 2.537 0.000 4.968) 5.579 2.592 ( -0.159 0.000 4.391) 4.394 2.611 ( -4.400 0.000 2.685) 5.154 2.636 ( -4.776 0.000 2.141) 5.234 3.033 ( 2.890 0.000 2.625) 3.904 3.048 ( 3.206 0.000 -0.112) 3.207 3.060 ( 2.698 0.000 2.000) 3.359 3.079 ( -1.918 0.000 4.552) 4.939 3.233 ( 4.338 0.000 -2.058) 4.802 3.273 ( -3.175 0.000 -0.179) 3.180 3.294 ( -5.119 0.000 0.418) 5.136 3.319 ( -4.380 0.000 0.164) 4.383 3.465 ( 3.001 0.000 0.354) 3.021 3.545 ( -5.034 0.000 2.123) 5.463 3.594 ( 2.950 0.000 1.143) 3.164 3.686 ( -6.196 0.000 1.736) 6.435 3.955 ( 2.670 0.000 3.769) 4.619 4.004 ( -2.168 0.000 3.816) 4.388 4.081 ( 1.244 0.000 -0.725) 1.440 4.111 ( -1.584 0.000 -0.527) 1.670 4.246 ( 3.285 0.000 8.398) 9.018 4.295 ( -1.843 0.000 7.423) 7.649 4.326 ( 3.104 0.000 -5.595) 6.399 4.378 ( -2.372 0.000 -6.998) 7.389 4.503 ( -0.241 0.000 -0.279) 0.368 4.514 ( -1.586 0.000 -0.596) 1.694 4.726 ( 1.772 0.000 -7.099) 7.317 4.755 ( -1.125 0.000 -5.629) 5.740 4.779 ( 2.325 0.000 1.616) 2.831 4.836 ( -3.196 0.000 2.041) 3.792 4.960 ( 0.286 0.000 -2.466) 2.482 4.970 ( -0.763 0.000 -4.107) 4.177 5.380 ( 1.098 0.000 2.395) 2.635 5.413 ( -2.308 0.000 2.313) 3.268 5.449 ( 3.492 0.000 -0.634) 3.549 5.507 ( -1.837 0.000 -1.434) 2.330 5.551 ( 2.723 0.000 1.737) 3.230 5.613 ( 1.859 0.000 -0.685) 1.982 5.622 ( -4.418 0.000 2.099) 4.891 5.660 ( -2.974 0.000 0.534) 3.022 6.380 ( 12.218 0.000 1.473) 12.306 6.405 ( 17.004 0.000 1.403) 17.061 6.566 ( 8.373 0.000 -2.159) 8.647 6.570 ( 4.428 0.000 -0.719) 4.486 6.659 ( -9.226 0.000 1.406) 9.333 6.709 ( -12.218 0.000 1.947) 12.372 6.737 ( -9.256 0.000 -0.959) 9.306 6.774 ( -9.846 0.000 -0.556) 9.861 7.509 ( 3.119 0.000 0.993) 3.273 7.565 ( 2.698 0.000 -0.983) 2.872 7.565 ( -1.426 0.000 1.104) 1.803 7.590 ( 0.435 0.000 0.132) 0.455 7.715 ( -0.591 0.000 1.980) 2.066 7.749 ( -3.468 0.000 0.886) 3.580 7.751 ( 0.248 0.000 0.024) 0.249 7.780 ( -2.437 0.000 0.331) 2.460 8.230 ( 6.155 0.000 1.378) 6.307 8.309 ( 3.503 0.000 -1.629) 3.864 8.313 ( -0.951 0.000 0.669) 1.163 8.365 ( -0.385 0.000 -1.298) 1.354 8.392 ( 0.550 0.000 -0.327) 0.640 8.415 ( -1.579 0.000 -0.588) 1.685 8.440 ( -3.138 0.000 -0.338) 3.156 8.442 ( -2.697 0.000 -0.610) 2.765 9.240 ( 5.816 0.000 5.393) 7.932 9.268 ( 5.190 0.000 4.621) 6.949 9.356 ( -5.727 0.000 1.381) 5.891 9.362 ( -4.238 0.000 0.392) 4.256 10.338 ( 1.326 0.000 -1.031) 1.679 10.350 ( 2.731 0.000 -2.225) 3.522 10.368 ( -1.505 0.000 -2.193) 2.660 10.405 ( -2.614 0.000 -3.440) 4.321 ======================= Grid point 77 (29/48) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 0.000 2.687 7.495) 7.962 0.535 ( 0.000 4.887 4.570) 6.691 0.555 ( 0.000 2.729 5.641) 6.266 0.672 ( 0.000 1.531 5.619) 5.824 0.711 ( 0.000 -2.940 -1.884) 3.492 0.715 ( 0.000 3.304 -2.138) 3.936 0.765 ( 0.000 -4.756 3.563) 5.943 0.817 ( 0.000 0.364 -2.280) 2.309 0.860 ( 0.000 -2.210 1.577) 2.715 0.888 ( 0.000 0.937 7.141) 7.202 0.925 ( 0.000 2.935 -3.552) 4.608 0.933 ( 0.000 0.628 4.080) 4.128 0.954 ( 0.000 0.141 3.642) 3.645 0.990 ( 0.000 1.427 3.381) 3.669 1.029 ( 0.000 0.088 2.728) 2.729 1.060 ( 0.000 -1.267 -2.091) 2.445 1.073 ( 0.000 0.700 -0.781) 1.049 1.088 ( 0.000 -2.797 -2.432) 3.707 1.128 ( 0.000 0.015 -2.009) 2.009 1.130 ( 0.000 0.011 -1.211) 1.211 1.285 ( 0.000 1.770 2.491) 3.056 1.316 ( 0.000 -0.265 1.335) 1.361 1.345 ( 0.000 -1.643 2.715) 3.173 1.349 ( 0.000 -1.522 2.634) 3.042 1.394 ( 0.000 0.579 -1.319) 1.441 1.405 ( 0.000 1.015 1.074) 1.477 1.471 ( 0.000 4.121 -1.859) 4.521 1.613 ( 0.000 -2.386 -4.408) 5.012 1.861 ( 0.000 -1.426 1.114) 1.809 1.864 ( 0.000 -1.941 3.006) 3.578 1.887 ( 0.000 0.216 -0.327) 0.392 1.918 ( 0.000 -1.046 -0.007) 1.046 2.022 ( 0.000 1.082 0.807) 1.350 2.045 ( 0.000 -0.217 1.289) 1.308 2.128 ( 0.000 0.269 -1.839) 1.858 2.130 ( 0.000 -0.831 -4.026) 4.111 2.675 ( 0.000 -0.674 1.056) 1.253 2.677 ( 0.000 -1.475 4.316) 4.561 2.761 ( 0.000 -0.231 -3.745) 3.752 2.767 ( 0.000 0.604 4.379) 4.420 2.876 ( 0.000 -1.744 -2.709) 3.222 2.900 ( 0.000 -2.862 1.312) 3.149 3.037 ( 0.000 5.483 -5.651) 7.874 3.105 ( 0.000 3.668 -0.866) 3.769 3.225 ( 0.000 3.240 5.131) 6.068 3.387 ( 0.000 -3.195 3.788) 4.956 3.414 ( 0.000 1.393 1.513) 2.057 3.433 ( 0.000 -1.306 1.291) 1.836 3.537 ( 0.000 4.961 2.409) 5.515 3.691 ( 0.000 6.221 -2.332) 6.644 3.805 ( 0.000 -3.653 8.255) 9.027 3.881 ( 0.000 -6.840 7.049) 9.822 3.925 ( 0.000 1.009 1.591) 1.884 4.009 ( 0.000 -1.795 3.043) 3.533 4.043 ( 0.000 -2.607 3.375) 4.264 4.130 ( 0.000 -4.677 10.173) 11.196 4.187 ( 0.000 5.654 -3.966) 6.907 4.240 ( 0.000 5.462 3.779) 6.642 4.406 ( 0.000 0.074 9.429) 9.429 4.455 ( 0.000 -1.064 -9.960) 10.017 4.514 ( 0.000 0.314 6.324) 6.332 4.585 ( 0.000 -2.350 -9.603) 9.886 4.734 ( 0.000 -0.806 -4.456) 4.529 4.820 ( 0.000 3.489 -5.443) 6.465 4.824 ( 0.000 -1.487 -0.847) 1.711 4.906 ( 0.000 0.050 -1.899) 1.899 4.928 ( 0.000 7.296 -8.133) 10.926 5.099 ( 0.000 0.227 -8.194) 8.197 5.323 ( 0.000 2.142 2.416) 3.229 5.384 ( 0.000 0.154 -1.594) 1.601 5.412 ( 0.000 -2.070 0.066) 2.071 5.472 ( 0.000 -1.691 -1.110) 2.022 5.554 ( 0.000 3.454 0.473) 3.487 5.613 ( 0.000 3.192 -4.966) 5.903 5.685 ( 0.000 -1.412 6.177) 6.337 5.784 ( 0.000 -0.478 9.398) 9.410 5.795 ( 0.000 -3.114 8.062) 8.643 5.916 ( 0.000 -10.261 -2.061) 10.466 6.200 ( 0.000 3.266 -10.471) 10.968 6.208 ( 0.000 1.063 -10.849) 10.901 6.982 ( 0.000 1.735 5.174) 5.457 7.054 ( 0.000 -1.933 3.980) 4.424 7.146 ( 0.000 1.197 -1.355) 1.808 7.165 ( 0.000 1.105 -0.822) 1.377 7.434 ( 0.000 3.434 1.733) 3.847 7.496 ( 0.000 0.464 -2.085) 2.136 7.509 ( 0.000 -2.901 2.380) 3.752 7.579 ( 0.000 -0.129 -0.824) 0.834 7.806 ( 0.000 -0.916 6.051) 6.120 7.826 ( 0.000 -2.012 5.910) 6.243 7.897 ( 0.000 1.493 6.347) 6.520 7.945 ( 0.000 0.369 4.509) 4.524 7.981 ( 0.000 2.888 -3.427) 4.481 8.116 ( 0.000 -2.362 -5.927) 6.381 8.223 ( 0.000 0.565 -7.073) 7.096 8.236 ( 0.000 0.051 -6.650) 6.650 8.494 ( 0.000 1.413 2.860) 3.190 8.563 ( 0.000 -1.631 1.211) 2.032 8.592 ( 0.000 0.086 -1.223) 1.226 8.596 ( 0.000 -0.120 -0.409) 0.426 9.032 ( 0.000 0.139 9.160) 9.161 9.038 ( 0.000 -0.084 8.382) 8.383 9.420 ( 0.000 0.445 -8.618) 8.630 9.435 ( 0.000 -0.224 -9.018) 9.021 10.351 ( 0.000 0.841 2.704) 2.832 10.374 ( 0.000 1.156 1.558) 1.940 10.398 ( 0.000 -1.102 2.623) 2.845 10.448 ( 0.000 -2.539 0.420) 2.573 ======================= Grid point 78 (30/48) ======================= q-point: ( 0.14 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 1.539 4.978 3.085) 6.055 0.556 ( 2.234 2.971 4.750) 6.032 0.581 ( 1.768 2.279 2.914) 4.100 0.658 ( 0.311 1.978 5.144) 5.520 0.678 ( 0.484 0.572 3.046) 3.136 0.729 ( 1.004 -0.474 -2.567) 2.797 0.791 ( 1.707 -1.881 -1.437) 2.919 0.854 ( 1.757 -2.088 1.003) 2.908 0.901 ( 3.612 -1.249 -1.531) 4.117 0.932 ( 1.978 -0.846 3.810) 4.375 0.940 ( 1.138 0.841 1.713) 2.222 0.969 ( 1.361 -0.611 2.595) 2.993 0.992 ( 3.706 0.212 0.099) 3.714 1.026 ( 2.483 -0.195 0.641) 2.572 1.039 ( 2.845 0.493 1.604) 3.303 1.063 ( 2.389 2.087 1.080) 3.351 1.075 ( -1.241 0.127 -2.020) 2.374 1.094 ( 1.126 -0.351 -1.743) 2.104 1.127 ( 0.586 -0.802 -1.199) 1.557 1.147 ( 2.672 -2.094 0.109) 3.396 1.289 ( -1.129 1.261 2.401) 2.937 1.313 ( 1.242 1.057 1.945) 2.538 1.348 ( 2.285 -0.417 0.678) 2.419 1.376 ( -0.102 0.729 0.763) 1.060 1.391 ( 1.375 -1.798 2.834) 3.627 1.414 ( 0.206 0.036 -1.584) 1.597 1.458 ( -1.010 2.595 -1.773) 3.301 1.570 ( -4.250 -2.313 -2.896) 5.639 1.834 ( 0.387 0.663 1.835) 1.990 1.871 ( 1.221 0.712 0.875) 1.663 1.938 ( 0.000 -0.752 -0.495) 0.901 1.956 ( 1.322 -0.189 -0.496) 1.424 2.015 ( 2.464 -1.798 0.841) 3.164 2.020 ( -2.890 -0.841 0.751) 3.102 2.093 ( -3.084 0.581 -2.290) 3.884 2.112 ( -1.760 -0.483 -3.445) 3.898 2.614 ( -3.610 0.769 5.077) 6.277 2.649 ( -2.390 -1.038 3.753) 4.568 2.766 ( -1.445 -0.235 2.333) 2.754 2.802 ( -0.529 -3.411 -0.577) 3.500 2.885 ( 3.126 0.495 -0.844) 3.276 2.919 ( 2.275 -1.420 -0.328) 2.702 3.023 ( -1.031 5.538 -4.912) 7.474 3.116 ( 1.289 2.837 -2.055) 3.733 3.205 ( -1.761 3.568 5.366) 6.680 3.372 ( -1.810 -2.237 1.986) 3.496 3.395 ( -1.983 -0.882 2.350) 3.199 3.428 ( 0.328 -2.332 1.285) 2.683 3.537 ( -1.138 5.909 2.508) 6.519 3.667 ( -2.343 5.374 -2.054) 6.212 3.782 ( -3.338 -0.172 5.976) 6.847 3.837 ( -2.522 -6.007 5.199) 8.335 3.915 ( -1.636 -1.275 2.434) 3.198 4.002 ( -0.091 -3.949 6.280) 7.420 4.052 ( 0.209 -1.356 5.182) 5.360 4.128 ( -0.030 -3.466 7.828) 8.561 4.162 ( -1.085 5.715 -4.482) 7.343 4.262 ( 1.289 4.228 1.540) 4.681 4.374 ( -2.890 -0.365 3.511) 4.562 4.431 ( -2.046 -3.551 -3.995) 5.724 4.518 ( 0.438 0.976 2.876) 3.068 4.594 ( 0.422 -1.780 -7.265) 7.492 4.690 ( -2.627 1.017 -3.664) 4.622 4.805 ( -0.966 4.484 -4.703) 6.570 4.823 ( -0.908 -1.295 -2.070) 2.605 4.912 ( 0.011 3.551 -3.145) 4.743 4.920 ( 0.311 0.628 -3.382) 3.454 5.072 ( -2.556 0.251 -7.463) 7.893 5.353 ( 2.241 1.990 0.831) 3.110 5.383 ( -0.021 0.727 -0.955) 1.200 5.436 ( 1.827 -2.071 -0.368) 2.786 5.475 ( 0.102 -2.429 -1.843) 3.051 5.562 ( 0.787 2.428 0.447) 2.591 5.577 ( -2.334 3.063 -1.434) 4.109 5.729 ( 0.513 -3.737 3.451) 5.112 5.752 ( -2.387 -3.397 5.134) 6.603 5.853 ( 7.890 2.596 7.515) 11.201 6.018 ( 8.488 -5.870 -0.457) 10.330 6.226 ( 4.417 1.995 -8.591) 9.864 6.284 ( 5.673 -0.557 -9.495) 11.075 6.971 ( -1.711 -0.078 4.581) 4.891 6.998 ( -5.144 -1.128 4.534) 6.950 7.093 ( -5.541 1.811 0.081) 5.830 7.126 ( -4.703 1.484 -0.800) 4.996 7.431 ( 1.026 1.956 1.050) 2.446 7.484 ( -0.676 1.912 -1.938) 2.805 7.520 ( 1.064 -2.849 2.022) 3.652 7.583 ( 0.057 -0.539 -0.698) 0.883 7.794 ( -1.212 -0.721 4.230) 4.459 7.810 ( -2.008 -1.588 4.304) 5.008 7.868 ( -2.526 0.063 2.434) 3.508 7.906 ( -3.690 -1.155 2.668) 4.697 8.019 ( 4.368 4.614 0.340) 6.363 8.159 ( 3.666 -2.409 -3.247) 5.458 8.229 ( 1.293 1.361 -5.806) 6.102 8.273 ( 2.635 -0.724 -5.439) 6.087 8.472 ( -1.842 1.460 2.599) 3.504 8.540 ( -2.169 -1.481 1.082) 2.841 8.560 ( -2.907 0.079 -0.495) 2.949 8.568 ( -2.675 -0.147 -0.627) 2.751 9.063 ( 2.962 0.289 8.884) 9.369 9.075 ( 3.522 -0.236 8.302) 9.021 9.441 ( 0.358 0.049 -7.818) 7.827 9.446 ( 1.410 -0.139 -7.992) 8.117 10.331 ( -1.720 0.252 2.679) 3.194 10.337 ( -1.825 0.293 2.795) 3.351 10.408 ( 0.147 0.254 0.404) 0.500 10.453 ( -0.048 -1.736 -1.362) 2.207 ======================= Grid point 79 (31/48) ======================= q-point: ( 0.29 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 1.411 4.838 1.941) 5.401 0.602 ( 3.061 4.462 0.096) 5.413 0.644 ( 4.127 -0.981 1.299) 4.436 0.707 ( 2.949 0.768 3.159) 4.389 0.730 ( 2.047 -0.385 0.035) 2.083 0.782 ( 5.449 1.125 1.414) 5.740 0.820 ( 1.195 -2.262 -1.648) 3.043 0.878 ( 0.824 -1.794 -0.789) 2.126 0.918 ( -2.885 -1.304 0.963) 3.309 0.931 ( -0.565 -0.418 0.289) 0.760 0.948 ( 0.371 1.533 0.596) 1.686 0.990 ( 0.659 -1.145 1.931) 2.339 1.031 ( 1.810 -1.049 1.410) 2.523 1.046 ( 0.523 -0.462 -2.563) 2.657 1.077 ( 2.347 -0.335 -0.127) 2.374 1.099 ( -0.565 -1.707 -2.299) 2.919 1.148 ( 4.282 0.520 -0.009) 4.313 1.161 ( 4.701 -1.032 0.122) 4.814 1.189 ( 5.478 -0.149 -1.687) 5.734 1.238 ( 3.627 -1.995 -0.223) 4.145 1.276 ( 1.405 3.838 2.226) 4.654 1.344 ( 0.126 1.768 1.340) 2.222 1.367 ( 0.302 -0.584 0.142) 0.673 1.393 ( 2.247 1.507 0.360) 2.730 1.407 ( 0.926 -0.653 -0.269) 1.165 1.451 ( 2.514 -1.000 0.304) 2.722 1.463 ( 3.419 0.169 -0.278) 3.434 1.501 ( -0.314 -1.075 -1.158) 1.611 1.799 ( -5.647 0.855 2.767) 6.346 1.848 ( -4.256 -1.464 1.796) 4.846 1.919 ( -4.943 0.666 -0.282) 4.995 1.950 ( -4.403 -1.545 -1.960) 5.061 1.978 ( 2.379 1.907 -2.057) 3.678 2.023 ( 1.169 2.303 -2.143) 3.356 2.088 ( 1.100 -1.593 -1.509) 2.455 2.103 ( 2.179 -2.225 -2.096) 3.754 2.553 ( -2.247 1.696 7.412) 7.929 2.610 ( -1.724 -0.849 5.641) 5.959 2.695 ( -4.693 -0.271 1.764) 5.021 2.734 ( -5.333 -2.358 2.033) 6.175 2.966 ( 3.371 0.069 -0.849) 3.477 2.979 ( 3.156 0.015 -0.681) 3.228 3.017 ( 0.843 3.021 -1.805) 3.619 3.144 ( 0.141 -2.079 -5.886) 6.244 3.185 ( 1.266 6.678 7.971) 10.475 3.324 ( -2.426 0.435 0.520) 2.519 3.352 ( -2.121 -2.330 3.182) 4.478 3.444 ( 0.614 -1.425 0.895) 1.791 3.484 ( -3.100 5.003 2.196) 6.282 3.598 ( -4.523 2.412 0.339) 5.137 3.678 ( -6.116 2.046 3.068) 7.142 3.769 ( -5.250 -5.242 1.326) 7.536 3.907 ( 1.567 0.222 4.280) 4.563 4.011 ( 1.041 -5.233 5.596) 7.732 4.042 ( -1.244 0.513 4.693) 4.882 4.117 ( -1.372 -2.003 2.701) 3.632 4.173 ( 2.171 2.235 -1.205) 3.341 4.287 ( 1.169 0.680 0.499) 1.441 4.319 ( -2.194 -0.476 -0.672) 2.343 4.387 ( -2.181 -5.086 -2.578) 6.105 4.527 ( 0.581 2.261 0.740) 2.449 4.589 ( -0.825 2.528 -2.930) 3.957 4.673 ( 0.669 -0.404 -3.980) 4.056 4.778 ( -2.281 -0.063 -4.653) 5.182 4.807 ( 0.363 3.721 -1.500) 4.029 4.905 ( -0.700 3.198 -2.224) 3.958 4.940 ( 1.147 -1.199 -0.848) 1.864 5.015 ( -2.772 0.280 -5.573) 6.231 5.384 ( 0.215 1.391 0.439) 1.474 5.394 ( 2.012 1.103 -0.320) 2.317 5.452 ( -2.172 -1.973 -0.549) 2.985 5.470 ( 1.155 -2.202 -0.441) 2.526 5.552 ( 0.361 2.983 0.961) 3.155 5.588 ( 1.334 0.838 -0.274) 1.599 5.686 ( -3.403 -2.757 2.684) 5.137 5.697 ( -3.230 -3.258 2.808) 5.379 6.101 ( 15.578 3.283 3.584) 16.318 6.190 ( 9.266 0.488 -0.171) 9.281 6.367 ( 9.067 -1.693 -5.237) 10.607 6.409 ( 6.926 -2.186 -5.785) 9.285 6.858 ( -8.671 -0.550 4.002) 9.566 6.894 ( -7.068 -1.863 3.499) 8.104 6.934 ( -9.732 2.684 1.222) 10.169 6.983 ( -9.505 0.711 -0.157) 9.533 7.484 ( 2.150 1.809 -0.459) 2.847 7.489 ( 2.998 1.205 -0.266) 3.242 7.548 ( 1.487 -1.710 1.140) 2.536 7.584 ( 0.226 -0.734 -0.491) 0.912 7.754 ( -2.700 -0.283 2.533) 3.713 7.766 ( -2.060 -0.729 1.975) 2.945 7.807 ( -3.572 -0.890 0.482) 3.713 7.830 ( -3.686 -1.170 0.994) 3.993 8.130 ( 6.344 3.331 1.570) 7.335 8.239 ( 4.218 -1.604 -1.093) 4.643 8.270 ( 2.733 1.142 -3.262) 4.406 8.324 ( 2.438 -1.041 -3.273) 4.212 8.432 ( -2.236 1.183 1.432) 2.907 8.486 ( -3.322 -0.665 0.655) 3.451 8.491 ( -3.780 -0.199 -0.247) 3.793 8.505 ( -3.420 -0.235 -0.444) 3.456 9.140 ( 4.759 0.500 7.755) 9.112 9.162 ( 5.029 -0.436 7.352) 8.919 9.427 ( -2.022 0.216 -4.297) 4.754 9.440 ( -2.492 -0.390 -3.985) 4.716 10.314 ( 0.589 0.243 0.671) 0.925 10.322 ( 0.167 -0.074 1.199) 1.213 10.399 ( -0.972 0.664 -1.749) 2.108 10.438 ( -1.461 -1.024 -2.948) 3.446 ======================= Grid point 80 (32/48) ======================= q-point: ( 0.43 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 3.995 2.994 0.925) 5.077 0.664 ( 3.007 3.041 -1.067) 4.408 0.680 ( -0.783 0.840 -0.572) 1.283 0.727 ( -2.083 0.729 -1.849) 2.879 0.792 ( 3.994 -2.317 1.859) 4.977 0.825 ( 0.849 -1.794 0.495) 2.046 0.844 ( -1.000 -2.754 0.021) 2.930 0.868 ( -1.534 -1.833 0.396) 2.423 0.901 ( 1.777 0.684 2.020) 2.776 0.923 ( -0.454 0.561 1.363) 1.543 0.967 ( 1.788 -0.423 -0.282) 1.859 1.010 ( -0.872 -3.427 -0.683) 3.602 1.061 ( 2.570 -0.269 0.415) 2.617 1.073 ( 1.372 1.198 -0.238) 1.837 1.095 ( 2.962 -0.865 1.311) 3.353 1.126 ( 0.174 -0.707 0.703) 1.012 1.182 ( -2.435 1.120 -0.511) 2.729 1.188 ( -2.847 1.346 -0.537) 3.195 1.217 ( 2.436 -1.026 -2.012) 3.322 1.254 ( -0.498 -1.105 -2.530) 2.805 1.325 ( 1.945 1.997 0.876) 2.922 1.352 ( 2.204 1.109 -0.315) 2.487 1.371 ( -0.831 -0.763 0.422) 1.205 1.393 ( -2.343 -0.439 0.193) 2.391 1.524 ( 9.149 -0.032 1.303) 9.242 1.535 ( 6.374 -0.041 0.981) 6.449 1.583 ( 7.221 0.528 -1.109) 7.325 1.601 ( 9.402 -0.366 -1.925) 9.605 1.667 ( -6.402 0.453 1.901) 6.693 1.709 ( -8.762 -1.925 1.465) 9.090 1.774 ( -9.296 0.867 -1.584) 9.470 1.794 ( -9.545 -0.425 -2.149) 9.793 2.055 ( 3.928 1.691 -0.761) 4.344 2.083 ( 2.339 0.425 -1.164) 2.647 2.107 ( 0.507 0.122 -1.066) 1.187 2.126 ( -0.340 -1.053 -1.963) 2.254 2.544 ( 1.661 0.970 5.321) 5.658 2.585 ( -0.363 -0.824 4.537) 4.625 2.607 ( -3.828 -0.087 3.193) 4.986 2.631 ( -4.355 -0.751 3.124) 5.412 3.007 ( 1.232 -0.609 -0.041) 1.375 3.017 ( 0.548 -0.689 -0.076) 0.883 3.059 ( 2.957 -0.888 -0.797) 3.188 3.117 ( -2.477 -2.894 -2.609) 4.617 3.235 ( 2.711 5.218 6.144) 8.504 3.289 ( -2.489 3.158 3.755) 5.502 3.331 ( 1.715 3.736 1.103) 4.256 3.396 ( -3.731 3.239 0.743) 4.997 3.483 ( 1.121 2.027 -0.784) 2.445 3.531 ( -2.505 -1.837 3.497) 4.677 3.586 ( -0.822 -0.464 0.193) 0.964 3.655 ( -5.651 -3.278 0.938) 6.600 3.955 ( 2.802 0.291 3.736) 4.679 4.006 ( -2.271 0.453 3.675) 4.344 4.042 ( 1.943 -3.722 1.937) 4.624 4.082 ( -2.015 -2.808 0.556) 3.500 4.224 ( 2.625 -0.173 1.752) 3.161 4.269 ( -2.028 -1.145 1.870) 2.986 4.322 ( 1.331 -1.807 -2.522) 3.376 4.350 ( -1.592 -3.758 -2.723) 4.906 4.545 ( 1.221 4.491 -0.605) 4.693 4.569 ( -1.133 5.118 -1.386) 5.422 4.695 ( 1.448 -2.432 -3.619) 4.594 4.731 ( -2.214 -2.289 -3.597) 4.804 4.833 ( 2.119 4.657 -0.679) 5.162 4.879 ( -2.057 4.018 -0.571) 4.550 4.959 ( 0.780 -0.732 -2.036) 2.300 4.976 ( -1.218 0.002 -3.942) 4.126 5.390 ( 0.509 1.199 1.876) 2.284 5.410 ( -1.584 -0.108 1.922) 2.493 5.440 ( 2.430 -1.001 -0.301) 2.645 5.477 ( -0.871 -2.578 -0.368) 2.745 5.571 ( 1.426 1.660 1.022) 2.415 5.611 ( 0.254 -0.124 0.255) 0.380 5.619 ( -2.222 -0.356 1.080) 2.496 5.643 ( -2.000 -1.671 0.650) 2.686 6.391 ( 12.101 1.451 2.045) 12.358 6.420 ( 15.182 1.195 1.131) 15.271 6.543 ( 6.993 -1.570 -2.009) 7.443 6.559 ( 8.344 -2.076 -2.332) 8.910 6.654 ( -10.628 0.523 3.045) 11.068 6.710 ( -11.040 -0.715 1.556) 11.172 6.744 ( -9.152 1.030 0.262) 9.214 6.775 ( -10.678 0.042 -1.279) 10.754 7.524 ( 2.440 1.518 0.960) 3.029 7.557 ( 0.755 -0.126 0.594) 0.969 7.569 ( 1.604 -0.322 0.231) 1.652 7.588 ( 0.083 -0.432 -0.169) 0.471 7.714 ( -0.788 -0.058 1.733) 1.904 7.739 ( -2.984 -0.567 0.503) 3.078 7.740 ( -0.002 -1.056 0.164) 1.068 7.768 ( -2.508 -1.226 0.046) 2.792 8.251 ( 5.592 2.092 1.079) 6.067 8.316 ( 3.400 0.477 -1.077) 3.598 8.318 ( 0.744 0.298 0.195) 0.824 8.360 ( 0.250 -0.601 -1.447) 1.586 8.392 ( -0.394 0.137 -0.037) 0.419 8.415 ( -2.785 0.324 -0.421) 2.835 8.428 ( -2.627 -0.951 -0.226) 2.803 8.442 ( -2.861 -0.359 -0.700) 2.967 9.244 ( 5.714 0.465 5.260) 7.780 9.264 ( 5.272 -0.411 4.716) 7.085 9.357 ( -5.469 0.088 1.215) 5.603 9.361 ( -4.423 -0.108 0.516) 4.454 10.340 ( 1.505 0.195 -1.181) 1.923 10.348 ( 2.500 -0.168 -2.031) 3.226 10.373 ( -1.628 0.546 -2.382) 2.936 10.399 ( -2.417 -0.600 -3.251) 4.096 ======================= Grid point 84 (33/48) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 0.000 -1.865 3.497) 3.963 0.573 ( 0.000 1.865 3.497) 3.963 0.644 ( 0.000 -4.372 1.617) 4.662 0.644 ( 0.000 4.372 1.617) 4.662 0.672 ( 0.000 -4.140 3.896) 5.685 0.672 ( 0.000 4.140 3.896) 5.685 0.803 ( 0.000 -4.042 0.466) 4.069 0.803 ( 0.000 4.042 0.466) 4.069 0.862 ( 0.000 -3.458 1.389) 3.726 0.862 ( 0.000 3.458 1.389) 3.726 0.945 ( 0.000 -0.331 1.915) 1.943 0.945 ( 0.000 0.331 1.915) 1.943 0.992 ( 0.000 -2.828 1.044) 3.015 0.992 ( 0.000 2.828 1.044) 3.015 1.030 ( 0.000 -0.136 1.472) 1.478 1.030 ( 0.000 0.136 1.472) 1.478 1.077 ( 0.000 -0.297 -1.895) 1.918 1.077 ( 0.000 0.297 -1.895) 1.918 1.124 ( 0.000 -0.140 -0.300) 0.332 1.124 ( 0.000 0.140 -0.300) 0.332 1.313 ( 0.000 -1.029 1.861) 2.126 1.313 ( 0.000 1.029 1.861) 2.126 1.326 ( 0.000 -0.456 3.697) 3.725 1.326 ( 0.000 0.456 3.697) 3.725 1.409 ( 0.000 -0.616 -0.583) 0.848 1.409 ( 0.000 0.616 -0.583) 0.848 1.550 ( 0.000 -4.384 -3.167) 5.408 1.550 ( 0.000 4.384 -3.167) 5.408 1.844 ( 0.000 -0.034 2.239) 2.240 1.844 ( 0.000 0.034 2.239) 2.240 1.898 ( 0.000 -0.952 -0.476) 1.065 1.898 ( 0.000 0.952 -0.476) 1.065 2.038 ( 0.000 -0.593 1.032) 1.190 2.038 ( 0.000 0.593 1.032) 1.190 2.127 ( 0.000 -0.266 -2.876) 2.888 2.127 ( 0.000 0.266 -2.876) 2.888 2.667 ( 0.000 -0.126 2.158) 2.162 2.667 ( 0.000 0.126 2.158) 2.162 2.762 ( 0.000 -0.441 1.127) 1.211 2.762 ( 0.000 0.441 1.127) 1.211 2.867 ( 0.000 -0.687 -0.684) 0.969 2.867 ( 0.000 0.687 -0.684) 0.969 3.120 ( 0.000 -2.769 -6.832) 7.372 3.120 ( 0.000 2.769 -6.832) 7.372 3.299 ( 0.000 -5.393 6.896) 8.755 3.299 ( 0.000 5.393 6.896) 8.755 3.425 ( 0.000 -0.197 0.047) 0.203 3.425 ( 0.000 0.197 0.047) 0.203 3.676 ( 0.000 -9.027 7.645) 11.830 3.676 ( 0.000 9.027 7.645) 11.830 3.795 ( 0.000 -4.518 3.356) 5.628 3.795 ( 0.000 4.518 3.356) 5.628 3.962 ( 0.000 -2.897 3.001) 4.171 3.962 ( 0.000 2.897 3.001) 4.171 4.045 ( 0.000 -3.131 5.960) 6.733 4.045 ( 0.000 3.131 5.960) 6.733 4.295 ( 0.000 -4.459 -2.608) 5.166 4.295 ( 0.000 4.459 -2.608) 5.166 4.393 ( 0.000 -3.777 1.691) 4.139 4.393 ( 0.000 3.777 1.691) 4.139 4.547 ( 0.000 -2.377 -2.197) 3.237 4.547 ( 0.000 2.377 -2.197) 3.237 4.762 ( 0.000 -3.594 -0.835) 3.690 4.762 ( 0.000 3.594 -0.835) 3.690 4.877 ( 0.000 -2.533 -4.054) 4.780 4.877 ( 0.000 2.533 -4.054) 4.780 5.068 ( 0.000 -4.851 -11.194) 12.200 5.068 ( 0.000 4.851 -11.194) 12.200 5.373 ( 0.000 -2.521 -0.246) 2.533 5.373 ( 0.000 2.521 -0.246) 2.533 5.409 ( 0.000 -3.507 -1.134) 3.686 5.409 ( 0.000 3.507 -1.134) 3.686 5.631 ( 0.000 -4.398 2.945) 5.293 5.631 ( 0.000 4.398 2.945) 5.293 5.716 ( 0.000 -6.926 0.594) 6.952 5.716 ( 0.000 6.926 0.594) 6.952 5.788 ( 0.000 -2.058 7.470) 7.749 5.788 ( 0.000 2.058 7.470) 7.749 6.223 ( 0.000 -0.235 -11.490) 11.492 6.223 ( 0.000 0.235 -11.490) 11.492 7.019 ( 0.000 -2.144 5.205) 5.630 7.019 ( 0.000 2.144 5.205) 5.630 7.166 ( 0.000 -0.778 -0.913) 1.200 7.166 ( 0.000 0.778 -0.913) 1.200 7.467 ( 0.000 -1.510 2.304) 2.755 7.467 ( 0.000 1.510 2.304) 2.755 7.547 ( 0.000 -3.401 -2.012) 3.951 7.547 ( 0.000 3.401 -2.012) 3.951 7.802 ( 0.000 -0.549 5.936) 5.961 7.802 ( 0.000 0.549 5.936) 5.961 7.924 ( 0.000 -1.518 5.643) 5.843 7.924 ( 0.000 1.518 5.643) 5.843 8.056 ( 0.000 -4.158 -5.754) 7.100 8.056 ( 0.000 4.158 -5.754) 7.100 8.233 ( 0.000 -0.392 -6.719) 6.730 8.233 ( 0.000 0.392 -6.719) 6.730 8.527 ( 0.000 -2.141 2.140) 3.027 8.527 ( 0.000 2.141 2.140) 3.027 8.594 ( 0.000 -0.124 -0.776) 0.786 8.594 ( 0.000 0.124 -0.776) 0.786 9.035 ( 0.000 -0.168 8.747) 8.749 9.035 ( 0.000 0.168 8.747) 8.749 9.429 ( 0.000 -0.488 -8.871) 8.884 9.429 ( 0.000 0.488 -8.871) 8.884 10.373 ( 0.000 -1.528 2.799) 3.188 10.373 ( 0.000 1.528 2.799) 3.188 10.403 ( 0.000 -2.124 1.335) 2.508 10.403 ( 0.000 2.124 1.335) 2.508 ======================= Grid point 86 (34/48) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 1.220 -1.326 1.848) 2.581 0.588 ( 1.220 1.326 1.848) 2.581 0.653 ( 0.425 -4.929 0.755) 5.005 0.653 ( 0.425 4.929 0.755) 5.005 0.689 ( 3.156 -2.224 4.168) 5.682 0.689 ( 3.156 2.224 4.168) 5.682 0.814 ( 0.954 -2.930 -1.048) 3.254 0.814 ( 0.954 2.930 -1.048) 3.254 0.903 ( 2.512 -1.970 1.870) 3.700 0.903 ( 2.512 1.970 1.870) 3.700 0.961 ( 1.110 -1.051 2.127) 2.619 0.961 ( 1.110 1.051 2.127) 2.619 1.002 ( 0.656 -1.752 -0.270) 1.890 1.002 ( 0.656 1.752 -0.270) 1.890 1.058 ( 2.766 -1.424 0.477) 3.147 1.058 ( 2.766 1.424 0.477) 3.147 1.085 ( 0.666 -0.689 -1.332) 1.641 1.085 ( 0.666 0.689 -1.332) 1.641 1.126 ( 1.847 -0.778 -0.182) 2.013 1.126 ( 1.847 0.778 -0.182) 2.013 1.318 ( 0.826 -1.354 1.821) 2.416 1.318 ( 0.826 1.354 1.821) 2.416 1.352 ( 1.822 -1.649 3.722) 4.460 1.352 ( 1.822 1.649 3.722) 4.460 1.399 ( -0.346 -1.297 -1.195) 1.797 1.399 ( -0.346 1.297 -1.195) 1.797 1.517 ( -2.918 -3.489 -2.591) 5.234 1.517 ( -2.918 3.489 -2.591) 5.234 1.860 ( 1.051 -1.860 2.137) 3.022 1.860 ( 1.051 1.860 2.137) 3.022 1.941 ( 3.382 -1.280 -1.525) 3.925 1.941 ( 3.382 1.280 -1.525) 3.925 2.005 ( -2.799 -0.614 1.146) 3.086 2.005 ( -2.799 0.614 1.146) 3.086 2.103 ( -2.289 -0.514 -2.949) 3.768 2.103 ( -2.289 0.514 -2.949) 3.768 2.630 ( -2.536 -1.035 3.988) 4.838 2.630 ( -2.536 1.035 3.988) 4.838 2.766 ( -1.491 -0.634 2.294) 2.808 2.766 ( -1.491 0.634 2.294) 2.808 2.897 ( 3.496 -0.888 -1.506) 3.909 2.897 ( 3.496 0.888 -1.506) 3.909 3.109 ( -1.034 -3.572 -6.432) 7.430 3.109 ( -1.034 3.572 -6.432) 7.430 3.295 ( -0.230 -6.023 6.267) 8.695 3.295 ( -0.230 6.023 6.267) 8.695 3.399 ( -1.923 -1.242 0.674) 2.386 3.399 ( -1.923 1.242 0.674) 2.386 3.666 ( -2.090 -7.914 6.659) 10.552 3.666 ( -2.090 7.914 6.659) 10.552 3.769 ( -2.164 -3.197 2.283) 4.485 3.769 ( -2.164 3.197 2.283) 4.485 3.936 ( -1.628 -3.070 4.071) 5.352 3.936 ( -1.628 3.070 4.071) 5.352 4.065 ( 1.237 -2.620 5.335) 6.070 4.065 ( 1.237 2.620 5.335) 6.070 4.285 ( -1.122 -6.878 -2.923) 7.557 4.285 ( -1.122 6.878 -2.923) 7.557 4.349 ( -3.247 -4.005 -0.039) 5.156 4.349 ( -3.247 4.005 -0.039) 5.156 4.558 ( 0.936 -2.665 -1.533) 3.214 4.558 ( 0.936 2.665 -1.533) 3.214 4.751 ( -0.997 -4.931 -1.031) 5.135 4.751 ( -0.997 4.931 -1.031) 5.135 4.880 ( 0.323 -3.379 -3.346) 4.767 4.880 ( 0.323 3.379 -3.346) 4.767 5.030 ( -2.878 -5.327 -8.957) 10.811 5.030 ( -2.878 5.327 -8.957) 10.811 5.399 ( 1.902 -2.137 -0.858) 2.987 5.399 ( 1.902 2.137 -0.858) 2.987 5.412 ( 0.290 -3.434 -0.803) 3.538 5.412 ( 0.290 3.434 -0.803) 3.538 5.619 ( -0.900 -2.373 3.123) 4.025 5.619 ( -0.900 2.373 3.123) 4.025 5.685 ( -2.038 -2.595 1.163) 3.498 5.685 ( -2.038 2.595 1.163) 3.498 5.917 ( 10.973 -4.754 5.196) 13.038 5.917 ( 10.973 4.754 5.196) 13.038 6.262 ( 3.777 -1.843 -10.015) 10.861 6.262 ( 3.777 1.843 -10.015) 10.861 6.980 ( -3.836 -0.924 5.160) 6.496 6.980 ( -3.836 0.924 5.160) 6.496 7.125 ( -4.870 -1.381 -0.530) 5.089 7.125 ( -4.870 1.381 -0.530) 5.089 7.467 ( 0.743 -2.328 2.058) 3.195 7.467 ( 0.743 2.328 2.058) 3.195 7.545 ( -0.090 -3.367 -1.842) 3.839 7.545 ( -0.090 3.367 -1.842) 3.839 7.789 ( -1.312 -0.393 4.353) 4.564 7.789 ( -1.312 0.393 4.353) 4.564 7.882 ( -3.514 -1.203 2.577) 4.521 7.882 ( -3.514 1.203 2.577) 4.521 8.100 ( 3.937 -4.055 -2.188) 6.060 8.100 ( 3.937 4.055 -2.188) 6.060 8.254 ( 1.917 -1.333 -5.546) 6.017 8.254 ( 1.917 1.333 -5.546) 6.017 8.506 ( -1.946 -2.125 1.951) 3.479 8.506 ( -1.946 2.125 1.951) 3.479 8.564 ( -2.784 -0.261 -0.546) 2.849 8.564 ( -2.784 0.261 -0.546) 2.849 9.069 ( 3.243 -0.375 8.565) 9.166 9.069 ( 3.243 0.375 8.565) 9.166 9.443 ( 0.785 -0.176 -7.863) 7.904 9.443 ( 0.785 0.176 -7.863) 7.904 10.337 ( -1.991 -0.265 2.980) 3.594 10.337 ( -1.991 0.265 2.980) 3.594 10.422 ( 0.556 -1.411 -0.462) 1.586 10.422 ( 0.556 1.411 -0.462) 1.586 ======================= Grid point 88 (35/48) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 2.802 -1.699 0.660) 3.342 0.625 ( 2.802 1.699 0.660) 3.342 0.678 ( 1.708 -3.761 0.336) 4.144 0.678 ( 1.708 3.761 0.336) 4.144 0.757 ( 2.658 -2.459 1.840) 4.062 0.757 ( 2.658 2.459 1.840) 4.062 0.838 ( 1.061 -2.333 -1.357) 2.900 0.838 ( 1.061 2.333 -1.357) 2.900 0.918 ( -0.298 -1.458 1.812) 2.345 0.918 ( -0.298 1.458 1.812) 2.345 0.968 ( -0.260 -0.899 1.810) 2.037 0.968 ( -0.260 0.899 1.810) 2.037 1.024 ( 1.764 -1.138 -0.788) 2.243 1.024 ( 1.764 1.138 -0.788) 2.243 1.080 ( 0.567 -0.621 -2.261) 2.412 1.080 ( 0.567 0.621 -2.261) 2.412 1.151 ( 4.448 -0.107 0.356) 4.463 1.151 ( 4.448 0.107 0.356) 4.463 1.202 ( 3.704 -1.538 -1.099) 4.159 1.202 ( 3.704 1.538 -1.099) 4.159 1.340 ( 1.200 -2.403 0.611) 2.755 1.340 ( 1.200 2.403 0.611) 2.755 1.378 ( 1.249 -2.189 1.919) 3.168 1.378 ( 1.249 2.189 1.919) 3.168 1.424 ( 2.237 -1.638 -0.137) 2.776 1.424 ( 2.237 1.638 -0.137) 2.776 1.479 ( 1.480 -1.253 -1.172) 2.265 1.479 ( 1.480 1.253 -1.172) 2.265 1.822 ( -5.637 -1.505 2.462) 6.333 1.822 ( -5.637 1.505 2.462) 6.333 1.926 ( -4.515 -0.739 -1.499) 4.814 1.926 ( -4.515 0.739 -1.499) 4.814 2.032 ( 3.979 -3.462 -1.385) 5.453 2.032 ( 3.979 3.462 -1.385) 5.453 2.067 ( 0.160 -1.939 -2.157) 2.905 2.067 ( 0.160 1.939 -2.157) 2.905 2.586 ( -1.907 -1.726 6.351) 6.852 2.586 ( -1.907 1.726 6.351) 6.852 2.701 ( -4.494 -1.089 3.103) 5.568 2.701 ( -4.494 1.089 3.103) 5.568 2.972 ( 3.274 -0.643 -1.697) 3.743 2.972 ( 3.274 0.643 -1.697) 3.743 3.083 ( -1.534 -4.030 -4.910) 6.535 3.083 ( -1.534 4.030 -4.910) 6.535 3.298 ( 0.745 -4.400 5.941) 7.430 3.298 ( 0.745 4.400 5.941) 7.430 3.379 ( 0.224 -4.189 0.932) 4.298 3.379 ( 0.224 4.189 0.932) 4.298 3.580 ( -5.604 -5.365 5.239) 9.361 3.580 ( -5.604 5.365 5.239) 9.361 3.706 ( -4.752 -1.014 -0.081) 4.859 3.706 ( -4.752 1.014 -0.081) 4.859 3.933 ( 1.524 -3.054 4.807) 5.895 3.933 ( 1.524 3.054 4.807) 5.895 4.069 ( -1.087 -2.564 3.827) 4.733 4.069 ( -1.087 2.564 3.827) 4.733 4.261 ( -0.652 -6.456 -2.438) 6.931 4.261 ( -0.652 6.456 -2.438) 6.931 4.304 ( -1.460 -0.743 -1.763) 2.407 4.304 ( -1.460 0.743 -1.763) 2.407 4.583 ( 1.674 -2.841 -0.894) 3.417 4.583 ( 1.674 2.841 -0.894) 3.417 4.722 ( -1.993 -4.495 -2.026) 5.318 4.722 ( -1.993 4.495 -2.026) 5.318 4.892 ( 0.893 -4.174 -1.940) 4.688 4.892 ( 0.893 4.174 -1.940) 4.688 4.982 ( -1.907 -3.965 -5.499) 7.043 4.982 ( -1.907 3.965 -5.499) 7.043 5.412 ( -0.071 -1.642 0.371) 1.685 5.412 ( -0.071 1.642 0.371) 1.685 5.430 ( 0.836 -2.003 -0.665) 2.270 5.430 ( 0.836 2.003 -0.665) 2.270 5.605 ( -0.387 -1.096 2.270) 2.550 5.605 ( -0.387 1.096 2.270) 2.550 5.643 ( -1.993 -0.161 1.016) 2.243 5.643 ( -1.993 0.161 1.016) 2.243 6.166 ( 13.540 -3.211 2.873) 14.209 6.166 ( 13.540 3.211 2.873) 14.209 6.366 ( 6.869 -1.801 -6.538) 9.652 6.366 ( 6.869 1.801 -6.538) 9.652 6.866 ( -7.960 -1.171 4.430) 9.185 6.866 ( -7.960 1.171 4.430) 9.185 6.975 ( -9.793 -1.588 0.183) 9.923 6.975 ( -9.793 1.588 0.183) 9.923 7.505 ( 2.676 -0.987 1.170) 3.083 7.505 ( 2.676 0.987 1.170) 3.083 7.551 ( 0.764 -2.492 -1.099) 2.829 7.551 ( 0.764 2.492 -1.099) 2.829 7.753 ( -2.189 -0.372 2.356) 3.237 7.753 ( -2.189 0.372 2.356) 3.237 7.808 ( -3.720 -0.908 0.484) 3.859 7.808 ( -3.720 0.908 0.484) 3.859 8.193 ( 5.222 -3.319 0.148) 6.189 8.193 ( 5.222 3.319 0.148) 6.189 8.298 ( 2.422 -1.703 -3.398) 4.508 8.298 ( 2.422 1.703 -3.398) 4.508 8.459 ( -2.664 -1.720 1.155) 3.375 8.459 ( -2.664 1.720 1.155) 3.375 8.498 ( -3.683 -0.512 -0.340) 3.734 8.498 ( -3.683 0.512 -0.340) 3.734 9.151 ( 4.897 -0.661 7.529) 9.006 9.151 ( 4.897 0.661 7.529) 9.006 9.432 ( -2.220 -0.408 -4.130) 4.706 9.432 ( -2.220 0.408 -4.130) 4.706 10.319 ( 0.319 -0.259 1.001) 1.082 10.319 ( 0.319 0.259 1.001) 1.082 10.416 ( -1.048 -1.199 -2.339) 2.830 10.416 ( -1.048 1.199 -2.339) 2.830 ======================= Grid point 90 (36/48) ======================= q-point: ( 0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 2.461 -3.786 0.379) 4.532 0.685 ( 2.461 3.786 0.379) 4.532 0.703 ( 0.511 -0.544 0.235) 0.783 0.703 ( 0.511 0.544 0.235) 0.783 0.786 ( 1.409 -1.746 0.590) 2.320 0.786 ( 1.409 1.746 0.590) 2.320 0.830 ( -2.085 -2.001 -0.728) 2.980 0.830 ( -2.085 2.001 -0.728) 2.980 0.930 ( 1.350 -2.135 0.533) 2.582 0.930 ( 1.350 2.135 0.533) 2.582 0.954 ( -0.983 -2.167 -0.134) 2.383 0.954 ( -0.983 2.167 -0.134) 2.383 1.072 ( 2.869 -1.349 1.211) 3.394 1.072 ( 2.869 1.349 1.211) 3.394 1.103 ( 0.685 -1.720 0.562) 1.935 1.103 ( 0.685 1.720 0.562) 1.935 1.197 ( 0.922 -0.763 -1.286) 1.757 1.197 ( 0.922 0.763 -1.286) 1.757 1.225 ( -1.009 -1.908 -1.880) 2.863 1.225 ( -1.009 1.908 -1.880) 2.863 1.355 ( 0.955 -1.010 0.564) 1.501 1.355 ( 0.955 1.010 0.564) 1.501 1.376 ( -0.986 -1.300 0.096) 1.634 1.376 ( -0.986 1.300 0.096) 1.634 1.529 ( 7.216 -0.486 1.045) 7.307 1.529 ( 7.216 0.486 1.045) 7.307 1.593 ( 8.670 -0.536 -1.642) 8.841 1.593 ( 8.670 0.536 -1.642) 8.841 1.681 ( -7.594 -1.185 2.027) 7.949 1.681 ( -7.594 1.185 2.027) 7.949 1.785 ( -9.205 -0.513 -2.280) 9.497 1.785 ( -9.205 0.513 -2.280) 9.497 2.090 ( 2.131 -1.376 -0.870) 2.682 2.090 ( 2.131 1.376 -0.870) 2.682 2.103 ( 1.288 -0.789 -1.262) 1.968 2.103 ( 1.288 0.789 -1.262) 1.968 2.566 ( 0.470 -1.275 5.366) 5.535 2.566 ( 0.470 1.275 5.366) 5.535 2.613 ( -3.956 -0.895 3.588) 5.415 2.613 ( -3.956 0.895 3.588) 5.415 3.018 ( 1.743 -1.313 -1.755) 2.800 3.018 ( 1.743 1.313 -1.755) 2.800 3.052 ( -1.695 -2.666 -2.604) 4.094 3.052 ( -1.695 2.666 -2.604) 4.094 3.331 ( 2.677 -2.603 6.019) 7.083 3.331 ( 2.677 2.603 6.019) 7.083 3.385 ( -1.440 -4.163 4.487) 6.288 3.385 ( -1.440 4.163 4.487) 6.288 3.511 ( 0.726 -0.711 0.401) 1.092 3.511 ( 0.726 0.711 0.401) 1.092 3.594 ( -5.982 -2.160 -0.725) 6.402 3.594 ( -5.982 2.160 -0.725) 6.402 3.979 ( 2.717 -2.615 3.394) 5.073 3.979 ( 2.717 2.615 3.394) 5.073 4.031 ( -2.449 -2.378 2.619) 4.302 4.031 ( -2.449 2.378 2.619) 4.302 4.264 ( 0.718 -4.078 -1.341) 4.353 4.264 ( 0.718 4.078 -1.341) 4.353 4.281 ( -0.954 -2.247 -1.506) 2.868 4.281 ( -0.954 2.247 -1.506) 2.868 4.624 ( 2.469 -2.702 -1.387) 3.914 4.624 ( 2.469 2.702 -1.387) 3.914 4.675 ( -2.660 -3.091 -2.212) 4.639 4.675 ( -2.660 3.091 -2.212) 4.639 4.917 ( 1.602 -3.893 -1.459) 4.456 4.917 ( 1.602 3.893 -1.459) 4.456 4.949 ( -1.627 -3.067 -2.786) 4.452 4.949 ( -1.627 3.067 -2.786) 4.452 5.415 ( 0.534 -1.061 1.024) 1.568 5.415 ( 0.534 1.061 1.024) 1.568 5.430 ( -0.731 -2.171 0.466) 2.338 5.430 ( -0.731 2.171 0.466) 2.338 5.604 ( 0.228 -1.738 0.898) 1.970 5.604 ( 0.228 1.738 0.898) 1.970 5.614 ( -0.907 -0.679 0.561) 1.264 5.614 ( -0.907 0.679 0.561) 1.264 6.423 ( 12.274 -1.324 2.102) 12.523 6.423 ( 12.274 1.324 2.102) 12.523 6.527 ( 8.299 -0.404 -2.812) 8.772 6.527 ( 8.299 0.404 -2.812) 8.772 6.681 ( -9.268 -2.032 2.914) 9.926 6.681 ( -9.268 2.032 2.914) 9.926 6.767 ( -10.928 -1.059 -0.704) 11.002 6.767 ( -10.928 1.059 -0.704) 11.002 7.553 ( 1.937 -1.234 0.915) 2.472 7.553 ( 1.937 1.234 0.915) 2.472 7.569 ( 0.508 -1.316 0.198) 1.425 7.569 ( 0.508 1.316 0.198) 1.425 7.720 ( -0.513 -0.900 0.832) 1.329 7.720 ( -0.513 0.900 0.832) 1.329 7.744 ( -2.626 -1.095 -0.121) 2.847 7.744 ( -2.626 1.095 -0.121) 2.847 8.293 ( 4.619 -2.234 0.462) 5.152 8.293 ( 4.619 2.234 0.462) 5.152 8.341 ( 1.105 -1.444 -1.139) 2.145 8.341 ( 1.105 1.444 -1.139) 2.145 8.406 ( -2.029 -1.271 0.029) 2.395 8.406 ( -2.029 1.271 0.029) 2.395 8.429 ( -3.089 -0.956 -0.615) 3.291 8.429 ( -3.089 0.956 -0.615) 3.291 9.254 ( 5.484 -0.619 4.968) 7.425 9.254 ( 5.484 0.619 4.968) 7.425 9.359 ( -4.910 -0.142 0.845) 4.985 9.359 ( -4.910 0.142 0.845) 4.985 10.344 ( 1.979 -0.251 -1.586) 2.548 10.344 ( 1.979 0.251 -1.586) 2.548 10.385 ( -1.988 -0.811 -2.814) 3.540 10.385 ( -1.988 0.811 -2.814) 3.540 ======================= Grid point 105 (37/48) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 0.000 0.000 -2.864) 2.864 0.573 ( 0.000 0.000 2.864) 2.864 0.654 ( 0.000 0.000 -6.002) 6.002 0.654 ( 0.000 0.000 6.002) 6.002 0.723 ( 0.000 0.000 -1.210) 1.210 0.723 ( 0.000 0.000 1.210) 1.210 0.775 ( 0.000 0.000 -1.236) 1.236 0.775 ( 0.000 0.000 1.236) 1.236 0.869 ( 0.000 0.000 -0.421) 0.421 0.869 ( 0.000 0.000 0.421) 0.421 1.011 ( 0.000 0.000 -0.578) 0.578 1.011 ( 0.000 0.000 0.578) 0.578 1.021 ( 0.000 0.000 -4.041) 4.041 1.021 ( 0.000 0.000 4.041) 4.041 1.026 ( 0.000 0.000 -2.497) 2.497 1.026 ( 0.000 0.000 2.497) 2.497 1.070 ( 0.000 0.000 -3.181) 3.181 1.070 ( 0.000 0.000 3.181) 3.181 1.093 ( 0.000 0.000 -1.646) 1.646 1.093 ( 0.000 0.000 1.646) 1.646 1.339 ( 0.000 0.000 -1.092) 1.092 1.339 ( 0.000 0.000 1.092) 1.092 1.344 ( 0.000 0.000 -3.767) 3.767 1.344 ( 0.000 0.000 3.767) 3.767 1.396 ( 0.000 0.000 -0.375) 0.375 1.396 ( 0.000 0.000 0.375) 0.375 1.515 ( 0.000 0.000 -6.493) 6.493 1.515 ( 0.000 0.000 6.493) 6.493 1.883 ( 0.000 0.000 -0.157) 0.157 1.883 ( 0.000 0.000 0.157) 0.157 1.927 ( 0.000 0.000 -0.760) 0.760 1.927 ( 0.000 0.000 0.760) 0.760 2.053 ( 0.000 0.000 -3.385) 3.385 2.053 ( 0.000 0.000 3.385) 3.385 2.087 ( 0.000 0.000 -2.197) 2.197 2.087 ( 0.000 0.000 2.197) 2.197 2.683 ( 0.000 0.000 -1.118) 1.118 2.683 ( 0.000 0.000 1.118) 1.118 2.791 ( 0.000 0.000 -0.600) 0.600 2.791 ( 0.000 0.000 0.600) 0.600 2.903 ( 0.000 0.000 -2.093) 2.093 2.903 ( 0.000 0.000 2.093) 2.093 3.002 ( 0.000 0.000 -3.872) 3.872 3.002 ( 0.000 0.000 3.872) 3.872 3.376 ( 0.000 0.000 -9.973) 9.973 3.376 ( 0.000 0.000 9.973) 9.973 3.449 ( 0.000 0.000 -1.143) 1.143 3.449 ( 0.000 0.000 1.143) 1.143 3.508 ( 0.000 0.000 -6.346) 6.346 3.508 ( 0.000 0.000 6.346) 6.346 3.957 ( 0.000 0.000 -3.984) 3.984 3.957 ( 0.000 0.000 3.984) 3.984 3.962 ( 0.000 0.000 -3.519) 3.519 3.962 ( 0.000 0.000 3.519) 3.519 4.196 ( 0.000 0.000 -6.881) 6.881 4.196 ( 0.000 0.000 6.881) 6.881 4.262 ( 0.000 0.000 -7.686) 7.686 4.262 ( 0.000 0.000 7.686) 7.686 4.450 ( 0.000 0.000 -0.618) 0.618 4.450 ( 0.000 0.000 0.618) 0.618 4.523 ( 0.000 0.000 -13.326) 13.326 4.523 ( 0.000 0.000 13.326) 13.326 4.666 ( 0.000 0.000 -6.814) 6.814 4.666 ( 0.000 0.000 6.814) 6.814 4.878 ( 0.000 0.000 -11.886) 11.886 4.878 ( 0.000 0.000 11.886) 11.886 4.882 ( 0.000 0.000 -1.087) 1.087 4.882 ( 0.000 0.000 1.087) 1.087 5.355 ( 0.000 0.000 -1.450) 1.450 5.355 ( 0.000 0.000 1.450) 1.450 5.460 ( 0.000 0.000 -1.740) 1.740 5.460 ( 0.000 0.000 1.740) 1.740 5.513 ( 0.000 0.000 -0.224) 0.224 5.513 ( 0.000 0.000 0.224) 0.224 5.883 ( 0.000 0.000 -10.003) 10.003 5.883 ( 0.000 0.000 10.003) 10.003 5.987 ( 0.000 0.000 -6.631) 6.631 5.987 ( 0.000 0.000 6.631) 6.631 5.988 ( 0.000 0.000 -9.994) 9.994 5.988 ( 0.000 0.000 9.994) 9.994 7.068 ( 0.000 0.000 -4.513) 4.513 7.068 ( 0.000 0.000 4.513) 4.513 7.119 ( 0.000 0.000 -1.484) 1.484 7.119 ( 0.000 0.000 1.484) 1.484 7.447 ( 0.000 0.000 -2.722) 2.722 7.447 ( 0.000 0.000 2.722) 2.722 7.570 ( 0.000 0.000 -0.292) 0.292 7.570 ( 0.000 0.000 0.292) 0.292 7.910 ( 0.000 0.000 -1.314) 1.314 7.910 ( 0.000 0.000 1.314) 1.314 7.958 ( 0.000 0.000 -2.881) 2.881 7.958 ( 0.000 0.000 2.881) 2.881 8.062 ( 0.000 0.000 -7.013) 7.013 8.062 ( 0.000 0.000 7.013) 7.013 8.095 ( 0.000 0.000 -4.989) 4.989 8.095 ( 0.000 0.000 4.989) 4.989 8.544 ( 0.000 0.000 -2.941) 2.941 8.544 ( 0.000 0.000 2.941) 2.941 8.590 ( 0.000 0.000 -0.430) 0.430 8.590 ( 0.000 0.000 0.430) 0.430 9.226 ( 0.000 0.000 -9.618) 9.618 9.226 ( 0.000 0.000 9.618) 9.618 9.236 ( 0.000 0.000 -10.272) 10.272 9.236 ( 0.000 0.000 10.272) 10.272 10.377 ( 0.000 0.000 -0.493) 0.493 10.377 ( 0.000 0.000 0.493) 0.493 10.452 ( 0.000 0.000 -1.610) 1.610 10.452 ( 0.000 0.000 1.610) 1.610 ======================= Grid point 107 (38/48) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -1.317 0.000 -1.215) 1.792 0.553 ( -1.317 0.000 1.215) 1.792 0.644 ( 0.130 0.000 -2.311) 2.315 0.644 ( 0.130 0.000 2.311) 2.315 0.750 ( 2.504 0.000 -0.620) 2.580 0.750 ( 2.504 0.000 0.620) 2.580 0.780 ( 1.208 0.000 -1.407) 1.854 0.780 ( 1.208 0.000 1.407) 1.854 0.955 ( 5.476 0.000 -1.002) 5.567 0.955 ( 5.476 0.000 1.002) 5.567 0.994 ( -0.467 0.000 -2.121) 2.172 0.994 ( -0.467 0.000 2.121) 2.172 1.006 ( -0.345 0.000 -1.073) 1.127 1.006 ( -0.345 0.000 1.073) 1.127 1.057 ( 1.694 0.000 -0.037) 1.695 1.057 ( 1.694 0.000 0.037) 1.695 1.069 ( 0.007 0.000 -2.441) 2.441 1.069 ( 0.007 0.000 2.441) 2.441 1.135 ( 4.038 0.000 -3.726) 5.494 1.135 ( 4.038 0.000 3.726) 5.494 1.319 ( -1.203 0.000 -0.508) 1.306 1.319 ( -1.203 0.000 0.508) 1.306 1.368 ( 1.341 0.000 -2.112) 2.502 1.368 ( 1.341 0.000 2.112) 2.502 1.391 ( 0.310 0.000 -1.796) 1.822 1.391 ( 0.310 0.000 1.796) 1.822 1.508 ( -1.088 0.000 -4.826) 4.947 1.508 ( -1.088 0.000 4.826) 4.947 1.854 ( 0.598 0.000 -0.509) 0.785 1.854 ( 0.598 0.000 0.509) 0.785 1.958 ( -1.523 0.000 -1.143) 1.904 1.958 ( -1.523 0.000 1.143) 1.904 2.046 ( -1.927 0.000 -1.394) 2.379 2.046 ( -1.927 0.000 1.394) 2.379 2.060 ( -0.222 0.000 -1.724) 1.738 2.060 ( -0.222 0.000 1.724) 1.738 2.693 ( 0.708 0.000 -1.138) 1.340 2.693 ( 0.708 0.000 1.138) 1.340 2.775 ( -2.903 0.000 -2.889) 4.095 2.775 ( -2.903 0.000 2.889) 4.095 2.916 ( 2.390 0.000 -0.262) 2.404 2.916 ( 2.390 0.000 0.262) 2.404 3.007 ( 0.799 0.000 -4.494) 4.564 3.007 ( 0.799 0.000 4.494) 4.564 3.349 ( -2.520 0.000 -9.246) 9.583 3.349 ( -2.520 0.000 9.246) 9.583 3.448 ( 0.030 0.000 -1.460) 1.460 3.448 ( 0.030 0.000 1.460) 1.460 3.495 ( -1.652 0.000 -4.847) 5.121 3.495 ( -1.652 0.000 4.847) 5.121 3.887 ( -5.003 0.000 -4.858) 6.973 3.887 ( -5.003 0.000 4.858) 6.973 3.983 ( 0.621 0.000 -4.607) 4.649 3.983 ( 0.621 0.000 4.607) 4.649 4.198 ( -1.773 0.000 -6.827) 7.053 4.198 ( -1.773 0.000 6.827) 7.053 4.245 ( 0.239 0.000 -2.981) 2.991 4.245 ( 0.239 0.000 2.981) 2.991 4.458 ( -0.527 0.000 -2.082) 2.148 4.458 ( -0.527 0.000 2.082) 2.148 4.478 ( -2.220 0.000 -8.429) 8.716 4.478 ( -2.220 0.000 8.429) 8.716 4.667 ( -0.418 0.000 -6.251) 6.265 4.667 ( -0.418 0.000 6.251) 6.265 4.855 ( -1.201 0.000 -9.988) 10.060 4.855 ( -1.201 0.000 9.988) 10.060 4.906 ( 1.315 0.000 -1.771) 2.206 4.906 ( 1.315 0.000 1.771) 2.206 5.359 ( 0.535 0.000 -0.835) 0.992 5.359 ( 0.535 0.000 0.835) 0.992 5.466 ( 0.472 0.000 -1.026) 1.129 5.466 ( 0.472 0.000 1.026) 1.129 5.524 ( 1.087 0.000 -0.980) 1.464 5.524 ( 1.087 0.000 0.980) 1.464 5.859 ( -4.078 0.000 -1.395) 4.310 5.859 ( -4.078 0.000 1.395) 4.310 5.961 ( 4.992 0.000 -5.963) 7.777 5.961 ( 4.992 0.000 5.963) 7.777 6.155 ( 10.123 0.000 -2.545) 10.438 6.155 ( 10.123 0.000 2.545) 10.438 7.050 ( -2.845 0.000 -2.427) 3.740 7.050 ( -2.845 0.000 2.427) 3.740 7.072 ( -4.610 0.000 -2.246) 5.128 7.072 ( -4.610 0.000 2.246) 5.128 7.430 ( -0.306 0.000 -1.531) 1.561 7.430 ( -0.306 0.000 1.531) 1.561 7.580 ( 0.427 0.000 -0.055) 0.430 7.580 ( 0.427 0.000 0.055) 0.430 7.862 ( -3.690 0.000 -0.713) 3.759 7.862 ( -3.690 0.000 0.713) 3.759 7.922 ( -3.775 0.000 -2.366) 4.455 7.922 ( -3.775 0.000 2.366) 4.455 8.075 ( 3.458 0.000 -6.915) 7.732 8.075 ( 3.458 0.000 6.915) 7.732 8.180 ( 5.277 0.000 -3.331) 6.240 8.180 ( 5.277 0.000 3.331) 6.240 8.518 ( -2.443 0.000 -2.783) 3.703 8.518 ( -2.443 0.000 2.783) 3.703 8.564 ( -2.474 0.000 -0.426) 2.510 8.564 ( -2.474 0.000 0.426) 2.510 9.251 ( 1.993 0.000 -3.616) 4.129 9.251 ( 1.993 0.000 3.616) 4.129 9.268 ( 3.060 0.000 -3.396) 4.571 9.268 ( 3.060 0.000 3.396) 4.571 10.364 ( -1.156 0.000 -0.288) 1.191 10.364 ( -1.156 0.000 0.288) 1.191 10.428 ( -2.129 0.000 -1.827) 2.805 10.428 ( -2.129 0.000 1.827) 2.805 ======================= Grid point 109 (39/48) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 1.723 0.000 -1.232) 2.118 0.554 ( 1.723 0.000 1.232) 2.118 0.665 ( 1.416 0.000 -0.683) 1.572 0.665 ( 1.416 0.000 0.683) 1.572 0.810 ( 2.489 0.000 -3.328) 4.156 0.810 ( 2.489 0.000 3.328) 4.156 0.837 ( 5.510 0.000 -3.007) 6.277 0.837 ( 5.510 0.000 3.007) 6.277 0.936 ( -3.416 0.000 -0.355) 3.434 0.936 ( -3.416 0.000 0.355) 3.434 0.980 ( -0.431 0.000 -2.679) 2.714 0.980 ( -0.431 0.000 2.679) 2.714 1.063 ( -0.699 0.000 -3.203) 3.278 1.063 ( -0.699 0.000 3.203) 3.278 1.097 ( 2.927 0.000 -2.678) 3.967 1.097 ( 2.927 0.000 2.678) 3.967 1.115 ( 5.951 0.000 -2.952) 6.642 1.115 ( 5.951 0.000 2.952) 6.642 1.236 ( 5.344 0.000 -1.426) 5.531 1.236 ( 5.344 0.000 1.426) 5.531 1.284 ( -2.859 0.000 -0.431) 2.891 1.284 ( -2.859 0.000 0.431) 2.891 1.377 ( 0.850 0.000 -1.090) 1.382 1.377 ( 0.850 0.000 1.090) 1.382 1.442 ( 4.352 0.000 -1.800) 4.710 1.442 ( 4.352 0.000 1.800) 4.710 1.485 ( -0.105 0.000 -1.231) 1.236 1.485 ( -0.105 0.000 1.231) 1.236 1.865 ( -6.863 0.000 -3.141) 7.547 1.865 ( -6.863 0.000 3.141) 7.547 1.916 ( 1.128 0.000 -0.816) 1.392 1.916 ( 1.128 0.000 0.816) 1.392 1.951 ( -2.573 0.000 -0.938) 2.739 1.951 ( -2.573 0.000 0.938) 2.739 2.097 ( 1.592 0.000 -0.827) 1.794 2.097 ( 1.592 0.000 0.827) 1.794 2.683 ( -5.087 0.000 -5.031) 7.155 2.683 ( -5.087 0.000 5.031) 7.155 2.692 ( -1.415 0.000 -0.609) 1.540 2.692 ( -1.415 0.000 0.609) 1.540 2.983 ( 3.489 0.000 -0.459) 3.519 2.983 ( 3.489 0.000 0.459) 3.519 3.052 ( 3.880 0.000 -4.808) 6.178 3.052 ( 3.880 0.000 4.808) 6.178 3.288 ( -3.399 0.000 -7.168) 7.933 3.288 ( -3.399 0.000 7.168) 7.933 3.421 ( -4.484 0.000 -0.085) 4.485 3.421 ( -4.484 0.000 0.085) 4.485 3.472 ( 1.333 0.000 -4.761) 4.944 3.472 ( 1.333 0.000 4.761) 4.944 3.769 ( -6.809 0.000 -5.757) 8.916 3.769 ( -6.809 0.000 5.757) 8.916 3.998 ( 1.063 0.000 -4.610) 4.731 3.998 ( 1.063 0.000 4.610) 4.731 4.130 ( -3.742 0.000 -3.729) 5.283 4.130 ( -3.742 0.000 3.729) 5.283 4.280 ( 2.177 0.000 -0.481) 2.229 4.280 ( 2.177 0.000 0.481) 2.229 4.395 ( -3.180 0.000 -3.498) 4.727 4.395 ( -3.180 0.000 3.498) 4.727 4.502 ( 2.351 0.000 -5.958) 6.405 4.502 ( 2.351 0.000 5.958) 6.405 4.648 ( -1.373 0.000 -6.697) 6.836 4.648 ( -1.373 0.000 6.697) 6.836 4.841 ( -0.078 0.000 -8.137) 8.137 4.841 ( -0.078 0.000 8.137) 8.137 4.919 ( -0.195 0.000 -1.912) 1.922 4.919 ( -0.195 0.000 1.912) 1.922 5.380 ( 1.702 0.000 -0.437) 1.757 5.380 ( 1.702 0.000 0.437) 1.757 5.473 ( 0.116 0.000 -1.112) 1.119 5.473 ( 0.116 0.000 1.112) 1.119 5.552 ( 1.637 0.000 -1.903) 2.510 5.552 ( 1.637 0.000 1.903) 2.510 5.760 ( -5.553 0.000 -0.521) 5.578 5.760 ( -5.553 0.000 0.521) 5.578 6.135 ( 12.062 0.000 -2.669) 12.353 6.135 ( 12.062 0.000 2.669) 12.353 6.357 ( 10.115 0.000 -1.319) 10.200 6.357 ( 10.115 0.000 1.319) 10.200 6.917 ( -9.293 0.000 -0.108) 9.294 6.917 ( -9.293 0.000 0.108) 9.294 6.954 ( -8.595 0.000 -1.263) 8.688 6.954 ( -8.595 0.000 1.263) 8.688 7.462 ( 3.278 0.000 -0.605) 3.334 7.462 ( 3.278 0.000 0.605) 3.334 7.586 ( 0.430 0.000 -0.191) 0.470 7.586 ( 0.430 0.000 0.191) 0.470 7.788 ( -3.447 0.000 -0.129) 3.450 7.788 ( -3.447 0.000 0.129) 3.450 7.843 ( -4.052 0.000 -1.063) 4.189 7.843 ( -4.052 0.000 1.063) 4.189 8.165 ( 5.208 0.000 -4.083) 6.618 8.165 ( 5.208 0.000 4.083) 6.618 8.276 ( 4.339 0.000 -2.041) 4.795 8.276 ( 4.339 0.000 2.041) 4.795 8.459 ( -3.340 0.000 -2.014) 3.901 8.459 ( -3.340 0.000 2.014) 3.901 8.502 ( -3.550 0.000 -0.344) 3.567 8.502 ( -3.550 0.000 0.344) 3.567 9.295 ( 2.238 0.000 -5.506) 5.944 9.295 ( 2.238 0.000 5.506) 5.944 9.326 ( 2.244 0.000 -5.350) 5.801 9.326 ( 2.244 0.000 5.350) 5.801 10.340 ( -1.019 0.000 -1.387) 1.721 10.340 ( -1.019 0.000 1.387) 1.721 10.383 ( -2.189 0.000 -2.370) 3.227 10.383 ( -2.189 0.000 2.370) 3.227 ======================= Grid point 111 (40/48) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 3.594 0.000 -0.892) 3.703 0.611 ( 3.594 0.000 0.892) 3.703 0.670 ( -1.587 0.000 -0.690) 1.731 0.670 ( -1.587 0.000 0.690) 1.731 0.847 ( 1.426 0.000 -0.234) 1.445 0.847 ( 1.426 0.000 0.234) 1.445 0.877 ( -2.061 0.000 -0.419) 2.103 0.877 ( -2.061 0.000 0.419) 2.103 0.949 ( 4.144 0.000 -1.178) 4.308 0.949 ( 4.144 0.000 1.178) 4.308 0.996 ( 0.385 0.000 -3.685) 3.705 0.996 ( 0.385 0.000 3.685) 3.705 1.055 ( 2.632 0.000 -0.163) 2.637 1.055 ( 2.632 0.000 0.163) 2.637 1.148 ( -0.179 0.000 -1.724) 1.733 1.148 ( -0.179 0.000 1.724) 1.733 1.171 ( -0.500 0.000 -3.052) 3.093 1.171 ( -0.500 0.000 3.052) 3.093 1.204 ( -2.857 0.000 -2.340) 3.693 1.204 ( -2.857 0.000 2.340) 3.693 1.324 ( 4.272 0.000 -0.770) 4.341 1.324 ( 4.272 0.000 0.770) 4.341 1.390 ( -1.674 0.000 -0.403) 1.721 1.390 ( -1.674 0.000 0.403) 1.721 1.551 ( 6.791 0.000 -0.424) 6.804 1.551 ( 6.791 0.000 0.424) 6.804 1.568 ( 8.676 0.000 -0.574) 8.695 1.568 ( 8.676 0.000 0.574) 8.695 1.711 ( -8.237 0.000 -2.474) 8.601 1.711 ( -8.237 0.000 2.474) 8.601 1.766 ( -9.707 0.000 -0.909) 9.750 1.766 ( -9.707 0.000 0.909) 9.750 2.045 ( 4.811 0.000 -1.345) 4.995 2.045 ( 4.811 0.000 1.345) 4.995 2.103 ( -1.130 0.000 -0.882) 1.434 2.103 ( -1.130 0.000 0.882) 1.434 2.615 ( -0.880 0.000 -2.259) 2.425 2.615 ( -0.880 0.000 2.259) 2.425 2.645 ( -2.923 0.000 -0.526) 2.970 2.645 ( -2.923 0.000 0.526) 2.970 3.055 ( 3.976 0.000 -0.240) 3.984 3.055 ( 3.976 0.000 0.240) 3.984 3.111 ( 0.024 0.000 -2.248) 2.248 3.111 ( 0.024 0.000 2.248) 2.248 3.245 ( 0.631 0.000 -2.443) 2.523 3.245 ( 0.631 0.000 2.443) 2.523 3.317 ( -5.331 0.000 -0.900) 5.406 3.317 ( -5.331 0.000 0.900) 5.406 3.528 ( 4.289 0.000 -5.401) 6.896 3.528 ( 4.289 0.000 5.401) 6.896 3.635 ( -6.461 0.000 -5.624) 8.566 3.635 ( -6.461 0.000 5.624) 8.566 4.027 ( 1.855 0.000 -3.505) 3.965 4.027 ( 1.855 0.000 3.505) 3.965 4.069 ( -2.511 0.000 -2.770) 3.739 4.069 ( -2.511 0.000 2.770) 3.739 4.316 ( 1.507 0.000 -1.555) 2.165 4.316 ( 1.507 0.000 1.555) 2.165 4.347 ( -1.873 0.000 -1.864) 2.643 4.347 ( -1.873 0.000 1.864) 2.643 4.557 ( 3.052 0.000 -8.059) 8.618 4.557 ( 3.052 0.000 8.059) 8.618 4.612 ( -2.402 0.000 -7.596) 7.966 4.612 ( -2.402 0.000 7.596) 7.966 4.857 ( 1.666 0.000 -5.566) 5.810 4.857 ( 1.666 0.000 5.566) 5.810 4.896 ( -1.957 0.000 -3.559) 4.061 4.896 ( -1.957 0.000 3.559) 4.061 5.424 ( 2.578 0.000 -1.741) 3.111 5.424 ( 2.578 0.000 1.741) 3.111 5.464 ( -1.195 0.000 -2.509) 2.779 5.464 ( -1.195 0.000 2.509) 2.779 5.589 ( 2.365 0.000 -1.672) 2.896 5.589 ( 2.365 0.000 1.672) 2.896 5.656 ( -4.647 0.000 -1.018) 4.757 5.656 ( -4.647 0.000 1.018) 4.757 6.408 ( 15.111 0.000 -0.961) 15.141 6.408 ( 15.111 0.000 0.961) 15.141 6.551 ( 9.752 0.000 -0.546) 9.767 6.551 ( 9.752 0.000 0.546) 9.767 6.699 ( -13.316 0.000 -2.012) 13.467 6.699 ( -13.316 0.000 2.012) 13.467 6.752 ( -10.608 0.000 -1.557) 10.722 6.752 ( -10.608 0.000 1.557) 10.722 7.536 ( 3.710 0.000 -1.468) 3.989 7.536 ( 3.710 0.000 1.468) 3.989 7.586 ( -1.068 0.000 -0.586) 1.218 7.586 ( -1.068 0.000 0.586) 1.218 7.744 ( -0.536 0.000 -0.769) 0.937 7.744 ( -0.536 0.000 0.769) 0.937 7.772 ( -2.937 0.000 -1.051) 3.120 7.772 ( -2.937 0.000 1.051) 3.120 8.268 ( 5.081 0.000 -2.155) 5.519 8.268 ( 5.081 0.000 2.155) 5.519 8.336 ( 0.322 0.000 -1.398) 1.434 8.336 ( 0.322 0.000 1.398) 1.434 8.398 ( -1.333 0.000 -0.813) 1.562 8.398 ( -1.333 0.000 0.813) 1.562 8.435 ( -3.146 0.000 -0.003) 3.146 8.435 ( -3.146 0.000 0.003) 3.146 9.332 ( 1.451 0.000 -2.611) 2.987 9.332 ( 1.451 0.000 2.611) 2.987 9.347 ( 0.015 0.000 -1.791) 1.791 9.347 ( 0.015 0.000 1.791) 1.791 10.332 ( 0.229 0.000 -0.413) 0.472 10.332 ( 0.229 0.000 0.413) 0.472 10.348 ( -1.358 0.000 -1.571) 2.077 10.348 ( -1.358 0.000 1.571) 2.077 ======================= Grid point 119 (41/48) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.000 2.480 -2.105) 3.252 0.603 ( 0.000 2.480 2.105) 3.252 0.645 ( 0.000 -0.799 -4.634) 4.702 0.645 ( 0.000 -0.799 4.634) 4.702 0.710 ( 0.000 0.344 -3.404) 3.422 0.710 ( 0.000 0.344 3.404) 3.422 0.831 ( 0.000 -3.583 -2.652) 4.457 0.831 ( 0.000 -3.583 2.652) 4.457 0.835 ( 0.000 4.916 -4.850) 6.906 0.835 ( 0.000 4.916 4.850) 6.906 0.987 ( 0.000 -2.733 -1.845) 3.297 0.987 ( 0.000 -2.733 1.845) 3.297 1.027 ( 0.000 0.208 -2.714) 2.722 1.027 ( 0.000 0.208 2.714) 2.722 1.034 ( 0.000 0.568 -1.840) 1.925 1.034 ( 0.000 0.568 1.840) 1.925 1.073 ( 0.000 0.726 -3.666) 3.737 1.073 ( 0.000 0.726 3.666) 3.737 1.093 ( 0.000 -0.034 -2.029) 2.029 1.093 ( 0.000 -0.034 2.029) 2.029 1.339 ( 0.000 0.129 -1.138) 1.145 1.339 ( 0.000 0.129 1.138) 1.145 1.351 ( 0.000 0.342 -2.978) 2.997 1.351 ( 0.000 0.342 2.978) 2.997 1.414 ( 0.000 2.130 -3.394) 4.007 1.414 ( 0.000 2.130 3.394) 4.007 1.504 ( 0.000 -1.282 -5.926) 6.063 1.504 ( 0.000 -1.282 5.926) 6.063 1.878 ( 0.000 -0.405 -0.593) 0.718 1.878 ( 0.000 -0.405 0.593) 0.718 1.908 ( 0.000 -1.828 -1.161) 2.165 1.908 ( 0.000 -1.828 1.161) 2.165 2.059 ( 0.000 0.603 -2.739) 2.805 2.059 ( 0.000 0.603 2.739) 2.805 2.085 ( 0.000 -0.333 -2.290) 2.314 2.085 ( 0.000 -0.333 2.290) 2.314 2.689 ( 0.000 0.732 -2.063) 2.189 2.689 ( 0.000 0.732 2.063) 2.189 2.756 ( 0.000 -2.903 -3.489) 4.539 2.756 ( 0.000 -2.903 3.489) 4.539 2.925 ( 0.000 2.226 -5.052) 5.520 2.925 ( 0.000 2.226 5.052) 5.520 3.004 ( 0.000 -0.594 -6.613) 6.640 3.004 ( 0.000 -0.594 6.613) 6.640 3.372 ( 0.000 0.468 -5.963) 5.982 3.372 ( 0.000 0.468 5.963) 5.982 3.433 ( 0.000 -1.640 -1.095) 1.973 3.433 ( 0.000 -1.640 1.095) 1.973 3.619 ( 0.000 10.239 -4.584) 11.218 3.619 ( 0.000 10.239 4.584) 11.218 3.916 ( 0.000 -4.680 -2.733) 5.419 3.916 ( 0.000 -4.680 2.733) 5.419 3.983 ( 0.000 3.084 -4.510) 5.464 3.983 ( 0.000 3.084 4.510) 5.464 4.183 ( 0.000 -2.722 -10.490) 10.837 4.183 ( 0.000 -2.722 10.490) 10.837 4.259 ( 0.000 -0.047 -7.330) 7.331 4.259 ( 0.000 -0.047 7.330) 7.331 4.331 ( 0.000 -6.783 -8.173) 10.621 4.331 ( 0.000 -6.783 8.173) 10.621 4.638 ( 0.000 7.121 -5.143) 8.784 4.638 ( 0.000 7.121 5.143) 8.784 4.703 ( 0.000 3.196 -9.465) 9.990 4.703 ( 0.000 3.196 9.465) 9.990 4.861 ( 0.000 -1.596 -11.949) 12.055 4.861 ( 0.000 -1.596 11.949) 12.055 4.866 ( 0.000 -1.747 -1.178) 2.107 4.866 ( 0.000 -1.747 1.178) 2.107 5.357 ( 0.000 0.519 -1.227) 1.332 5.357 ( 0.000 0.519 1.227) 1.332 5.432 ( 0.000 -2.598 -1.819) 3.172 5.432 ( 0.000 -2.598 1.819) 3.172 5.567 ( 0.000 5.408 -0.821) 5.470 5.567 ( 0.000 5.408 0.821) 5.470 5.820 ( 0.000 -6.301 -5.891) 8.626 5.820 ( 0.000 -6.301 5.891) 8.626 5.990 ( 0.000 0.191 -10.452) 10.454 5.990 ( 0.000 0.191 10.452) 10.454 5.991 ( 0.000 0.246 -9.764) 9.767 5.991 ( 0.000 0.246 9.764) 9.767 7.084 ( 0.000 1.650 -4.370) 4.671 7.084 ( 0.000 1.650 4.370) 4.671 7.127 ( 0.000 0.351 -2.860) 2.881 7.127 ( 0.000 0.351 2.860) 2.881 7.462 ( 0.000 1.812 -1.330) 2.248 7.462 ( 0.000 1.812 1.330) 2.248 7.553 ( 0.000 -1.848 -1.831) 2.601 7.553 ( 0.000 -1.848 1.831) 2.601 7.910 ( 0.000 0.136 -3.819) 3.821 7.910 ( 0.000 0.136 3.819) 3.821 7.944 ( 0.000 -1.390 -4.514) 4.723 7.944 ( 0.000 -1.390 4.514) 4.723 8.070 ( 0.000 0.793 -7.341) 7.384 8.070 ( 0.000 0.793 7.341) 7.384 8.094 ( 0.000 -0.206 -6.036) 6.039 8.094 ( 0.000 -0.206 6.036) 6.039 8.551 ( 0.000 0.712 -2.594) 2.690 8.551 ( 0.000 0.712 2.594) 2.690 8.583 ( 0.000 -0.710 -0.819) 1.084 8.583 ( 0.000 -0.710 0.819) 1.084 9.228 ( 0.000 0.190 -9.738) 9.740 9.228 ( 0.000 0.190 9.738) 9.740 9.235 ( 0.000 -0.130 -10.205) 10.206 9.235 ( 0.000 -0.130 10.205) 10.206 10.386 ( 0.000 0.990 -0.556) 1.135 10.386 ( 0.000 0.990 0.556) 1.135 10.439 ( 0.000 -1.364 -1.244) 1.846 10.439 ( 0.000 -1.364 1.244) 1.846 ======================= Grid point 121 (42/48) ======================= q-point: ( 0.14 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -0.933 2.736 -1.155) 3.113 0.585 ( -0.933 2.736 1.155) 3.113 0.657 ( 1.108 0.605 -3.996) 4.191 0.657 ( 1.108 0.605 3.996) 4.191 0.724 ( 1.624 -0.464 -2.789) 3.260 0.724 ( 1.624 -0.464 2.789) 3.260 0.805 ( 0.483 0.548 -4.013) 4.079 0.805 ( 0.483 0.548 4.013) 4.079 0.928 ( 4.714 -0.712 -2.623) 5.441 0.928 ( 4.714 -0.712 2.623) 5.441 0.988 ( -0.171 -0.674 -1.155) 1.348 0.988 ( -0.171 -0.674 1.155) 1.348 1.017 ( -0.321 0.329 -1.808) 1.865 1.017 ( -0.321 0.329 1.808) 1.865 1.049 ( 1.233 -1.095 -1.137) 2.003 1.049 ( 1.233 -1.095 1.137) 2.003 1.080 ( 0.775 1.063 -2.101) 2.479 1.080 ( 0.775 1.063 2.101) 2.479 1.125 ( 3.421 -1.161 -2.424) 4.351 1.125 ( 3.421 -1.161 2.424) 4.351 1.335 ( -0.172 1.361 -1.560) 2.078 1.335 ( -0.172 1.361 1.560) 2.078 1.368 ( 1.248 -0.221 -0.623) 1.412 1.368 ( 1.248 -0.221 0.623) 1.412 1.402 ( -0.356 1.642 -2.381) 2.914 1.402 ( -0.356 1.642 2.381) 2.914 1.492 ( -1.431 -1.765 -4.441) 4.989 1.492 ( -1.431 -1.765 4.441) 4.989 1.866 ( 1.161 1.343 -1.204) 2.145 1.866 ( 1.161 1.343 1.204) 2.145 1.944 ( 0.113 -1.620 -0.801) 1.810 1.944 ( 0.113 -1.620 0.801) 1.810 2.044 ( -1.099 -0.224 -2.053) 2.340 2.044 ( -1.099 -0.224 2.053) 2.340 2.052 ( -2.570 -0.538 -2.210) 3.432 2.052 ( -2.570 -0.538 2.210) 3.432 2.698 ( 0.586 0.714 -1.070) 1.413 2.698 ( 0.586 0.714 1.070) 1.413 2.758 ( -0.882 -1.807 -1.544) 2.535 2.758 ( -0.882 -1.807 1.544) 2.535 2.926 ( 0.980 1.606 -2.797) 3.371 2.926 ( 0.980 1.606 2.797) 3.371 3.006 ( 0.326 -0.805 -5.999) 6.062 3.006 ( 0.326 -0.805 5.999) 6.062 3.348 ( -2.188 0.793 -5.000) 5.515 3.348 ( -2.188 0.793 5.000) 5.515 3.428 ( -0.299 -1.984 -0.871) 2.187 3.428 ( -0.299 -1.984 0.871) 2.187 3.601 ( -2.043 9.621 -3.686) 10.504 3.601 ( -2.043 9.621 3.686) 10.504 3.871 ( -4.397 -2.842 -2.426) 5.770 3.871 ( -4.397 -2.842 2.426) 5.770 3.989 ( 0.575 1.918 -5.712) 6.053 3.989 ( 0.575 1.918 5.712) 6.053 4.192 ( -0.135 -5.024 -8.077) 9.513 4.192 ( -0.135 -5.024 8.077) 9.513 4.214 ( -2.757 1.069 -6.135) 6.810 4.214 ( -2.757 1.069 6.135) 6.810 4.332 ( -0.400 -6.518 -5.969) 8.847 4.332 ( -0.400 -6.518 5.969) 8.847 4.610 ( -1.778 7.186 -3.196) 8.063 4.610 ( -1.778 7.186 3.196) 8.063 4.691 ( -1.271 1.990 -7.209) 7.586 4.691 ( -1.271 1.990 7.209) 7.586 4.843 ( -0.493 -0.823 -7.273) 7.336 4.843 ( -0.493 -0.823 7.273) 7.336 4.897 ( 1.615 -1.312 -2.645) 3.366 4.897 ( 1.615 -1.312 2.645) 3.366 5.367 ( 0.928 0.981 -0.648) 1.498 5.367 ( 0.928 0.981 0.648) 1.498 5.442 ( 0.840 -2.261 -1.015) 2.617 5.442 ( 0.840 -2.261 1.015) 2.617 5.567 ( 0.152 4.577 -0.099) 4.581 5.567 ( 0.152 4.577 0.099) 4.581 5.793 ( -2.672 -5.922 -1.598) 6.690 5.793 ( -2.672 -5.922 1.598) 6.690 6.004 ( 4.966 3.441 -5.121) 7.920 6.004 ( 4.966 3.441 5.121) 7.920 6.127 ( 9.328 -2.832 -3.412) 10.328 6.127 ( 9.328 -2.832 3.412) 10.328 7.056 ( -3.489 0.924 -3.332) 4.912 7.056 ( -3.489 0.924 3.332) 4.912 7.083 ( -4.500 0.525 -3.375) 5.650 7.083 ( -4.500 0.525 3.375) 5.650 7.452 ( -0.009 2.417 -1.166) 2.683 7.452 ( -0.009 2.417 1.166) 2.683 7.560 ( 0.400 -2.132 -1.595) 2.692 7.560 ( 0.400 -2.132 1.595) 2.692 7.862 ( -3.723 0.124 -1.800) 4.137 7.862 ( -3.723 0.124 1.800) 4.137 7.901 ( -3.772 -1.895 -2.897) 5.120 7.901 ( -3.772 -1.895 2.897) 5.120 8.098 ( 3.642 2.169 -5.993) 7.340 8.098 ( 3.642 2.169 5.993) 7.340 8.169 ( 4.994 -1.195 -3.770) 6.371 8.169 ( 4.994 -1.195 3.770) 6.371 8.525 ( -2.424 0.757 -2.401) 3.495 8.525 ( -2.424 0.757 2.401) 3.495 8.558 ( -2.430 -0.686 -0.624) 2.601 8.558 ( -2.430 -0.686 0.624) 2.601 9.254 ( 2.120 0.257 -3.604) 4.189 9.254 ( 2.120 0.257 3.604) 4.189 9.266 ( 2.875 -0.272 -3.445) 4.495 9.266 ( 2.875 -0.272 3.445) 4.495 10.372 ( -1.235 0.885 -0.539) 1.613 10.372 ( -1.235 0.885 0.539) 1.613 10.417 ( -1.911 -1.112 -1.543) 2.696 10.417 ( -1.911 -1.112 1.543) 2.696 ======================= Grid point 123 (43/48) ======================= q-point: ( 0.29 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 1.561 3.290 -1.023) 3.782 0.590 ( 1.561 3.290 1.023) 3.782 0.683 ( 1.374 1.157 -2.571) 3.137 0.683 ( 1.374 1.157 2.571) 3.137 0.774 ( 2.886 -1.727 -2.707) 4.317 0.774 ( 2.886 -1.727 2.707) 4.317 0.844 ( 3.101 -0.754 -2.483) 4.044 0.844 ( 3.101 -0.754 2.483) 4.044 0.934 ( -2.344 0.503 -0.255) 2.411 0.934 ( -2.344 0.503 0.255) 2.411 0.988 ( 0.168 0.811 -2.742) 2.865 0.988 ( 0.168 0.811 2.742) 2.865 1.036 ( 0.139 -2.096 -2.502) 3.267 1.036 ( 0.139 -2.096 2.502) 3.267 1.075 ( 2.717 -2.057 -1.144) 3.595 1.075 ( 2.717 -2.057 1.144) 3.595 1.140 ( 4.488 1.591 -0.707) 4.814 1.140 ( 4.488 1.591 0.707) 4.814 1.207 ( 3.304 -2.208 -2.010) 4.453 1.207 ( 3.304 -2.208 2.010) 4.453 1.326 ( -0.721 3.100 -2.296) 3.925 1.326 ( -0.721 3.100 2.296) 3.925 1.379 ( 0.450 0.045 -1.230) 1.310 1.379 ( 0.450 0.045 1.230) 1.310 1.439 ( 3.926 -0.112 -2.089) 4.449 1.439 ( 3.926 -0.112 2.089) 4.449 1.474 ( 0.927 -1.181 -1.317) 1.997 1.474 ( 0.927 -1.181 1.317) 1.997 1.863 ( -5.962 0.234 -2.505) 6.471 1.863 ( -5.962 0.234 2.505) 6.471 1.905 ( -3.460 -1.161 -1.300) 3.874 1.905 ( -3.460 -1.161 1.300) 3.874 1.980 ( 0.870 2.649 -1.721) 3.276 1.980 ( 0.870 2.649 1.721) 3.276 2.076 ( 2.073 -2.088 -0.392) 2.969 2.076 ( 2.073 -2.088 0.392) 2.969 2.686 ( -2.813 0.647 -3.345) 4.418 2.686 ( -2.813 0.647 3.345) 4.418 2.705 ( -3.156 0.726 -4.077) 5.206 2.705 ( -3.156 0.726 4.077) 5.206 2.974 ( 3.140 -0.584 -0.446) 3.225 2.974 ( 3.140 -0.584 0.446) 3.225 3.024 ( 1.588 -2.410 -4.561) 5.397 3.024 ( 1.588 -2.410 4.561) 5.397 3.306 ( -1.444 2.632 -2.845) 4.136 3.306 ( -1.444 2.632 2.845) 4.136 3.431 ( 0.418 -1.649 -2.934) 3.391 3.431 ( 0.418 -1.649 2.934) 3.391 3.537 ( -3.986 7.802 -3.828) 9.561 3.537 ( -3.986 7.802 3.828) 9.561 3.755 ( -6.977 -2.056 -3.194) 7.944 3.755 ( -6.977 -2.056 3.194) 7.944 4.005 ( 1.046 1.311 -5.343) 5.600 4.005 ( 1.046 1.311 5.343) 5.600 4.123 ( -3.723 -1.382 -1.931) 4.416 4.123 ( -3.723 -1.382 1.931) 4.416 4.234 ( 1.995 -3.209 -5.611) 6.765 4.234 ( 1.995 -3.209 5.611) 6.765 4.314 ( -1.176 -5.642 -3.993) 7.011 4.314 ( -1.176 -5.642 3.993) 7.011 4.592 ( -0.056 5.842 -4.078) 7.125 4.592 ( -0.056 5.842 4.078) 7.125 4.662 ( -1.475 1.130 -6.004) 6.285 4.662 ( -1.475 1.130 6.004) 6.285 4.845 ( 0.753 0.890 -5.573) 5.694 4.845 ( 0.753 0.890 5.573) 5.694 4.918 ( 0.306 -0.760 -0.671) 1.059 4.918 ( 0.306 -0.760 0.671) 1.059 5.390 ( 1.389 1.151 -0.196) 1.814 5.390 ( 1.389 1.151 0.196) 1.814 5.457 ( 0.437 -1.683 -0.708) 1.878 5.457 ( 0.437 -1.683 0.708) 1.878 5.575 ( 0.674 2.648 -1.000) 2.910 5.575 ( 0.674 2.648 1.000) 2.910 5.722 ( -4.197 -3.835 -0.426) 5.701 5.722 ( -4.197 -3.835 0.426) 5.701 6.170 ( 11.386 3.544 -2.469) 12.178 6.170 ( 11.386 3.544 2.469) 12.178 6.324 ( 10.323 -3.454 -1.614) 11.004 6.324 ( 10.323 -3.454 1.614) 11.004 6.927 ( -9.160 0.955 -2.078) 9.441 6.927 ( -9.160 0.955 2.078) 9.441 6.954 ( -8.953 -0.128 -2.353) 9.258 6.954 ( -8.953 -0.128 2.353) 9.258 7.482 ( 2.864 2.117 -0.236) 3.569 7.482 ( 2.864 2.117 0.236) 3.569 7.571 ( 0.817 -1.706 -0.932) 2.108 7.571 ( 0.817 -1.706 0.932) 2.108 7.787 ( -3.548 0.037 -0.587) 3.596 7.787 ( -3.548 0.037 0.587) 3.596 7.823 ( -3.866 -1.771 -1.349) 4.461 7.823 ( -3.866 -1.771 1.349) 4.461 8.186 ( 4.947 2.128 -3.600) 6.478 8.186 ( 4.947 2.128 3.600) 6.478 8.263 ( 4.442 -1.375 -2.258) 5.170 8.263 ( 4.442 -1.375 2.258) 5.170 8.466 ( -3.377 0.734 -1.729) 3.864 8.466 ( -3.377 0.734 1.729) 3.864 8.497 ( -3.497 -0.576 -0.427) 3.570 8.497 ( -3.497 -0.576 0.427) 3.570 9.299 ( 2.243 0.453 -5.461) 5.921 9.299 ( 2.243 0.453 5.461) 5.921 9.321 ( 2.248 -0.513 -5.346) 5.822 9.321 ( 2.248 -0.513 5.346) 5.822 10.346 ( -1.159 0.651 -1.508) 2.011 10.346 ( -1.159 0.651 1.508) 2.011 10.377 ( -1.984 -0.685 -2.199) 3.040 10.377 ( -1.984 -0.685 2.199) 3.040 ======================= Grid point 125 (44/48) ======================= q-point: ( 0.43 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 3.131 2.866 -1.110) 4.388 0.639 ( 3.131 2.866 1.110) 4.388 0.690 ( -1.308 1.957 -1.379) 2.728 0.690 ( -1.308 1.957 1.379) 2.728 0.820 ( 1.918 -2.454 -0.802) 3.216 0.820 ( 1.918 -2.454 0.802) 3.216 0.855 ( -1.769 -2.286 -0.946) 3.042 0.855 ( -1.769 -2.286 0.946) 3.042 0.940 ( 2.487 -0.629 -0.909) 2.722 0.940 ( 2.487 -0.629 0.909) 2.722 0.983 ( -1.609 -1.899 -2.016) 3.203 0.983 ( -1.609 -1.899 2.016) 3.203 1.066 ( 4.527 1.704 -0.560) 4.869 1.066 ( 4.527 1.704 0.560) 4.869 1.137 ( 2.138 -1.187 -1.283) 2.762 1.137 ( 2.138 -1.187 1.283) 2.762 1.173 ( -1.933 0.316 -0.956) 2.180 1.173 ( -1.933 0.316 0.956) 2.180 1.200 ( -2.219 -0.528 -2.078) 3.086 1.200 ( -2.219 -0.528 2.078) 3.086 1.342 ( 2.594 1.650 -0.633) 3.139 1.342 ( 2.594 1.650 0.633) 3.139 1.385 ( -1.039 -0.574 -0.812) 1.438 1.385 ( -1.039 -0.574 0.812) 1.438 1.552 ( 7.207 0.096 -0.888) 7.262 1.552 ( 7.207 0.096 0.888) 7.262 1.565 ( 8.144 -0.345 -0.353) 8.159 1.565 ( 8.144 -0.345 0.353) 8.159 1.715 ( -8.220 0.523 -2.246) 8.537 1.715 ( -8.220 0.523 2.246) 8.537 1.755 ( -9.348 -1.131 -1.379) 9.516 1.755 ( -9.348 -1.131 1.379) 9.516 2.059 ( 3.995 1.402 -0.973) 4.344 2.059 ( 3.995 1.402 0.973) 4.344 2.100 ( -0.084 -0.422 -0.515) 0.671 2.100 ( -0.084 -0.422 0.515) 0.671 2.627 ( -1.362 1.090 -1.880) 2.565 2.627 ( -1.362 1.090 1.880) 2.565 2.648 ( -2.817 0.203 -1.406) 3.155 2.648 ( -2.817 0.203 1.406) 3.155 3.026 ( 2.101 -2.235 -1.440) 3.389 3.026 ( 2.101 -2.235 1.440) 3.389 3.049 ( 0.159 -4.133 -2.890) 5.046 3.049 ( 0.159 -4.133 2.890) 5.046 3.313 ( 2.450 5.693 -1.102) 6.295 3.313 ( 2.450 5.693 1.102) 6.295 3.391 ( -4.633 5.635 -1.751) 7.502 3.391 ( -4.633 5.635 1.751) 7.502 3.521 ( 3.193 -0.452 -4.656) 5.664 3.521 ( 3.193 -0.452 4.656) 5.664 3.620 ( -6.374 -1.938 -3.955) 7.747 3.620 ( -6.374 -1.938 3.955) 7.747 4.030 ( 1.524 0.596 -3.398) 3.772 4.030 ( 1.524 0.596 3.398) 3.772 4.066 ( -2.220 -0.338 -1.840) 2.903 4.066 ( -2.220 -0.338 1.840) 2.903 4.269 ( 1.464 -3.880 -3.690) 5.551 4.269 ( 1.464 -3.880 3.690) 5.551 4.292 ( -1.041 -4.439 -3.132) 5.532 4.292 ( -1.041 -4.439 3.132) 5.532 4.604 ( 1.203 3.554 -5.093) 6.326 4.604 ( 1.203 3.554 5.093) 6.326 4.633 ( -1.566 1.663 -5.465) 5.924 4.633 ( -1.566 1.663 5.465) 5.924 4.872 ( 1.817 1.555 -3.794) 4.485 4.872 ( 1.817 1.555 3.794) 4.485 4.906 ( -1.393 0.611 -1.898) 2.432 4.906 ( -1.393 0.611 1.898) 2.432 5.422 ( 1.870 -0.015 -1.145) 2.193 5.422 ( 1.870 -0.015 1.145) 2.193 5.453 ( -0.945 -1.155 -1.792) 2.333 5.453 ( -0.945 -1.155 1.792) 2.333 5.596 ( 1.572 0.824 -1.164) 2.123 5.596 ( 1.572 0.824 1.164) 2.123 5.644 ( -3.415 -1.277 -0.709) 3.714 5.644 ( -3.415 -1.277 0.709) 3.714 6.426 ( 13.990 1.887 -0.920) 14.146 6.426 ( 13.990 1.887 0.920) 14.146 6.524 ( 9.738 -2.613 -0.597) 10.100 6.524 ( 9.738 -2.613 0.597) 10.100 6.714 ( -12.214 1.329 -2.054) 12.457 6.714 ( -12.214 1.329 2.054) 12.457 6.749 ( -10.795 -0.383 -0.773) 10.830 6.749 ( -10.795 -0.383 0.773) 10.830 7.546 ( 3.123 1.038 -1.053) 3.455 7.546 ( 3.123 1.038 1.053) 3.455 7.583 ( -0.285 -0.484 -0.571) 0.801 7.583 ( -0.285 -0.484 0.571) 0.801 7.737 ( -1.041 -0.517 -0.490) 1.261 7.737 ( -1.041 -0.517 0.490) 1.261 7.757 ( -2.641 -1.384 -1.030) 3.155 7.757 ( -2.641 -1.384 1.030) 3.155 8.283 ( 4.686 1.521 -1.868) 5.269 8.283 ( 4.686 1.521 1.868) 5.269 8.333 ( 1.731 -0.515 -1.099) 2.114 8.333 ( 1.731 -0.515 1.099) 2.114 8.401 ( -2.298 0.403 -0.779) 2.460 8.401 ( -2.298 0.403 0.779) 2.460 8.430 ( -3.243 -0.632 -0.404) 3.329 8.430 ( -3.243 -0.632 0.404) 3.329 9.334 ( 1.250 0.229 -2.485) 2.792 9.334 ( 1.250 0.229 2.485) 2.792 9.345 ( 0.236 -0.249 -1.906) 1.937 9.345 ( 0.236 -0.249 1.906) 1.937 10.334 ( -0.004 0.253 -0.580) 0.633 10.334 ( -0.004 0.253 0.580) 0.633 10.346 ( -1.126 -0.247 -1.397) 1.812 10.346 ( -1.126 -0.247 1.397) 1.812 ======================= Grid point 133 (45/48) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.000 -0.780 -1.984) 2.132 0.631 ( 0.000 0.780 -1.984) 2.132 0.631 ( 0.000 -0.780 1.984) 2.132 0.631 ( 0.000 0.780 1.984) 2.132 0.757 ( 0.000 -4.228 -3.715) 5.628 0.757 ( 0.000 4.228 -3.715) 5.628 0.757 ( 0.000 -4.228 3.715) 5.628 0.757 ( 0.000 4.228 3.715) 5.628 0.922 ( 0.000 -4.424 -3.041) 5.369 0.922 ( 0.000 4.424 -3.041) 5.369 0.922 ( 0.000 -4.424 3.041) 5.369 0.922 ( 0.000 4.424 3.041) 5.369 1.033 ( 0.000 -0.358 -2.228) 2.257 1.033 ( 0.000 0.358 -2.228) 2.257 1.033 ( 0.000 -0.358 2.228) 2.257 1.033 ( 0.000 0.358 2.228) 2.257 1.088 ( 0.000 -0.640 -2.735) 2.809 1.088 ( 0.000 0.640 -2.735) 2.809 1.088 ( 0.000 -0.640 2.735) 2.809 1.088 ( 0.000 0.640 2.735) 2.809 1.347 ( 0.000 -0.643 -1.298) 1.449 1.347 ( 0.000 0.643 -1.298) 1.449 1.347 ( 0.000 -0.643 1.298) 1.449 1.347 ( 0.000 0.643 1.298) 1.449 1.465 ( 0.000 -2.974 -4.831) 5.673 1.465 ( 0.000 2.974 -4.831) 5.673 1.465 ( 0.000 -2.974 4.831) 5.673 1.465 ( 0.000 2.974 4.831) 5.673 1.880 ( 0.000 -0.901 -1.271) 1.557 1.880 ( 0.000 0.901 -1.271) 1.557 1.880 ( 0.000 -0.901 1.271) 1.557 1.880 ( 0.000 0.901 1.271) 1.557 2.073 ( 0.000 -0.905 -2.254) 2.429 2.073 ( 0.000 0.905 -2.254) 2.429 2.073 ( 0.000 -0.905 2.254) 2.429 2.073 ( 0.000 0.905 2.254) 2.429 2.712 ( 0.000 -1.887 -3.236) 3.746 2.712 ( 0.000 1.887 -3.236) 3.746 2.712 ( 0.000 -1.887 3.236) 3.746 2.712 ( 0.000 1.887 3.236) 3.746 2.972 ( 0.000 -2.674 -7.391) 7.860 2.972 ( 0.000 2.674 -7.391) 7.860 2.972 ( 0.000 -2.674 7.391) 7.860 2.972 ( 0.000 2.674 7.391) 7.860 3.398 ( 0.000 -2.062 -2.855) 3.521 3.398 ( 0.000 2.062 -2.855) 3.521 3.398 ( 0.000 -2.062 2.855) 3.521 3.398 ( 0.000 2.062 2.855) 3.521 3.800 ( 0.000 -8.571 -3.478) 9.250 3.800 ( 0.000 -8.571 3.478) 9.250 3.800 ( 0.000 8.571 -3.478) 9.250 3.800 ( 0.000 8.571 3.478) 9.250 4.076 ( 0.000 -7.195 -5.557) 9.091 4.076 ( 0.000 7.195 -5.557) 9.091 4.076 ( 0.000 -7.195 5.557) 9.091 4.076 ( 0.000 7.195 5.557) 9.091 4.268 ( 0.000 -1.255 -2.730) 3.004 4.268 ( 0.000 1.255 -2.730) 3.004 4.268 ( 0.000 -1.255 2.730) 3.004 4.268 ( 0.000 1.255 2.730) 3.004 4.730 ( 0.000 -1.916 -7.149) 7.401 4.730 ( 0.000 1.916 -7.149) 7.401 4.730 ( 0.000 -1.916 7.149) 7.401 4.730 ( 0.000 1.916 7.149) 7.401 4.839 ( 0.000 -0.054 -6.018) 6.018 4.839 ( 0.000 0.054 -6.018) 6.018 4.839 ( 0.000 -0.054 6.018) 6.018 4.839 ( 0.000 0.054 6.018) 6.018 5.383 ( 0.000 -2.427 -1.095) 2.662 5.383 ( 0.000 -2.427 1.095) 2.662 5.383 ( 0.000 2.427 -1.095) 2.662 5.383 ( 0.000 2.427 1.095) 2.662 5.688 ( 0.000 -7.664 -2.395) 8.029 5.688 ( 0.000 -7.664 2.395) 8.029 5.688 ( 0.000 7.664 -2.395) 8.029 5.688 ( 0.000 7.664 2.395) 8.029 5.993 ( 0.000 -0.047 -11.035) 11.036 5.993 ( 0.000 0.047 -11.035) 11.036 5.993 ( 0.000 -0.047 11.035) 11.036 5.993 ( 0.000 0.047 11.035) 11.036 7.116 ( 0.000 -1.542 -3.876) 4.171 7.116 ( 0.000 1.542 -3.876) 4.171 7.116 ( 0.000 -1.542 3.876) 4.171 7.116 ( 0.000 1.542 3.876) 4.171 7.508 ( 0.000 -2.925 -1.920) 3.499 7.508 ( 0.000 -2.925 1.920) 3.499 7.508 ( 0.000 2.925 -1.920) 3.499 7.508 ( 0.000 2.925 1.920) 3.499 7.920 ( 0.000 -1.030 -5.242) 5.343 7.920 ( 0.000 1.030 -5.242) 5.343 7.920 ( 0.000 -1.030 5.242) 5.343 7.920 ( 0.000 1.030 5.242) 5.343 8.085 ( 0.000 -0.758 -7.147) 7.187 8.085 ( 0.000 0.758 -7.147) 7.187 8.085 ( 0.000 -0.758 7.147) 7.187 8.085 ( 0.000 0.758 7.147) 7.187 8.567 ( 0.000 -1.004 -1.731) 2.001 8.567 ( 0.000 1.004 -1.731) 2.001 8.567 ( 0.000 -1.004 1.731) 2.001 8.567 ( 0.000 1.004 1.731) 2.001 9.232 ( 0.000 -0.216 -9.997) 9.999 9.232 ( 0.000 0.216 -9.997) 9.999 9.232 ( 0.000 -0.216 9.997) 9.999 9.232 ( 0.000 0.216 9.997) 9.999 10.410 ( 0.000 -1.633 -0.738) 1.793 10.410 ( 0.000 -1.633 0.738) 1.793 10.410 ( 0.000 1.633 -0.738) 1.793 10.410 ( 0.000 1.633 0.738) 1.793 ======================= Grid point 137 (46/48) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.328 -2.465 -2.017) 3.202 0.632 ( 0.328 2.360 -1.961) 3.086 0.632 ( 0.328 -2.360 1.961) 3.086 0.632 ( 0.328 2.465 2.017) 3.202 0.768 ( 1.385 -3.704 -3.108) 5.029 0.768 ( 1.385 1.813 -2.241) 3.198 0.768 ( 1.385 -1.813 2.241) 3.198 0.768 ( 1.385 3.704 3.108) 5.029 0.960 ( 2.409 -2.654 -2.491) 4.365 0.960 ( 2.409 0.904 -1.854) 3.172 0.960 ( 2.409 -0.904 1.854) 3.172 0.960 ( 2.409 2.654 2.491) 4.365 1.025 ( -0.591 -0.939 -2.376) 2.623 1.025 ( -0.591 0.919 -2.373) 2.612 1.025 ( -0.591 -0.919 2.373) 2.612 1.025 ( -0.591 0.939 2.376) 2.623 1.101 ( 1.910 -1.293 -1.580) 2.796 1.101 ( 1.910 1.293 -1.580) 2.796 1.101 ( 1.910 -1.293 1.580) 2.796 1.101 ( 1.910 1.293 1.580) 2.796 1.356 ( 0.971 -0.875 -1.846) 2.262 1.356 ( 0.971 0.566 -1.791) 2.115 1.356 ( 0.971 -0.566 1.791) 2.115 1.356 ( 0.971 0.875 1.846) 2.262 1.448 ( -1.348 -2.891 -4.018) 5.130 1.448 ( -1.348 2.590 -3.926) 4.892 1.448 ( -1.348 -2.590 3.926) 4.892 1.448 ( -1.348 2.891 4.018) 5.130 1.903 ( 1.716 -2.350 -1.892) 3.471 1.903 ( 1.716 -0.614 -1.137) 2.148 1.903 ( 1.716 0.614 1.137) 2.148 1.903 ( 1.716 2.350 1.892) 3.471 2.044 ( -2.578 -0.319 -2.590) 3.668 2.044 ( -2.578 0.317 -2.589) 3.668 2.044 ( -2.578 -0.317 2.589) 3.668 2.044 ( -2.578 0.319 2.590) 3.668 2.722 ( 0.463 -0.915 -4.699) 4.809 2.722 ( 0.463 0.025 -4.659) 4.682 2.722 ( 0.463 -0.025 4.659) 4.682 2.722 ( 0.463 0.915 4.699) 4.809 2.970 ( 0.043 -2.589 -6.641) 7.128 2.970 ( 0.043 2.196 -6.578) 6.935 2.970 ( 0.043 -2.196 6.578) 6.935 2.970 ( 0.043 2.589 6.641) 7.128 3.383 ( -1.115 -2.482 -2.226) 3.516 3.383 ( -1.115 -0.175 -1.494) 1.872 3.383 ( -1.115 0.175 1.494) 1.872 3.383 ( -1.115 2.482 2.226) 3.516 3.772 ( -3.071 -7.993 -2.731) 8.988 3.772 ( -3.071 -7.393 1.832) 8.213 3.772 ( -3.071 7.393 -1.832) 8.213 3.772 ( -3.071 7.993 2.731) 8.988 4.072 ( -0.493 -6.852 -7.034) 9.832 4.072 ( -0.493 6.836 -7.027) 9.816 4.072 ( -0.493 -6.836 7.027) 9.816 4.072 ( -0.493 6.852 7.034) 9.832 4.250 ( -1.387 -2.737 -2.845) 4.185 4.250 ( -1.387 0.911 -2.266) 2.808 4.250 ( -1.387 -0.911 2.266) 2.808 4.250 ( -1.387 2.737 2.845) 4.185 4.699 ( -2.301 -1.461 -6.983) 7.496 4.699 ( -2.301 0.812 -6.936) 7.353 4.699 ( -2.301 -0.812 6.936) 7.353 4.699 ( -2.301 1.461 6.983) 7.496 4.856 ( 1.332 -2.503 -4.297) 5.149 4.856 ( 1.332 2.427 -4.278) 5.096 4.856 ( 1.332 -2.427 4.278) 5.096 4.856 ( 1.332 2.503 4.297) 5.149 5.397 ( 1.213 -2.367 -0.496) 2.706 5.397 ( 1.213 -2.367 0.496) 2.706 5.397 ( 1.213 2.367 -0.496) 2.706 5.397 ( 1.213 2.367 0.496) 2.706 5.674 ( -1.321 -6.598 -1.532) 6.901 5.674 ( -1.321 -6.218 0.433) 6.372 5.674 ( -1.321 6.218 -0.433) 6.372 5.674 ( -1.321 6.598 1.532) 6.901 6.067 ( 7.109 -2.374 -8.654) 11.448 6.067 ( 7.109 0.957 -8.531) 11.146 6.067 ( 7.109 -0.957 8.531) 11.146 6.067 ( 7.109 2.374 8.654) 11.448 7.077 ( -4.198 -1.091 -3.887) 5.824 7.077 ( -4.198 1.091 -3.887) 5.824 7.077 ( -4.198 -1.091 3.887) 5.824 7.077 ( -4.198 1.091 3.887) 5.824 7.508 ( 0.277 -3.436 -1.918) 3.945 7.508 ( 0.277 -2.411 1.008) 2.628 7.508 ( 0.277 2.411 -1.008) 2.628 7.508 ( 0.277 3.436 1.918) 3.945 7.872 ( -3.799 -1.028 -3.129) 5.028 7.872 ( -3.799 0.922 -3.114) 4.998 7.872 ( -3.799 -0.922 3.114) 4.998 7.872 ( -3.799 1.028 3.129) 5.028 8.139 ( 4.311 -2.037 -4.999) 6.908 8.139 ( 4.311 1.901 -4.975) 6.852 8.139 ( 4.311 -1.901 4.975) 6.852 8.139 ( 4.311 2.037 4.999) 6.908 8.542 ( -2.396 -1.024 -1.518) 3.015 8.542 ( -2.396 0.947 -1.496) 2.979 8.542 ( -2.396 -0.947 1.496) 2.979 8.542 ( -2.396 1.024 1.518) 3.015 9.260 ( 2.468 -0.145 -9.565) 9.879 9.260 ( 2.468 0.128 -9.565) 9.879 9.260 ( 2.468 -0.128 9.565) 9.879 9.260 ( 2.468 0.145 9.565) 9.879 10.394 ( -1.505 -0.969 -2.142) 2.791 10.394 ( -1.505 0.049 -2.042) 2.537 10.394 ( -1.505 -0.049 2.042) 2.537 10.394 ( -1.505 0.969 2.142) 2.791 ======================= Grid point 141 (47/48) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 1.889 -3.523 -1.769) 4.371 0.653 ( 1.889 -3.005 1.275) 3.771 0.653 ( 1.889 3.005 -1.275) 3.771 0.653 ( 1.889 3.523 1.769) 4.371 0.802 ( 1.464 -3.152 -1.908) 3.965 0.802 ( 1.464 -1.503 -0.477) 2.151 0.802 ( 1.464 1.503 0.477) 2.151 0.802 ( 1.464 3.152 1.908) 3.965 0.969 ( -1.434 -2.361 -2.004) 3.413 0.969 ( -1.434 -1.234 -1.489) 2.407 0.969 ( -1.434 1.234 1.489) 2.407 0.969 ( -1.434 2.361 2.004) 3.413 1.034 ( 2.410 -1.911 -2.048) 3.695 1.034 ( 2.410 0.998 -1.736) 3.134 1.034 ( 2.410 -0.998 1.736) 3.134 1.034 ( 2.410 1.911 2.048) 3.695 1.170 ( 3.652 -1.698 -1.433) 4.275 1.170 ( 3.652 -0.116 -0.883) 3.759 1.170 ( 3.652 0.116 0.883) 3.759 1.170 ( 3.652 1.698 1.433) 4.275 1.369 ( -0.240 -1.442 -1.781) 2.304 1.369 ( -0.240 1.356 -1.751) 2.227 1.369 ( -0.240 -1.356 1.751) 2.227 1.369 ( -0.240 1.442 1.781) 2.304 1.449 ( 2.727 -1.270 -1.775) 3.493 1.449 ( 2.727 1.270 -1.775) 3.493 1.449 ( 2.727 -1.270 1.775) 3.493 1.449 ( 2.727 1.270 1.775) 3.493 1.879 ( -5.430 -1.069 -2.797) 6.201 1.879 ( -5.430 0.430 -2.720) 6.088 1.879 ( -5.430 -0.430 2.720) 6.088 1.879 ( -5.430 1.069 2.797) 6.201 2.031 ( 2.317 -2.785 -1.101) 3.787 2.031 ( 2.317 -2.597 0.873) 3.589 2.031 ( 2.317 2.597 -0.873) 3.589 2.031 ( 2.317 2.785 1.101) 3.787 2.703 ( -2.588 -0.727 -3.854) 4.699 2.703 ( -2.588 0.615 -3.845) 4.676 2.703 ( -2.588 -0.615 3.845) 4.676 2.703 ( -2.588 0.727 3.854) 4.699 2.983 ( 1.234 -1.387 -3.667) 4.110 2.983 ( 1.234 0.756 -3.584) 3.865 2.983 ( 1.234 -0.756 3.584) 3.865 2.983 ( 1.234 1.387 3.667) 4.110 3.374 ( 0.596 -4.087 -1.454) 4.379 3.374 ( 0.596 -3.635 0.751) 3.759 3.374 ( 0.596 3.635 -0.751) 3.759 3.374 ( 0.596 4.087 1.454) 4.379 3.678 ( -6.113 -6.131 -2.743) 9.082 3.678 ( -6.113 -4.654 -0.666) 7.712 3.678 ( -6.113 4.654 0.666) 7.712 3.678 ( -6.113 6.131 2.743) 9.082 4.060 ( -0.619 -4.399 -6.032) 7.491 4.060 ( -0.619 3.585 -5.788) 6.836 4.060 ( -0.619 -3.585 5.788) 6.836 4.060 ( -0.619 4.399 6.032) 7.491 4.232 ( -0.248 -2.257 -2.561) 3.423 4.232 ( -0.248 -0.774 -2.136) 2.285 4.232 ( -0.248 0.774 2.136) 2.285 4.232 ( -0.248 2.257 2.561) 3.423 4.662 ( -1.323 -1.286 -4.884) 5.220 4.662 ( -1.323 0.708 -4.831) 5.058 4.662 ( -1.323 -0.708 4.831) 5.058 4.662 ( -1.323 1.286 4.884) 5.220 4.882 ( 1.245 -2.761 -2.487) 3.919 4.882 ( 1.245 1.506 -1.951) 2.761 4.882 ( 1.245 -1.506 1.951) 2.761 4.882 ( 1.245 2.761 2.487) 3.919 5.420 ( 0.930 -2.101 -0.388) 2.330 5.420 ( 0.930 -2.078 0.330) 2.300 5.420 ( 0.930 2.078 -0.330) 2.300 5.420 ( 0.930 2.101 0.388) 2.330 5.643 ( -1.682 -4.301 -0.413) 4.637 5.643 ( -1.682 -4.283 -0.318) 4.612 5.643 ( -1.682 4.283 0.318) 4.612 5.643 ( -1.682 4.301 0.413) 4.637 6.247 ( 10.715 -3.512 -4.508) 12.144 6.247 ( 10.715 -1.109 -3.923) 11.464 6.247 ( 10.715 1.109 3.923) 11.464 6.247 ( 10.715 3.512 4.508) 12.144 6.945 ( -9.155 -0.905 -2.940) 9.658 6.945 ( -9.155 0.891 -2.938) 9.656 6.945 ( -9.155 -0.891 2.938) 9.656 6.945 ( -9.155 0.905 2.940) 9.658 7.529 ( 1.824 -2.682 -0.995) 3.393 7.529 ( 1.824 -2.244 0.177) 2.897 7.529 ( 1.824 2.244 -0.177) 2.897 7.529 ( 1.824 2.682 0.995) 3.393 7.796 ( -3.699 -0.894 -1.548) 4.108 7.796 ( -3.699 0.447 -1.460) 4.001 7.796 ( -3.699 -0.447 1.460) 4.001 7.796 ( -3.699 0.894 1.548) 4.108 8.229 ( 4.639 -2.283 -2.977) 5.966 8.229 ( 4.639 1.815 -2.830) 5.729 8.229 ( 4.639 -1.815 2.830) 5.729 8.229 ( 4.639 2.283 2.977) 5.966 8.483 ( -3.423 -0.971 -1.039) 3.707 8.483 ( -3.423 0.854 -0.992) 3.665 8.483 ( -3.423 -0.854 0.992) 3.665 8.483 ( -3.423 0.971 1.039) 3.707 9.310 ( 2.250 -0.513 -7.383) 7.735 9.310 ( 2.250 0.473 -7.382) 7.732 9.310 ( 2.250 -0.473 7.382) 7.732 9.310 ( 2.250 0.513 7.383) 7.735 10.361 ( -1.539 -0.725 -2.716) 3.205 10.361 ( -1.539 0.477 -2.691) 3.137 10.361 ( -1.539 -0.477 2.691) 3.137 10.361 ( -1.539 0.725 2.716) 3.205 ======================= Grid point 145 (48/48) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 1.802 -2.453 -0.667) 3.116 0.695 ( 1.802 -2.453 0.667) 3.116 0.695 ( 1.802 2.453 -0.667) 3.116 0.695 ( 1.802 2.453 0.667) 3.116 0.808 ( -0.623 -2.020 -1.151) 2.407 0.808 ( -0.623 -1.104 -0.228) 1.288 0.808 ( -0.623 1.104 0.228) 1.288 0.808 ( -0.623 2.020 1.151) 2.407 0.945 ( -0.517 -1.359 -0.599) 1.573 0.945 ( -0.517 -1.057 -0.185) 1.191 0.945 ( -0.517 1.057 0.185) 1.191 0.945 ( -0.517 1.359 0.599) 1.573 1.105 ( 4.168 -2.224 -1.179) 4.869 1.105 ( 4.168 -2.190 1.150) 4.846 1.105 ( 4.168 2.190 -1.150) 4.846 1.105 ( 4.168 2.224 1.179) 4.869 1.185 ( -2.085 -0.942 -1.082) 2.531 1.185 ( -2.085 0.706 -0.999) 2.417 1.185 ( -2.085 -0.706 0.999) 2.417 1.185 ( -2.085 0.942 1.082) 2.531 1.369 ( 0.409 -1.199 -0.654) 1.426 1.369 ( 0.409 -0.716 0.126) 0.834 1.369 ( 0.409 0.716 -0.126) 0.834 1.369 ( 0.409 1.199 0.654) 1.426 1.557 ( 7.618 -0.280 -1.630) 7.796 1.557 ( 7.618 0.148 -1.623) 7.791 1.557 ( 7.618 -0.148 1.623) 7.791 1.557 ( 7.618 0.280 1.630) 7.796 1.732 ( -8.619 -1.056 -2.685) 9.089 1.732 ( -8.619 0.583 -2.620) 9.027 1.732 ( -8.619 -0.583 2.620) 9.027 1.732 ( -8.619 1.056 2.685) 9.089 2.085 ( 2.062 -1.209 -0.315) 2.411 2.085 ( 2.062 -1.120 0.084) 2.348 2.085 ( 2.062 1.120 -0.084) 2.348 2.085 ( 2.062 1.209 0.315) 2.411 2.645 ( -2.266 -0.650 -1.366) 2.725 2.645 ( -2.266 0.585 -1.353) 2.704 2.645 ( -2.266 -0.585 1.353) 2.704 2.645 ( -2.266 0.650 1.366) 2.725 3.005 ( 0.706 -0.310 -1.110) 1.352 3.005 ( 0.706 0.107 -1.093) 1.306 3.005 ( 0.706 -0.107 1.093) 1.306 3.005 ( 0.706 0.310 1.110) 1.352 3.409 ( 2.420 -3.788 -1.495) 4.737 3.409 ( 2.420 -3.135 0.477) 3.989 3.409 ( 2.420 3.135 -0.477) 3.989 3.409 ( 2.420 3.788 1.495) 4.737 3.561 ( -4.787 -3.731 -2.460) 6.549 3.561 ( -4.787 -2.280 -1.474) 5.503 3.561 ( -4.787 2.280 1.474) 5.503 3.561 ( -4.787 3.731 2.460) 6.549 4.051 ( -0.225 -1.308 -2.023) 2.419 4.051 ( -0.225 0.866 -1.915) 2.114 4.051 ( -0.225 -0.866 1.915) 2.114 4.051 ( -0.225 1.308 2.023) 2.419 4.234 ( 0.201 -0.655 -0.838) 1.082 4.234 ( 0.201 -0.383 -0.759) 0.874 4.234 ( 0.201 0.383 0.759) 0.874 4.234 ( 0.201 0.655 0.838) 1.082 4.646 ( -0.398 -0.637 -1.720) 1.877 4.646 ( -0.398 0.453 -1.694) 1.798 4.646 ( -0.398 -0.453 1.694) 1.798 4.646 ( -0.398 0.637 1.720) 1.877 4.901 ( 0.576 -1.259 -0.900) 1.651 4.901 ( 0.576 0.168 -0.343) 0.691 4.901 ( 0.576 -0.168 0.343) 0.691 4.901 ( 0.576 1.259 0.900) 1.651 5.431 ( 0.206 -1.015 -0.428) 1.121 5.431 ( 0.206 -0.955 0.361) 1.041 5.431 ( 0.206 0.955 -0.361) 1.041 5.431 ( 0.206 1.015 0.428) 1.121 5.617 ( -0.716 -1.466 -0.225) 1.647 5.617 ( -0.716 -1.435 0.103) 1.607 5.617 ( -0.716 1.435 -0.103) 1.607 5.617 ( -0.716 1.466 0.225) 1.647 6.471 ( 11.519 -2.069 -2.097) 11.890 6.471 ( 11.519 -1.618 -1.913) 11.789 6.471 ( 11.519 1.618 1.913) 11.789 6.471 ( 11.519 2.069 2.097) 11.890 6.737 ( -11.270 -0.695 -2.173) 11.498 6.737 ( -11.270 0.214 -2.128) 11.471 6.737 ( -11.270 -0.214 2.128) 11.471 6.737 ( -11.270 0.695 2.173) 11.498 7.567 ( 1.564 -1.116 -0.282) 1.942 7.567 ( 1.564 -1.033 -0.015) 1.874 7.567 ( 1.564 1.033 0.015) 1.874 7.567 ( 1.564 1.116 0.282) 1.942 7.736 ( -1.997 -0.543 -0.624) 2.162 7.736 ( -1.997 0.122 -0.515) 2.066 7.736 ( -1.997 -0.122 0.515) 2.066 7.736 ( -1.997 0.543 0.624) 2.162 8.313 ( 3.665 -1.590 -1.367) 4.222 8.313 ( 3.665 0.728 -0.990) 3.865 8.313 ( 3.665 -0.728 0.990) 3.865 8.313 ( 3.665 1.590 1.367) 4.222 8.414 ( -3.243 -0.972 -0.716) 3.461 8.414 ( -3.243 0.950 -0.703) 3.452 8.414 ( -3.243 -0.950 0.703) 3.452 8.414 ( -3.243 0.972 0.716) 3.461 9.340 ( 0.754 -0.271 -2.824) 2.935 9.340 ( 0.754 0.250 -2.823) 2.932 9.340 ( 0.754 -0.250 2.823) 2.932 9.340 ( 0.754 0.271 2.824) 2.935 10.340 ( -0.566 -0.305 -1.215) 1.375 10.340 ( -0.566 0.255 -1.210) 1.360 10.340 ( -0.566 -0.255 1.210) 1.360 10.340 ( -0.566 0.305 1.215) 1.375 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/18144 10.0 18.276 18.209 12.304 0.000 0.000 -0.000 3/18144 20.0 7.582 5.744 4.015 0.000 0.000 -0.000 3/18144 30.0 4.851 3.271 2.375 0.000 0.000 -0.000 3/18144 40.0 3.523 2.234 1.683 0.000 0.000 -0.000 3/18144 50.0 2.732 1.671 1.298 0.000 0.000 -0.000 3/18144 60.0 2.216 1.325 1.055 0.000 0.000 -0.000 3/18144 70.0 1.858 1.094 0.889 0.000 0.000 -0.000 3/18144 80.0 1.599 0.931 0.770 0.000 0.000 -0.000 3/18144 90.0 1.403 0.809 0.680 0.000 0.000 -0.000 3/18144 100.0 1.251 0.716 0.610 0.000 0.000 -0.000 3/18144 110.0 1.130 0.643 0.553 0.000 0.000 -0.000 3/18144 120.0 1.030 0.583 0.507 0.000 0.000 -0.000 3/18144 130.0 0.947 0.534 0.468 0.000 0.000 -0.000 3/18144 140.0 0.877 0.492 0.435 0.000 0.000 -0.000 3/18144 150.0 0.817 0.457 0.407 0.000 0.000 -0.000 3/18144 160.0 0.764 0.426 0.382 0.000 0.000 -0.000 3/18144 170.0 0.719 0.399 0.360 0.000 0.000 -0.000 3/18144 180.0 0.678 0.376 0.340 0.000 0.000 -0.000 3/18144 190.0 0.642 0.355 0.323 0.000 0.000 -0.000 3/18144 200.0 0.610 0.337 0.307 0.000 0.000 -0.000 3/18144 210.0 0.580 0.320 0.293 0.000 0.000 -0.000 3/18144 220.0 0.554 0.305 0.280 0.000 0.000 -0.000 3/18144 230.0 0.530 0.291 0.268 0.000 0.000 -0.000 3/18144 240.0 0.507 0.279 0.257 0.000 0.000 -0.000 3/18144 250.0 0.487 0.267 0.247 0.000 0.000 -0.000 3/18144 260.0 0.468 0.257 0.238 0.000 0.000 -0.000 3/18144 270.0 0.451 0.247 0.229 0.000 0.000 -0.000 3/18144 280.0 0.435 0.238 0.221 0.000 0.000 -0.000 3/18144 290.0 0.420 0.229 0.214 0.000 0.000 -0.000 3/18144 300.0 0.406 0.222 0.207 0.000 0.000 -0.000 3/18144 310.0 0.393 0.214 0.201 0.000 0.000 -0.000 3/18144 320.0 0.381 0.207 0.194 0.000 0.000 -0.000 3/18144 330.0 0.369 0.201 0.189 0.000 0.000 -0.000 3/18144 340.0 0.358 0.195 0.183 0.000 0.000 -0.000 3/18144 350.0 0.348 0.189 0.178 0.000 0.000 -0.000 3/18144 360.0 0.338 0.184 0.173 0.000 0.000 -0.000 3/18144 370.0 0.329 0.179 0.169 0.000 0.000 -0.000 3/18144 380.0 0.321 0.174 0.164 0.000 0.000 -0.000 3/18144 390.0 0.312 0.170 0.160 0.000 0.000 -0.000 3/18144 400.0 0.305 0.165 0.156 0.000 0.000 -0.000 3/18144 410.0 0.297 0.161 0.152 0.000 0.000 -0.000 3/18144 420.0 0.290 0.158 0.149 0.000 0.000 -0.000 3/18144 430.0 0.283 0.154 0.145 0.000 0.000 -0.000 3/18144 440.0 0.277 0.150 0.142 0.000 0.000 -0.000 3/18144 450.0 0.271 0.147 0.139 0.000 0.000 -0.000 3/18144 460.0 0.265 0.144 0.136 0.000 0.000 -0.000 3/18144 470.0 0.259 0.141 0.133 0.000 0.000 -0.000 3/18144 480.0 0.254 0.138 0.131 0.000 0.000 -0.000 3/18144 490.0 0.249 0.135 0.128 0.000 0.000 -0.000 3/18144 500.0 0.244 0.132 0.125 0.000 0.000 -0.000 3/18144 510.0 0.239 0.130 0.123 0.000 0.000 -0.000 3/18144 520.0 0.235 0.127 0.121 0.000 0.000 -0.000 3/18144 530.0 0.230 0.125 0.118 0.000 0.000 -0.000 3/18144 540.0 0.226 0.122 0.116 0.000 0.000 -0.000 3/18144 550.0 0.222 0.120 0.114 0.000 0.000 -0.000 3/18144 560.0 0.218 0.118 0.112 0.000 0.000 -0.000 3/18144 570.0 0.214 0.116 0.110 0.000 0.000 -0.000 3/18144 580.0 0.210 0.114 0.108 0.000 0.000 -0.000 3/18144 590.0 0.207 0.112 0.106 0.000 0.000 -0.000 3/18144 600.0 0.203 0.110 0.105 0.000 0.000 -0.000 3/18144 610.0 0.200 0.108 0.103 0.000 0.000 -0.000 3/18144 620.0 0.197 0.106 0.101 0.000 0.000 -0.000 3/18144 630.0 0.194 0.105 0.100 0.000 0.000 -0.000 3/18144 640.0 0.191 0.103 0.098 0.000 0.000 -0.000 3/18144 650.0 0.188 0.102 0.097 0.000 0.000 -0.000 3/18144 660.0 0.185 0.100 0.095 0.000 0.000 -0.000 3/18144 670.0 0.182 0.098 0.094 0.000 0.000 -0.000 3/18144 680.0 0.179 0.097 0.092 0.000 0.000 -0.000 3/18144 690.0 0.177 0.096 0.091 0.000 0.000 -0.000 3/18144 700.0 0.174 0.094 0.090 0.000 0.000 -0.000 3/18144 710.0 0.172 0.093 0.089 0.000 0.000 -0.000 3/18144 720.0 0.170 0.092 0.087 0.000 0.000 -0.000 3/18144 730.0 0.167 0.090 0.086 0.000 0.000 -0.000 3/18144 740.0 0.165 0.089 0.085 0.000 0.000 -0.000 3/18144 750.0 0.163 0.088 0.084 0.000 0.000 -0.000 3/18144 760.0 0.161 0.087 0.083 0.000 0.000 -0.000 3/18144 770.0 0.159 0.086 0.082 0.000 0.000 -0.000 3/18144 780.0 0.157 0.085 0.081 0.000 0.000 -0.000 3/18144 790.0 0.155 0.083 0.080 0.000 0.000 -0.000 3/18144 800.0 0.153 0.082 0.079 0.000 0.000 -0.000 3/18144 810.0 0.151 0.081 0.078 0.000 0.000 -0.000 3/18144 820.0 0.149 0.080 0.077 0.000 0.000 -0.000 3/18144 830.0 0.147 0.079 0.076 0.000 0.000 -0.000 3/18144 840.0 0.145 0.079 0.075 0.000 0.000 -0.000 3/18144 850.0 0.144 0.078 0.074 0.000 0.000 -0.000 3/18144 860.0 0.142 0.077 0.073 0.000 0.000 -0.000 3/18144 870.0 0.140 0.076 0.072 0.000 0.000 -0.000 3/18144 880.0 0.139 0.075 0.072 0.000 0.000 -0.000 3/18144 890.0 0.137 0.074 0.071 0.000 0.000 -0.000 3/18144 900.0 0.136 0.073 0.070 0.000 0.000 -0.000 3/18144 910.0 0.134 0.072 0.069 0.000 0.000 -0.000 3/18144 920.0 0.133 0.072 0.068 0.000 0.000 -0.000 3/18144 930.0 0.131 0.071 0.068 0.000 0.000 -0.000 3/18144 940.0 0.130 0.070 0.067 0.000 0.000 -0.000 3/18144 950.0 0.129 0.069 0.066 0.000 0.000 -0.000 3/18144 960.0 0.127 0.069 0.066 0.000 0.000 -0.000 3/18144 970.0 0.126 0.068 0.065 0.000 0.000 -0.000 3/18144 980.0 0.125 0.067 0.064 0.000 0.000 -0.000 3/18144 990.0 0.123 0.067 0.064 0.000 0.000 -0.000 3/18144 1000.0 0.122 0.066 0.063 0.000 0.000 -0.000 3/18144 Thermal conductivity related properties were written into "kappa-m746.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:52:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|