----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:10:19]------------------------- Compiled with OpenMP support (max 32 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.124781790024777 0.000000000000000 0.000000000000000 b 0.000000000000000 6.885924739999999 0.000000000000000 c -6.946559292971581 0.000000000000000 12.625557950022392 Atomic positions (fractional): *1 Na 0.93476845940481 0.46459621646342 0.21011230408407 22.990 2 Na 0.06523154059519 0.96459621646342 0.28988769591593 22.990 3 Na 0.06523154059519 0.53540378353658 0.78988769591593 22.990 4 Na 0.93476845940481 0.03540378353658 0.71011230408407 22.990 *5 Na 0.72870600577694 0.50355767610905 0.38965214544808 22.990 6 Na 0.27129399422306 0.00355767610905 0.11034785455192 22.990 7 Na 0.27129399422306 0.49644232389095 0.61034785455192 22.990 8 Na 0.72870600577694 0.99644232389095 0.88965214544808 22.990 *9 Na 0.31030253075014 0.50335137677343 0.10160907544235 22.990 10 Na 0.68969746924986 0.00335137677343 0.39839092455765 22.990 11 Na 0.68969746924986 0.49664862322657 0.89839092455765 22.990 12 Na 0.31030253075014 0.99664862322657 0.60160907544235 22.990 *13 S 0.04955656865146 0.25724190122025 0.92742103008391 32.065 14 S 0.04955656865146 0.24275809877974 0.42742103008391 32.065 15 S 0.95044343134855 0.75724190122026 0.57257896991609 32.065 16 S 0.95044343134855 0.74275809877974 0.07257896991609 32.065 *17 S 0.35185211582615 0.69655058352185 0.42973632267691 32.065 18 S 0.64814788417385 0.19655058352186 0.07026367732309 32.065 19 S 0.64814788417385 0.30344941647814 0.57026367732309 32.065 20 S 0.35185211582615 0.80344941647815 0.92973632267691 32.065 *21 S 0.34375916850236 0.25806944307751 0.27242526809176 32.065 22 S 0.65624083149764 0.75806944307751 0.22757473190824 32.065 23 S 0.65624083149764 0.74193055692249 0.72757473190824 32.065 24 S 0.34375916850236 0.24193055692249 0.77242526809176 32.065 *25 Ga 0.66764717085441 0.64236674098169 0.58259288658658 69.723 26 Ga 0.33235282914559 0.35763325901831 0.41740711341342 69.723 27 Ga 0.66764717085441 0.85763325901831 0.08259288658658 69.723 28 Ga 0.33235282914559 0.14236674098169 0.91740711341342 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.124781790024777 0.000000000000000 0.000000000000000 b 0.000000000000000 6.885924739999999 0.000000000000000 c -6.946559292971581 0.000000000000000 12.625557950022392 Atomic positions (fractional): *1 Na 0.93476845940481 0.46459621646342 0.21011230408407 22.990 > 1 2 Na 0.06523154059519 0.96459621646342 0.28988769591593 22.990 > 2 3 Na 0.06523154059519 0.53540378353658 0.78988769591593 22.990 > 3 4 Na 0.93476845940481 0.03540378353658 0.71011230408407 22.990 > 4 *5 Na 0.72870600577694 0.50355767610905 0.38965214544808 22.990 > 5 6 Na 0.27129399422306 0.00355767610905 0.11034785455192 22.990 > 6 7 Na 0.27129399422306 0.49644232389095 0.61034785455192 22.990 > 7 8 Na 0.72870600577694 0.99644232389095 0.88965214544808 22.990 > 8 *9 Na 0.31030253075014 0.50335137677343 0.10160907544235 22.990 > 9 10 Na 0.68969746924986 0.00335137677343 0.39839092455765 22.990 > 10 11 Na 0.68969746924986 0.49664862322657 0.89839092455765 22.990 > 11 12 Na 0.31030253075014 0.99664862322657 0.60160907544235 22.990 > 12 *13 S 0.04955656865146 0.25724190122025 0.92742103008391 32.065 > 13 14 S 0.04955656865146 0.24275809877974 0.42742103008391 32.065 > 14 15 S 0.95044343134855 0.75724190122026 0.57257896991609 32.065 > 15 16 S 0.95044343134855 0.74275809877974 0.07257896991609 32.065 > 16 *17 S 0.35185211582615 0.69655058352185 0.42973632267691 32.065 > 17 18 S 0.64814788417385 0.19655058352186 0.07026367732309 32.065 > 18 19 S 0.64814788417385 0.30344941647814 0.57026367732309 32.065 > 19 20 S 0.35185211582615 0.80344941647815 0.92973632267691 32.065 > 20 *21 S 0.34375916850236 0.25806944307751 0.27242526809176 32.065 > 21 22 S 0.65624083149764 0.75806944307751 0.22757473190824 32.065 > 22 23 S 0.65624083149764 0.74193055692249 0.72757473190824 32.065 > 23 24 S 0.34375916850236 0.24193055692249 0.77242526809176 32.065 > 24 *25 Ga 0.66764717085441 0.64236674098169 0.58259288658658 69.723 > 25 26 Ga 0.33235282914559 0.35763325901831 0.41740711341342 69.723 > 26 27 Ga 0.66764717085441 0.85763325901831 0.08259288658658 69.723 > 27 28 Ga 0.33235282914559 0.14236674098169 0.91740711341342 69.723 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.249563580049553 0.000000000000000 0.000000000000000 b 0.000000000000000 13.771849479999998 0.000000000000000 c -6.946559292971581 0.000000000000000 12.625557950022392 Atomic positions (fractional): *1 Na 0.46738422970241 0.23229810823171 0.21011230408407 22.990 > 1 2 Na 0.96738422970241 0.23229810823171 0.21011230408407 22.990 > 1 3 Na 0.46738422970241 0.73229810823171 0.21011230408407 22.990 > 1 4 Na 0.96738422970241 0.73229810823171 0.21011230408407 22.990 > 1 5 Na 0.03261577029759 0.48229810823171 0.28988769591593 22.990 > 2 6 Na 0.53261577029759 0.48229810823171 0.28988769591593 22.990 > 2 7 Na 0.03261577029759 0.98229810823171 0.28988769591593 22.990 > 2 8 Na 0.53261577029759 0.98229810823171 0.28988769591593 22.990 > 2 9 Na 0.03261577029759 0.26770189176829 0.78988769591593 22.990 > 3 10 Na 0.53261577029759 0.26770189176829 0.78988769591593 22.990 > 3 11 Na 0.03261577029759 0.76770189176829 0.78988769591593 22.990 > 3 12 Na 0.53261577029759 0.76770189176829 0.78988769591593 22.990 > 3 13 Na 0.46738422970241 0.01770189176829 0.71011230408407 22.990 > 4 14 Na 0.96738422970241 0.01770189176829 0.71011230408407 22.990 > 4 15 Na 0.46738422970241 0.51770189176829 0.71011230408407 22.990 > 4 16 Na 0.96738422970241 0.51770189176829 0.71011230408407 22.990 > 4 *17 Na 0.36435300288847 0.25177883805453 0.38965214544808 22.990 > 5 18 Na 0.86435300288847 0.25177883805453 0.38965214544808 22.990 > 5 19 Na 0.36435300288847 0.75177883805453 0.38965214544808 22.990 > 5 20 Na 0.86435300288847 0.75177883805453 0.38965214544808 22.990 > 5 21 Na 0.13564699711153 0.00177883805453 0.11034785455192 22.990 > 6 22 Na 0.63564699711153 0.00177883805453 0.11034785455192 22.990 > 6 23 Na 0.13564699711153 0.50177883805453 0.11034785455192 22.990 > 6 24 Na 0.63564699711153 0.50177883805453 0.11034785455192 22.990 > 6 25 Na 0.13564699711153 0.24822116194547 0.61034785455192 22.990 > 7 26 Na 0.63564699711153 0.24822116194547 0.61034785455192 22.990 > 7 27 Na 0.13564699711153 0.74822116194547 0.61034785455192 22.990 > 7 28 Na 0.63564699711153 0.74822116194547 0.61034785455192 22.990 > 7 29 Na 0.36435300288847 0.49822116194547 0.88965214544808 22.990 > 8 30 Na 0.86435300288847 0.49822116194547 0.88965214544808 22.990 > 8 31 Na 0.36435300288847 0.99822116194547 0.88965214544808 22.990 > 8 32 Na 0.86435300288847 0.99822116194547 0.88965214544808 22.990 > 8 *33 Na 0.15515126537507 0.25167568838672 0.10160907544235 22.990 > 9 34 Na 0.65515126537507 0.25167568838672 0.10160907544235 22.990 > 9 35 Na 0.15515126537507 0.75167568838672 0.10160907544235 22.990 > 9 36 Na 0.65515126537507 0.75167568838672 0.10160907544235 22.990 > 9 37 Na 0.34484873462493 0.00167568838671 0.39839092455765 22.990 > 10 38 Na 0.84484873462493 0.00167568838671 0.39839092455765 22.990 > 10 39 Na 0.34484873462493 0.50167568838671 0.39839092455765 22.990 > 10 40 Na 0.84484873462493 0.50167568838671 0.39839092455765 22.990 > 10 41 Na 0.34484873462493 0.24832431161328 0.89839092455765 22.990 > 11 42 Na 0.84484873462493 0.24832431161328 0.89839092455765 22.990 > 11 43 Na 0.34484873462493 0.74832431161328 0.89839092455765 22.990 > 11 44 Na 0.84484873462493 0.74832431161328 0.89839092455765 22.990 > 11 45 Na 0.15515126537507 0.49832431161328 0.60160907544235 22.990 > 12 46 Na 0.65515126537507 0.49832431161328 0.60160907544235 22.990 > 12 47 Na 0.15515126537507 0.99832431161328 0.60160907544235 22.990 > 12 48 Na 0.65515126537507 0.99832431161328 0.60160907544235 22.990 > 12 *49 S 0.02477828432573 0.12862095061013 0.92742103008391 32.065 > 13 50 S 0.52477828432573 0.12862095061013 0.92742103008391 32.065 > 13 51 S 0.02477828432573 0.62862095061013 0.92742103008391 32.065 > 13 52 S 0.52477828432573 0.62862095061013 0.92742103008391 32.065 > 13 53 S 0.02477828432573 0.12137904938987 0.42742103008391 32.065 > 14 54 S 0.52477828432573 0.12137904938987 0.42742103008391 32.065 > 14 55 S 0.02477828432573 0.62137904938987 0.42742103008391 32.065 > 14 56 S 0.52477828432573 0.62137904938987 0.42742103008391 32.065 > 14 57 S 0.47522171567427 0.37862095061013 0.57257896991609 32.065 > 15 58 S 0.97522171567427 0.37862095061013 0.57257896991609 32.065 > 15 59 S 0.47522171567427 0.87862095061013 0.57257896991609 32.065 > 15 60 S 0.97522171567427 0.87862095061013 0.57257896991609 32.065 > 15 61 S 0.47522171567427 0.37137904938987 0.07257896991609 32.065 > 16 62 S 0.97522171567427 0.37137904938987 0.07257896991609 32.065 > 16 63 S 0.47522171567427 0.87137904938987 0.07257896991609 32.065 > 16 64 S 0.97522171567427 0.87137904938987 0.07257896991609 32.065 > 16 *65 S 0.17592605791307 0.34827529176093 0.42973632267691 32.065 > 17 66 S 0.67592605791307 0.34827529176093 0.42973632267691 32.065 > 17 67 S 0.17592605791307 0.84827529176093 0.42973632267691 32.065 > 17 68 S 0.67592605791307 0.84827529176093 0.42973632267691 32.065 > 17 69 S 0.32407394208693 0.09827529176093 0.07026367732309 32.065 > 18 70 S 0.82407394208693 0.09827529176093 0.07026367732309 32.065 > 18 71 S 0.32407394208693 0.59827529176093 0.07026367732309 32.065 > 18 72 S 0.82407394208693 0.59827529176093 0.07026367732309 32.065 > 18 73 S 0.32407394208693 0.15172470823907 0.57026367732309 32.065 > 19 74 S 0.82407394208693 0.15172470823907 0.57026367732309 32.065 > 19 75 S 0.32407394208693 0.65172470823907 0.57026367732309 32.065 > 19 76 S 0.82407394208693 0.65172470823907 0.57026367732309 32.065 > 19 77 S 0.17592605791307 0.40172470823907 0.92973632267691 32.065 > 20 78 S 0.67592605791307 0.40172470823907 0.92973632267691 32.065 > 20 79 S 0.17592605791307 0.90172470823907 0.92973632267691 32.065 > 20 80 S 0.67592605791307 0.90172470823907 0.92973632267691 32.065 > 20 *81 S 0.17187958425118 0.12903472153875 0.27242526809176 32.065 > 21 82 S 0.67187958425118 0.12903472153875 0.27242526809176 32.065 > 21 83 S 0.17187958425118 0.62903472153875 0.27242526809176 32.065 > 21 84 S 0.67187958425118 0.62903472153875 0.27242526809176 32.065 > 21 85 S 0.32812041574882 0.37903472153875 0.22757473190824 32.065 > 22 86 S 0.82812041574882 0.37903472153875 0.22757473190824 32.065 > 22 87 S 0.32812041574882 0.87903472153875 0.22757473190824 32.065 > 22 88 S 0.82812041574882 0.87903472153875 0.22757473190824 32.065 > 22 89 S 0.32812041574882 0.37096527846125 0.72757473190824 32.065 > 23 90 S 0.82812041574882 0.37096527846125 0.72757473190824 32.065 > 23 91 S 0.32812041574882 0.87096527846125 0.72757473190824 32.065 > 23 92 S 0.82812041574882 0.87096527846125 0.72757473190824 32.065 > 23 93 S 0.17187958425118 0.12096527846125 0.77242526809176 32.065 > 24 94 S 0.67187958425118 0.12096527846125 0.77242526809176 32.065 > 24 95 S 0.17187958425118 0.62096527846125 0.77242526809176 32.065 > 24 96 S 0.67187958425118 0.62096527846125 0.77242526809176 32.065 > 24 *97 Ga 0.33382358542721 0.32118337049085 0.58259288658658 69.723 > 25 98 Ga 0.83382358542721 0.32118337049085 0.58259288658658 69.723 > 25 99 Ga 0.33382358542721 0.82118337049085 0.58259288658658 69.723 > 25 100 Ga 0.83382358542721 0.82118337049085 0.58259288658658 69.723 > 25 101 Ga 0.16617641457279 0.17881662950915 0.41740711341342 69.723 > 26 102 Ga 0.66617641457279 0.17881662950915 0.41740711341342 69.723 > 26 103 Ga 0.16617641457279 0.67881662950915 0.41740711341342 69.723 > 26 104 Ga 0.66617641457279 0.67881662950915 0.41740711341342 69.723 > 26 105 Ga 0.33382358542721 0.42881662950915 0.08259288658658 69.723 > 27 106 Ga 0.83382358542721 0.42881662950915 0.08259288658658 69.723 > 27 107 Ga 0.33382358542721 0.92881662950915 0.08259288658658 69.723 > 27 108 Ga 0.83382358542721 0.92881662950915 0.08259288658658 69.723 > 27 109 Ga 0.16617641457279 0.07118337049085 0.91740711341342 69.723 > 28 110 Ga 0.66617641457279 0.07118337049085 0.91740711341342 69.723 > 28 111 Ga 0.16617641457279 0.57118337049085 0.91740711341342 69.723 > 28 112 Ga 0.66617641457279 0.57118337049085 0.91740711341342 69.723 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0914918 0.0000000 -0.0170431 0.0000000 3.9698116 0.0000000 -0.0170473 0.0000000 4.0858352 -------------------------- Born effective charges -------------------------- 1 Na 0.9491674 -0.0531806 0.2240791 -0.0245199 1.1835043 -0.0201623 0.2286376 -0.0787157 1.2186017 2 Na 0.9491674 0.0531806 0.2240791 0.0245199 1.1835043 0.0201623 0.2286376 0.0787157 1.2186017 3 Na 0.9491674 -0.0531806 0.2240791 -0.0245199 1.1835043 -0.0201623 0.2286376 -0.0787157 1.2186017 4 Na 0.9491674 0.0531806 0.2240791 0.0245199 1.1835043 0.0201623 0.2286376 0.0787157 1.2186017 5 Na 1.2426761 -0.0225666 -0.1167230 0.0510707 0.9330588 -0.0662701 -0.1062500 -0.0969275 1.1272468 6 Na 1.2426761 0.0225666 -0.1167230 -0.0510707 0.9330588 0.0662701 -0.1062500 0.0969275 1.1272468 7 Na 1.2426761 -0.0225666 -0.1167230 0.0510707 0.9330588 -0.0662701 -0.1062500 -0.0969275 1.1272468 8 Na 1.2426761 0.0225666 -0.1167230 -0.0510707 0.9330588 0.0662701 -0.1062500 0.0969275 1.1272468 9 Na 1.2175945 -0.0398067 -0.0893663 -0.0440466 1.2957332 0.0624205 -0.0961190 -0.0664299 1.0932112 10 Na 1.2175945 0.0398067 -0.0893663 0.0440466 1.2957332 -0.0624205 -0.0961190 0.0664299 1.0932112 11 Na 1.2175945 -0.0398067 -0.0893663 -0.0440466 1.2957332 0.0624205 -0.0961190 -0.0664299 1.0932112 12 Na 1.2175945 0.0398067 -0.0893663 0.0440466 1.2957332 -0.0624205 -0.0961190 0.0664299 1.0932112 13 S -2.4360146 0.4103252 0.0669474 0.4168160 -1.5915801 -0.0005122 -0.0427502 0.0611525 -1.5357144 14 S -2.4360146 -0.4103252 0.0669474 -0.4168160 -1.5915801 0.0005122 -0.0427502 -0.0611525 -1.5357144 15 S -2.4360146 -0.4103252 0.0669474 -0.4168160 -1.5915801 0.0005122 -0.0427502 -0.0611525 -1.5357144 16 S -2.4360146 0.4103252 0.0669474 0.4168160 -1.5915801 -0.0005122 -0.0427502 0.0611525 -1.5357144 17 S -1.4639811 -0.0508665 -0.4204665 -0.0649216 -2.1769360 -0.0384899 -0.4125086 -0.0975630 -1.9068468 18 S -1.4639811 0.0508665 -0.4204665 0.0649216 -2.1769360 0.0384899 -0.4125086 0.0975630 -1.9068468 19 S -1.4639811 -0.0508665 -0.4204665 -0.0649216 -2.1769360 -0.0384899 -0.4125086 -0.0975630 -1.9068468 20 S -1.4639811 0.0508665 -0.4204665 0.0649216 -2.1769360 0.0384899 -0.4125086 0.0975630 -1.9068468 21 S -1.7590531 0.1024627 0.3344401 0.0642254 -1.5874812 -0.4079531 0.4457977 -0.3699467 -2.2912523 22 S -1.7590531 -0.1024627 0.3344401 -0.0642254 -1.5874812 0.4079531 0.4457977 0.3699467 -2.2912523 23 S -1.7590531 0.1024627 0.3344401 0.0642254 -1.5874812 -0.4079531 0.4457977 -0.3699467 -2.2912523 24 S -1.7590531 -0.1024627 0.3344401 -0.0642254 -1.5874812 0.4079531 0.4457977 0.3699467 -2.2912523 25 Ga 2.2496108 0.3747763 0.0010892 0.3781690 1.9437010 0.5462790 -0.0168076 0.5769175 2.2947538 26 Ga 2.2496108 0.3747763 0.0010892 0.3781690 1.9437010 0.5462790 -0.0168076 0.5769175 2.2947538 27 Ga 2.2496108 -0.3747763 0.0010892 -0.3781690 1.9437010 -0.5462790 -0.0168076 -0.5769175 2.2947538 28 Ga 2.2496108 -0.3747763 0.0010892 -0.3781690 1.9437010 -0.5462790 -0.0168076 -0.5769175 2.2947538 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 880 - Time: 0.924 Solver_block: 200 / 880 - Time: 0.838 Solver_block: 300 / 880 - Time: 0.837 Solver_block: 400 / 880 - Time: 0.840 Solver_block: 500 / 880 - Time: 0.837 Solver_block: 600 / 880 - Time: 0.839 Solver_block: 700 / 880 - Time: 0.840 Solver_block: 800 / 880 - Time: 0.840 Solver_block: 880 / 880 - Time: 0.733 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.712 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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 04:11:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:11:09]------------------------- Compiled with OpenMP support (max 32 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.124781790024777 0.000000000000000 0.000000000000000 b 0.000000000000000 6.885924739999999 0.000000000000000 c -6.946559292971581 0.000000000000000 12.625557950022392 Atomic positions (fractional): 1 Na 0.93476845940481 0.46459621646342 0.21011230408407 22.990 2 Na 0.06523154059519 0.96459621646342 0.28988769591593 22.990 3 Na 0.06523154059519 0.53540378353658 0.78988769591593 22.990 4 Na 0.93476845940481 0.03540378353658 0.71011230408407 22.990 5 Na 0.72870600577694 0.50355767610905 0.38965214544808 22.990 6 Na 0.27129399422306 0.00355767610905 0.11034785455192 22.990 7 Na 0.27129399422306 0.49644232389095 0.61034785455192 22.990 8 Na 0.72870600577694 0.99644232389095 0.88965214544808 22.990 9 Na 0.31030253075014 0.50335137677343 0.10160907544235 22.990 10 Na 0.68969746924986 0.00335137677343 0.39839092455765 22.990 11 Na 0.68969746924986 0.49664862322657 0.89839092455765 22.990 12 Na 0.31030253075014 0.99664862322657 0.60160907544235 22.990 13 S 0.04955656865146 0.25724190122025 0.92742103008391 32.065 14 S 0.04955656865146 0.24275809877974 0.42742103008391 32.065 15 S 0.95044343134855 0.75724190122026 0.57257896991609 32.065 16 S 0.95044343134855 0.74275809877974 0.07257896991609 32.065 17 S 0.35185211582615 0.69655058352185 0.42973632267691 32.065 18 S 0.64814788417385 0.19655058352186 0.07026367732309 32.065 19 S 0.64814788417385 0.30344941647814 0.57026367732309 32.065 20 S 0.35185211582615 0.80344941647815 0.92973632267691 32.065 21 S 0.34375916850236 0.25806944307751 0.27242526809176 32.065 22 S 0.65624083149764 0.75806944307751 0.22757473190824 32.065 23 S 0.65624083149764 0.74193055692249 0.72757473190824 32.065 24 S 0.34375916850236 0.24193055692249 0.77242526809176 32.065 25 Ga 0.66764717085441 0.64236674098169 0.58259288658658 69.723 26 Ga 0.33235282914559 0.35763325901831 0.41740711341342 69.723 27 Ga 0.66764717085441 0.85763325901831 0.08259288658658 69.723 28 Ga 0.33235282914559 0.14236674098169 0.91740711341342 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.249563580049553 0.000000000000000 0.000000000000000 b 0.000000000000000 13.771849479999998 0.000000000000000 c -6.946559292971581 0.000000000000000 12.625557950022392 Atomic positions (fractional): 1 Na 0.46738422970241 0.23229810823171 0.21011230408407 22.990 > 1 2 Na 0.96738422970241 0.23229810823171 0.21011230408407 22.990 > 1 3 Na 0.46738422970241 0.73229810823171 0.21011230408407 22.990 > 1 4 Na 0.96738422970241 0.73229810823171 0.21011230408407 22.990 > 1 5 Na 0.03261577029759 0.48229810823171 0.28988769591593 22.990 > 5 6 Na 0.53261577029759 0.48229810823171 0.28988769591593 22.990 > 5 7 Na 0.03261577029759 0.98229810823171 0.28988769591593 22.990 > 5 8 Na 0.53261577029759 0.98229810823171 0.28988769591593 22.990 > 5 9 Na 0.03261577029759 0.26770189176829 0.78988769591593 22.990 > 9 10 Na 0.53261577029759 0.26770189176829 0.78988769591593 22.990 > 9 11 Na 0.03261577029759 0.76770189176829 0.78988769591593 22.990 > 9 12 Na 0.53261577029759 0.76770189176829 0.78988769591593 22.990 > 9 13 Na 0.46738422970241 0.01770189176829 0.71011230408407 22.990 > 13 14 Na 0.96738422970241 0.01770189176829 0.71011230408407 22.990 > 13 15 Na 0.46738422970241 0.51770189176829 0.71011230408407 22.990 > 13 16 Na 0.96738422970241 0.51770189176829 0.71011230408407 22.990 > 13 17 Na 0.36435300288847 0.25177883805453 0.38965214544808 22.990 > 17 18 Na 0.86435300288847 0.25177883805453 0.38965214544808 22.990 > 17 19 Na 0.36435300288847 0.75177883805453 0.38965214544808 22.990 > 17 20 Na 0.86435300288847 0.75177883805453 0.38965214544808 22.990 > 17 21 Na 0.13564699711153 0.00177883805453 0.11034785455192 22.990 > 21 22 Na 0.63564699711153 0.00177883805453 0.11034785455192 22.990 > 21 23 Na 0.13564699711153 0.50177883805453 0.11034785455192 22.990 > 21 24 Na 0.63564699711153 0.50177883805453 0.11034785455192 22.990 > 21 25 Na 0.13564699711153 0.24822116194547 0.61034785455192 22.990 > 25 26 Na 0.63564699711153 0.24822116194547 0.61034785455192 22.990 > 25 27 Na 0.13564699711153 0.74822116194547 0.61034785455192 22.990 > 25 28 Na 0.63564699711153 0.74822116194547 0.61034785455192 22.990 > 25 29 Na 0.36435300288847 0.49822116194547 0.88965214544808 22.990 > 29 30 Na 0.86435300288847 0.49822116194547 0.88965214544808 22.990 > 29 31 Na 0.36435300288847 0.99822116194547 0.88965214544808 22.990 > 29 32 Na 0.86435300288847 0.99822116194547 0.88965214544808 22.990 > 29 33 Na 0.15515126537507 0.25167568838672 0.10160907544235 22.990 > 33 34 Na 0.65515126537507 0.25167568838672 0.10160907544235 22.990 > 33 35 Na 0.15515126537507 0.75167568838672 0.10160907544235 22.990 > 33 36 Na 0.65515126537507 0.75167568838672 0.10160907544235 22.990 > 33 37 Na 0.34484873462493 0.00167568838671 0.39839092455765 22.990 > 37 38 Na 0.84484873462493 0.00167568838671 0.39839092455765 22.990 > 37 39 Na 0.34484873462493 0.50167568838671 0.39839092455765 22.990 > 37 40 Na 0.84484873462493 0.50167568838671 0.39839092455765 22.990 > 37 41 Na 0.34484873462493 0.24832431161328 0.89839092455765 22.990 > 41 42 Na 0.84484873462493 0.24832431161328 0.89839092455765 22.990 > 41 43 Na 0.34484873462493 0.74832431161328 0.89839092455765 22.990 > 41 44 Na 0.84484873462493 0.74832431161328 0.89839092455765 22.990 > 41 45 Na 0.15515126537507 0.49832431161328 0.60160907544235 22.990 > 45 46 Na 0.65515126537507 0.49832431161328 0.60160907544235 22.990 > 45 47 Na 0.15515126537507 0.99832431161328 0.60160907544235 22.990 > 45 48 Na 0.65515126537507 0.99832431161328 0.60160907544235 22.990 > 45 49 S 0.02477828432573 0.12862095061013 0.92742103008391 32.065 > 49 50 S 0.52477828432573 0.12862095061013 0.92742103008391 32.065 > 49 51 S 0.02477828432573 0.62862095061013 0.92742103008391 32.065 > 49 52 S 0.52477828432573 0.62862095061013 0.92742103008391 32.065 > 49 53 S 0.02477828432573 0.12137904938987 0.42742103008391 32.065 > 53 54 S 0.52477828432573 0.12137904938987 0.42742103008391 32.065 > 53 55 S 0.02477828432573 0.62137904938987 0.42742103008391 32.065 > 53 56 S 0.52477828432573 0.62137904938987 0.42742103008391 32.065 > 53 57 S 0.47522171567427 0.37862095061013 0.57257896991609 32.065 > 57 58 S 0.97522171567427 0.37862095061013 0.57257896991609 32.065 > 57 59 S 0.47522171567427 0.87862095061013 0.57257896991609 32.065 > 57 60 S 0.97522171567427 0.87862095061013 0.57257896991609 32.065 > 57 61 S 0.47522171567427 0.37137904938987 0.07257896991609 32.065 > 61 62 S 0.97522171567427 0.37137904938987 0.07257896991609 32.065 > 61 63 S 0.47522171567427 0.87137904938987 0.07257896991609 32.065 > 61 64 S 0.97522171567427 0.87137904938987 0.07257896991609 32.065 > 61 65 S 0.17592605791307 0.34827529176093 0.42973632267691 32.065 > 65 66 S 0.67592605791307 0.34827529176093 0.42973632267691 32.065 > 65 67 S 0.17592605791307 0.84827529176093 0.42973632267691 32.065 > 65 68 S 0.67592605791307 0.84827529176093 0.42973632267691 32.065 > 65 69 S 0.32407394208693 0.09827529176093 0.07026367732309 32.065 > 69 70 S 0.82407394208693 0.09827529176093 0.07026367732309 32.065 > 69 71 S 0.32407394208693 0.59827529176093 0.07026367732309 32.065 > 69 72 S 0.82407394208693 0.59827529176093 0.07026367732309 32.065 > 69 73 S 0.32407394208693 0.15172470823907 0.57026367732309 32.065 > 73 74 S 0.82407394208693 0.15172470823907 0.57026367732309 32.065 > 73 75 S 0.32407394208693 0.65172470823907 0.57026367732309 32.065 > 73 76 S 0.82407394208693 0.65172470823907 0.57026367732309 32.065 > 73 77 S 0.17592605791307 0.40172470823907 0.92973632267691 32.065 > 77 78 S 0.67592605791307 0.40172470823907 0.92973632267691 32.065 > 77 79 S 0.17592605791307 0.90172470823907 0.92973632267691 32.065 > 77 80 S 0.67592605791307 0.90172470823907 0.92973632267691 32.065 > 77 81 S 0.17187958425118 0.12903472153875 0.27242526809176 32.065 > 81 82 S 0.67187958425118 0.12903472153875 0.27242526809176 32.065 > 81 83 S 0.17187958425118 0.62903472153875 0.27242526809176 32.065 > 81 84 S 0.67187958425118 0.62903472153875 0.27242526809176 32.065 > 81 85 S 0.32812041574882 0.37903472153875 0.22757473190824 32.065 > 85 86 S 0.82812041574882 0.37903472153875 0.22757473190824 32.065 > 85 87 S 0.32812041574882 0.87903472153875 0.22757473190824 32.065 > 85 88 S 0.82812041574882 0.87903472153875 0.22757473190824 32.065 > 85 89 S 0.32812041574882 0.37096527846125 0.72757473190824 32.065 > 89 90 S 0.82812041574882 0.37096527846125 0.72757473190824 32.065 > 89 91 S 0.32812041574882 0.87096527846125 0.72757473190824 32.065 > 89 92 S 0.82812041574882 0.87096527846125 0.72757473190824 32.065 > 89 93 S 0.17187958425118 0.12096527846125 0.77242526809176 32.065 > 93 94 S 0.67187958425118 0.12096527846125 0.77242526809176 32.065 > 93 95 S 0.17187958425118 0.62096527846125 0.77242526809176 32.065 > 93 96 S 0.67187958425118 0.62096527846125 0.77242526809176 32.065 > 93 97 Ga 0.33382358542721 0.32118337049085 0.58259288658658 69.723 > 97 98 Ga 0.83382358542721 0.32118337049085 0.58259288658658 69.723 > 97 99 Ga 0.33382358542721 0.82118337049085 0.58259288658658 69.723 > 97 100 Ga 0.83382358542721 0.82118337049085 0.58259288658658 69.723 > 97 101 Ga 0.16617641457279 0.17881662950915 0.41740711341342 69.723 > 101 102 Ga 0.66617641457279 0.17881662950915 0.41740711341342 69.723 > 101 103 Ga 0.16617641457279 0.67881662950915 0.41740711341342 69.723 > 101 104 Ga 0.66617641457279 0.67881662950915 0.41740711341342 69.723 > 101 105 Ga 0.33382358542721 0.42881662950915 0.08259288658658 69.723 > 105 106 Ga 0.83382358542721 0.42881662950915 0.08259288658658 69.723 > 105 107 Ga 0.33382358542721 0.92881662950915 0.08259288658658 69.723 > 105 108 Ga 0.83382358542721 0.92881662950915 0.08259288658658 69.723 > 105 109 Ga 0.16617641457279 0.07118337049085 0.91740711341342 69.723 > 109 110 Ga 0.66617641457279 0.07118337049085 0.91740711341342 69.723 > 109 111 Ga 0.16617641457279 0.57118337049085 0.91740711341342 69.723 > 109 112 Ga 0.66617641457279 0.57118337049085 0.91740711341342 69.723 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0914918 0.0000000 -0.0170431 0.0000000 3.9698116 0.0000000 -0.0170473 0.0000000 4.0858352 -------------------------- Born effective charges -------------------------- 1 Na 0.9491674 -0.0531806 0.2240791 -0.0245199 1.1835043 -0.0201623 0.2286376 -0.0787157 1.2186017 2 Na 0.9491674 0.0531806 0.2240791 0.0245199 1.1835043 0.0201623 0.2286376 0.0787157 1.2186017 3 Na 0.9491674 -0.0531806 0.2240791 -0.0245199 1.1835043 -0.0201623 0.2286376 -0.0787157 1.2186017 4 Na 0.9491674 0.0531806 0.2240791 0.0245199 1.1835043 0.0201623 0.2286376 0.0787157 1.2186017 5 Na 1.2426761 -0.0225666 -0.1167230 0.0510707 0.9330588 -0.0662701 -0.1062500 -0.0969275 1.1272468 6 Na 1.2426761 0.0225666 -0.1167230 -0.0510707 0.9330588 0.0662701 -0.1062500 0.0969275 1.1272468 7 Na 1.2426761 -0.0225666 -0.1167230 0.0510707 0.9330588 -0.0662701 -0.1062500 -0.0969275 1.1272468 8 Na 1.2426761 0.0225666 -0.1167230 -0.0510707 0.9330588 0.0662701 -0.1062500 0.0969275 1.1272468 9 Na 1.2175945 -0.0398067 -0.0893663 -0.0440466 1.2957332 0.0624205 -0.0961190 -0.0664299 1.0932112 10 Na 1.2175945 0.0398067 -0.0893663 0.0440466 1.2957332 -0.0624205 -0.0961190 0.0664299 1.0932112 11 Na 1.2175945 -0.0398067 -0.0893663 -0.0440466 1.2957332 0.0624205 -0.0961190 -0.0664299 1.0932112 12 Na 1.2175945 0.0398067 -0.0893663 0.0440466 1.2957332 -0.0624205 -0.0961190 0.0664299 1.0932112 13 S -2.4360146 0.4103252 0.0669474 0.4168160 -1.5915801 -0.0005122 -0.0427502 0.0611525 -1.5357144 14 S -2.4360146 -0.4103252 0.0669474 -0.4168160 -1.5915801 0.0005122 -0.0427502 -0.0611525 -1.5357144 15 S -2.4360146 -0.4103252 0.0669474 -0.4168160 -1.5915801 0.0005122 -0.0427502 -0.0611525 -1.5357144 16 S -2.4360146 0.4103252 0.0669474 0.4168160 -1.5915801 -0.0005122 -0.0427502 0.0611525 -1.5357144 17 S -1.4639811 -0.0508665 -0.4204665 -0.0649216 -2.1769360 -0.0384899 -0.4125086 -0.0975630 -1.9068468 18 S -1.4639811 0.0508665 -0.4204665 0.0649216 -2.1769360 0.0384899 -0.4125086 0.0975630 -1.9068468 19 S -1.4639811 -0.0508665 -0.4204665 -0.0649216 -2.1769360 -0.0384899 -0.4125086 -0.0975630 -1.9068468 20 S -1.4639811 0.0508665 -0.4204665 0.0649216 -2.1769360 0.0384899 -0.4125086 0.0975630 -1.9068468 21 S -1.7590531 0.1024627 0.3344401 0.0642254 -1.5874812 -0.4079531 0.4457977 -0.3699467 -2.2912523 22 S -1.7590531 -0.1024627 0.3344401 -0.0642254 -1.5874812 0.4079531 0.4457977 0.3699467 -2.2912523 23 S -1.7590531 0.1024627 0.3344401 0.0642254 -1.5874812 -0.4079531 0.4457977 -0.3699467 -2.2912523 24 S -1.7590531 -0.1024627 0.3344401 -0.0642254 -1.5874812 0.4079531 0.4457977 0.3699467 -2.2912523 25 Ga 2.2496108 0.3747763 0.0010892 0.3781690 1.9437010 0.5462790 -0.0168076 0.5769175 2.2947538 26 Ga 2.2496108 0.3747763 0.0010892 0.3781690 1.9437010 0.5462790 -0.0168076 0.5769175 2.2947538 27 Ga 2.2496108 -0.3747763 0.0010892 -0.3781690 1.9437010 -0.5462790 -0.0168076 -0.5769175 2.2947538 28 Ga 2.2496108 -0.3747763 0.0010892 -0.3781690 1.9437010 -0.5462790 -0.0168076 -0.5769175 2.2947538 ---------------------------------------------------------------------------- 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 17, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 49, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 97, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000129 (xxx) -0.00000129 (xxx) -0.00000129 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000081 (yx) -0.00000081 (yx) 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 04:11:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:11:45]------------------------- Compiled with OpenMP support (max 32 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.124781790024777 0.000000000000000 0.000000000000000 b 0.000000000000000 6.885924739999999 0.000000000000000 c -6.946559292971581 0.000000000000000 12.625557950022392 Atomic positions (fractional): 1 Na 0.93476845940481 0.46459621646342 0.21011230408407 22.990 2 Na 0.06523154059519 0.96459621646342 0.28988769591593 22.990 3 Na 0.06523154059519 0.53540378353658 0.78988769591593 22.990 4 Na 0.93476845940481 0.03540378353658 0.71011230408407 22.990 5 Na 0.72870600577694 0.50355767610905 0.38965214544808 22.990 6 Na 0.27129399422306 0.00355767610905 0.11034785455192 22.990 7 Na 0.27129399422306 0.49644232389095 0.61034785455192 22.990 8 Na 0.72870600577694 0.99644232389095 0.88965214544808 22.990 9 Na 0.31030253075014 0.50335137677343 0.10160907544235 22.990 10 Na 0.68969746924986 0.00335137677343 0.39839092455765 22.990 11 Na 0.68969746924986 0.49664862322657 0.89839092455765 22.990 12 Na 0.31030253075014 0.99664862322657 0.60160907544235 22.990 13 S 0.04955656865146 0.25724190122025 0.92742103008391 32.065 14 S 0.04955656865146 0.24275809877974 0.42742103008391 32.065 15 S 0.95044343134855 0.75724190122026 0.57257896991609 32.065 16 S 0.95044343134855 0.74275809877974 0.07257896991609 32.065 17 S 0.35185211582615 0.69655058352185 0.42973632267691 32.065 18 S 0.64814788417385 0.19655058352186 0.07026367732309 32.065 19 S 0.64814788417385 0.30344941647814 0.57026367732309 32.065 20 S 0.35185211582615 0.80344941647815 0.92973632267691 32.065 21 S 0.34375916850236 0.25806944307751 0.27242526809176 32.065 22 S 0.65624083149764 0.75806944307751 0.22757473190824 32.065 23 S 0.65624083149764 0.74193055692249 0.72757473190824 32.065 24 S 0.34375916850236 0.24193055692249 0.77242526809176 32.065 25 Ga 0.66764717085441 0.64236674098169 0.58259288658658 69.723 26 Ga 0.33235282914559 0.35763325901831 0.41740711341342 69.723 27 Ga 0.66764717085441 0.85763325901831 0.08259288658658 69.723 28 Ga 0.33235282914559 0.14236674098169 0.91740711341342 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.249563580049553 0.000000000000000 0.000000000000000 b 0.000000000000000 13.771849479999998 0.000000000000000 c -6.946559292971581 0.000000000000000 12.625557950022392 Atomic positions (fractional): 1 Na 0.46738422970241 0.23229810823171 0.21011230408407 22.990 > 1 2 Na 0.96738422970241 0.23229810823171 0.21011230408407 22.990 > 1 3 Na 0.46738422970241 0.73229810823171 0.21011230408407 22.990 > 1 4 Na 0.96738422970241 0.73229810823171 0.21011230408407 22.990 > 1 5 Na 0.03261577029759 0.48229810823171 0.28988769591593 22.990 > 5 6 Na 0.53261577029759 0.48229810823171 0.28988769591593 22.990 > 5 7 Na 0.03261577029759 0.98229810823171 0.28988769591593 22.990 > 5 8 Na 0.53261577029759 0.98229810823171 0.28988769591593 22.990 > 5 9 Na 0.03261577029759 0.26770189176829 0.78988769591593 22.990 > 9 10 Na 0.53261577029759 0.26770189176829 0.78988769591593 22.990 > 9 11 Na 0.03261577029759 0.76770189176829 0.78988769591593 22.990 > 9 12 Na 0.53261577029759 0.76770189176829 0.78988769591593 22.990 > 9 13 Na 0.46738422970241 0.01770189176829 0.71011230408407 22.990 > 13 14 Na 0.96738422970241 0.01770189176829 0.71011230408407 22.990 > 13 15 Na 0.46738422970241 0.51770189176829 0.71011230408407 22.990 > 13 16 Na 0.96738422970241 0.51770189176829 0.71011230408407 22.990 > 13 17 Na 0.36435300288847 0.25177883805453 0.38965214544808 22.990 > 17 18 Na 0.86435300288847 0.25177883805453 0.38965214544808 22.990 > 17 19 Na 0.36435300288847 0.75177883805453 0.38965214544808 22.990 > 17 20 Na 0.86435300288847 0.75177883805453 0.38965214544808 22.990 > 17 21 Na 0.13564699711153 0.00177883805453 0.11034785455192 22.990 > 21 22 Na 0.63564699711153 0.00177883805453 0.11034785455192 22.990 > 21 23 Na 0.13564699711153 0.50177883805453 0.11034785455192 22.990 > 21 24 Na 0.63564699711153 0.50177883805453 0.11034785455192 22.990 > 21 25 Na 0.13564699711153 0.24822116194547 0.61034785455192 22.990 > 25 26 Na 0.63564699711153 0.24822116194547 0.61034785455192 22.990 > 25 27 Na 0.13564699711153 0.74822116194547 0.61034785455192 22.990 > 25 28 Na 0.63564699711153 0.74822116194547 0.61034785455192 22.990 > 25 29 Na 0.36435300288847 0.49822116194547 0.88965214544808 22.990 > 29 30 Na 0.86435300288847 0.49822116194547 0.88965214544808 22.990 > 29 31 Na 0.36435300288847 0.99822116194547 0.88965214544808 22.990 > 29 32 Na 0.86435300288847 0.99822116194547 0.88965214544808 22.990 > 29 33 Na 0.15515126537507 0.25167568838672 0.10160907544235 22.990 > 33 34 Na 0.65515126537507 0.25167568838672 0.10160907544235 22.990 > 33 35 Na 0.15515126537507 0.75167568838672 0.10160907544235 22.990 > 33 36 Na 0.65515126537507 0.75167568838672 0.10160907544235 22.990 > 33 37 Na 0.34484873462493 0.00167568838671 0.39839092455765 22.990 > 37 38 Na 0.84484873462493 0.00167568838671 0.39839092455765 22.990 > 37 39 Na 0.34484873462493 0.50167568838671 0.39839092455765 22.990 > 37 40 Na 0.84484873462493 0.50167568838671 0.39839092455765 22.990 > 37 41 Na 0.34484873462493 0.24832431161328 0.89839092455765 22.990 > 41 42 Na 0.84484873462493 0.24832431161328 0.89839092455765 22.990 > 41 43 Na 0.34484873462493 0.74832431161328 0.89839092455765 22.990 > 41 44 Na 0.84484873462493 0.74832431161328 0.89839092455765 22.990 > 41 45 Na 0.15515126537507 0.49832431161328 0.60160907544235 22.990 > 45 46 Na 0.65515126537507 0.49832431161328 0.60160907544235 22.990 > 45 47 Na 0.15515126537507 0.99832431161328 0.60160907544235 22.990 > 45 48 Na 0.65515126537507 0.99832431161328 0.60160907544235 22.990 > 45 49 S 0.02477828432573 0.12862095061013 0.92742103008391 32.065 > 49 50 S 0.52477828432573 0.12862095061013 0.92742103008391 32.065 > 49 51 S 0.02477828432573 0.62862095061013 0.92742103008391 32.065 > 49 52 S 0.52477828432573 0.62862095061013 0.92742103008391 32.065 > 49 53 S 0.02477828432573 0.12137904938987 0.42742103008391 32.065 > 53 54 S 0.52477828432573 0.12137904938987 0.42742103008391 32.065 > 53 55 S 0.02477828432573 0.62137904938987 0.42742103008391 32.065 > 53 56 S 0.52477828432573 0.62137904938987 0.42742103008391 32.065 > 53 57 S 0.47522171567427 0.37862095061013 0.57257896991609 32.065 > 57 58 S 0.97522171567427 0.37862095061013 0.57257896991609 32.065 > 57 59 S 0.47522171567427 0.87862095061013 0.57257896991609 32.065 > 57 60 S 0.97522171567427 0.87862095061013 0.57257896991609 32.065 > 57 61 S 0.47522171567427 0.37137904938987 0.07257896991609 32.065 > 61 62 S 0.97522171567427 0.37137904938987 0.07257896991609 32.065 > 61 63 S 0.47522171567427 0.87137904938987 0.07257896991609 32.065 > 61 64 S 0.97522171567427 0.87137904938987 0.07257896991609 32.065 > 61 65 S 0.17592605791307 0.34827529176093 0.42973632267691 32.065 > 65 66 S 0.67592605791307 0.34827529176093 0.42973632267691 32.065 > 65 67 S 0.17592605791307 0.84827529176093 0.42973632267691 32.065 > 65 68 S 0.67592605791307 0.84827529176093 0.42973632267691 32.065 > 65 69 S 0.32407394208693 0.09827529176093 0.07026367732309 32.065 > 69 70 S 0.82407394208693 0.09827529176093 0.07026367732309 32.065 > 69 71 S 0.32407394208693 0.59827529176093 0.07026367732309 32.065 > 69 72 S 0.82407394208693 0.59827529176093 0.07026367732309 32.065 > 69 73 S 0.32407394208693 0.15172470823907 0.57026367732309 32.065 > 73 74 S 0.82407394208693 0.15172470823907 0.57026367732309 32.065 > 73 75 S 0.32407394208693 0.65172470823907 0.57026367732309 32.065 > 73 76 S 0.82407394208693 0.65172470823907 0.57026367732309 32.065 > 73 77 S 0.17592605791307 0.40172470823907 0.92973632267691 32.065 > 77 78 S 0.67592605791307 0.40172470823907 0.92973632267691 32.065 > 77 79 S 0.17592605791307 0.90172470823907 0.92973632267691 32.065 > 77 80 S 0.67592605791307 0.90172470823907 0.92973632267691 32.065 > 77 81 S 0.17187958425118 0.12903472153875 0.27242526809176 32.065 > 81 82 S 0.67187958425118 0.12903472153875 0.27242526809176 32.065 > 81 83 S 0.17187958425118 0.62903472153875 0.27242526809176 32.065 > 81 84 S 0.67187958425118 0.62903472153875 0.27242526809176 32.065 > 81 85 S 0.32812041574882 0.37903472153875 0.22757473190824 32.065 > 85 86 S 0.82812041574882 0.37903472153875 0.22757473190824 32.065 > 85 87 S 0.32812041574882 0.87903472153875 0.22757473190824 32.065 > 85 88 S 0.82812041574882 0.87903472153875 0.22757473190824 32.065 > 85 89 S 0.32812041574882 0.37096527846125 0.72757473190824 32.065 > 89 90 S 0.82812041574882 0.37096527846125 0.72757473190824 32.065 > 89 91 S 0.32812041574882 0.87096527846125 0.72757473190824 32.065 > 89 92 S 0.82812041574882 0.87096527846125 0.72757473190824 32.065 > 89 93 S 0.17187958425118 0.12096527846125 0.77242526809176 32.065 > 93 94 S 0.67187958425118 0.12096527846125 0.77242526809176 32.065 > 93 95 S 0.17187958425118 0.62096527846125 0.77242526809176 32.065 > 93 96 S 0.67187958425118 0.62096527846125 0.77242526809176 32.065 > 93 97 Ga 0.33382358542721 0.32118337049085 0.58259288658658 69.723 > 97 98 Ga 0.83382358542721 0.32118337049085 0.58259288658658 69.723 > 97 99 Ga 0.33382358542721 0.82118337049085 0.58259288658658 69.723 > 97 100 Ga 0.83382358542721 0.82118337049085 0.58259288658658 69.723 > 97 101 Ga 0.16617641457279 0.17881662950915 0.41740711341342 69.723 > 101 102 Ga 0.66617641457279 0.17881662950915 0.41740711341342 69.723 > 101 103 Ga 0.16617641457279 0.67881662950915 0.41740711341342 69.723 > 101 104 Ga 0.66617641457279 0.67881662950915 0.41740711341342 69.723 > 101 105 Ga 0.33382358542721 0.42881662950915 0.08259288658658 69.723 > 105 106 Ga 0.83382358542721 0.42881662950915 0.08259288658658 69.723 > 105 107 Ga 0.33382358542721 0.92881662950915 0.08259288658658 69.723 > 105 108 Ga 0.83382358542721 0.92881662950915 0.08259288658658 69.723 > 105 109 Ga 0.16617641457279 0.07118337049085 0.91740711341342 69.723 > 109 110 Ga 0.66617641457279 0.07118337049085 0.91740711341342 69.723 > 109 111 Ga 0.16617641457279 0.57118337049085 0.91740711341342 69.723 > 109 112 Ga 0.66617641457279 0.57118337049085 0.91740711341342 69.723 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0914918 0.0000000 -0.0170431 0.0000000 3.9698116 0.0000000 -0.0170473 0.0000000 4.0858352 -------------------------- Born effective charges -------------------------- 1 Na 0.9491674 -0.0531806 0.2240791 -0.0245199 1.1835043 -0.0201623 0.2286376 -0.0787157 1.2186017 2 Na 0.9491674 0.0531806 0.2240791 0.0245199 1.1835043 0.0201623 0.2286376 0.0787157 1.2186017 3 Na 0.9491674 -0.0531806 0.2240791 -0.0245199 1.1835043 -0.0201623 0.2286376 -0.0787157 1.2186017 4 Na 0.9491674 0.0531806 0.2240791 0.0245199 1.1835043 0.0201623 0.2286376 0.0787157 1.2186017 5 Na 1.2426761 -0.0225666 -0.1167230 0.0510707 0.9330588 -0.0662701 -0.1062500 -0.0969275 1.1272468 6 Na 1.2426761 0.0225666 -0.1167230 -0.0510707 0.9330588 0.0662701 -0.1062500 0.0969275 1.1272468 7 Na 1.2426761 -0.0225666 -0.1167230 0.0510707 0.9330588 -0.0662701 -0.1062500 -0.0969275 1.1272468 8 Na 1.2426761 0.0225666 -0.1167230 -0.0510707 0.9330588 0.0662701 -0.1062500 0.0969275 1.1272468 9 Na 1.2175945 -0.0398067 -0.0893663 -0.0440466 1.2957332 0.0624205 -0.0961190 -0.0664299 1.0932112 10 Na 1.2175945 0.0398067 -0.0893663 0.0440466 1.2957332 -0.0624205 -0.0961190 0.0664299 1.0932112 11 Na 1.2175945 -0.0398067 -0.0893663 -0.0440466 1.2957332 0.0624205 -0.0961190 -0.0664299 1.0932112 12 Na 1.2175945 0.0398067 -0.0893663 0.0440466 1.2957332 -0.0624205 -0.0961190 0.0664299 1.0932112 13 S -2.4360146 0.4103252 0.0669474 0.4168160 -1.5915801 -0.0005122 -0.0427502 0.0611525 -1.5357144 14 S -2.4360146 -0.4103252 0.0669474 -0.4168160 -1.5915801 0.0005122 -0.0427502 -0.0611525 -1.5357144 15 S -2.4360146 -0.4103252 0.0669474 -0.4168160 -1.5915801 0.0005122 -0.0427502 -0.0611525 -1.5357144 16 S -2.4360146 0.4103252 0.0669474 0.4168160 -1.5915801 -0.0005122 -0.0427502 0.0611525 -1.5357144 17 S -1.4639811 -0.0508665 -0.4204665 -0.0649216 -2.1769360 -0.0384899 -0.4125086 -0.0975630 -1.9068468 18 S -1.4639811 0.0508665 -0.4204665 0.0649216 -2.1769360 0.0384899 -0.4125086 0.0975630 -1.9068468 19 S -1.4639811 -0.0508665 -0.4204665 -0.0649216 -2.1769360 -0.0384899 -0.4125086 -0.0975630 -1.9068468 20 S -1.4639811 0.0508665 -0.4204665 0.0649216 -2.1769360 0.0384899 -0.4125086 0.0975630 -1.9068468 21 S -1.7590531 0.1024627 0.3344401 0.0642254 -1.5874812 -0.4079531 0.4457977 -0.3699467 -2.2912523 22 S -1.7590531 -0.1024627 0.3344401 -0.0642254 -1.5874812 0.4079531 0.4457977 0.3699467 -2.2912523 23 S -1.7590531 0.1024627 0.3344401 0.0642254 -1.5874812 -0.4079531 0.4457977 -0.3699467 -2.2912523 24 S -1.7590531 -0.1024627 0.3344401 -0.0642254 -1.5874812 0.4079531 0.4457977 0.3699467 -2.2912523 25 Ga 2.2496108 0.3747763 0.0010892 0.3781690 1.9437010 0.5462790 -0.0168076 0.5769175 2.2947538 26 Ga 2.2496108 0.3747763 0.0010892 0.3781690 1.9437010 0.5462790 -0.0168076 0.5769175 2.2947538 27 Ga 2.2496108 -0.3747763 0.0010892 -0.3781690 1.9437010 -0.5462790 -0.0168076 -0.5769175 2.2947538 28 Ga 2.2496108 -0.3747763 0.0010892 -0.3781690 1.9437010 -0.5462790 -0.0168076 -0.5769175 2.2947538 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000129 (xxx) -0.00000129 (xxx) -0.00000129 (xxx) 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 ... [ 8 7 4 ] 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: 0.49, Number of G-points: 303, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 72 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 1.499 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.816 ( 0.000 0.000 0.000) 0.000 1.816 ( 0.000 0.000 0.000) 0.000 1.870 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.684 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.521 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.697 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 3.990 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.246 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 5.011 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.204 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.318 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.431 ( 0.000 0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.646 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 5.999 ( 0.000 0.000 0.000) 0.000 6.033 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.547 ( 0.000 0.000 0.000) 0.000 6.559 ( 0.000 0.000 0.000) 0.000 6.601 ( 0.000 0.000 0.000) 0.000 6.603 ( 0.000 0.000 0.000) 0.000 8.011 ( 0.000 0.000 0.000) 0.000 8.037 ( 0.000 0.000 0.000) 0.000 8.582 ( 0.000 0.000 0.000) 0.000 8.757 ( 0.000 0.000 0.000) 0.000 9.986 ( 0.000 0.000 0.000) 0.000 10.304 ( 0.000 0.000 0.000) 0.000 10.447 ( 0.000 0.000 0.000) 0.000 10.479 ( 0.000 0.000 0.000) 0.000 10.523 ( 0.000 0.000 0.000) 0.000 10.579 ( 0.000 0.000 0.000) 0.000 10.859 ( 0.000 0.000 0.000) 0.000 10.917 ( 0.000 0.000 0.000) 0.000 11.030 ( 0.000 0.000 0.000) 0.000 11.138 ( 0.000 0.000 0.000) 0.000 11.141 ( 0.000 0.000 0.000) 0.000 11.529 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 23.869 0.000 -0.094) 23.869 0.454 ( 16.901 0.000 15.528) 22.951 0.814 ( 32.598 0.000 21.279) 38.929 1.268 ( -1.770 0.000 -22.983) 23.051 1.542 ( 3.390 0.000 -11.797) 12.274 1.686 ( -9.889 0.000 3.462) 10.478 1.699 ( 2.786 0.000 6.813) 7.360 1.803 ( 1.952 0.000 3.278) 3.815 1.838 ( -2.926 0.000 2.708) 3.987 1.900 ( -0.180 0.000 -3.964) 3.968 1.964 ( 4.998 0.000 4.517) 6.736 2.180 ( 7.022 0.000 2.529) 7.464 2.498 ( -1.670 0.000 -10.839) 10.967 2.509 ( -8.419 0.000 -2.119) 8.681 2.787 ( 1.063 0.000 0.752) 1.302 2.812 ( 3.478 0.000 0.143) 3.481 2.872 ( -0.317 0.000 -7.724) 7.731 2.915 ( -2.746 0.000 0.618) 2.814 2.991 ( 0.603 0.000 2.452) 2.525 3.024 ( 1.409 0.000 0.368) 1.456 3.174 ( 0.537 0.000 -4.799) 4.829 3.195 ( -1.810 0.000 0.200) 1.821 3.349 ( -2.844 0.000 0.159) 2.848 3.395 ( -2.945 0.000 -2.061) 3.595 3.411 ( 0.575 0.000 6.879) 6.903 3.489 ( 5.166 0.000 -0.292) 5.174 3.557 ( -0.127 0.000 -0.070) 0.145 3.622 ( 2.214 0.000 1.892) 2.913 3.637 ( -0.421 0.000 -4.385) 4.406 3.715 ( -1.913 0.000 -5.770) 6.079 3.728 ( 3.683 0.000 -0.518) 3.719 3.795 ( -1.335 0.000 -0.636) 1.479 3.803 ( 4.944 0.000 -3.235) 5.909 3.971 ( -1.095 0.000 -2.930) 3.128 4.049 ( -1.425 0.000 -0.828) 1.648 4.083 ( 5.191 0.000 5.646) 7.670 4.289 ( 0.145 0.000 -2.570) 2.575 4.308 ( 0.565 0.000 10.467) 10.482 4.455 ( -0.297 0.000 -2.012) 2.034 4.484 ( 5.760 0.000 -17.148) 18.089 4.525 ( -4.400 0.000 5.601) 7.123 4.709 ( 0.329 0.000 0.168) 0.370 4.709 ( 2.783 0.000 -0.330) 2.803 4.796 ( -2.215 0.000 1.391) 2.616 4.836 ( 6.979 0.000 3.906) 7.998 4.846 ( 2.340 0.000 -3.441) 4.161 5.000 ( 0.202 0.000 -1.838) 1.849 5.087 ( 3.023 0.000 5.642) 6.401 5.150 ( -1.159 0.000 -3.866) 4.036 5.175 ( -1.059 0.000 1.866) 2.145 5.233 ( 1.370 0.000 -1.775) 2.242 5.400 ( -4.474 0.000 1.276) 4.653 5.419 ( 0.055 0.000 6.387) 6.387 5.524 ( 0.843 0.000 -5.218) 5.286 5.576 ( -3.230 0.000 -2.224) 3.922 5.755 ( 2.473 0.000 -0.201) 2.481 5.872 ( 2.132 0.000 -2.319) 3.150 5.922 ( -4.265 0.000 0.204) 4.270 5.995 ( 0.563 0.000 -1.199) 1.325 6.054 ( 2.351 0.000 0.295) 2.369 6.140 ( -0.658 0.000 2.868) 2.942 6.281 ( -0.485 0.000 -3.899) 3.929 6.397 ( -2.544 0.000 1.078) 2.763 6.430 ( -12.466 0.000 16.282) 20.506 6.532 ( -1.268 0.000 -0.475) 1.354 6.537 ( -1.631 0.000 -0.196) 1.643 6.601 ( -0.676 0.000 0.496) 0.838 6.719 ( -4.863 0.000 0.573) 4.897 8.014 ( 0.047 0.000 0.559) 0.561 8.029 ( -0.553 0.000 -0.392) 0.678 8.570 ( -2.043 0.000 1.282) 2.412 8.806 ( -5.282 0.000 2.416) 5.809 10.201 ( -2.298 0.000 8.035) 8.357 10.294 ( -0.659 0.000 -1.486) 1.625 10.487 ( 0.467 0.000 0.750) 0.883 10.499 ( -1.715 0.000 -0.679) 1.845 10.587 ( 2.785 0.000 -4.189) 5.030 10.662 ( -12.356 0.000 20.923) 24.300 10.940 ( 0.921 0.000 2.957) 3.098 11.038 ( -5.472 0.000 -1.659) 5.718 11.058 ( 2.524 0.000 0.609) 2.596 11.200 ( 3.323 0.000 -0.618) 3.380 11.537 ( 15.121 0.000 -30.357) 33.914 11.598 ( 3.283 0.000 6.071) 6.902 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 22.567 0.000 0.124) 22.567 0.884 ( 14.986 0.000 14.480) 20.838 1.029 ( 2.367 0.000 -20.292) 20.429 1.368 ( -9.067 0.000 -6.805) 11.337 1.521 ( 17.628 0.000 10.043) 20.289 1.617 ( 2.844 0.000 -10.815) 11.182 1.677 ( -1.516 0.000 3.543) 3.854 1.753 ( -3.641 0.000 2.319) 4.317 1.871 ( 1.628 0.000 6.327) 6.533 2.051 ( 5.765 0.000 11.190) 12.587 2.105 ( 3.502 0.000 2.780) 4.471 2.237 ( -0.429 0.000 -2.349) 2.388 2.309 ( -8.800 0.000 1.951) 9.014 2.466 ( 4.614 0.000 -4.451) 6.411 2.750 ( 5.030 0.000 -3.844) 6.331 2.783 ( -3.926 0.000 -4.381) 5.883 2.876 ( 0.961 0.000 -0.684) 1.179 3.003 ( 0.933 0.000 7.601) 7.658 3.049 ( 2.336 0.000 -1.928) 3.029 3.054 ( 3.121 0.000 7.942) 8.533 3.094 ( -3.760 0.000 -9.780) 10.478 3.170 ( -1.588 0.000 2.096) 2.630 3.292 ( -1.995 0.000 -6.415) 6.718 3.330 ( 0.559 0.000 1.904) 1.984 3.418 ( -4.341 0.000 3.504) 5.578 3.472 ( -6.847 0.000 -1.039) 6.925 3.556 ( -2.651 0.000 -8.796) 9.187 3.600 ( 6.642 0.000 -0.984) 6.714 3.632 ( 0.024 0.000 -2.127) 2.127 3.712 ( 4.305 0.000 3.464) 5.526 3.754 ( -1.536 0.000 -0.322) 1.570 3.814 ( 5.518 0.000 -2.720) 6.152 3.885 ( 4.300 0.000 -2.137) 4.801 3.905 ( -3.809 0.000 -0.690) 3.871 4.031 ( 1.556 0.000 -2.444) 2.897 4.197 ( -0.462 0.000 4.325) 4.350 4.256 ( -0.857 0.000 -1.556) 1.777 4.382 ( 3.669 0.000 5.393) 6.523 4.437 ( 1.042 0.000 -4.500) 4.620 4.518 ( 0.398 0.000 -0.820) 0.911 4.561 ( -0.486 0.000 5.223) 5.246 4.687 ( 2.478 0.000 4.409) 5.058 4.723 ( -1.796 0.000 -3.178) 3.650 4.796 ( 0.845 0.000 -1.102) 1.388 4.822 ( 0.994 0.000 -3.856) 3.982 4.943 ( 2.625 0.000 -0.976) 2.800 5.041 ( 4.001 0.000 4.134) 5.753 5.054 ( -4.001 0.000 -3.237) 5.147 5.200 ( 1.807 0.000 5.482) 5.772 5.218 ( 1.719 0.000 2.065) 2.687 5.264 ( 3.406 0.000 1.270) 3.635 5.300 ( -5.376 0.000 -2.169) 5.797 5.477 ( -4.967 0.000 4.225) 6.521 5.496 ( 0.084 0.000 -1.667) 1.669 5.513 ( 2.770 0.000 0.814) 2.888 5.775 ( -0.269 0.000 -0.122) 0.295 5.852 ( -2.837 0.000 -0.032) 2.838 5.874 ( 1.658 0.000 -3.738) 4.089 5.997 ( -0.155 0.000 0.568) 0.589 6.107 ( 2.320 0.000 -0.895) 2.487 6.162 ( 1.255 0.000 1.754) 2.157 6.219 ( -0.941 0.000 -5.737) 5.814 6.325 ( -5.272 0.000 -2.041) 5.653 6.354 ( -8.505 0.000 6.971) 10.997 6.504 ( -1.323 0.000 -0.099) 1.326 6.518 ( -0.682 0.000 0.608) 0.913 6.588 ( -1.468 0.000 0.896) 1.720 6.612 ( -6.038 0.000 -1.659) 6.262 8.015 ( -0.517 0.000 -0.261) 0.580 8.020 ( -0.097 0.000 0.695) 0.701 8.538 ( -2.893 0.000 1.430) 3.227 8.715 ( -5.319 0.000 -0.992) 5.411 10.245 ( 0.742 0.000 3.459) 3.538 10.246 ( -1.462 0.000 -4.016) 4.274 10.468 ( -0.921 0.000 -0.488) 1.042 10.505 ( 0.613 0.000 0.761) 0.977 10.583 ( 1.987 0.000 -5.791) 6.123 10.652 ( -5.539 0.000 9.822) 11.276 10.943 ( -3.896 0.000 -0.208) 3.902 11.001 ( 1.338 0.000 5.157) 5.328 11.113 ( 2.968 0.000 0.084) 2.970 11.261 ( 4.246 0.000 -0.258) 4.254 11.499 ( 5.616 0.000 -15.027) 16.042 11.716 ( 1.849 0.000 7.269) 7.501 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 7.502 0.000 -11.923) 14.086 1.093 ( -7.321 0.000 3.957) 8.322 1.200 ( 17.954 0.000 0.666) 17.967 1.349 ( 13.859 0.000 6.721) 15.402 1.431 ( -8.137 0.000 -2.650) 8.557 1.546 ( 2.999 0.000 -11.876) 12.249 1.685 ( -7.414 0.000 4.230) 8.536 1.866 ( -2.789 0.000 -1.869) 3.358 1.976 ( -4.376 0.000 -2.433) 5.007 2.010 ( -1.294 0.000 0.972) 1.618 2.184 ( 4.403 0.000 4.121) 6.031 2.318 ( -1.631 0.000 11.053) 11.173 2.428 ( 14.920 0.000 13.851) 20.358 2.541 ( 5.532 0.000 -8.695) 10.306 2.720 ( -0.322 0.000 9.120) 9.126 2.845 ( 7.234 0.000 -2.608) 7.690 2.874 ( -6.135 0.000 -9.457) 11.273 2.936 ( 4.309 0.000 0.024) 4.309 3.023 ( -4.242 0.000 5.635) 7.054 3.095 ( -1.456 0.000 1.046) 1.793 3.096 ( 4.093 0.000 -3.202) 5.197 3.170 ( -3.741 0.000 0.402) 3.763 3.211 ( -1.759 0.000 -6.880) 7.102 3.341 ( -6.801 0.000 1.695) 7.009 3.353 ( -3.327 0.000 -1.032) 3.483 3.402 ( -3.609 0.000 -7.898) 8.683 3.432 ( 5.921 0.000 2.628) 6.478 3.633 ( 0.463 0.000 -0.181) 0.497 3.664 ( 1.185 0.000 -0.668) 1.360 3.777 ( 1.826 0.000 -0.001) 1.826 3.806 ( 1.726 0.000 -2.353) 2.918 3.823 ( 3.859 0.000 3.874) 5.468 3.910 ( 0.716 0.000 3.363) 3.439 3.911 ( 2.077 0.000 -3.058) 3.697 4.037 ( 1.069 0.000 -2.722) 2.924 4.172 ( -3.281 0.000 0.967) 3.420 4.223 ( -1.916 0.000 -1.670) 2.542 4.428 ( 0.282 0.000 1.068) 1.105 4.450 ( -1.568 0.000 -3.209) 3.572 4.514 ( -0.359 0.000 -0.059) 0.364 4.552 ( 0.009 0.000 5.279) 5.279 4.611 ( -2.020 0.000 -5.433) 5.796 4.803 ( 3.250 0.000 0.245) 3.260 4.824 ( 0.424 0.000 -3.006) 3.036 4.849 ( 3.154 0.000 4.613) 5.588 4.961 ( -3.624 0.000 -1.683) 3.996 4.990 ( 2.516 0.000 3.874) 4.619 5.138 ( -4.338 0.000 -4.424) 6.196 5.150 ( 2.770 0.000 2.962) 4.056 5.229 ( -0.283 0.000 0.098) 0.299 5.312 ( 2.490 0.000 2.211) 3.330 5.349 ( -1.160 0.000 6.904) 7.001 5.422 ( 0.560 0.000 -1.596) 1.691 5.495 ( 0.437 0.000 0.094) 0.447 5.619 ( 5.268 0.000 1.649) 5.520 5.756 ( -1.952 0.000 2.347) 3.053 5.828 ( -0.132 0.000 -0.368) 0.391 5.875 ( 2.006 0.000 -1.941) 2.791 5.997 ( -1.357 0.000 2.096) 2.497 6.090 ( -1.376 0.000 -2.921) 3.229 6.148 ( -1.396 0.000 -4.843) 5.040 6.185 ( -5.879 0.000 -4.547) 7.433 6.213 ( 2.230 0.000 0.244) 2.243 6.282 ( -4.724 0.000 2.676) 5.429 6.487 ( -0.858 0.000 0.417) 0.954 6.508 ( -3.462 0.000 -0.997) 3.602 6.523 ( 0.405 0.000 0.752) 0.854 6.569 ( -1.611 0.000 0.661) 1.741 8.008 ( -0.213 0.000 0.066) 0.223 8.023 ( -0.167 0.000 0.438) 0.469 8.504 ( -1.990 0.000 0.793) 2.142 8.621 ( -3.625 0.000 -1.252) 3.835 10.186 ( -0.637 0.000 -3.639) 3.694 10.284 ( 0.808 0.000 1.329) 1.556 10.461 ( 0.166 0.000 0.711) 0.730 10.520 ( 0.344 0.000 0.336) 0.481 10.545 ( -0.269 0.000 -4.792) 4.799 10.657 ( -2.174 0.000 4.907) 5.367 10.898 ( -1.605 0.000 0.531) 1.691 11.075 ( 0.904 0.000 5.286) 5.363 11.154 ( 1.946 0.000 -0.793) 2.101 11.335 ( 3.665 0.000 0.087) 3.666 11.451 ( 1.998 0.000 -8.168) 8.409 11.788 ( -0.262 0.000 4.652) 4.660 ======================= Grid point 4 (5/72) ======================= q-point: (-0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.000 0.000 0.000) 0.000 1.024 ( 0.000 0.000 0.000) 0.000 1.306 ( 0.000 0.000 0.000) 0.000 1.435 ( -0.000 0.000 0.000) 0.000 1.510 ( 0.000 0.000 0.000) 0.000 1.604 ( 0.000 0.000 0.000) 0.000 1.665 ( 0.000 0.000 0.000) 0.000 1.728 ( -0.000 0.000 -0.000) 0.000 1.778 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.391 ( -0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 -0.000) 0.000 2.893 ( 0.000 0.000 -0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 2.992 ( -0.000 0.000 0.000) 0.000 3.063 ( -0.000 0.000 0.000) 0.000 3.095 ( -0.000 0.000 -0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.139 ( -0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.636 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 0.000) 0.000 3.894 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 -0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.411 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.511 ( 0.000 0.000 -0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 4.592 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 -0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.112 ( -0.000 0.000 -0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.226 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.829 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 5.992 ( 0.000 0.000 0.000) 0.000 6.047 ( -0.000 0.000 0.000) 0.000 6.066 ( 0.000 0.000 0.000) 0.000 6.125 ( 0.000 0.000 0.000) 0.000 6.239 ( -0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 -0.000) 0.000 6.477 ( 0.000 0.000 0.000) 0.000 6.482 ( 0.000 0.000 0.000) 0.000 6.539 ( 0.000 0.000 0.000) 0.000 6.549 ( -0.000 0.000 0.000) 0.000 8.007 ( 0.000 0.000 0.000) 0.000 8.024 ( 0.000 0.000 0.000) 0.000 8.489 ( 0.000 0.000 0.000) 0.000 8.581 ( 0.000 0.000 0.000) 0.000 10.162 ( 0.000 0.000 0.000) 0.000 10.297 ( 0.000 0.000 0.000) 0.000 10.481 ( 0.000 0.000 0.000) 0.000 10.502 ( 0.000 0.000 0.000) 0.000 10.524 ( 0.000 0.000 0.000) 0.000 10.663 ( 0.000 0.000 0.000) 0.000 10.888 ( 0.000 0.000 0.000) 0.000 11.114 ( 0.000 0.000 0.000) 0.000 11.166 ( 0.000 0.000 0.000) 0.000 11.371 ( 0.000 0.000 0.000) 0.000 11.426 ( 0.000 0.000 -0.000) 0.000 11.805 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/72) ======================= q-point: ( 0.00 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.211 ( 0.000 10.936 0.000) 10.936 0.491 ( 0.000 23.036 0.000) 23.036 0.852 ( 0.000 38.818 0.000) 38.818 1.411 ( 0.000 -5.238 0.000) 5.238 1.465 ( 0.000 -6.292 0.000) 6.292 1.576 ( 0.000 4.511 0.000) 4.511 1.712 ( 0.000 -6.828 0.000) 6.828 1.749 ( 0.000 -6.646 0.000) 6.646 1.847 ( 0.000 4.908 0.000) 4.908 1.880 ( 0.000 -0.614 0.000) 0.614 2.019 ( 0.000 2.715 0.000) 2.715 2.069 ( 0.000 2.263 0.000) 2.263 2.369 ( 0.000 -11.682 0.000) 11.682 2.610 ( 0.000 -1.771 0.000) 1.771 2.744 ( 0.000 0.036 0.000) 0.036 2.824 ( 0.000 6.315 0.000) 6.315 2.924 ( 0.000 -0.036 0.000) 0.036 3.010 ( 0.000 -2.393 0.000) 2.393 3.043 ( 0.000 4.885 0.000) 4.885 3.088 ( 0.000 8.926 0.000) 8.926 3.162 ( 0.000 0.554 0.000) 0.554 3.265 ( 0.000 0.050 0.000) 0.050 3.274 ( 0.000 -7.380 0.000) 7.380 3.391 ( 0.000 -2.390 0.000) 2.390 3.406 ( 0.000 1.559 0.000) 1.559 3.510 ( 0.000 3.087 0.000) 3.087 3.531 ( 0.000 -0.567 0.000) 0.567 3.634 ( 0.000 3.347 0.000) 3.347 3.700 ( 0.000 -4.335 0.000) 4.335 3.719 ( 0.000 3.816 0.000) 3.816 3.752 ( 0.000 1.523 0.000) 1.523 3.763 ( 0.000 2.628 0.000) 2.628 3.868 ( 0.000 4.464 0.000) 4.464 4.033 ( 0.000 2.477 0.000) 2.477 4.065 ( 0.000 3.911 0.000) 3.911 4.111 ( 0.000 5.472 0.000) 5.472 4.252 ( 0.000 0.365 0.000) 0.365 4.310 ( 0.000 1.084 0.000) 1.084 4.436 ( 0.000 0.838 0.000) 0.838 4.464 ( 0.000 -4.169 0.000) 4.169 4.479 ( 0.000 -5.811 0.000) 5.811 4.600 ( 0.000 -1.959 0.000) 1.959 4.707 ( 0.000 -2.871 0.000) 2.871 4.746 ( 0.000 -0.498 0.000) 0.498 4.828 ( 0.000 0.635 0.000) 0.635 4.863 ( 0.000 3.041 0.000) 3.041 4.920 ( 0.000 -5.823 0.000) 5.823 4.998 ( 0.000 -1.558 0.000) 1.558 5.187 ( 0.000 -1.601 0.000) 1.601 5.258 ( 0.000 6.256 0.000) 6.256 5.314 ( 0.000 -1.079 0.000) 1.079 5.343 ( 0.000 0.017 0.000) 0.017 5.400 ( 0.000 0.337 0.000) 0.337 5.507 ( 0.000 5.224 0.000) 5.224 5.561 ( 0.000 -5.455 0.000) 5.455 5.620 ( 0.000 -2.338 0.000) 2.338 5.796 ( 0.000 -7.079 0.000) 7.079 5.852 ( 0.000 -2.299 0.000) 2.299 5.903 ( 0.000 -5.143 0.000) 5.143 6.046 ( 0.000 -6.157 0.000) 6.157 6.128 ( 0.000 3.806 0.000) 3.806 6.159 ( 0.000 4.594 0.000) 4.594 6.308 ( 0.000 -4.421 0.000) 4.421 6.345 ( 0.000 -4.365 0.000) 4.365 6.579 ( 0.000 2.762 0.000) 2.762 6.600 ( 0.000 4.002 0.000) 4.002 6.668 ( 0.000 4.401 0.000) 4.401 7.146 ( 0.000 -2.050 0.000) 2.050 7.971 ( 0.000 -4.533 0.000) 4.533 8.004 ( 0.000 -0.680 0.000) 0.680 8.871 ( 0.000 8.988 0.000) 8.988 9.283 ( 0.000 -0.257 0.000) 0.257 10.011 ( 0.000 2.334 0.000) 2.334 10.412 ( 0.000 -4.079 0.000) 4.079 10.458 ( 0.000 1.042 0.000) 1.042 10.534 ( 0.000 1.015 0.000) 1.015 10.582 ( 0.000 2.195 0.000) 2.195 10.832 ( 0.000 -0.939 0.000) 0.939 10.861 ( 0.000 0.191 0.000) 0.191 10.918 ( 0.000 -0.199 0.000) 0.199 10.974 ( 0.000 -3.740 0.000) 3.740 11.118 ( 0.000 -1.788 0.000) 1.788 11.199 ( 0.000 1.696 0.000) 1.696 11.484 ( 0.000 -3.993 0.000) 3.993 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.12 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 21.610 6.672 -3.257) 22.850 0.589 ( 12.001 14.439 4.308) 19.263 1.142 ( 14.324 19.033 8.321) 25.232 1.314 ( 6.385 8.696 -9.018) 14.061 1.504 ( 3.708 -4.725 -5.583) 8.200 1.611 ( -4.494 -3.611 2.554) 6.306 1.696 ( 1.529 0.142 3.556) 3.873 1.775 ( -3.879 -2.033 4.654) 6.390 1.823 ( 1.828 -0.995 1.962) 2.860 1.937 ( 0.137 1.234 4.087) 4.271 1.974 ( 4.533 1.412 -1.734) 5.054 2.189 ( 6.187 1.038 1.808) 6.529 2.408 ( 0.642 -8.242 1.160) 8.348 2.508 ( -6.508 0.314 -8.906) 11.035 2.657 ( -3.243 -7.025 -3.875) 8.654 2.858 ( 1.950 3.760 2.783) 5.068 2.902 ( 0.156 1.874 -5.902) 6.194 2.959 ( -2.887 3.556 2.010) 5.002 3.014 ( -0.818 3.100 -0.099) 3.207 3.079 ( -0.775 3.615 -2.134) 4.269 3.191 ( 2.029 -0.086 1.027) 2.275 3.239 ( -0.887 3.085 0.528) 3.253 3.331 ( -1.660 -2.343 0.825) 2.988 3.382 ( 2.261 -0.676 -0.435) 2.400 3.416 ( -0.612 -0.550 0.411) 0.920 3.513 ( -1.382 -0.208 0.847) 1.634 3.541 ( 0.944 1.381 -2.626) 3.113 3.593 ( 2.263 -2.523 -1.784) 3.830 3.640 ( -0.010 -1.639 -2.165) 2.715 3.707 ( -2.973 4.373 1.088) 5.399 3.765 ( 1.113 1.716 -2.425) 3.172 3.793 ( -0.470 2.801 -2.304) 3.657 3.886 ( 2.816 4.259 -3.299) 6.078 4.005 ( -2.138 2.535 -2.572) 4.196 4.044 ( 1.153 -0.432 1.284) 1.779 4.136 ( 0.710 4.583 3.072) 5.563 4.263 ( 0.639 -0.767 1.707) 1.977 4.349 ( -0.139 -3.757 -1.912) 4.218 4.374 ( -0.947 3.986 3.413) 5.332 4.483 ( -1.116 -2.711 3.527) 4.587 4.541 ( 6.906 -0.337 -5.474) 8.819 4.660 ( 2.614 -2.184 -0.090) 3.407 4.696 ( -2.068 -2.877 -0.014) 3.543 4.786 ( 4.343 -1.642 1.134) 4.779 4.865 ( 0.767 1.996 -1.142) 2.424 4.873 ( 2.396 2.055 2.220) 3.859 4.932 ( 0.630 -4.738 5.228) 7.084 5.033 ( 1.895 -2.549 2.486) 4.033 5.147 ( -1.899 -1.135 -3.507) 4.147 5.269 ( 0.219 6.332 -1.212) 6.451 5.289 ( 1.791 2.853 -1.244) 3.591 5.361 ( -2.347 -0.877 -0.548) 2.565 5.440 ( -0.049 -4.201 -3.178) 5.268 5.513 ( -1.546 -2.463 1.453) 3.251 5.520 ( -0.786 -0.282 2.283) 2.430 5.671 ( 2.054 -3.628 4.891) 6.427 5.791 ( -2.074 -6.365 2.868) 7.283 5.875 ( 0.862 -0.178 -2.926) 3.056 5.943 ( 4.909 -10.144 1.326) 11.348 6.053 ( -0.732 -3.824 1.416) 4.143 6.128 ( -1.710 1.210 -1.298) 2.465 6.167 ( 1.308 1.038 1.445) 2.208 6.313 ( 1.273 -5.724 -0.779) 5.916 6.340 ( -3.485 -3.044 5.093) 6.882 6.555 ( -2.094 2.254 0.376) 3.099 6.600 ( -1.347 4.609 1.313) 4.978 6.635 ( -2.593 3.700 -1.841) 4.879 6.967 ( -11.961 5.839 -4.895) 14.182 7.969 ( -0.156 -3.125 -0.284) 3.142 7.984 ( -0.852 -2.172 -0.493) 2.385 8.820 ( -4.504 11.995 -2.012) 12.970 8.981 ( -13.054 12.832 -2.655) 18.496 10.143 ( 2.630 -2.685 7.729) 8.594 10.315 ( -3.808 0.553 -2.885) 4.809 10.469 ( 0.368 -1.271 0.287) 1.354 10.510 ( -0.895 1.007 -0.220) 1.365 10.599 ( 1.587 0.805 -2.497) 3.066 10.672 ( -11.281 0.402 14.096) 18.059 10.924 ( 0.538 -1.742 0.057) 1.824 10.971 ( -0.013 -2.292 1.840) 2.940 11.108 ( 3.625 -1.192 -2.362) 4.488 11.134 ( 5.357 -2.339 -6.921) 9.059 11.342 ( 15.360 -8.391 -7.112) 18.893 11.555 ( 3.759 -4.572 4.849) 7.651 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.25 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 14.602 3.421 7.635) 16.829 0.919 ( 19.558 3.628 -0.016) 19.892 1.160 ( 6.294 10.576 -12.851) 17.794 1.393 ( -6.333 2.053 -5.377) 8.557 1.508 ( -2.933 -1.732 -3.555) 4.924 1.708 ( 2.990 3.579 1.569) 4.920 1.743 ( 6.657 4.005 10.036) 12.692 1.789 ( 6.350 5.592 5.553) 10.121 1.914 ( -0.080 5.282 -3.168) 6.160 2.013 ( 5.915 -2.229 10.881) 12.584 2.088 ( 2.720 -2.067 0.071) 3.418 2.199 ( -2.789 -2.809 -2.339) 4.598 2.330 ( -2.932 0.707 1.980) 3.608 2.434 ( 3.443 -2.208 -3.076) 5.117 2.663 ( 4.253 -4.256 1.802) 6.281 2.819 ( -1.784 2.399 -6.334) 7.004 2.894 ( -0.032 1.599 -0.363) 1.640 3.009 ( 1.894 1.967 4.376) 5.158 3.035 ( -0.076 -0.732 2.533) 2.637 3.060 ( 2.748 -0.313 -2.056) 3.447 3.120 ( -5.293 1.103 -5.352) 7.608 3.238 ( -0.352 5.770 1.646) 6.010 3.299 ( -0.366 -1.358 1.634) 2.156 3.336 ( -3.047 -0.680 -5.219) 6.082 3.414 ( -3.960 -0.400 2.314) 4.604 3.464 ( -1.913 5.179 -1.896) 5.837 3.587 ( 4.321 -0.912 1.311) 4.607 3.638 ( 1.068 0.580 -2.886) 3.132 3.666 ( 1.675 0.354 -0.261) 1.731 3.700 ( 2.253 0.784 2.392) 3.378 3.746 ( -0.622 0.402 -0.332) 0.811 3.758 ( 1.741 0.332 -1.607) 2.392 3.875 ( 0.934 0.975 -5.720) 5.877 3.951 ( -1.243 0.593 -0.943) 1.669 4.079 ( 1.080 2.595 0.016) 2.811 4.176 ( 1.017 0.617 0.941) 1.516 4.244 ( -2.830 -2.735 -3.461) 5.241 4.336 ( 1.346 -3.871 3.775) 5.572 4.420 ( 0.632 1.625 0.479) 1.808 4.490 ( 0.258 -1.927 -0.857) 2.124 4.613 ( -4.184 1.421 1.409) 4.638 4.647 ( 2.258 -3.992 0.502) 4.614 4.669 ( 1.312 -0.125 -2.313) 2.662 4.865 ( -0.360 2.575 3.264) 4.173 4.884 ( 4.685 2.372 0.303) 5.260 4.935 ( 1.992 1.465 2.025) 3.196 5.034 ( -0.822 0.469 0.274) 0.985 5.072 ( 1.729 -2.668 1.414) 3.479 5.093 ( 1.241 -5.521 3.269) 6.535 5.206 ( -2.960 0.958 -5.039) 5.922 5.308 ( 1.913 1.608 -3.511) 4.310 5.352 ( -1.144 0.674 3.264) 3.523 5.412 ( -0.366 -2.508 0.931) 2.700 5.442 ( 0.044 -4.691 -2.610) 5.368 5.571 ( -1.300 3.658 6.067) 7.202 5.734 ( 1.689 -3.184 0.296) 3.617 5.780 ( -2.174 -4.558 2.793) 5.771 5.852 ( 0.679 -2.005 -2.817) 3.523 6.017 ( -0.901 -1.087 -2.545) 2.910 6.045 ( 3.328 -5.888 0.447) 6.779 6.098 ( -0.007 -5.134 -2.505) 5.713 6.163 ( -1.515 -0.380 -0.378) 1.607 6.291 ( -4.477 -1.392 0.665) 4.736 6.347 ( -1.437 -3.721 4.265) 5.839 6.515 ( -2.912 2.087 -1.181) 3.772 6.565 ( -2.446 1.515 0.352) 2.899 6.581 ( -1.534 4.489 -0.418) 4.762 6.749 ( -8.371 6.370 -1.648) 10.647 7.960 ( -0.255 -3.068 -0.322) 3.095 7.977 ( -0.046 -2.950 0.212) 2.958 8.717 ( -5.200 12.636 0.112) 13.665 8.815 ( -6.399 8.180 -1.162) 10.450 10.219 ( 0.538 -1.681 1.123) 2.092 10.243 ( -1.386 -0.446 -1.292) 1.946 10.463 ( -0.473 -0.456 -0.374) 0.756 10.513 ( 0.722 0.703 0.312) 1.055 10.583 ( 0.376 -0.290 -4.440) 4.465 10.646 ( -4.396 -0.830 8.368) 9.489 10.924 ( -0.473 -1.291 0.021) 1.375 10.992 ( 0.157 -0.375 2.969) 2.996 11.125 ( 1.893 0.855 -1.017) 2.313 11.208 ( 6.093 -3.906 -1.256) 7.346 11.443 ( 6.060 -4.552 -8.240) 11.196 11.661 ( 1.983 -5.163 5.743) 7.974 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.38 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 3.268 4.674 2.372) 6.177 1.152 ( 9.142 10.398 -5.662) 14.958 1.284 ( 12.161 4.541 1.660) 13.087 1.321 ( 4.722 2.334 3.745) 6.463 1.448 ( -0.337 3.820 0.928) 3.946 1.665 ( -4.755 0.776 1.949) 5.197 1.705 ( -2.977 7.771 -10.100) 13.087 1.858 ( -4.026 -1.000 -4.930) 6.443 1.945 ( -6.728 -2.352 -8.584) 11.157 1.978 ( 1.125 -1.904 4.079) 4.640 2.213 ( 6.168 1.136 5.714) 8.484 2.304 ( 4.177 0.258 10.284) 11.103 2.433 ( 4.764 0.428 5.323) 7.157 2.539 ( 8.345 -3.349 -2.236) 9.266 2.679 ( -1.888 -2.786 3.921) 5.167 2.808 ( 4.410 2.717 -0.029) 5.179 2.922 ( 0.610 2.037 0.170) 2.133 2.977 ( 0.699 2.494 -2.444) 3.562 3.020 ( -4.411 -2.129 0.837) 4.969 3.042 ( 0.732 -1.334 -0.547) 1.617 3.132 ( 2.528 1.762 -0.337) 3.100 3.185 ( -4.221 0.231 -5.328) 6.802 3.225 ( -3.284 3.145 -0.984) 4.652 3.352 ( -4.437 0.424 1.267) 4.634 3.402 ( 3.276 3.074 3.550) 5.725 3.429 ( 1.530 4.801 -0.643) 5.080 3.564 ( -2.374 8.529 -4.290) 9.838 3.642 ( 0.582 1.644 0.096) 1.746 3.690 ( 1.015 1.981 0.909) 2.405 3.743 ( 0.615 -1.973 0.379) 2.102 3.801 ( 3.804 0.400 0.514) 3.859 3.823 ( 4.878 -4.605 0.030) 6.709 3.849 ( 0.687 0.592 1.089) 1.418 3.941 ( 0.121 -1.281 -0.207) 1.303 4.065 ( -1.943 2.181 -2.505) 3.848 4.177 ( -1.729 -2.665 -1.386) 3.466 4.188 ( -0.259 1.709 0.073) 1.730 4.374 ( 0.043 -6.507 -0.721) 6.547 4.433 ( 0.402 -2.783 2.417) 3.708 4.440 ( -2.209 -0.763 -2.774) 3.627 4.553 ( -1.772 -1.165 -1.429) 2.557 4.620 ( -0.796 1.662 0.240) 1.858 4.726 ( 2.444 -5.027 -1.246) 5.727 4.874 ( -3.135 3.208 1.680) 4.790 4.920 ( -1.529 1.953 1.630) 2.968 4.949 ( -0.804 -0.304 -4.558) 4.638 4.998 ( 1.283 -0.497 1.468) 2.012 5.079 ( -1.557 -1.497 0.357) 2.189 5.151 ( 0.793 -1.721 -0.469) 1.952 5.208 ( 3.740 -5.858 3.858) 7.949 5.313 ( 1.334 3.052 -0.802) 3.426 5.354 ( -0.360 -2.060 2.916) 3.589 5.432 ( 2.116 0.291 -0.034) 2.136 5.470 ( 0.223 0.502 1.342) 1.450 5.622 ( 2.550 0.209 3.145) 4.054 5.730 ( -0.740 -2.207 -0.399) 2.362 5.779 ( -0.448 -3.433 1.094) 3.631 5.866 ( 1.704 -1.574 0.831) 2.464 5.969 ( -0.450 -2.666 -2.574) 3.733 6.046 ( -3.617 -5.408 -2.022) 6.813 6.068 ( 0.453 -2.687 -3.568) 4.489 6.157 ( 0.476 -3.187 -0.004) 3.222 6.187 ( -4.930 -0.843 -2.007) 5.389 6.342 ( -2.475 2.201 2.067) 3.905 6.455 ( -1.453 -0.796 -0.775) 1.829 6.535 ( -1.392 3.346 -1.416) 3.891 6.571 ( 0.175 2.144 1.623) 2.695 6.644 ( -3.991 5.191 1.076) 6.635 7.957 ( 0.016 -3.838 0.029) 3.838 7.979 ( -0.075 -2.339 0.179) 2.347 8.647 ( -2.969 10.757 0.477) 11.170 8.712 ( -3.939 7.444 -1.063) 8.489 10.176 ( -0.705 -0.717 -3.298) 3.448 10.261 ( 0.393 -1.818 1.151) 2.187 10.462 ( 0.353 -0.127 0.598) 0.706 10.525 ( 0.209 0.433 -0.075) 0.487 10.537 ( -0.737 -0.605 -3.364) 3.496 10.661 ( -1.438 -0.044 4.469) 4.695 10.918 ( -0.372 1.600 0.449) 1.703 11.030 ( 0.752 -2.781 2.492) 3.810 11.148 ( 1.463 -0.544 -0.734) 1.725 11.305 ( 4.648 -2.531 1.173) 5.421 11.434 ( 1.498 -1.901 -6.243) 6.696 11.727 ( 0.108 -5.591 3.876) 6.804 ======================= Grid point 13 (10/72) ======================= q-point: (-0.50 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 6.783 0.000) 6.783 1.169 ( 0.000 14.951 0.000) 14.951 1.422 ( 0.000 0.564 0.000) 0.564 1.491 ( 0.000 14.186 0.000) 14.186 1.497 ( -0.000 -4.322 -0.000) 4.322 1.613 ( 0.000 4.368 -0.000) 4.368 1.651 ( 0.000 -0.036 0.000) 0.036 1.717 ( -0.000 -1.022 -0.000) 1.022 1.760 ( 0.000 -1.144 0.000) 1.144 2.027 ( 0.000 -2.430 0.000) 2.430 2.305 ( 0.000 2.675 0.000) 2.675 2.436 ( -0.000 3.068 -0.000) 3.068 2.450 ( 0.000 -3.147 0.000) 3.147 2.538 ( 0.000 -5.818 0.000) 5.818 2.802 ( 0.000 -11.930 0.000) 11.930 2.890 ( 0.000 -0.411 -0.000) 0.411 2.928 ( 0.000 7.088 0.000) 7.088 2.939 ( 0.000 2.823 0.000) 2.823 2.986 ( 0.000 0.930 0.000) 0.930 3.014 ( -0.000 -1.812 -0.000) 1.812 3.097 ( 0.000 1.218 0.000) 1.218 3.185 ( 0.000 4.215 0.000) 4.215 3.188 ( -0.000 4.011 -0.000) 4.011 3.306 ( 0.000 1.326 0.000) 1.326 3.407 ( 0.000 7.120 0.000) 7.120 3.472 ( 0.000 5.746 0.000) 5.746 3.545 ( 0.000 7.310 -0.000) 7.310 3.635 ( 0.000 1.205 -0.000) 1.205 3.711 ( 0.000 2.311 -0.000) 2.311 3.735 ( 0.000 -1.829 0.000) 1.829 3.842 ( 0.000 -0.716 0.000) 0.716 3.863 ( -0.000 -2.722 0.000) 2.722 3.898 ( 0.000 -0.962 -0.000) 0.962 3.965 ( 0.000 -4.577 0.000) 4.577 3.978 ( -0.000 2.901 -0.000) 2.901 4.160 ( 0.000 -0.621 0.000) 0.621 4.179 ( 0.000 3.610 -0.000) 3.610 4.375 ( 0.000 -6.105 -0.000) 6.105 4.384 ( -0.000 -2.588 0.000) 2.588 4.483 ( 0.000 -2.379 -0.000) 2.379 4.530 ( 0.000 -3.310 0.000) 3.310 4.620 ( 0.000 1.450 0.000) 1.450 4.718 ( -0.000 -4.135 0.000) 4.135 4.856 ( 0.000 -3.315 -0.000) 3.315 4.869 ( -0.000 2.113 0.000) 2.113 4.932 ( 0.000 -0.280 -0.000) 0.280 5.013 ( 0.000 0.195 0.000) 0.195 5.117 ( 0.000 -0.179 0.000) 0.179 5.124 ( -0.000 -4.494 -0.000) 4.494 5.266 ( 0.000 -5.810 0.000) 5.810 5.314 ( 0.000 3.608 -0.000) 3.608 5.396 ( 0.000 2.665 -0.000) 2.665 5.457 ( 0.000 -0.649 -0.000) 0.649 5.462 ( -0.000 0.876 0.000) 0.876 5.660 ( 0.000 0.177 0.000) 0.177 5.745 ( -0.000 -5.852 0.000) 5.852 5.777 ( 0.000 -1.459 0.000) 1.459 5.899 ( 0.000 -2.747 0.000) 2.747 5.967 ( 0.000 -1.263 -0.000) 1.263 5.970 ( -0.000 -5.616 0.000) 5.616 6.036 ( -0.000 -1.337 -0.000) 1.337 6.108 ( 0.000 -0.301 -0.000) 0.301 6.180 ( 0.000 -4.765 0.000) 4.765 6.324 ( -0.000 4.785 0.000) 4.785 6.444 ( 0.000 -1.516 0.000) 1.516 6.512 ( 0.000 2.176 0.000) 2.176 6.593 ( 0.000 2.934 0.000) 2.934 6.608 ( 0.000 4.738 0.000) 4.738 7.958 ( 0.000 -4.118 0.000) 4.118 7.979 ( 0.000 -2.069 0.000) 2.069 8.623 ( 0.000 10.111 0.000) 10.111 8.670 ( 0.000 7.347 0.000) 7.347 10.153 ( 0.000 -0.663 0.000) 0.663 10.270 ( 0.000 -2.222 0.000) 2.222 10.486 ( -0.000 0.308 -0.000) 0.308 10.490 ( 0.000 -1.121 0.000) 1.121 10.532 ( 0.000 0.643 0.000) 0.643 10.671 ( 0.000 0.382 0.000) 0.382 10.918 ( 0.000 2.529 0.000) 2.529 11.051 ( 0.000 -4.034 0.000) 4.034 11.158 ( 0.000 -0.780 0.000) 0.780 11.383 ( -0.000 0.214 -0.000) 0.214 11.386 ( 0.000 -3.521 0.000) 3.521 11.745 ( 0.000 -5.558 0.000) 5.558 ======================= Grid point 18 (11/72) ======================= q-point: ( 0.00 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 0.000 13.560 0.000) 13.560 0.941 ( 0.000 19.788 0.000) 19.788 1.297 ( 0.000 -6.900 0.000) 6.900 1.363 ( 0.000 1.328 0.000) 1.328 1.452 ( 0.000 0.389 0.000) 0.389 1.565 ( 0.000 -5.886 0.000) 5.886 1.662 ( 0.000 4.170 0.000) 4.170 1.696 ( 0.000 12.913 0.000) 12.913 1.850 ( 0.000 0.123 0.000) 0.123 1.912 ( 0.000 0.618 0.000) 0.618 2.098 ( 0.000 3.918 0.000) 3.918 2.133 ( 0.000 3.993 0.000) 3.993 2.142 ( 0.000 -8.829 0.000) 8.829 2.564 ( 0.000 -3.064 0.000) 3.064 2.733 ( 0.000 -0.041 0.000) 0.041 2.878 ( 0.000 -0.695 0.000) 0.695 2.939 ( 0.000 -3.254 0.000) 3.254 2.976 ( 0.000 3.086 0.000) 3.086 3.127 ( 0.000 0.353 0.000) 0.353 3.141 ( 0.000 -3.646 0.000) 3.646 3.149 ( 0.000 -2.614 0.000) 2.614 3.283 ( 0.000 2.393 0.000) 2.393 3.287 ( 0.000 8.652 0.000) 8.652 3.337 ( 0.000 -2.897 0.000) 2.897 3.435 ( 0.000 1.314 0.000) 1.314 3.500 ( 0.000 -1.331 0.000) 1.331 3.581 ( 0.000 3.969 0.000) 3.969 3.626 ( 0.000 -0.830 0.000) 0.830 3.765 ( 0.000 2.312 0.000) 2.312 3.767 ( 0.000 -0.414 0.000) 0.414 3.779 ( 0.000 8.113 0.000) 8.113 3.830 ( 0.000 5.042 0.000) 5.042 4.008 ( 0.000 6.803 0.000) 6.803 4.090 ( 0.000 2.790 0.000) 2.790 4.209 ( 0.000 1.574 0.000) 1.574 4.227 ( 0.000 10.646 0.000) 10.646 4.260 ( 0.000 2.105 0.000) 2.105 4.324 ( 0.000 0.133 0.000) 0.133 4.379 ( 0.000 -3.445 0.000) 3.445 4.398 ( 0.000 -1.698 0.000) 1.698 4.482 ( 0.000 3.379 0.000) 3.379 4.527 ( 0.000 -4.398 0.000) 4.398 4.619 ( 0.000 -3.640 0.000) 3.640 4.725 ( 0.000 -2.409 0.000) 2.409 4.730 ( 0.000 -7.282 0.000) 7.282 4.873 ( 0.000 0.438 0.000) 0.438 4.916 ( 0.000 -7.141 0.000) 7.141 5.005 ( 0.000 8.008 0.000) 8.008 5.126 ( 0.000 -5.800 0.000) 5.800 5.244 ( 0.000 -4.099 0.000) 4.099 5.335 ( 0.000 0.688 0.000) 0.688 5.342 ( 0.000 -4.744 0.000) 4.744 5.395 ( 0.000 5.115 0.000) 5.115 5.462 ( 0.000 -2.854 0.000) 2.854 5.584 ( 0.000 0.571 0.000) 0.571 5.609 ( 0.000 1.276 0.000) 1.276 5.688 ( 0.000 -9.113 0.000) 9.113 5.692 ( 0.000 -3.798 0.000) 3.798 5.892 ( 0.000 -6.770 0.000) 6.770 5.913 ( 0.000 2.809 0.000) 2.809 6.186 ( 0.000 -5.684 0.000) 5.684 6.193 ( 0.000 1.254 0.000) 1.254 6.211 ( 0.000 0.191 0.000) 0.191 6.259 ( 0.000 -3.353 0.000) 3.353 6.647 ( 0.000 3.357 0.000) 3.357 6.691 ( 0.000 3.348 0.000) 3.348 6.763 ( 0.000 5.301 0.000) 5.301 7.085 ( 0.000 -3.749 0.000) 3.749 7.906 ( 0.000 -1.325 0.000) 1.325 7.982 ( 0.000 -1.420 0.000) 1.420 9.057 ( 0.000 7.877 0.000) 7.877 9.273 ( 0.000 -0.778 0.000) 0.778 10.081 ( 0.000 4.259 0.000) 4.259 10.332 ( 0.000 -3.633 0.000) 3.633 10.488 ( 0.000 1.715 0.000) 1.715 10.566 ( 0.000 2.186 0.000) 2.186 10.596 ( 0.000 -0.854 0.000) 0.854 10.807 ( 0.000 -2.119 0.000) 2.119 10.865 ( 0.000 0.133 0.000) 0.133 10.872 ( 0.000 -2.570 0.000) 2.570 10.953 ( 0.000 1.124 0.000) 1.124 11.074 ( 0.000 -2.282 0.000) 2.282 11.221 ( 0.000 0.563 0.000) 0.563 11.383 ( 0.000 -5.302 0.000) 5.302 ======================= Grid point 19 (12/72) ======================= q-point: ( 0.12 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 18.698 9.010 -3.898) 21.118 0.971 ( 3.587 19.061 0.527) 19.403 1.317 ( 5.691 4.639 -6.151) 9.578 1.360 ( 1.945 -7.584 0.664) 7.858 1.515 ( 1.097 -3.800 -1.874) 4.376 1.591 ( 2.305 -2.735 4.774) 5.965 1.749 ( 4.147 1.241 10.635) 11.483 1.785 ( 7.105 13.228 6.554) 16.383 1.888 ( 0.123 5.133 -4.364) 6.739 1.934 ( 2.063 1.545 5.236) 5.836 2.006 ( 1.424 1.439 -4.881) 5.284 2.184 ( 4.035 -4.137 0.229) 5.783 2.240 ( 1.513 -3.841 3.930) 5.699 2.490 ( -1.847 -2.036 -9.042) 9.451 2.598 ( -5.545 1.899 -1.252) 5.993 2.901 ( 0.509 -0.277 0.653) 0.873 2.960 ( -1.623 3.845 0.746) 4.240 3.025 ( -0.268 0.026 5.521) 5.528 3.068 ( 0.441 -0.421 -4.561) 4.602 3.108 ( -1.129 2.367 -2.541) 3.652 3.217 ( -2.092 -3.497 1.400) 4.309 3.259 ( 1.954 1.308 1.973) 3.070 3.278 ( 2.690 0.569 -2.460) 3.690 3.386 ( 1.954 -0.679 -2.962) 3.613 3.411 ( -2.557 2.342 -0.847) 3.570 3.473 ( -0.931 -1.966 0.510) 2.234 3.564 ( -2.090 1.961 -2.051) 3.524 3.601 ( 1.289 2.588 0.756) 2.989 3.702 ( -1.616 3.938 -3.050) 5.236 3.754 ( -2.685 1.878 1.229) 3.500 3.796 ( 1.064 2.409 0.072) 2.635 3.901 ( 1.658 5.125 0.535) 5.414 3.974 ( -2.920 4.673 -2.362) 5.995 4.053 ( -1.551 2.965 -0.523) 3.387 4.076 ( -3.836 2.248 -5.101) 6.767 4.204 ( -0.875 2.136 -1.596) 2.807 4.285 ( -0.265 2.421 -0.303) 2.454 4.314 ( -1.287 0.607 -0.639) 1.560 4.424 ( 0.844 -3.420 1.193) 3.719 4.445 ( 4.080 1.738 -0.032) 4.435 4.537 ( 2.602 2.289 2.267) 4.141 4.603 ( 3.459 -4.896 2.412) 6.462 4.627 ( 2.057 -1.650 1.065) 2.844 4.721 ( 2.584 -5.838 -0.854) 6.441 4.795 ( 0.409 -5.176 8.108) 9.628 4.871 ( -0.020 -0.528 3.501) 3.540 4.973 ( 3.421 -3.326 1.693) 5.063 4.991 ( -0.618 4.359 0.153) 4.405 5.100 ( -0.999 -3.642 -3.060) 4.860 5.258 ( 0.348 -5.387 -2.620) 6.000 5.296 ( 0.206 -1.975 -1.138) 2.289 5.386 ( -0.488 2.246 0.981) 2.499 5.410 ( -2.982 -1.747 -1.293) 3.690 5.441 ( 0.732 2.634 0.040) 2.734 5.504 ( 1.157 -2.999 -1.582) 3.583 5.665 ( -1.201 -1.622 1.341) 2.423 5.699 ( -0.224 -0.112 8.486) 8.490 5.747 ( 5.032 -6.714 -1.810) 8.583 5.878 ( -0.100 -3.121 -0.428) 3.152 5.934 ( 0.077 -2.764 2.744) 3.895 6.124 ( -0.922 -2.737 -8.177) 8.672 6.204 ( -0.204 -4.054 0.849) 4.147 6.215 ( 0.087 1.709 0.373) 1.752 6.274 ( -1.954 -2.772 5.646) 6.586 6.618 ( -2.356 3.501 -0.410) 4.240 6.675 ( -2.139 2.220 -1.063) 3.261 6.732 ( -2.887 5.438 0.066) 6.157 6.995 ( -7.281 -1.507 -3.185) 8.089 7.914 ( 0.467 -1.265 0.622) 1.485 7.960 ( -1.457 -0.904 -1.046) 2.008 9.023 ( -3.370 7.888 -0.507) 8.593 9.157 ( -8.799 4.224 -2.849) 10.168 10.134 ( 2.155 1.664 4.385) 5.162 10.302 ( -2.202 -1.691 -2.235) 3.564 10.463 ( -1.243 0.939 -0.152) 1.565 10.532 ( -0.916 0.934 -0.769) 1.517 10.602 ( -0.088 -0.569 -1.213) 1.343 10.662 ( -9.668 -1.366 6.029) 11.476 10.891 ( 1.920 -0.394 -0.484) 2.019 10.968 ( 1.862 1.512 0.664) 2.489 11.023 ( 10.010 -3.362 -6.419) 12.358 11.144 ( 3.670 -0.701 -0.485) 3.768 11.232 ( 3.993 -2.762 0.889) 4.936 11.435 ( 3.010 -6.417 3.385) 7.855 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.25 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 17.819 5.932 -2.532) 18.951 1.087 ( 8.114 13.081 2.438) 15.585 1.380 ( 1.177 2.137 0.599) 2.512 1.430 ( 9.531 6.353 -2.364) 11.696 1.503 ( -0.850 2.040 0.862) 2.372 1.711 ( 7.695 -4.276 2.372) 9.117 1.777 ( -3.581 5.991 -4.208) 8.150 1.887 ( -2.425 -0.479 -2.910) 3.818 1.976 ( 7.001 -0.488 9.685) 11.960 2.000 ( 1.537 -4.130 -6.301) 7.689 2.110 ( 5.719 6.585 6.259) 10.735 2.162 ( 1.655 -0.315 -2.303) 2.853 2.318 ( 0.976 0.409 5.817) 5.913 2.415 ( 2.841 0.050 -3.595) 4.582 2.648 ( 5.102 2.641 6.091) 8.373 2.872 ( -2.322 0.546 -2.534) 3.480 2.925 ( -0.307 3.364 -2.625) 4.278 3.011 ( 0.239 -0.269 -1.336) 1.383 3.020 ( -2.348 -1.409 -3.206) 4.216 3.132 ( -3.982 0.112 -2.673) 4.797 3.153 ( 2.155 7.253 5.304) 9.240 3.272 ( -1.400 -0.468 -1.018) 1.793 3.280 ( -3.608 -2.734 -3.167) 5.524 3.380 ( 2.551 4.164 1.662) 5.158 3.408 ( -0.755 0.892 2.815) 3.048 3.495 ( 2.953 -4.791 3.260) 6.504 3.570 ( 3.004 -1.321 -0.594) 3.335 3.637 ( 0.012 1.250 0.161) 1.260 3.656 ( 1.214 4.740 -2.058) 5.308 3.726 ( -1.724 0.306 2.042) 2.690 3.804 ( -1.364 2.672 1.297) 3.268 3.861 ( 0.803 5.936 -3.355) 6.866 3.915 ( -1.028 3.278 -5.129) 6.173 3.958 ( -4.197 1.978 -2.507) 5.274 4.093 ( 1.326 0.277 2.634) 2.962 4.165 ( -0.812 -0.615 -2.691) 2.877 4.266 ( -2.017 2.595 -1.348) 3.552 4.280 ( -0.671 0.474 0.610) 1.023 4.418 ( -0.741 -4.697 -2.108) 5.201 4.499 ( 1.151 4.000 -0.371) 4.179 4.581 ( -3.357 -4.225 -0.171) 5.399 4.588 ( 2.193 -1.616 1.052) 2.920 4.672 ( -0.032 -0.500 -1.687) 1.760 4.803 ( 0.963 -5.930 4.979) 7.803 4.883 ( 2.536 -8.530 3.112) 9.428 4.947 ( 3.369 1.206 2.101) 4.149 4.996 ( -1.027 -0.096 5.678) 5.771 5.043 ( 0.771 -0.711 -0.265) 1.082 5.052 ( 0.458 -1.039 -0.554) 1.263 5.203 ( -2.415 -7.534 -1.838) 8.123 5.259 ( -2.863 3.982 -6.773) 8.362 5.342 ( -0.428 -2.692 -1.735) 3.231 5.376 ( 4.025 1.532 -1.680) 4.623 5.454 ( 0.612 2.296 1.884) 3.033 5.588 ( 2.119 -1.127 3.888) 4.569 5.656 ( -0.745 -4.616 1.550) 4.925 5.742 ( -0.493 0.375 2.199) 2.284 5.820 ( 1.191 -0.290 2.572) 2.849 5.899 ( 2.745 -5.015 -0.458) 5.735 5.959 ( -0.037 -5.253 1.994) 5.619 6.015 ( -0.997 -3.097 -9.330) 9.881 6.169 ( -2.564 -0.394 -0.654) 2.675 6.250 ( -0.857 -3.757 3.445) 5.169 6.280 ( -1.210 -0.117 2.216) 2.527 6.575 ( -2.965 2.935 -0.150) 4.175 6.592 ( -3.395 1.424 -1.219) 3.878 6.681 ( -3.072 4.371 -0.343) 5.353 6.828 ( -7.950 1.251 -0.941) 8.102 7.924 ( -0.574 -0.666 -0.623) 1.078 7.932 ( 0.033 -1.181 0.282) 1.215 8.939 ( -5.328 8.063 -0.254) 9.668 8.985 ( -7.512 6.787 -1.582) 10.246 10.196 ( 0.622 -0.279 1.600) 1.739 10.236 ( -2.079 -0.236 -1.791) 2.755 10.454 ( -0.111 -0.215 -0.301) 0.386 10.530 ( 0.759 0.732 0.011) 1.055 10.563 ( -2.283 -1.590 -1.567) 3.192 10.610 ( -2.034 -2.267 3.800) 4.870 10.914 ( 1.685 0.758 -0.845) 2.032 11.013 ( 1.502 2.522 1.848) 3.469 11.107 ( 3.931 -2.946 -2.581) 5.550 11.175 ( 3.171 1.497 0.098) 3.508 11.334 ( 5.425 -5.686 -1.986) 8.106 11.520 ( 2.266 -7.885 3.490) 8.916 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.38 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 9.648 6.332 0.604) 11.556 1.286 ( 9.788 4.142 3.109) 11.074 1.397 ( 2.425 6.225 -0.055) 6.681 1.508 ( -0.228 6.216 1.311) 6.357 1.618 ( 8.858 12.571 4.533) 16.033 1.687 ( -4.831 5.130 -0.251) 7.051 1.760 ( -2.194 -1.814 -7.137) 7.684 1.809 ( -2.819 -3.757 -7.499) 8.848 1.924 ( 5.149 -2.352 -0.079) 5.661 2.033 ( -2.872 8.620 -9.895) 13.433 2.210 ( 4.651 -0.151 8.360) 9.568 2.358 ( 4.161 3.580 4.133) 6.871 2.389 ( 7.111 -6.588 7.504) 12.259 2.435 ( -0.683 -1.936 -2.131) 2.959 2.695 ( -2.891 4.164 -3.225) 6.008 2.880 ( 3.605 1.474 3.370) 5.150 2.944 ( -4.435 -2.982 -0.030) 5.344 2.962 ( -1.183 -0.265 1.417) 1.865 3.013 ( 5.044 0.973 -0.630) 5.176 3.049 ( -2.319 1.507 -2.486) 3.719 3.159 ( -2.033 1.461 -1.950) 3.173 3.205 ( -0.166 -1.491 -1.710) 2.275 3.295 ( 2.086 5.704 0.834) 6.131 3.360 ( -3.797 1.106 2.068) 4.463 3.485 ( 3.045 4.994 5.113) 7.769 3.571 ( -2.153 3.803 -1.196) 4.531 3.592 ( 1.191 -2.217 1.438) 2.899 3.640 ( 2.100 -5.353 1.960) 6.075 3.707 ( 4.360 1.453 0.191) 4.600 3.765 ( 4.240 1.809 0.923) 4.701 3.815 ( -1.048 -3.103 2.796) 4.306 3.847 ( -0.632 2.272 -2.520) 3.451 3.858 ( 0.617 8.264 -3.370) 8.946 3.897 ( 0.005 2.553 0.627) 2.629 4.082 ( -3.350 -0.075 0.206) 3.357 4.172 ( 1.717 2.603 -0.024) 3.118 4.238 ( 0.620 0.671 -0.465) 1.025 4.259 ( -2.134 -2.602 -0.731) 3.444 4.374 ( -1.175 -2.080 -1.499) 2.821 4.466 ( -3.419 0.841 -2.672) 4.421 4.521 ( -2.318 -1.880 0.091) 2.986 4.624 ( 0.802 -2.919 0.067) 3.027 4.636 ( -0.212 -1.678 -3.588) 3.966 4.807 ( -2.862 -8.072 -0.476) 8.578 4.881 ( -3.250 -4.267 3.703) 6.518 4.972 ( -0.773 0.296 -0.952) 1.261 5.001 ( -2.589 -0.067 -0.868) 2.731 5.070 ( 2.411 -5.398 -0.423) 5.927 5.093 ( 1.174 3.281 2.078) 4.058 5.156 ( 0.600 -5.822 -1.548) 6.054 5.185 ( -0.226 -1.508 -2.344) 2.797 5.372 ( 2.621 -0.549 4.044) 4.850 5.459 ( 3.820 2.541 0.321) 4.599 5.509 ( 4.497 -1.356 0.719) 4.751 5.618 ( -1.068 1.717 2.524) 3.234 5.671 ( 0.264 -6.166 1.206) 6.288 5.741 ( -1.054 2.576 -0.939) 2.938 5.834 ( -2.071 -2.755 -1.956) 3.963 5.869 ( -1.042 -3.055 0.295) 3.241 5.962 ( 0.392 -3.378 -1.755) 3.827 5.999 ( 3.438 -3.996 -1.792) 5.568 6.117 ( -2.756 -1.050 0.228) 2.958 6.180 ( -4.973 0.469 -2.737) 5.696 6.317 ( 1.044 -2.489 2.445) 3.642 6.505 ( -2.866 3.388 0.536) 4.469 6.584 ( -1.023 0.916 0.098) 1.377 6.623 ( -1.059 3.073 0.017) 3.251 6.723 ( -4.573 2.027 1.317) 5.173 7.908 ( -0.252 -0.870 -0.566) 1.069 7.940 ( 0.101 -1.258 0.379) 1.317 8.854 ( -3.757 7.965 0.132) 8.807 8.870 ( -4.278 6.783 -0.754) 8.055 10.169 ( -0.919 0.184 -2.533) 2.701 10.224 ( -0.314 -1.483 0.625) 1.640 10.453 ( 0.340 -0.546 0.010) 0.644 10.513 ( -1.580 -1.366 -1.575) 2.616 10.543 ( 0.475 0.778 0.129) 0.921 10.635 ( 0.175 -2.433 3.077) 3.926 10.937 ( 1.350 0.909 -0.160) 1.636 11.046 ( 0.626 4.273 0.873) 4.406 11.129 ( 1.037 -1.564 -0.572) 1.962 11.251 ( 3.741 -1.886 1.182) 4.353 11.371 ( 1.937 -3.926 -3.145) 5.390 11.575 ( 0.751 -8.525 2.394) 8.886 ======================= Grid point 22 (15/72) ======================= q-point: (-0.50 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.000 8.582 0.000) 8.582 1.421 ( -0.000 -0.661 -0.000) 0.661 1.466 ( 0.000 5.169 0.000) 5.169 1.487 ( -0.000 8.963 -0.000) 8.963 1.625 ( -0.000 3.335 0.000) 3.335 1.649 ( 0.000 -3.060 0.000) 3.060 1.747 ( 0.000 0.958 0.000) 0.958 1.808 ( 0.000 10.543 0.000) 10.543 1.866 ( -0.000 16.072 -0.000) 16.072 1.990 ( 0.000 -1.238 -0.000) 1.238 2.307 ( 0.000 -1.001 0.000) 1.001 2.388 ( 0.000 -4.852 0.000) 4.852 2.421 ( 0.000 -1.694 -0.000) 1.694 2.572 ( 0.000 5.071 0.000) 5.071 2.606 ( 0.000 -3.445 -0.000) 3.445 2.856 ( -0.000 -2.033 -0.000) 2.033 2.937 ( 0.000 -2.781 0.000) 2.781 2.972 ( 0.000 -1.959 0.000) 1.959 3.004 ( 0.000 2.250 0.000) 2.250 3.049 ( 0.000 1.382 -0.000) 1.382 3.140 ( 0.000 1.858 0.000) 1.858 3.222 ( 0.000 -0.557 0.000) 0.557 3.313 ( 0.000 6.207 0.000) 6.207 3.335 ( 0.000 1.553 0.000) 1.553 3.538 ( 0.000 5.123 0.000) 5.123 3.554 ( 0.000 2.105 0.000) 2.105 3.617 ( 0.000 -1.125 -0.000) 1.125 3.662 ( 0.000 -1.934 0.000) 1.934 3.763 ( 0.000 -5.127 0.000) 5.127 3.775 ( -0.000 5.096 -0.000) 5.096 3.797 ( 0.000 0.830 0.000) 0.830 3.838 ( 0.000 6.855 0.000) 6.855 3.879 ( 0.000 -1.965 0.000) 1.965 3.945 ( 0.000 6.017 0.000) 6.017 4.030 ( -0.000 2.171 0.000) 2.171 4.186 ( 0.000 2.937 0.000) 2.937 4.220 ( 0.000 -2.543 0.000) 2.543 4.269 ( 0.000 -2.679 0.000) 2.679 4.341 ( -0.000 0.173 -0.000) 0.173 4.418 ( -0.000 -3.979 0.000) 3.979 4.490 ( 0.000 -0.320 0.000) 0.320 4.620 ( 0.000 -4.981 -0.000) 4.981 4.622 ( -0.000 -0.847 0.000) 0.847 4.761 ( 0.000 -5.589 0.000) 5.589 4.896 ( 0.000 -2.771 0.000) 2.771 4.915 ( -0.000 2.250 -0.000) 2.250 4.979 ( 0.000 -5.177 0.000) 5.177 5.079 ( 0.000 -3.812 0.000) 3.812 5.115 ( 0.000 5.613 0.000) 5.613 5.171 ( 0.000 -10.586 0.000) 10.586 5.174 ( 0.000 -1.494 -0.000) 1.494 5.447 ( 0.000 0.319 -0.000) 0.319 5.481 ( 0.000 0.497 0.000) 0.497 5.580 ( -0.000 -6.958 0.000) 6.958 5.622 ( 0.000 10.973 0.000) 10.973 5.668 ( 0.000 -7.060 0.000) 7.060 5.735 ( 0.000 -1.006 0.000) 1.006 5.743 ( -0.000 -3.453 -0.000) 3.453 5.925 ( 0.000 -3.975 0.000) 3.975 5.934 ( 0.000 0.017 -0.000) 0.017 6.020 ( -0.000 -2.206 0.000) 2.206 6.088 ( 0.000 -2.030 -0.000) 2.030 6.109 ( 0.000 0.722 0.000) 0.722 6.341 ( 0.000 -2.685 0.000) 2.685 6.485 ( -0.000 4.443 0.000) 4.443 6.552 ( 0.000 1.580 -0.000) 1.580 6.646 ( 0.000 1.935 0.000) 1.935 6.680 ( 0.000 1.831 0.000) 1.831 7.903 ( 0.000 -1.056 0.000) 1.056 7.943 ( 0.000 -1.291 0.000) 1.291 8.821 ( 0.000 7.781 -0.000) 7.781 8.827 ( 0.000 6.779 0.000) 6.779 10.147 ( 0.000 0.270 0.000) 0.270 10.223 ( 0.000 -1.966 0.000) 1.966 10.462 ( -0.000 -1.321 -0.000) 1.321 10.485 ( 0.000 -0.551 0.000) 0.551 10.548 ( 0.000 0.911 0.000) 0.911 10.654 ( 0.000 -2.251 0.000) 2.251 10.950 ( 0.000 0.846 0.000) 0.846 11.055 ( 0.000 4.884 0.000) 4.884 11.136 ( 0.000 -1.472 0.000) 1.472 11.301 ( -0.000 -4.045 -0.000) 4.045 11.362 ( 0.000 -2.029 0.000) 2.029 11.593 ( 0.000 -8.605 -0.000) 8.605 ======================= Grid point 27 (16/72) ======================= q-point: ( 0.00 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.000 15.223 0.000) 15.223 1.076 ( 0.000 -13.805 0.000) 13.805 1.259 ( 0.000 8.444 0.000) 8.444 1.345 ( 0.000 -3.815 0.000) 3.815 1.447 ( 0.000 6.057 0.000) 6.057 1.551 ( 0.000 6.995 0.000) 6.995 1.602 ( 0.000 -6.955 0.000) 6.955 1.754 ( 0.000 -7.379 0.000) 7.379 1.890 ( 0.000 -2.339 0.000) 2.339 1.895 ( 0.000 -1.327 0.000) 1.327 2.177 ( 0.000 2.755 0.000) 2.755 2.198 ( 0.000 1.179 0.000) 1.179 2.271 ( 0.000 17.339 0.000) 17.339 2.496 ( 0.000 -4.460 0.000) 4.460 2.734 ( 0.000 0.225 0.000) 0.225 2.798 ( 0.000 -5.737 0.000) 5.737 2.928 ( 0.000 3.391 0.000) 3.391 3.014 ( 0.000 1.032 0.000) 1.032 3.041 ( 0.000 -6.473 0.000) 6.473 3.063 ( 0.000 -4.121 0.000) 4.121 3.163 ( 0.000 4.092 0.000) 4.092 3.254 ( 0.000 -4.279 0.000) 4.279 3.370 ( 0.000 3.385 0.000) 3.385 3.391 ( 0.000 1.406 0.000) 1.406 3.486 ( 0.000 2.745 0.000) 2.745 3.497 ( 0.000 0.744 0.000) 0.744 3.629 ( 0.000 0.336 0.000) 0.336 3.636 ( 0.000 -0.021 0.000) 0.021 3.758 ( 0.000 0.249 0.000) 0.249 3.765 ( 0.000 -0.062 0.000) 0.062 3.988 ( 0.000 9.403 0.000) 9.403 4.022 ( 0.000 10.402 0.000) 10.402 4.091 ( 0.000 0.753 0.000) 0.753 4.153 ( 0.000 -5.232 0.000) 5.232 4.160 ( 0.000 6.138 0.000) 6.138 4.311 ( 0.000 -0.865 0.000) 0.865 4.321 ( 0.000 -0.405 0.000) 0.405 4.357 ( 0.000 -0.087 0.000) 0.087 4.397 ( 0.000 3.245 0.000) 3.245 4.420 ( 0.000 -3.949 0.000) 3.949 4.463 ( 0.000 10.110 0.000) 10.110 4.491 ( 0.000 -4.698 0.000) 4.698 4.519 ( 0.000 -6.597 0.000) 6.597 4.663 ( 0.000 1.247 0.000) 1.247 4.673 ( 0.000 -0.790 0.000) 0.790 4.706 ( 0.000 -11.426 0.000) 11.426 4.886 ( 0.000 1.344 0.000) 1.344 4.964 ( 0.000 -6.571 0.000) 6.571 5.174 ( 0.000 7.425 0.000) 7.425 5.244 ( 0.000 2.488 0.000) 2.488 5.279 ( 0.000 0.013 0.000) 0.013 5.344 ( 0.000 0.855 0.000) 0.855 5.406 ( 0.000 -3.954 0.000) 3.954 5.427 ( 0.000 -10.491 0.000) 10.491 5.496 ( 0.000 4.121 0.000) 4.121 5.570 ( 0.000 -3.601 0.000) 3.601 5.630 ( 0.000 0.266 0.000) 0.266 5.654 ( 0.000 -1.454 0.000) 1.454 5.842 ( 0.000 2.852 0.000) 2.852 5.937 ( 0.000 -3.176 0.000) 3.176 6.092 ( 0.000 0.343 0.000) 0.343 6.157 ( 0.000 -3.952 0.000) 3.952 6.225 ( 0.000 0.905 0.000) 0.905 6.235 ( 0.000 -0.240 0.000) 0.240 6.705 ( 0.000 2.004 0.000) 2.004 6.724 ( 0.000 0.176 0.000) 0.176 6.883 ( 0.000 5.776 0.000) 5.776 6.994 ( 0.000 -4.917 0.000) 4.917 7.910 ( 0.000 1.337 0.000) 1.337 7.946 ( 0.000 -1.894 0.000) 1.894 9.183 ( 0.000 4.349 0.000) 4.349 9.246 ( 0.000 -1.967 0.000) 1.967 10.174 ( 0.000 4.432 0.000) 4.432 10.258 ( 0.000 -3.641 0.000) 3.641 10.524 ( 0.000 1.733 0.000) 1.733 10.562 ( 0.000 -1.934 0.000) 1.934 10.630 ( 0.000 3.996 0.000) 3.996 10.725 ( 0.000 -4.869 0.000) 4.869 10.858 ( 0.000 0.320 0.000) 0.320 10.865 ( 0.000 -0.179 0.000) 0.179 10.988 ( 0.000 2.029 0.000) 2.029 11.030 ( 0.000 -1.969 0.000) 1.969 11.235 ( 0.000 1.164 0.000) 1.164 11.285 ( 0.000 -3.749 0.000) 3.749 ======================= Grid point 28 (17/72) ======================= q-point: ( 0.12 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 10.692 12.076 -1.275) 16.180 1.124 ( 4.758 -12.593 0.654) 13.477 1.299 ( 4.012 10.157 0.753) 10.947 1.399 ( 6.663 -1.769 0.075) 6.894 1.489 ( 2.551 5.082 1.879) 5.989 1.587 ( 1.780 2.958 1.873) 3.927 1.689 ( 5.586 -3.639 7.389) 9.952 1.805 ( 3.279 -6.711 3.122) 8.096 1.931 ( 2.094 -0.830 1.987) 3.003 1.952 ( 4.988 -2.992 0.036) 5.817 2.094 ( -1.628 6.024 -6.783) 9.217 2.179 ( -0.442 -2.028 -4.034) 4.537 2.302 ( 4.173 10.851 -1.053) 11.673 2.448 ( -0.007 -3.034 -7.433) 8.029 2.699 ( -2.104 6.980 4.516) 8.575 2.850 ( 0.983 -6.078 4.258) 7.486 2.948 ( -1.984 -0.644 -0.165) 2.093 3.000 ( -0.301 -2.684 2.469) 3.659 3.104 ( -0.383 1.332 -1.813) 2.282 3.109 ( 6.529 1.962 2.527) 7.270 3.176 ( -0.625 -1.353 2.190) 2.649 3.204 ( -1.190 -4.737 2.329) 5.411 3.329 ( -0.915 4.171 -5.656) 7.087 3.389 ( 0.385 -0.636 -3.489) 3.568 3.456 ( -3.090 1.406 -1.293) 3.633 3.476 ( -1.241 0.480 0.887) 1.599 3.623 ( -1.219 1.663 0.491) 2.120 3.642 ( 0.815 1.467 -0.614) 1.787 3.724 ( -2.505 1.019 -0.380) 2.731 3.762 ( -1.566 -1.106 1.674) 2.545 3.951 ( -4.406 7.826 1.457) 9.099 4.000 ( -2.067 2.851 -2.468) 4.300 4.064 ( -0.511 2.375 -5.489) 6.003 4.070 ( -1.904 2.394 -1.183) 3.279 4.165 ( -1.375 6.734 -0.992) 6.945 4.286 ( -1.657 2.840 -3.541) 4.832 4.309 ( -0.726 1.360 -0.808) 1.741 4.310 ( -1.742 -0.922 0.525) 2.040 4.380 ( -0.065 -1.536 -4.264) 4.533 4.414 ( -0.609 -11.869 -1.735) 12.011 4.493 ( 3.888 3.914 3.121) 6.339 4.581 ( 3.763 -3.089 3.540) 6.020 4.601 ( 1.547 -1.167 0.534) 2.010 4.639 ( 1.915 -4.973 3.569) 6.414 4.675 ( 1.139 1.758 -0.317) 2.119 4.796 ( 3.613 -7.227 3.656) 8.869 4.936 ( 3.602 1.580 3.170) 5.052 4.988 ( 1.689 -3.050 1.005) 3.628 5.097 ( -4.923 4.383 -2.824) 7.171 5.206 ( -5.067 -3.144 -0.724) 6.007 5.310 ( 2.875 3.830 -0.585) 4.824 5.355 ( -0.724 -0.767 0.381) 1.121 5.383 ( 0.864 -3.647 -0.917) 3.858 5.415 ( 1.855 -3.777 -1.966) 4.644 5.539 ( 0.954 5.753 4.134) 7.148 5.634 ( -0.327 -0.330 0.041) 0.466 5.657 ( 4.096 -2.651 2.156) 5.335 5.678 ( 1.873 -5.368 6.571) 8.689 5.825 ( -1.412 3.578 -0.491) 3.878 5.928 ( -0.368 -3.247 -1.678) 3.674 6.062 ( -0.472 0.421 -4.968) 5.008 6.126 ( -1.388 -3.921 -1.721) 4.501 6.238 ( -0.740 0.559 1.997) 2.202 6.245 ( -0.782 -0.381 4.420) 4.505 6.680 ( -2.124 2.113 -1.090) 3.188 6.700 ( -2.186 0.171 -1.510) 2.662 6.841 ( -4.041 4.994 -0.334) 6.433 6.935 ( -5.234 -3.931 -1.606) 6.740 7.914 ( 0.082 0.890 0.499) 1.024 7.938 ( -0.722 -1.216 -0.246) 1.435 9.145 ( -3.734 3.880 -0.716) 5.432 9.190 ( -5.046 -0.525 -1.409) 5.265 10.191 ( 0.550 3.264 1.684) 3.714 10.255 ( -0.490 -2.751 -0.314) 2.812 10.497 ( -2.296 1.979 -0.609) 3.091 10.534 ( -1.493 -1.130 -0.984) 2.116 10.597 ( -2.566 0.659 0.080) 2.650 10.626 ( -6.582 -1.831 1.474) 6.989 10.911 ( 4.032 1.989 -1.015) 4.609 10.962 ( 6.142 -2.660 -2.396) 7.109 11.021 ( 4.368 3.081 -0.093) 5.346 11.090 ( 5.772 -3.468 1.476) 6.894 11.233 ( -0.123 2.174 0.368) 2.208 11.310 ( 1.540 -5.178 1.716) 5.668 ======================= Grid point 29 (18/72) ======================= q-point: ( 0.25 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 14.019 7.209 -1.149) 15.805 1.238 ( 6.463 -7.159 2.172) 9.886 1.392 ( 5.973 11.621 -1.993) 13.218 1.559 ( 3.810 3.743 1.797) 5.635 1.565 ( 9.740 -2.676 1.176) 10.169 1.648 ( 3.451 -2.115 1.489) 4.313 1.834 ( 4.699 1.136 -0.953) 4.927 1.871 ( -2.773 2.231 -4.681) 5.880 1.938 ( 1.961 -2.621 0.697) 3.347 1.971 ( 0.605 -2.522 2.795) 3.813 2.137 ( 8.443 3.340 2.654) 9.459 2.203 ( 5.658 -0.293 -0.560) 5.693 2.364 ( 1.208 2.352 0.798) 2.762 2.405 ( 1.816 -1.471 -4.172) 4.782 2.753 ( 1.799 7.363 5.374) 9.292 2.875 ( -0.656 -0.830 2.001) 2.264 2.952 ( 0.159 -0.822 0.115) 0.845 3.001 ( 1.507 -0.789 1.203) 2.083 3.054 ( -4.122 1.040 -7.136) 8.307 3.055 ( -4.125 -3.904 -0.515) 5.703 3.208 ( -4.084 -0.056 0.069) 4.085 3.253 ( -0.739 -1.244 2.332) 2.745 3.322 ( 3.739 4.662 0.482) 5.995 3.393 ( 5.342 -2.903 0.272) 6.086 3.420 ( 0.234 1.659 1.265) 2.100 3.467 ( -0.736 -1.055 1.585) 2.041 3.579 ( -3.060 3.678 1.070) 4.903 3.653 ( 0.275 -1.423 -0.178) 1.460 3.688 ( -1.490 1.124 0.081) 1.868 3.741 ( -0.323 -1.533 -2.271) 2.759 3.886 ( -4.138 5.796 0.509) 7.140 3.947 ( -0.654 2.816 -0.134) 2.894 3.997 ( -0.956 3.931 -2.668) 4.846 4.044 ( -0.896 1.966 -1.252) 2.497 4.152 ( -0.316 7.058 1.203) 7.167 4.203 ( -4.233 2.716 -0.991) 5.126 4.274 ( -2.157 -1.882 -1.724) 3.341 4.306 ( -0.139 1.373 -1.330) 1.916 4.337 ( 0.339 -2.777 -0.729) 2.891 4.411 ( -0.267 -10.311 0.275) 10.318 4.541 ( 0.112 0.021 -4.623) 4.625 4.584 ( 0.618 -0.062 -1.322) 1.460 4.637 ( 0.209 -2.659 -0.003) 2.667 4.681 ( 0.362 -3.811 4.462) 5.879 4.785 ( 3.693 0.294 3.031) 4.787 4.863 ( 2.657 -5.851 -0.693) 6.463 4.955 ( -2.781 -0.492 -0.759) 2.925 5.006 ( -2.383 -4.069 0.358) 4.729 5.078 ( 2.783 2.400 4.364) 5.705 5.117 ( -2.116 -1.609 -0.039) 2.659 5.317 ( -0.402 1.593 -3.160) 3.562 5.364 ( 3.643 0.170 -1.994) 4.156 5.377 ( -0.577 2.649 -0.746) 2.812 5.472 ( 2.517 -2.315 1.011) 3.566 5.574 ( -0.344 2.293 2.621) 3.500 5.634 ( 1.037 0.680 0.919) 1.543 5.724 ( 0.317 -1.151 0.346) 1.243 5.785 ( 1.686 -5.607 3.776) 6.967 5.822 ( 2.204 1.424 1.484) 3.015 5.889 ( 0.369 -3.452 -4.106) 5.377 6.001 ( -1.314 3.006 -3.048) 4.478 6.093 ( -1.590 -5.085 -0.188) 5.331 6.245 ( -1.191 1.495 2.870) 3.448 6.272 ( -0.795 -0.864 2.945) 3.170 6.618 ( -3.322 1.011 -1.152) 3.658 6.620 ( -3.883 0.964 -2.024) 4.484 6.760 ( -4.680 3.258 0.016) 5.702 6.816 ( -6.352 -1.986 -0.069) 6.656 7.919 ( -0.120 0.069 0.249) 0.284 7.922 ( -0.511 -0.133 -0.285) 0.600 9.053 ( -5.483 3.067 -0.554) 6.307 9.070 ( -6.366 1.443 -1.146) 6.627 10.207 ( -0.354 1.101 0.500) 1.260 10.228 ( -1.553 -0.700 -1.031) 1.991 10.464 ( -1.013 1.323 -0.130) 1.671 10.507 ( -1.580 -2.563 0.175) 3.016 10.554 ( -0.963 0.745 -0.122) 1.223 10.574 ( -0.932 -1.202 0.342) 1.559 10.955 ( 2.353 2.880 -0.775) 3.799 11.021 ( 2.849 -3.045 -0.025) 4.170 11.110 ( 4.651 4.315 -0.242) 6.349 11.211 ( 6.224 -4.097 -0.132) 7.453 11.240 ( 0.323 2.958 0.633) 3.042 11.358 ( 1.734 -7.181 1.666) 7.573 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.38 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 10.450 4.908 -0.109) 11.545 1.383 ( 6.300 -1.743 3.342) 7.341 1.445 ( 3.045 6.065 -2.637) 7.281 1.600 ( -1.020 -5.078 -3.320) 6.152 1.672 ( 4.762 6.397 -2.944) 8.501 1.754 ( 0.169 0.912 -2.080) 2.278 1.775 ( 1.224 -0.165 0.542) 1.349 1.848 ( 2.304 -4.735 -3.103) 6.112 1.959 ( 5.507 11.336 2.494) 12.847 2.120 ( 4.160 -2.877 0.929) 5.143 2.250 ( 0.166 4.184 2.273) 4.765 2.318 ( 7.825 -0.858 -4.753) 9.195 2.390 ( -2.281 1.887 6.733) 7.355 2.441 ( 5.096 0.553 6.908) 8.602 2.798 ( -1.316 3.922 -1.780) 4.504 2.856 ( -5.474 -1.860 -4.724) 7.466 2.892 ( -0.395 -0.838 1.437) 1.709 2.939 ( -4.195 -2.121 -1.225) 4.858 3.032 ( 2.980 0.537 0.448) 3.061 3.060 ( 0.689 -0.846 0.402) 1.163 3.155 ( 0.385 -0.863 -1.605) 1.863 3.183 ( -2.477 -0.637 -2.580) 3.633 3.391 ( -1.176 2.059 -0.878) 2.528 3.402 ( -2.076 1.970 1.994) 3.488 3.498 ( 3.487 -2.890 5.222) 6.913 3.502 ( 0.199 -1.851 4.026) 4.435 3.612 ( 3.928 3.135 1.502) 5.246 3.648 ( -0.732 2.044 -2.989) 3.694 3.679 ( 0.432 -3.430 4.094) 5.358 3.724 ( 1.466 -4.365 -3.974) 6.083 3.845 ( -0.114 8.009 1.515) 8.151 3.961 ( 0.374 4.439 1.696) 4.767 3.996 ( 1.260 4.368 0.498) 4.574 4.042 ( 1.383 3.350 0.436) 3.650 4.102 ( -4.693 2.465 1.110) 5.416 4.145 ( -2.849 -2.178 -1.641) 3.944 4.248 ( -0.002 1.061 2.139) 2.388 4.280 ( -0.321 2.921 -2.782) 4.047 4.350 ( -0.448 -1.730 0.822) 1.967 4.384 ( -2.523 -6.742 -2.341) 7.569 4.478 ( -1.269 -1.449 -2.983) 3.551 4.539 ( -0.219 -4.889 -5.301) 7.215 4.651 ( -0.843 2.241 1.059) 2.618 4.693 ( -1.385 -1.988 0.918) 2.591 4.807 ( -1.032 -0.842 2.586) 2.909 4.878 ( -0.432 -5.667 -0.673) 5.723 4.967 ( 2.444 -3.620 0.982) 4.477 4.977 ( -0.149 -5.126 0.589) 5.162 5.086 ( -1.773 5.122 -1.125) 5.536 5.157 ( 1.766 0.088 1.607) 2.389 5.273 ( -1.097 5.042 -3.241) 6.094 5.343 ( -0.858 -0.912 0.428) 1.324 5.421 ( 3.188 -3.055 -1.074) 4.544 5.475 ( -0.829 -5.196 -4.420) 6.872 5.601 ( 0.994 4.083 2.854) 5.080 5.686 ( 1.283 2.010 2.663) 3.574 5.725 ( 1.245 -3.863 0.743) 4.126 5.763 ( -2.200 -3.522 -1.023) 4.277 5.877 ( 2.867 2.104 -1.828) 3.998 5.927 ( 4.768 -2.502 -1.829) 5.687 5.962 ( -2.120 3.595 1.000) 4.292 6.056 ( -2.768 -4.380 0.475) 5.203 6.221 ( -3.247 2.630 -0.732) 4.242 6.270 ( -1.058 -2.134 1.140) 2.641 6.558 ( -1.736 1.719 0.988) 2.636 6.583 ( -0.840 -0.771 1.068) 1.563 6.687 ( -2.978 2.819 -0.070) 4.101 6.730 ( -4.008 -1.117 0.811) 4.239 7.908 ( -0.313 0.570 -0.425) 0.777 7.922 ( -0.082 -0.687 0.093) 0.698 8.962 ( -3.926 2.617 -0.104) 4.719 8.967 ( -4.161 2.233 -0.419) 4.741 10.182 ( -1.045 0.942 -1.521) 2.073 10.201 ( -0.864 -0.881 -0.359) 1.286 10.450 ( -0.299 0.511 -0.401) 0.715 10.477 ( -1.132 -1.873 -0.637) 2.279 10.560 ( 0.532 0.932 0.592) 1.226 10.586 ( 0.745 -1.776 1.385) 2.372 10.985 ( 1.473 3.456 -0.036) 3.757 11.064 ( 1.699 -3.696 0.447) 4.092 11.167 ( 2.082 5.788 0.029) 6.152 11.248 ( 0.153 0.146 0.059) 0.220 11.294 ( 3.499 -1.465 -0.727) 3.863 11.396 ( 0.900 -8.109 1.157) 8.241 ======================= Grid point 31 (20/72) ======================= q-point: (-0.50 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 0.000 4.770 0.000) 4.770 1.451 ( 0.000 3.657 0.000) 3.657 1.488 ( 0.000 -3.494 0.000) 3.494 1.551 ( 0.000 -5.100 0.000) 5.100 1.642 ( 0.000 9.234 0.000) 9.234 1.742 ( 0.000 1.249 0.000) 1.249 1.791 ( 0.000 3.577 0.000) 3.577 1.908 ( 0.000 -5.674 0.000) 5.674 2.043 ( 0.000 8.668 0.000) 8.668 2.118 ( 0.000 5.073 -0.000) 5.073 2.298 ( 0.000 -0.485 0.000) 0.485 2.300 ( 0.000 -2.666 -0.000) 2.666 2.452 ( 0.000 7.860 -0.000) 7.860 2.613 ( 0.000 -3.373 0.000) 3.373 2.662 ( 0.000 6.074 -0.000) 6.074 2.799 ( 0.000 -5.847 0.000) 5.847 2.877 ( 0.000 0.324 0.000) 0.324 2.920 ( 0.000 -2.669 0.000) 2.669 3.044 ( 0.000 1.526 0.000) 1.526 3.057 ( 0.000 0.153 0.000) 0.153 3.146 ( 0.000 -0.648 0.000) 0.648 3.177 ( 0.000 -3.166 0.000) 3.166 3.369 ( 0.000 1.449 0.000) 1.449 3.381 ( 0.000 0.712 0.000) 0.712 3.536 ( 0.000 -0.621 0.000) 0.621 3.571 ( 0.000 -3.227 0.000) 3.227 3.637 ( -0.000 1.377 -0.000) 1.377 3.642 ( 0.000 2.634 0.000) 2.634 3.681 ( 0.000 -1.651 0.000) 1.651 3.742 ( 0.000 -4.228 0.000) 4.228 3.868 ( 0.000 6.310 0.000) 6.310 3.986 ( -0.000 9.093 0.000) 9.093 3.996 ( 0.000 0.915 0.000) 0.915 4.070 ( -0.000 2.252 0.000) 2.252 4.075 ( 0.000 3.802 -0.000) 3.802 4.109 ( 0.000 -4.394 0.000) 4.394 4.246 ( 0.000 2.329 0.000) 2.329 4.289 ( 0.000 2.928 0.000) 2.928 4.309 ( -0.000 -5.466 0.000) 5.466 4.332 ( 0.000 -2.415 0.000) 2.415 4.461 ( 0.000 -2.063 0.000) 2.063 4.514 ( 0.000 -5.173 0.000) 5.173 4.639 ( 0.000 2.961 -0.000) 2.961 4.679 ( 0.000 -1.421 0.000) 1.421 4.842 ( 0.000 -2.104 0.000) 2.104 4.850 ( -0.000 -3.618 -0.000) 3.618 4.987 ( 0.000 -2.611 0.000) 2.611 4.991 ( 0.000 -3.328 0.000) 3.328 5.053 ( 0.000 5.550 0.000) 5.550 5.177 ( 0.000 -1.418 0.000) 1.418 5.244 ( 0.000 5.882 -0.000) 5.882 5.358 ( 0.000 -8.541 0.000) 8.541 5.415 ( 0.000 -2.208 0.000) 2.208 5.445 ( 0.000 -5.432 0.000) 5.432 5.628 ( 0.000 4.882 0.000) 4.882 5.717 ( 0.000 0.793 0.000) 0.793 5.731 ( 0.000 -0.425 0.000) 0.425 5.761 ( 0.000 -5.627 0.000) 5.627 5.886 ( -0.000 6.659 0.000) 6.659 5.948 ( 0.000 1.093 0.000) 1.093 5.974 ( 0.000 -1.503 0.000) 1.503 6.018 ( 0.000 -4.800 0.000) 4.800 6.175 ( 0.000 4.088 0.000) 4.088 6.264 ( 0.000 -4.307 0.000) 4.307 6.561 ( 0.000 2.325 0.000) 2.325 6.576 ( 0.000 0.592 -0.000) 0.592 6.672 ( 0.000 0.828 0.000) 0.828 6.689 ( 0.000 -0.588 0.000) 0.588 7.903 ( 0.000 0.699 0.000) 0.699 7.921 ( 0.000 -0.915 0.000) 0.915 8.926 ( 0.000 2.466 -0.000) 2.466 8.927 ( 0.000 2.429 0.000) 2.429 10.164 ( 0.000 1.209 0.000) 1.209 10.190 ( 0.000 -1.323 0.000) 1.323 10.446 ( 0.000 0.013 0.000) 0.013 10.463 ( 0.000 -1.354 0.000) 1.354 10.570 ( 0.000 1.204 0.000) 1.204 10.602 ( 0.000 -2.108 0.000) 2.108 10.999 ( 0.000 3.677 0.000) 3.677 11.082 ( 0.000 -3.751 -0.000) 3.751 11.186 ( 0.000 6.464 0.000) 6.464 11.248 ( 0.000 -0.944 0.000) 0.944 11.321 ( 0.000 -0.850 0.000) 0.850 11.410 ( 0.000 -8.334 0.000) 8.334 ======================= Grid point 63 (21/72) ======================= q-point: ( 0.00 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 11.015 0.000 19.523) 22.415 0.431 ( -7.617 0.000 22.069) 23.347 0.798 ( 1.091 0.000 37.795) 37.811 1.193 ( -9.176 0.000 -17.302) 19.585 1.287 ( 6.221 0.000 -19.398) 20.371 1.706 ( 1.821 0.000 -1.219) 2.191 1.778 ( -4.475 0.000 9.397) 10.408 1.906 ( 0.937 0.000 6.214) 6.284 1.940 ( -8.022 0.000 -2.581) 8.427 1.943 ( -3.053 0.000 1.989) 3.644 1.973 ( -0.594 0.000 7.894) 7.917 2.198 ( -3.115 0.000 4.248) 5.268 2.287 ( 0.858 0.000 -21.002) 21.020 2.511 ( 0.830 0.000 -13.871) 13.896 2.708 ( -0.708 0.000 -0.462) 0.846 2.820 ( 5.309 0.000 11.459) 12.629 2.826 ( -0.495 0.000 -5.141) 5.165 2.988 ( -4.416 0.000 4.245) 6.125 3.001 ( 0.662 0.000 2.624) 2.706 3.062 ( -1.983 0.000 3.016) 3.610 3.122 ( -1.905 0.000 -5.794) 6.099 3.131 ( 2.345 0.000 -4.160) 4.775 3.342 ( 6.493 0.000 0.341) 6.502 3.385 ( 3.144 0.000 -4.062) 5.137 3.441 ( -2.244 0.000 3.156) 3.873 3.517 ( 1.429 0.000 -0.970) 1.727 3.527 ( -2.878 0.000 7.139) 7.697 3.585 ( 0.675 0.000 -2.687) 2.770 3.648 ( -2.780 0.000 -2.161) 3.521 3.700 ( -1.103 0.000 -1.295) 1.701 3.701 ( 0.240 0.000 -5.529) 5.534 3.750 ( 1.368 0.000 -2.946) 3.248 3.755 ( -5.359 0.000 0.864) 5.428 3.959 ( 1.481 0.000 -4.480) 4.719 4.046 ( 5.694 0.000 5.177) 7.696 4.125 ( -5.553 0.000 7.026) 8.955 4.291 ( -2.151 0.000 0.729) 2.271 4.309 ( 5.442 0.000 4.807) 7.261 4.450 ( -4.727 0.000 0.263) 4.734 4.523 ( -6.069 0.000 -0.069) 6.069 4.608 ( -4.799 0.000 -5.501) 7.300 4.619 ( 5.242 0.000 -6.589) 8.420 4.770 ( 4.302 0.000 3.390) 5.477 4.775 ( -6.669 0.000 -0.788) 6.715 4.846 ( 0.325 0.000 2.385) 2.407 4.861 ( -6.862 0.000 1.752) 7.082 4.979 ( -0.613 0.000 -0.894) 1.084 5.106 ( 2.614 0.000 7.491) 7.934 5.114 ( 0.465 0.000 -3.992) 4.019 5.229 ( -2.480 0.000 2.227) 3.333 5.233 ( -1.237 0.000 0.934) 1.550 5.439 ( 2.439 0.000 -3.665) 4.402 5.491 ( -2.026 0.000 4.203) 4.666 5.499 ( 0.355 0.000 8.926) 8.933 5.621 ( -4.046 0.000 -0.763) 4.117 5.696 ( 2.498 0.000 -1.413) 2.870 5.801 ( 1.670 0.000 -4.911) 5.187 5.886 ( 2.981 0.000 -8.663) 9.162 6.008 ( -2.183 0.000 3.770) 4.357 6.064 ( 1.012 0.000 2.793) 2.971 6.137 ( 1.438 0.000 -1.025) 1.766 6.241 ( -0.343 0.000 -4.929) 4.940 6.462 ( -1.588 0.000 3.693) 4.020 6.539 ( 1.982 0.000 -0.472) 2.038 6.554 ( 16.492 0.000 0.573) 16.502 6.557 ( -0.715 0.000 -0.181) 0.738 6.607 ( 0.581 0.000 0.410) 0.711 6.666 ( -0.505 0.000 -2.148) 2.207 8.015 ( 0.327 0.000 0.385) 0.505 8.033 ( -0.328 0.000 -0.355) 0.483 8.623 ( -0.703 0.000 3.943) 4.005 8.815 ( 4.271 0.000 -3.650) 5.618 10.203 ( 9.045 0.000 2.079) 9.281 10.291 ( -0.596 0.000 -1.351) 1.477 10.487 ( 0.570 0.000 0.725) 0.922 10.518 ( -0.066 0.000 -0.507) 0.512 10.575 ( -5.636 0.000 -0.272) 5.643 10.584 ( 22.508 0.000 -0.637) 22.517 10.948 ( 2.371 0.000 2.981) 3.809 11.050 ( -1.663 0.000 1.882) 2.511 11.102 ( -4.763 0.000 -3.249) 5.766 11.130 ( 3.313 0.000 -1.299) 3.559 11.548 ( 7.419 0.000 1.797) 7.634 11.630 ( -33.346 0.000 -1.495) 33.380 ======================= Grid point 64 (22/72) ======================= q-point: ( 0.12 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 6.373 0.000 15.789) 17.027 0.785 ( 13.244 0.000 16.868) 21.446 0.831 ( -4.244 0.000 -18.087) 18.578 1.198 ( 5.251 0.000 -20.250) 20.920 1.415 ( 16.753 0.000 30.879) 35.131 1.697 ( -5.679 0.000 1.435) 5.857 1.707 ( -3.204 0.000 -4.156) 5.248 1.862 ( 0.990 0.000 -6.937) 7.008 1.872 ( -3.715 0.000 7.962) 8.786 2.052 ( 5.641 0.000 9.926) 11.417 2.063 ( 4.251 0.000 2.003) 4.699 2.204 ( 7.864 0.000 -11.849) 14.221 2.247 ( -1.111 0.000 0.960) 1.468 2.371 ( -1.086 0.000 -9.233) 9.297 2.690 ( -0.583 0.000 -0.318) 0.664 2.763 ( -0.715 0.000 -3.333) 3.409 2.934 ( -5.327 0.000 1.466) 5.525 3.014 ( -0.602 0.000 -3.102) 3.160 3.042 ( 4.781 0.000 9.215) 10.381 3.065 ( 3.082 0.000 4.990) 5.865 3.085 ( -2.671 0.000 -3.774) 4.623 3.147 ( 3.331 0.000 -2.071) 3.922 3.296 ( -4.834 0.000 -4.937) 6.909 3.327 ( -2.887 0.000 -4.012) 4.942 3.479 ( 6.184 0.000 2.594) 6.706 3.520 ( -4.572 0.000 -4.696) 6.555 3.554 ( -3.139 0.000 2.308) 3.896 3.556 ( -2.720 0.000 -0.169) 2.725 3.578 ( 3.677 0.000 -0.520) 3.714 3.698 ( 3.655 0.000 -1.650) 4.010 3.719 ( -0.912 0.000 4.072) 4.173 3.743 ( 0.809 0.000 -4.258) 4.334 3.782 ( 5.574 0.000 0.401) 5.588 3.942 ( 1.210 0.000 -2.143) 2.461 4.037 ( -6.372 0.000 -0.596) 6.400 4.212 ( 5.552 0.000 7.103) 9.015 4.284 ( -2.659 0.000 3.420) 4.332 4.360 ( -0.029 0.000 -2.105) 2.105 4.431 ( -4.304 0.000 0.945) 4.407 4.527 ( 10.716 0.000 7.880) 13.301 4.579 ( -1.369 0.000 0.679) 1.528 4.608 ( 2.891 0.000 -9.979) 10.389 4.725 ( -1.220 0.000 0.521) 1.326 4.782 ( -1.758 0.000 -1.073) 2.060 4.813 ( -2.069 0.000 0.209) 2.079 4.957 ( 2.606 0.000 8.178) 8.583 4.989 ( 3.661 0.000 -0.466) 3.690 5.068 ( -1.236 0.000 -3.681) 3.883 5.212 ( 0.476 0.000 4.116) 4.144 5.233 ( -0.156 0.000 2.829) 2.833 5.264 ( 2.236 0.000 6.549) 6.920 5.341 ( -4.407 0.000 -8.285) 9.384 5.506 ( -1.440 0.000 2.995) 3.323 5.521 ( -3.268 0.000 0.128) 3.271 5.597 ( -1.016 0.000 7.218) 7.289 5.741 ( 2.843 0.000 -0.490) 2.885 5.782 ( 2.266 0.000 -6.071) 6.480 5.892 ( 6.587 0.000 -7.772) 10.188 5.968 ( -6.151 0.000 3.818) 7.240 6.091 ( -0.747 0.000 2.050) 2.182 6.153 ( 1.525 0.000 -0.258) 1.547 6.174 ( -1.150 0.000 -6.005) 6.115 6.406 ( -6.393 0.000 -1.501) 6.567 6.523 ( -1.119 0.000 -0.016) 1.120 6.534 ( -0.741 0.000 0.021) 0.741 6.548 ( -6.932 0.000 0.968) 6.999 6.619 ( -0.531 0.000 1.434) 1.530 6.660 ( -1.016 0.000 -4.669) 4.779 8.021 ( -0.477 0.000 -0.414) 0.631 8.026 ( 0.242 0.000 0.523) 0.576 8.624 ( -3.505 0.000 3.761) 5.141 8.766 ( -2.984 0.000 -4.666) 5.539 10.235 ( -2.787 0.000 -4.699) 5.463 10.260 ( 0.567 0.000 1.405) 1.516 10.483 ( -1.986 0.000 -0.996) 2.222 10.504 ( 0.456 0.000 0.789) 0.912 10.515 ( 0.398 0.000 -2.631) 2.661 10.817 ( 3.804 0.000 -2.166) 4.378 10.995 ( -3.528 0.000 -2.478) 4.311 11.026 ( -1.455 0.000 0.281) 1.482 11.098 ( 6.972 0.000 4.472) 8.283 11.175 ( 3.926 0.000 -1.959) 4.388 11.293 ( -7.031 0.000 2.315) 7.403 11.725 ( 6.291 0.000 6.769) 9.241 ======================= Grid point 65 (23/72) ======================= q-point: ( 0.25 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 8.100 0.000 -13.611) 15.839 0.948 ( 14.264 0.000 10.384) 17.644 1.097 ( 11.785 0.000 -13.136) 17.648 1.189 ( 8.422 0.000 11.272) 14.071 1.534 ( -11.697 0.000 1.892) 11.849 1.551 ( -5.897 0.000 0.365) 5.908 1.841 ( -4.344 0.000 5.419) 6.945 1.917 ( 10.090 0.000 -5.199) 11.350 1.963 ( -0.220 0.000 13.395) 13.396 2.055 ( -3.827 0.000 -5.614) 6.794 2.128 ( 1.429 0.000 -2.026) 2.479 2.240 ( 8.279 0.000 -14.358) 16.574 2.319 ( 11.062 0.000 10.736) 15.415 2.394 ( 5.858 0.000 3.540) 6.844 2.740 ( 3.873 0.000 2.375) 4.544 2.767 ( 1.307 0.000 -0.292) 1.339 2.854 ( -0.710 0.000 -3.764) 3.831 2.918 ( -4.802 0.000 -1.521) 5.037 3.040 ( 0.751 0.000 0.195) 0.775 3.108 ( 0.446 0.000 1.305) 1.379 3.142 ( -2.648 0.000 0.872) 2.788 3.200 ( -3.937 0.000 -2.338) 4.579 3.201 ( 1.411 0.000 3.268) 3.560 3.308 ( 6.292 0.000 -4.186) 7.558 3.379 ( -3.519 0.000 -6.936) 7.778 3.435 ( -6.777 0.000 -1.636) 6.971 3.503 ( -7.352 0.000 4.248) 8.491 3.614 ( 1.844 0.000 -0.083) 1.846 3.625 ( 2.647 0.000 0.870) 2.786 3.723 ( 1.884 0.000 -2.943) 3.494 3.750 ( 3.955 0.000 2.302) 4.576 3.797 ( 3.719 0.000 3.778) 5.301 3.847 ( 2.526 0.000 -0.449) 2.566 3.954 ( -1.873 0.000 0.814) 2.043 3.978 ( 3.230 0.000 -0.693) 3.303 4.244 ( -2.458 0.000 -0.923) 2.625 4.265 ( -4.691 0.000 1.820) 5.032 4.400 ( 2.781 0.000 2.859) 3.988 4.421 ( 0.303 0.000 -1.830) 1.855 4.554 ( -2.337 0.000 1.780) 2.937 4.577 ( 5.621 0.000 -6.967) 8.952 4.667 ( -5.268 0.000 -1.088) 5.379 4.708 ( -3.319 0.000 2.080) 3.917 4.803 ( 0.407 0.000 0.327) 0.522 4.819 ( 9.212 0.000 8.080) 12.253 5.010 ( -2.865 0.000 -0.985) 3.029 5.032 ( 1.916 0.000 3.945) 4.386 5.110 ( 5.343 0.000 2.215) 5.784 5.155 ( -4.527 0.000 -8.158) 9.330 5.232 ( -0.994 0.000 2.035) 2.264 5.290 ( 2.178 0.000 1.817) 2.837 5.375 ( 2.207 0.000 3.931) 4.508 5.483 ( -2.556 0.000 2.634) 3.670 5.498 ( -1.048 0.000 0.174) 1.063 5.617 ( -2.785 0.000 3.632) 4.577 5.780 ( 3.889 0.000 -4.953) 6.297 5.781 ( 1.470 0.000 1.738) 2.276 5.892 ( -5.537 0.000 3.371) 6.482 5.938 ( 5.932 0.000 -6.788) 9.015 6.063 ( -1.944 0.000 -2.820) 3.425 6.104 ( 0.118 0.000 -4.964) 4.965 6.194 ( 1.648 0.000 2.120) 2.685 6.247 ( -6.550 0.000 -5.759) 8.722 6.424 ( -7.540 0.000 0.976) 7.603 6.507 ( -0.920 0.000 0.003) 0.920 6.528 ( -0.308 0.000 0.282) 0.417 6.574 ( -4.157 0.000 -1.430) 4.396 6.610 ( -1.984 0.000 1.216) 2.327 8.012 ( -0.230 0.000 -0.069) 0.241 8.030 ( -0.171 0.000 0.237) 0.292 8.582 ( -4.409 0.000 2.664) 5.152 8.661 ( -3.644 0.000 -3.912) 5.346 10.142 ( -0.431 0.000 -5.892) 5.908 10.284 ( 0.610 0.000 1.267) 1.406 10.465 ( 0.099 0.000 0.134) 0.166 10.499 ( 0.444 0.000 -2.602) 2.640 10.514 ( 0.177 0.000 0.009) 0.178 10.801 ( -5.328 0.000 4.978) 7.292 10.935 ( -1.924 0.000 -0.421) 1.969 11.025 ( 3.178 0.000 -4.338) 5.377 11.201 ( -2.233 0.000 8.218) 8.516 11.237 ( 5.369 0.000 -2.213) 5.807 11.297 ( 6.851 0.000 -4.318) 8.098 11.850 ( 0.181 0.000 6.034) 6.037 ======================= Grid point 66 (24/72) ======================= q-point: ( 0.38 0.00 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 14.372 0.000 -3.149) 14.713 1.110 ( -2.228 0.000 -1.373) 2.617 1.282 ( 12.999 0.000 7.043) 14.785 1.405 ( 4.368 0.000 -0.784) 4.438 1.445 ( -8.366 0.000 3.413) 9.036 1.536 ( 11.651 0.000 9.607) 15.101 1.780 ( -1.620 0.000 -0.587) 1.723 1.833 ( -14.050 0.000 5.808) 15.203 1.862 ( -11.014 0.000 -5.383) 12.259 2.003 ( 3.103 0.000 -6.162) 6.899 2.227 ( 2.505 0.000 0.063) 2.506 2.277 ( 11.457 0.000 -14.443) 18.435 2.495 ( 1.187 0.000 5.398) 5.527 2.597 ( 8.505 0.000 -1.265) 8.599 2.747 ( -0.118 0.000 -2.256) 2.259 2.830 ( 4.152 0.000 1.678) 4.478 2.867 ( -1.921 0.000 -5.750) 6.062 2.918 ( 7.212 0.000 5.568) 9.111 3.027 ( -5.101 0.000 -5.763) 7.697 3.044 ( -1.383 0.000 -1.229) 1.850 3.121 ( 0.129 0.000 0.333) 0.357 3.129 ( -0.543 0.000 2.295) 2.358 3.216 ( -4.998 0.000 5.694) 7.576 3.312 ( -0.064 0.000 -0.573) 0.577 3.332 ( -1.684 0.000 -1.851) 2.502 3.405 ( -7.345 0.000 4.515) 8.622 3.427 ( 6.692 0.000 0.948) 6.759 3.640 ( 1.910 0.000 -0.992) 2.152 3.643 ( 0.663 0.000 1.127) 1.307 3.736 ( 1.877 0.000 -1.180) 2.217 3.841 ( 1.807 0.000 1.053) 2.092 3.859 ( 1.952 0.000 -1.879) 2.710 3.913 ( 2.417 0.000 4.726) 5.308 3.940 ( -0.084 0.000 -0.185) 0.203 4.019 ( 0.230 0.000 0.703) 0.740 4.183 ( -4.444 0.000 0.286) 4.453 4.191 ( -1.483 0.000 -1.500) 2.110 4.377 ( 0.004 0.000 -3.448) 3.448 4.479 ( 1.178 0.000 1.488) 1.898 4.517 ( -4.548 0.000 0.590) 4.586 4.616 ( 1.385 0.000 5.265) 5.444 4.623 ( 7.510 0.000 -11.648) 13.859 4.654 ( -4.222 0.000 4.032) 5.838 4.805 ( -1.106 0.000 3.091) 3.283 4.948 ( -2.663 0.000 0.093) 2.665 5.012 ( 1.496 0.000 7.703) 7.847 5.071 ( 0.145 0.000 -1.413) 1.420 5.110 ( 1.871 0.000 2.752) 3.328 5.178 ( 1.199 0.000 -4.263) 4.429 5.195 ( -4.218 0.000 3.206) 5.298 5.337 ( -2.250 0.000 -6.529) 6.906 5.340 ( 1.320 0.000 0.440) 1.391 5.483 ( 0.749 0.000 -1.923) 2.064 5.498 ( -1.929 0.000 5.585) 5.909 5.633 ( 2.551 0.000 0.918) 2.711 5.820 ( 5.046 0.000 -3.466) 6.122 5.833 ( 0.210 0.000 4.129) 4.135 5.843 ( -3.488 0.000 1.536) 3.811 5.943 ( 2.078 0.000 -9.705) 9.925 6.002 ( 0.182 0.000 -1.906) 1.915 6.097 ( -1.031 0.000 0.202) 1.050 6.105 ( -0.781 0.000 -1.975) 2.124 6.233 ( 0.561 0.000 1.323) 1.437 6.323 ( -5.162 0.000 1.669) 5.425 6.485 ( -1.074 0.000 -0.527) 1.197 6.515 ( -2.418 0.000 1.174) 2.688 6.529 ( 0.390 0.000 -0.196) 0.437 6.576 ( -2.428 0.000 -0.002) 2.428 8.008 ( -0.187 0.000 -0.109) 0.216 8.025 ( -0.309 0.000 -0.219) 0.378 8.534 ( -3.483 0.000 2.116) 4.075 8.581 ( -1.493 0.000 -2.434) 2.856 10.127 ( 2.697 0.000 -1.625) 3.149 10.299 ( 0.007 0.000 0.355) 0.355 10.478 ( -0.405 0.000 -1.504) 1.558 10.489 ( 1.784 0.000 1.495) 2.327 10.512 ( 0.187 0.000 -1.031) 1.048 10.745 ( -5.913 0.000 3.734) 6.994 10.908 ( -1.435 0.000 0.573) 1.545 11.029 ( 3.265 0.000 -7.130) 7.842 11.217 ( -1.496 0.000 3.166) 3.501 11.307 ( 4.814 0.000 -2.716) 5.527 11.400 ( 4.454 0.000 3.878) 5.905 11.849 ( -3.576 0.000 1.128) 3.749 ======================= Grid point 67 (25/72) ======================= q-point: (-0.50 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 9.720 0.000 3.192) 10.231 1.039 ( -3.677 0.000 1.815) 4.100 1.363 ( -2.844 0.000 3.248) 4.317 1.477 ( -4.188 0.000 -5.740) 7.106 1.518 ( 6.571 0.000 5.760) 8.738 1.603 ( -15.915 0.000 4.328) 16.493 1.635 ( -0.502 0.000 3.923) 3.955 1.855 ( 4.236 0.000 6.519) 7.774 1.876 ( 12.922 0.000 9.906) 16.282 1.957 ( 1.276 0.000 -10.128) 10.208 2.197 ( -2.969 0.000 -4.786) 5.632 2.207 ( -3.323 0.000 -11.878) 12.334 2.511 ( -7.802 0.000 -13.277) 15.399 2.590 ( 1.131 0.000 -6.953) 7.045 2.675 ( -2.850 0.000 -0.115) 2.853 2.858 ( 5.865 0.000 7.857) 9.805 2.909 ( 2.298 0.000 -3.342) 4.056 2.930 ( 1.485 0.000 -1.463) 2.085 2.997 ( -2.841 0.000 0.890) 2.977 3.132 ( 8.294 0.000 1.360) 8.405 3.138 ( -7.663 0.000 2.884) 8.187 3.142 ( -1.350 0.000 2.364) 2.722 3.192 ( 3.695 0.000 5.075) 6.278 3.302 ( -1.664 0.000 1.098) 1.993 3.314 ( 1.565 0.000 -1.293) 2.029 3.400 ( 1.943 0.000 6.127) 6.428 3.455 ( -2.543 0.000 -7.298) 7.729 3.652 ( 0.733 0.000 -2.983) 3.072 3.659 ( -0.695 0.000 2.617) 2.708 3.768 ( 2.306 0.000 0.201) 2.314 3.827 ( -1.179 0.000 -2.799) 3.037 3.842 ( -1.720 0.000 -2.442) 2.987 3.951 ( -1.904 0.000 4.241) 4.649 3.969 ( -0.673 0.000 3.276) 3.344 4.064 ( 1.848 0.000 4.448) 4.817 4.145 ( -0.372 0.000 0.491) 0.616 4.195 ( 3.079 0.000 1.404) 3.384 4.385 ( 3.852 0.000 -1.793) 4.249 4.428 ( -2.766 0.000 -1.089) 2.972 4.504 ( 1.276 0.000 1.961) 2.340 4.604 ( -2.536 0.000 0.431) 2.572 4.637 ( 3.667 0.000 -11.106) 11.696 4.711 ( -0.821 0.000 9.002) 9.039 4.877 ( 0.215 0.000 6.550) 6.553 4.936 ( 1.162 0.000 3.084) 3.296 4.957 ( -8.666 0.000 -3.819) 9.470 5.073 ( -3.857 0.000 3.568) 5.254 5.105 ( 3.107 0.000 2.587) 4.043 5.141 ( 1.133 0.000 -7.880) 7.961 5.194 ( -1.154 0.000 -0.451) 1.239 5.279 ( 1.655 0.000 -2.368) 2.889 5.325 ( -1.575 0.000 -2.452) 2.914 5.483 ( -3.481 0.000 1.221) 3.689 5.489 ( 1.105 0.000 -0.875) 1.409 5.701 ( 2.031 0.000 3.133) 3.734 5.737 ( -7.752 0.000 -1.680) 7.932 5.849 ( -0.780 0.000 1.869) 2.026 5.872 ( 2.724 0.000 -2.370) 3.610 5.891 ( 4.329 0.000 -6.940) 8.179 6.013 ( 3.448 0.000 -4.778) 5.892 6.140 ( 3.962 0.000 5.796) 7.021 6.161 ( 2.634 0.000 3.123) 4.086 6.236 ( -0.563 0.000 -0.529) 0.772 6.271 ( -3.026 0.000 1.296) 3.292 6.481 ( 0.966 0.000 0.602) 1.138 6.494 ( -1.308 0.000 1.081) 1.697 6.530 ( -1.214 0.000 -0.853) 1.484 6.540 ( 0.562 0.000 -0.925) 1.082 8.005 ( 0.017 0.000 -0.117) 0.118 8.017 ( -0.123 0.000 -0.562) 0.575 8.505 ( -1.686 0.000 1.420) 2.204 8.569 ( 2.045 0.000 -1.125) 2.334 10.184 ( 2.847 0.000 2.195) 3.595 10.287 ( -1.068 0.000 -1.314) 1.693 10.460 ( -0.366 0.000 -0.396) 0.539 10.503 ( 0.479 0.000 -1.754) 1.819 10.561 ( 3.214 0.000 3.989) 5.123 10.665 ( -5.076 0.000 -0.150) 5.078 10.891 ( -1.061 0.000 0.405) 1.136 11.004 ( 1.599 0.000 -6.485) 6.679 11.214 ( -2.074 0.000 2.397) 3.170 11.338 ( 1.597 0.000 -3.045) 3.438 11.520 ( 2.848 0.000 7.656) 8.169 11.773 ( -3.332 0.000 -3.339) 4.718 ======================= Grid point 68 (26/72) ======================= q-point: (-0.38 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -7.644 0.000 -7.726) 10.868 1.170 ( -7.003 0.000 1.657) 7.197 1.253 ( -7.228 0.000 9.780) 12.161 1.290 ( -1.363 0.000 1.307) 1.889 1.539 ( 3.775 0.000 7.255) 8.179 1.668 ( 5.412 0.000 3.807) 6.616 1.808 ( 0.909 0.000 -7.753) 7.806 1.830 ( -3.152 0.000 9.230) 9.753 1.874 ( -15.004 0.000 0.468) 15.011 2.035 ( -6.388 0.000 -11.544) 13.194 2.074 ( 4.236 0.000 -11.931) 12.661 2.161 ( 6.134 0.000 9.899) 11.646 2.279 ( -3.328 0.000 2.414) 4.111 2.407 ( -0.133 0.000 -12.913) 12.914 2.778 ( 3.875 0.000 6.799) 7.826 2.890 ( -2.048 0.000 -1.705) 2.665 2.909 ( -2.520 0.000 -1.323) 2.846 2.935 ( -0.228 0.000 -0.804) 0.836 3.038 ( -4.451 0.000 -4.537) 6.356 3.102 ( -1.367 0.000 -6.314) 6.460 3.109 ( 4.556 0.000 11.599) 12.461 3.158 ( -2.852 0.000 2.171) 3.584 3.288 ( -0.573 0.000 -7.287) 7.310 3.313 ( 1.966 0.000 3.505) 4.018 3.333 ( 3.907 0.000 0.832) 3.995 3.374 ( 4.055 0.000 -0.099) 4.056 3.551 ( 6.875 0.000 5.447) 8.771 3.644 ( 2.680 0.000 -3.917) 4.746 3.676 ( -1.303 0.000 5.030) 5.196 3.729 ( -3.503 0.000 -3.452) 4.918 3.763 ( -3.898 0.000 -2.128) 4.441 3.837 ( 1.595 0.000 -0.697) 1.741 3.966 ( -2.468 0.000 2.049) 3.208 3.976 ( -1.553 0.000 8.981) 9.114 4.070 ( -2.409 0.000 0.523) 2.466 4.151 ( 0.890 0.000 -0.572) 1.058 4.262 ( 0.715 0.000 2.233) 2.345 4.406 ( 0.333 0.000 -1.694) 1.726 4.413 ( -5.415 0.000 -12.489) 13.613 4.477 ( 0.987 0.000 -1.111) 1.486 4.609 ( 2.722 0.000 -6.834) 7.356 4.616 ( 3.971 0.000 8.661) 9.528 4.779 ( -2.692 0.000 10.178) 10.528 4.826 ( -3.710 0.000 -1.688) 4.076 4.897 ( -0.040 0.000 5.928) 5.928 5.005 ( -1.332 0.000 -2.027) 2.425 5.025 ( 2.394 0.000 4.636) 5.217 5.084 ( -4.246 0.000 -2.607) 4.983 5.157 ( -0.894 0.000 -3.367) 3.484 5.213 ( 4.419 0.000 2.858) 5.263 5.254 ( -2.510 0.000 -3.579) 4.371 5.297 ( 1.494 0.000 -0.842) 1.715 5.414 ( -3.333 0.000 -1.267) 3.566 5.510 ( 1.101 0.000 1.902) 2.197 5.601 ( -6.243 0.000 2.025) 6.563 5.752 ( 1.215 0.000 1.307) 1.784 5.863 ( -0.401 0.000 3.075) 3.101 5.890 ( 1.913 0.000 -0.716) 2.043 5.937 ( 4.667 0.000 -3.330) 5.733 6.014 ( 4.312 0.000 -9.646) 10.566 6.203 ( -2.151 0.000 -2.496) 3.295 6.223 ( -1.196 0.000 -2.588) 2.852 6.236 ( 2.528 0.000 2.528) 3.575 6.271 ( 4.098 0.000 4.480) 6.071 6.492 ( 0.125 0.000 0.943) 0.951 6.503 ( -0.162 0.000 -1.173) 1.184 6.538 ( 3.946 0.000 1.701) 4.297 6.553 ( 1.522 0.000 -0.851) 1.743 8.009 ( 0.421 0.000 0.230) 0.480 8.011 ( 0.090 0.000 -0.594) 0.601 8.504 ( 0.439 0.000 0.833) 0.942 8.622 ( 4.757 0.000 -1.171) 4.899 10.230 ( -2.398 0.000 -4.307) 4.929 10.253 ( 1.847 0.000 2.846) 3.393 10.462 ( 0.389 0.000 0.702) 0.802 10.495 ( 0.560 0.000 -1.931) 2.010 10.574 ( -3.217 0.000 -2.911) 4.338 10.665 ( 1.785 0.000 7.079) 7.300 10.884 ( 0.977 0.000 -0.906) 1.333 10.968 ( 0.142 0.000 -3.843) 3.846 11.186 ( -3.655 0.000 2.046) 4.188 11.308 ( -1.631 0.000 -2.250) 2.779 11.650 ( 2.206 0.000 10.357) 10.589 11.676 ( -2.359 0.000 -6.528) 6.941 ======================= Grid point 69 (27/72) ======================= q-point: (-0.25 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -17.116 0.000 -10.578) 20.121 0.813 ( -22.453 0.000 -2.572) 22.599 1.371 ( -27.416 0.000 7.165) 28.337 1.440 ( 9.797 0.000 -2.369) 10.079 1.482 ( -3.439 0.000 17.451) 17.787 1.630 ( -2.195 0.000 -3.114) 3.810 1.665 ( 2.343 0.000 -1.525) 2.796 1.729 ( -0.818 0.000 -6.084) 6.138 1.833 ( -3.034 0.000 -5.826) 6.568 1.904 ( 3.953 0.000 2.013) 4.436 2.088 ( -6.364 0.000 7.262) 9.656 2.289 ( 11.376 0.000 -2.895) 11.738 2.311 ( -4.579 0.000 5.322) 7.021 2.462 ( 8.368 0.000 -1.132) 8.444 2.779 ( -6.538 0.000 -9.159) 11.253 2.867 ( 0.267 0.000 -1.629) 1.651 2.869 ( -0.120 0.000 3.342) 3.344 2.917 ( 3.594 0.000 7.159) 8.010 2.973 ( 0.558 0.000 0.153) 0.579 3.087 ( 4.430 0.000 -5.720) 7.235 3.115 ( -4.085 0.000 3.360) 5.290 3.215 ( -0.910 0.000 2.435) 2.600 3.272 ( 3.706 0.000 -3.813) 5.317 3.347 ( -0.229 0.000 -1.178) 1.200 3.395 ( 2.036 0.000 0.666) 2.143 3.444 ( 3.870 0.000 -4.383) 5.847 3.621 ( -4.435 0.000 0.348) 4.449 3.642 ( -1.474 0.000 -1.424) 2.050 3.686 ( 4.974 0.000 -5.360) 7.312 3.707 ( -1.622 0.000 6.519) 6.718 3.745 ( 1.957 0.000 5.097) 5.460 3.810 ( -2.728 0.000 -0.443) 2.764 3.920 ( -4.682 0.000 1.526) 4.924 4.018 ( -0.493 0.000 -3.349) 3.385 4.064 ( -2.109 0.000 11.116) 11.315 4.112 ( -6.203 0.000 -10.111) 11.862 4.195 ( 2.105 0.000 -4.730) 5.177 4.308 ( 1.680 0.000 3.087) 3.514 4.390 ( 1.839 0.000 -4.516) 4.876 4.488 ( -1.107 0.000 0.832) 1.385 4.641 ( 5.747 0.000 -1.714) 5.997 4.740 ( 1.907 0.000 4.043) 4.470 4.762 ( -0.916 0.000 -3.541) 3.658 4.801 ( -4.363 0.000 14.337) 14.986 4.901 ( -7.030 0.000 -8.035) 10.676 4.992 ( -3.504 0.000 12.541) 13.021 5.019 ( -0.041 0.000 0.700) 0.701 5.093 ( -2.515 0.000 -3.099) 3.992 5.124 ( 4.482 0.000 3.304) 5.568 5.179 ( -1.485 0.000 -1.109) 1.854 5.312 ( 4.920 0.000 0.817) 4.987 5.312 ( -2.374 0.000 5.136) 5.658 5.358 ( 0.362 0.000 -4.241) 4.257 5.565 ( 1.656 0.000 4.129) 4.449 5.584 ( -0.679 0.000 5.614) 5.655 5.770 ( -0.068 0.000 -0.310) 0.317 5.897 ( 0.861 0.000 3.914) 4.008 5.908 ( 0.030 0.000 0.050) 0.058 5.954 ( 3.304 0.000 -18.957) 19.242 5.969 ( 1.342 0.000 -2.400) 2.750 6.128 ( -2.409 0.000 -2.074) 3.179 6.178 ( 0.531 0.000 -6.683) 6.705 6.284 ( 1.423 0.000 -0.196) 1.436 6.363 ( 2.589 0.000 2.863) 3.860 6.507 ( 1.506 0.000 -0.447) 1.571 6.514 ( 1.230 0.000 0.724) 1.427 6.575 ( 1.653 0.000 -0.481) 1.721 6.629 ( 4.600 0.000 0.295) 4.609 8.009 ( 0.116 0.000 -0.229) 0.256 8.023 ( 0.633 0.000 0.424) 0.762 8.534 ( 1.762 0.000 1.170) 2.115 8.691 ( 4.666 0.000 -2.853) 5.469 10.120 ( -3.455 0.000 -7.537) 8.292 10.296 ( 0.723 0.000 1.247) 1.441 10.484 ( 1.026 0.000 1.064) 1.478 10.485 ( 0.217 0.000 -1.712) 1.725 10.504 ( -1.518 0.000 -2.972) 3.337 10.717 ( -4.469 0.000 7.250) 8.516 10.938 ( 6.328 0.000 -0.698) 6.366 10.939 ( -0.580 0.000 -1.241) 1.369 11.129 ( -4.633 0.000 1.697) 4.934 11.254 ( -2.574 0.000 -0.736) 2.677 11.565 ( -1.954 0.000 -7.967) 8.203 11.807 ( 3.256 0.000 12.868) 13.273 ======================= Grid point 70 (28/72) ======================= q-point: (-0.12 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.253 ( -14.615 0.000 -0.346) 14.619 0.415 ( -20.013 0.000 7.493) 21.369 0.877 ( -35.161 0.000 22.453) 41.718 1.383 ( 3.123 0.000 -17.983) 18.252 1.469 ( -5.973 0.000 -14.380) 15.571 1.697 ( 0.259 0.000 16.658) 16.660 1.722 ( 0.051 0.000 -5.650) 5.650 1.806 ( 6.283 0.000 10.615) 12.335 1.812 ( 6.761 0.000 0.722) 6.800 2.017 ( -7.320 0.000 5.625) 9.232 2.019 ( -0.655 0.000 3.891) 3.946 2.237 ( -2.550 0.000 3.625) 4.432 2.416 ( 6.313 0.000 -10.346) 12.120 2.550 ( 5.469 0.000 -6.711) 8.657 2.676 ( 0.757 0.000 0.733) 1.054 2.862 ( 1.536 0.000 -4.394) 4.654 2.901 ( -1.717 0.000 -6.866) 7.077 2.994 ( -0.592 0.000 2.164) 2.244 3.026 ( 0.523 0.000 5.987) 6.010 3.060 ( -7.069 0.000 3.844) 8.047 3.114 ( 3.877 0.000 -4.243) 5.747 3.208 ( 3.735 0.000 -2.043) 4.258 3.268 ( -4.332 0.000 -5.012) 6.625 3.326 ( 5.329 0.000 -2.042) 5.707 3.410 ( 0.696 0.000 -4.840) 4.890 3.453 ( 2.880 0.000 3.948) 4.887 3.568 ( -2.004 0.000 -0.110) 2.007 3.598 ( -1.794 0.000 0.199) 1.805 3.710 ( -3.652 0.000 1.537) 3.962 3.712 ( 1.207 0.000 -1.402) 1.850 3.781 ( -0.412 0.000 -1.456) 1.513 3.790 ( 1.102 0.000 1.260) 1.674 3.814 ( -5.764 0.000 -3.219) 6.602 3.978 ( 1.625 0.000 -6.163) 6.373 3.995 ( -1.450 0.000 -1.239) 1.907 4.116 ( -4.140 0.000 10.826) 11.590 4.226 ( 1.957 0.000 1.300) 2.350 4.326 ( -1.649 0.000 0.513) 1.727 4.422 ( 4.372 0.000 -1.218) 4.539 4.534 ( 4.495 0.000 2.988) 5.397 4.655 ( -5.681 0.000 -4.592) 7.304 4.702 ( 1.589 0.000 -2.915) 3.320 4.730 ( -3.431 0.000 1.317) 3.675 4.811 ( 2.577 0.000 0.770) 2.689 4.881 ( -3.606 0.000 2.707) 4.509 5.015 ( -1.523 0.000 -1.000) 1.822 5.035 ( -0.095 0.000 0.312) 0.326 5.080 ( 4.220 0.000 0.706) 4.279 5.185 ( -0.510 0.000 -2.229) 2.287 5.252 ( 7.115 0.000 12.977) 14.799 5.270 ( -3.351 0.000 0.213) 3.358 5.402 ( 1.845 0.000 5.962) 6.241 5.413 ( 2.025 0.000 0.352) 2.055 5.592 ( -13.477 0.000 -21.865) 25.685 5.632 ( 0.375 0.000 3.304) 3.325 5.725 ( 7.639 0.000 3.374) 8.351 5.732 ( -2.652 0.000 -2.122) 3.397 5.907 ( -0.168 0.000 5.913) 5.915 5.934 ( 0.991 0.000 -6.465) 6.541 5.969 ( 1.781 0.000 4.323) 4.675 6.112 ( -0.151 0.000 4.304) 4.307 6.136 ( 1.983 0.000 -2.326) 3.057 6.281 ( 0.325 0.000 -3.200) 3.217 6.426 ( 1.078 0.000 3.631) 3.788 6.539 ( 1.363 0.000 0.061) 1.365 6.539 ( 1.560 0.000 0.051) 1.561 6.596 ( 0.861 0.000 -0.074) 0.864 6.684 ( 1.814 0.000 -1.415) 2.301 8.011 ( 0.057 0.000 0.136) 0.147 8.035 ( 0.306 0.000 0.128) 0.332 8.582 ( 1.426 0.000 2.559) 2.929 8.724 ( 2.959 0.000 -1.349) 3.252 10.002 ( -1.851 0.000 0.016) 1.851 10.304 ( -0.162 0.000 -0.297) 0.338 10.453 ( -1.126 0.000 -1.212) 1.654 10.480 ( -0.063 0.000 0.023) 0.067 10.510 ( 0.894 0.000 0.453) 1.002 10.668 ( -6.542 0.000 3.895) 7.613 10.925 ( -0.463 0.000 0.433) 0.634 11.054 ( 6.041 0.000 -0.039) 6.041 11.072 ( -3.429 0.000 2.027) 3.984 11.200 ( -3.469 0.000 -0.638) 3.527 11.483 ( 1.526 0.000 -5.574) 5.779 11.984 ( 3.375 0.000 1.947) 3.897 ======================= Grid point 71 (29/72) ======================= q-point: ( 0.00 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -10.974 10.191 13.283) 20.018 0.630 ( -6.375 13.405 16.548) 22.230 1.074 ( -0.228 12.861 1.629) 12.966 1.173 ( 5.620 11.873 4.562) 13.905 1.306 ( 5.834 1.003 -14.119) 15.310 1.675 ( -0.106 -1.766 4.173) 4.532 1.744 ( -2.477 -7.544 0.331) 7.948 1.850 ( 0.036 -1.149 5.969) 6.078 1.903 ( -3.472 -3.769 5.047) 7.193 1.958 ( -0.032 0.141 2.229) 2.233 1.979 ( -4.725 0.004 3.159) 5.684 2.150 ( 2.421 -0.004 4.286) 4.923 2.282 ( 2.782 -0.969 -12.275) 12.624 2.479 ( -1.001 -2.674 -12.028) 12.362 2.704 ( -3.118 -1.581 0.278) 3.508 2.823 ( 2.218 0.941 -0.369) 2.437 2.874 ( 1.031 4.234 -2.280) 4.919 3.014 ( 0.357 1.091 -0.680) 1.334 3.042 ( -0.985 3.080 2.730) 4.232 3.085 ( -3.466 1.051 -0.146) 3.625 3.143 ( -0.010 4.391 -0.159) 4.394 3.199 ( 1.482 2.181 -4.897) 5.561 3.321 ( 4.869 -2.436 1.584) 5.670 3.401 ( -2.883 -0.435 -2.348) 3.744 3.437 ( 4.737 -2.880 2.357) 6.024 3.469 ( -2.071 3.676 0.710) 4.279 3.537 ( -1.455 -2.133 -1.065) 2.793 3.575 ( -3.513 -2.676 -3.703) 5.764 3.631 ( -2.266 1.724 -3.727) 4.691 3.682 ( 3.025 1.461 -1.215) 3.572 3.741 ( 1.581 2.876 -1.075) 3.453 3.818 ( 1.853 4.658 -3.642) 6.196 3.863 ( -5.564 6.497 3.786) 9.354 4.021 ( 0.859 4.730 -2.548) 5.440 4.051 ( -1.403 1.521 1.793) 2.738 4.166 ( 1.348 2.750 4.325) 5.300 4.268 ( -1.901 -0.448 -0.357) 1.985 4.359 ( 0.138 0.225 4.120) 4.128 4.420 ( -0.220 -0.663 -1.528) 1.680 4.487 ( -5.138 -2.680 1.274) 5.934 4.506 ( 1.635 -5.077 -0.540) 5.361 4.617 ( 2.661 -1.599 0.517) 3.147 4.722 ( -1.951 -3.283 -0.154) 3.823 4.727 ( 0.721 -3.421 1.027) 3.644 4.859 ( 0.949 1.108 2.526) 2.917 4.888 ( -0.641 0.982 3.323) 3.524 4.970 ( -0.125 -0.084 2.631) 2.635 5.064 ( -0.574 -3.261 4.651) 5.709 5.129 ( -0.187 -0.902 -2.824) 2.970 5.236 ( -0.408 3.297 -3.494) 4.821 5.278 ( 0.392 2.345 0.282) 2.394 5.391 ( 0.428 -2.615 0.340) 2.672 5.423 ( -0.161 -2.293 2.178) 3.167 5.548 ( 1.203 -0.894 3.971) 4.245 5.587 ( -3.430 -3.552 3.691) 6.165 5.662 ( 1.463 -1.222 -1.772) 2.603 5.799 ( 0.395 -1.870 -3.066) 3.613 5.814 ( 3.526 -4.422 -0.728) 5.702 5.944 ( -2.342 -6.497 4.207) 8.086 6.038 ( 2.243 -1.545 -0.920) 2.874 6.124 ( -0.308 -0.252 -3.024) 3.050 6.162 ( 1.376 -2.298 -0.161) 2.683 6.292 ( 2.705 -5.705 4.702) 7.873 6.427 ( -1.096 -3.415 2.756) 4.523 6.574 ( 0.492 2.338 0.191) 2.397 6.636 ( 0.538 5.659 3.670) 6.767 6.645 ( -0.926 3.214 -2.034) 3.914 6.977 ( 0.641 6.488 -12.389) 14.000 7.967 ( 0.073 -3.681 -0.179) 3.686 7.987 ( -0.307 -1.779 -1.020) 2.073 8.845 ( -0.431 11.605 -1.022) 11.658 9.013 ( 1.943 13.038 -11.007) 17.173 10.139 ( 5.865 -2.503 6.311) 8.972 10.320 ( -1.222 0.211 -4.838) 4.995 10.478 ( -0.552 -0.172 1.020) 1.172 10.518 ( 0.390 0.449 -0.866) 1.051 10.590 ( 0.118 1.585 0.246) 1.608 10.634 ( 13.738 2.745 -3.617) 14.469 10.927 ( 1.548 -2.374 1.983) 3.459 10.976 ( -1.911 -3.748 0.386) 4.224 11.087 ( -2.894 -3.268 0.983) 4.474 11.148 ( -3.925 1.512 -1.733) 4.549 11.378 ( -17.767 -12.219 12.482) 24.915 11.497 ( 6.679 -4.692 0.934) 8.216 ======================= Grid point 72 (30/72) ======================= q-point: ( 0.12 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 7.426 3.462 14.757) 16.879 0.814 ( 6.353 6.754 11.346) 14.653 0.941 ( 5.003 9.847 -8.226) 13.771 1.277 ( 4.451 5.770 -14.988) 16.666 1.534 ( 3.282 2.101 7.005) 8.016 1.702 ( 7.935 9.331 11.476) 16.785 1.708 ( -1.441 -3.339 -0.527) 3.675 1.827 ( -1.707 -1.615 1.944) 3.050 1.923 ( -3.036 3.320 1.584) 4.770 2.019 ( 5.487 -3.015 7.179) 9.526 2.060 ( 2.038 -0.894 3.757) 4.367 2.210 ( -0.554 -2.960 -0.476) 3.049 2.223 ( 7.337 1.950 -11.655) 13.910 2.328 ( -0.023 -3.125 -9.830) 10.315 2.669 ( -1.856 -0.879 4.314) 4.777 2.792 ( -1.847 2.748 -3.761) 5.011 2.931 ( -1.086 -1.823 2.598) 3.355 2.991 ( -0.663 -1.679 -5.717) 5.995 3.039 ( 0.843 2.579 4.613) 5.352 3.056 ( 0.258 0.191 2.399) 2.421 3.145 ( -0.797 3.313 -2.534) 4.246 3.223 ( 3.208 5.812 -0.833) 6.691 3.314 ( -2.822 -1.015 -2.703) 4.037 3.322 ( -2.554 0.441 -2.942) 3.921 3.458 ( -1.983 -0.880 -4.500) 4.996 3.506 ( 3.770 -0.232 4.212) 5.658 3.537 ( -2.292 -0.126 2.516) 3.405 3.568 ( 4.551 -2.422 0.796) 5.216 3.603 ( 3.865 0.561 -0.924) 4.013 3.705 ( 1.512 1.917 -2.333) 3.377 3.730 ( -1.308 4.168 -1.167) 4.521 3.759 ( -3.004 2.709 -1.818) 4.435 3.844 ( -0.785 3.599 1.351) 3.924 4.000 ( -1.762 4.588 0.097) 4.916 4.074 ( -0.658 1.076 2.440) 2.747 4.169 ( 1.148 -0.291 0.951) 1.519 4.249 ( -2.815 -3.844 -2.174) 5.237 4.372 ( 2.015 0.487 3.551) 4.112 4.412 ( -2.967 -1.572 -0.971) 3.495 4.517 ( -1.024 -2.046 1.360) 2.661 4.554 ( 7.173 -0.816 3.106) 7.859 4.622 ( 1.559 1.234 -5.789) 6.121 4.703 ( -1.469 -1.269 2.426) 3.107 4.775 ( 2.415 -0.989 -1.280) 2.907 4.877 ( 0.774 3.292 2.058) 3.959 4.970 ( 3.204 0.701 4.901) 5.898 5.002 ( 1.944 1.576 1.241) 2.793 5.070 ( -0.619 0.100 -1.755) 1.864 5.135 ( -0.787 -6.110 3.888) 7.285 5.215 ( 1.454 0.557 -0.668) 1.694 5.254 ( -3.216 -1.405 -2.804) 4.492 5.386 ( 2.024 -0.330 -1.259) 2.406 5.419 ( -3.342 -2.564 2.807) 5.062 5.497 ( -4.748 -3.320 1.072) 5.892 5.640 ( 0.971 -1.047 4.161) 4.399 5.702 ( 2.347 -0.147 0.841) 2.497 5.782 ( 1.998 -0.433 -3.815) 4.328 5.846 ( 1.980 -3.427 -3.203) 5.092 5.954 ( -1.077 -4.256 3.529) 5.633 6.044 ( -1.972 -1.895 -1.599) 3.168 6.067 ( 0.226 -6.021 -2.332) 6.460 6.167 ( 0.482 0.145 -2.915) 2.958 6.351 ( -2.420 -3.754 1.806) 4.818 6.418 ( -1.217 -6.398 1.589) 6.704 6.567 ( -2.589 2.678 0.462) 3.753 6.598 ( -1.227 2.330 -0.759) 2.740 6.633 ( -4.519 5.872 1.998) 7.675 6.833 ( -3.991 6.811 -5.960) 9.891 7.964 ( -0.445 -3.062 -0.184) 3.099 7.977 ( 0.196 -3.136 -0.021) 3.142 8.807 ( -4.100 12.434 1.099) 13.139 8.893 ( -4.812 9.905 -4.741) 11.989 10.218 ( -1.758 -1.208 -2.501) 3.287 10.252 ( 0.179 -0.586 0.212) 0.649 10.468 ( -0.832 -0.707 -0.203) 1.111 10.508 ( -0.143 0.587 -0.165) 0.626 10.546 ( -0.560 1.709 -2.091) 2.758 10.829 ( 5.344 1.028 -2.983) 6.206 10.886 ( -4.315 -8.319 0.613) 9.392 11.005 ( 1.630 -4.231 -1.191) 4.688 11.087 ( 2.239 -0.013 4.612) 5.127 11.110 ( 0.944 -0.556 2.544) 2.770 11.312 ( -0.301 -0.873 0.932) 1.312 11.646 ( 6.298 -6.947 4.038) 10.210 ======================= Grid point 73 (31/72) ======================= q-point: ( 0.25 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 11.669 14.059 1.092) 18.303 0.976 ( 9.882 7.395 5.363) 13.458 1.166 ( 10.689 4.538 5.125) 12.693 1.208 ( 5.611 4.945 -3.928) 8.448 1.510 ( -4.936 0.331 2.534) 5.559 1.652 ( -3.349 5.783 -3.819) 7.697 1.821 ( 0.726 -4.573 -4.669) 6.576 1.850 ( -0.176 -2.094 5.342) 5.740 1.964 ( -6.121 -5.933 -7.146) 11.124 2.029 ( -3.830 -0.607 0.979) 3.999 2.131 ( 7.545 3.426 4.354) 9.361 2.216 ( 7.131 -1.192 -5.225) 8.921 2.335 ( 9.394 0.550 1.170) 9.483 2.404 ( 7.653 0.490 2.683) 8.124 2.734 ( -1.061 -2.395 -0.037) 2.620 2.750 ( 3.342 3.205 4.429) 6.408 2.876 ( 2.058 0.613 -0.462) 2.196 2.947 ( -1.161 1.800 -2.472) 3.271 3.044 ( -1.788 0.497 -0.475) 1.915 3.105 ( -1.021 0.240 0.956) 1.419 3.141 ( -0.893 1.104 4.611) 4.825 3.209 ( -4.703 0.728 -3.347) 5.818 3.238 ( -0.746 -0.820 -2.970) 3.170 3.325 ( 5.287 3.280 -1.176) 6.332 3.398 ( -0.111 6.458 -2.260) 6.843 3.485 ( -6.120 0.270 3.553) 7.082 3.569 ( -2.994 4.467 -2.441) 5.906 3.613 ( 2.363 -0.057 -1.068) 2.594 3.669 ( 2.640 3.375 1.686) 4.605 3.712 ( 1.116 -0.071 -2.765) 2.983 3.731 ( 3.396 -2.976 -0.719) 4.573 3.768 ( 4.144 0.072 3.772) 5.604 3.848 ( 0.239 1.696 3.187) 3.618 3.987 ( -1.628 1.002 3.513) 4.000 4.053 ( -0.582 6.078 -2.443) 6.576 4.180 ( -1.585 -4.139 -2.802) 5.243 4.226 ( -1.050 -3.127 3.648) 4.918 4.369 ( 0.296 -3.872 1.022) 4.015 4.432 ( 0.696 1.172 0.064) 1.365 4.484 ( -2.175 -2.667 1.650) 3.817 4.553 ( -1.829 -0.773 -5.320) 5.678 4.673 ( 2.259 -4.810 1.341) 5.480 4.685 ( -2.277 -1.313 -1.295) 2.930 4.795 ( 1.988 4.965 -2.295) 5.820 4.949 ( 3.693 3.629 2.484) 5.743 4.981 ( -3.056 -0.471 -0.169) 3.096 5.050 ( -0.391 -0.780 1.703) 1.914 5.098 ( 3.125 -2.739 0.228) 4.162 5.122 ( -1.244 -0.084 -1.568) 2.003 5.192 ( -0.538 -2.044 4.210) 4.711 5.260 ( 2.753 -2.775 -0.997) 4.034 5.395 ( 0.700 -2.081 -1.325) 2.564 5.440 ( -1.720 -2.260 5.480) 6.172 5.453 ( 1.482 -1.160 1.414) 2.354 5.677 ( -0.926 0.189 2.853) 3.006 5.716 ( -0.894 0.373 -1.618) 1.886 5.814 ( 3.537 -0.804 -0.849) 3.725 5.819 ( -1.205 -3.997 0.528) 4.208 5.945 ( -0.671 0.290 -2.682) 2.780 5.980 ( -0.159 -6.185 -4.617) 7.719 6.070 ( -0.505 -3.377 -2.168) 4.045 6.146 ( 0.702 -2.835 -0.543) 2.970 6.255 ( -5.285 -0.485 -3.220) 6.208 6.412 ( -2.020 -4.055 1.450) 4.757 6.506 ( -4.631 3.702 0.947) 6.004 6.547 ( -2.139 3.341 -2.301) 4.586 6.597 ( -1.058 2.136 1.770) 2.969 6.737 ( -4.986 6.647 0.635) 8.334 7.959 ( -0.084 -4.047 0.186) 4.053 7.981 ( -0.003 -2.457 0.098) 2.459 8.732 ( -5.181 11.168 1.199) 12.369 8.772 ( -4.871 8.886 -2.463) 10.429 10.139 ( -0.491 -0.030 -5.145) 5.168 10.269 ( -0.046 -1.226 1.062) 1.623 10.461 ( 0.263 -0.422 0.072) 0.502 10.508 ( 0.340 0.908 -1.149) 1.503 10.525 ( -0.317 0.631 -0.882) 1.130 10.792 ( -6.022 -2.150 5.588) 8.492 10.909 ( 3.151 -2.729 -2.070) 4.654 10.987 ( 1.237 -0.984 -3.448) 3.793 11.156 ( 0.751 -1.392 3.046) 3.432 11.223 ( 5.572 -1.956 4.493) 7.420 11.324 ( 3.264 0.398 -4.531) 5.598 11.759 ( 1.633 -8.050 3.641) 8.985 ======================= Grid point 74 (32/72) ======================= q-point: ( 0.38 0.14 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 6.125 15.980 -3.617) 17.492 1.182 ( 3.424 7.070 5.055) 9.341 1.323 ( 8.018 5.222 2.848) 9.984 1.467 ( 11.927 3.204 4.094) 13.011 1.501 ( 2.221 0.462 4.973) 5.466 1.546 ( -4.797 7.174 0.700) 8.658 1.738 ( -2.208 -2.983 -3.960) 5.427 1.791 ( -6.088 -2.491 -0.677) 6.613 1.839 ( -10.244 -1.934 4.847) 11.496 1.980 ( 2.360 -2.000 -4.295) 5.293 2.262 ( 5.924 0.354 -2.728) 6.532 2.269 ( 7.035 2.038 -10.494) 12.797 2.463 ( 3.423 -6.640 -2.864) 8.001 2.508 ( 3.279 0.440 3.905) 5.118 2.760 ( 2.061 -7.873 -1.148) 8.219 2.871 ( 1.022 3.851 -0.438) 4.008 2.913 ( 3.469 5.679 3.513) 7.525 2.945 ( 0.902 4.505 0.373) 4.609 3.009 ( -2.501 -1.507 -4.009) 4.960 3.041 ( -2.848 0.088 -0.333) 2.869 3.110 ( -1.679 0.321 2.252) 2.828 3.165 ( 0.010 3.772 0.459) 3.800 3.228 ( -2.325 0.484 3.755) 4.443 3.363 ( 2.171 1.506 -4.105) 4.882 3.383 ( -2.558 3.234 -0.175) 4.127 3.453 ( -1.398 4.485 1.116) 4.829 3.518 ( 1.936 8.740 1.304) 9.046 3.619 ( 1.143 0.929 -1.363) 2.007 3.707 ( 1.216 -1.218 -1.122) 2.054 3.722 ( 0.870 2.948 2.539) 3.987 3.780 ( 3.530 -4.146 -2.226) 5.883 3.865 ( 1.210 1.003 1.587) 2.234 3.915 ( 2.148 0.278 3.788) 4.364 3.974 ( -2.336 -2.934 2.071) 4.285 4.017 ( -2.182 3.562 -1.368) 4.395 4.145 ( 0.281 -1.855 -1.831) 2.621 4.202 ( -2.160 1.908 1.067) 3.073 4.366 ( -0.642 -2.322 -1.174) 2.680 4.438 ( -2.891 -3.948 2.392) 5.447 4.472 ( -0.873 -2.204 -1.122) 2.623 4.544 ( 2.729 -3.275 5.150) 6.685 4.632 ( 1.533 -2.641 -4.429) 5.380 4.683 ( -0.898 0.858 -0.681) 1.416 4.796 ( 0.731 1.220 -0.488) 1.504 4.901 ( -3.256 -3.816 -1.004) 5.116 4.996 ( -0.620 -3.093 0.612) 3.213 5.065 ( -2.058 2.852 7.393) 8.187 5.114 ( -1.251 -2.584 -2.065) 3.536 5.122 ( 1.945 -5.379 -2.508) 6.246 5.242 ( 0.960 1.474 3.019) 3.494 5.282 ( 2.305 -0.883 -2.755) 3.699 5.401 ( 0.151 2.451 -0.995) 2.649 5.451 ( -0.457 -0.920 1.896) 2.156 5.506 ( -1.066 -0.828 2.401) 2.755 5.646 ( 0.350 1.942 -0.554) 2.050 5.730 ( 2.112 -5.025 0.233) 5.456 5.800 ( -1.563 -3.391 0.028) 3.734 5.888 ( 2.929 -0.323 0.697) 3.028 5.909 ( 0.089 -2.332 -3.164) 3.932 5.949 ( 1.612 -2.400 -5.599) 6.301 6.009 ( -0.973 -4.053 0.048) 4.169 6.153 ( -3.115 1.228 -0.388) 3.371 6.179 ( 0.691 -4.951 1.072) 5.113 6.363 ( -3.655 2.050 -0.286) 4.200 6.457 ( -1.290 0.162 0.671) 1.463 6.518 ( -0.505 1.534 0.132) 1.621 6.594 ( -0.561 3.211 0.308) 3.274 6.656 ( -4.627 5.279 0.072) 7.020 7.960 ( -0.104 -4.163 0.212) 4.170 7.979 ( -0.119 -2.086 -0.173) 2.097 8.664 ( -3.645 9.911 1.167) 10.624 8.684 ( -2.584 8.347 -1.473) 8.861 10.124 ( 2.217 -0.153 -1.389) 2.621 10.273 ( -0.251 -2.068 0.234) 2.097 10.480 ( 1.005 -0.653 0.132) 1.205 10.492 ( -0.399 0.707 0.131) 0.822 10.519 ( 0.369 0.636 -0.866) 1.136 10.740 ( -5.072 -1.114 2.964) 5.979 10.925 ( -0.081 1.067 0.216) 1.091 10.987 ( 2.996 -1.949 -5.074) 6.207 11.188 ( -0.414 -1.614 2.904) 3.348 11.329 ( 2.970 0.470 -3.829) 4.868 11.365 ( 4.413 -3.091 4.465) 6.997 11.771 ( -1.987 -7.007 0.257) 7.288 ======================= Grid point 75 (33/72) ======================= q-point: (-0.50 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.932 7.127 0.431) 7.200 1.193 ( 1.181 12.297 0.403) 12.360 1.406 ( -7.709 -2.080 -4.557) 9.193 1.438 ( 0.467 3.604 -1.747) 4.032 1.507 ( -2.135 2.413 7.700) 8.347 1.656 ( -10.976 1.493 3.426) 11.595 1.747 ( 7.959 9.235 7.794) 14.470 1.837 ( 4.071 -1.900 6.849) 8.191 1.863 ( 10.858 -0.204 10.191) 14.893 1.948 ( 1.173 -0.016 -7.094) 7.191 2.212 ( -1.416 1.629 -12.792) 12.973 2.231 ( -3.339 1.388 -6.694) 7.608 2.456 ( -2.231 -4.314 -5.939) 7.672 2.603 ( 0.526 -1.172 -6.415) 6.543 2.659 ( -2.288 -0.349 1.446) 2.729 2.846 ( -2.904 0.499 -4.077) 5.030 2.926 ( 1.520 1.240 1.127) 2.262 2.976 ( 4.735 2.110 3.584) 6.302 2.985 ( -3.418 -1.057 1.053) 3.730 3.110 ( -1.545 -1.041 0.776) 2.018 3.123 ( 5.707 -0.097 5.295) 7.785 3.169 ( -0.399 1.193 0.356) 1.307 3.203 ( -1.685 4.546 1.073) 4.966 3.345 ( -1.500 -1.245 1.255) 2.318 3.381 ( 1.425 4.431 -1.697) 4.953 3.424 ( -0.110 4.510 -3.375) 5.635 3.538 ( 0.570 6.752 -2.066) 7.084 3.621 ( 1.019 -0.262 -3.248) 3.414 3.718 ( -2.529 3.220 -0.519) 4.127 3.730 ( 1.034 -3.098 -0.360) 3.286 3.806 ( 1.978 -0.633 -1.372) 2.489 3.858 ( -2.663 1.339 -0.866) 3.104 3.937 ( -3.153 -1.640 4.325) 5.598 3.978 ( -1.145 -1.822 3.348) 3.980 4.036 ( 3.664 -1.245 3.543) 5.246 4.145 ( 1.887 -1.473 -1.157) 2.659 4.209 ( -0.073 4.690 3.123) 5.635 4.381 ( 3.113 -0.999 -1.369) 3.545 4.393 ( -0.355 -3.425 1.985) 3.975 4.458 ( -1.785 -2.306 0.509) 2.960 4.570 ( -3.444 -4.413 1.244) 5.734 4.667 ( 2.592 -0.973 -3.347) 4.344 4.676 ( 1.921 0.660 0.840) 2.198 4.830 ( -1.671 -3.672 1.342) 4.252 4.881 ( 2.939 -1.403 4.305) 5.398 4.979 ( -2.823 -1.504 -1.007) 3.354 5.041 ( 0.720 -3.529 -2.886) 4.616 5.087 ( -2.268 -1.536 1.825) 3.291 5.147 ( 1.339 0.182 1.791) 2.243 5.232 ( -3.169 1.949 -0.626) 3.773 5.311 ( 2.436 2.370 -1.051) 3.558 5.350 ( -2.284 0.903 -2.737) 3.677 5.454 ( 0.174 0.121 -0.501) 0.544 5.473 ( -2.918 -1.607 -0.689) 3.402 5.687 ( -1.940 -2.248 2.018) 3.590 5.714 ( -1.358 -1.307 -0.130) 1.889 5.775 ( -0.034 -4.294 -0.933) 4.395 5.860 ( 0.046 -0.249 -2.852) 2.863 5.935 ( 3.343 2.371 -3.596) 5.452 5.963 ( 3.819 -6.114 -0.073) 7.209 6.085 ( 4.149 -3.834 4.031) 6.940 6.124 ( -0.282 -1.350 0.059) 1.381 6.194 ( -0.530 -3.710 1.758) 4.140 6.313 ( -0.918 2.214 -1.204) 2.683 6.457 ( -0.035 -0.745 1.683) 1.841 6.532 ( 1.077 2.771 1.678) 3.414 6.569 ( -1.892 2.210 -2.244) 3.674 6.596 ( -0.358 4.351 -1.117) 4.506 7.959 ( -0.138 -3.573 0.167) 3.580 7.975 ( 0.005 -2.261 -0.355) 2.288 8.631 ( -1.047 9.676 0.698) 9.757 8.664 ( 1.478 7.737 -0.578) 7.898 10.174 ( 2.551 -0.783 2.021) 3.347 10.261 ( -0.875 -2.023 -1.050) 2.441 10.466 ( -0.674 0.319 -0.176) 0.766 10.509 ( 0.701 0.339 -1.536) 1.723 10.550 ( 2.332 -0.892 3.516) 4.313 10.666 ( -4.311 -0.319 -0.889) 4.414 10.918 ( -0.733 2.269 0.084) 2.385 10.983 ( 1.596 -0.996 -4.267) 4.663 11.198 ( -1.520 -1.311 2.557) 3.251 11.322 ( 0.372 -1.669 -3.345) 3.757 11.485 ( 2.781 -3.209 6.517) 7.778 11.713 ( -2.554 -5.528 -3.275) 6.914 ======================= Grid point 76 (34/72) ======================= q-point: (-0.38 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -11.421 4.101 -4.781) 13.043 1.291 ( 6.143 4.206 0.853) 7.494 1.331 ( -10.060 7.335 4.064) 13.097 1.346 ( -7.222 6.356 9.370) 13.429 1.493 ( 1.526 -1.732 5.740) 6.187 1.643 ( 2.800 1.619 2.778) 4.264 1.813 ( -4.794 -0.489 -9.825) 10.943 1.903 ( -5.134 2.134 3.194) 6.412 1.969 ( -2.006 7.114 2.784) 7.898 2.006 ( -5.240 -1.448 -10.799) 12.090 2.111 ( 4.499 2.571 -6.806) 8.555 2.166 ( 4.793 1.707 11.964) 13.001 2.275 ( -4.511 -1.627 -5.802) 7.527 2.417 ( -3.497 2.245 -7.709) 8.758 2.733 ( 0.464 -3.286 5.070) 6.060 2.834 ( 0.908 -2.079 -2.076) 3.075 2.914 ( -2.266 1.471 1.210) 2.960 2.997 ( 1.510 1.330 -0.044) 2.012 3.026 ( -4.366 0.251 -3.809) 5.799 3.091 ( 1.102 -0.861 4.109) 4.340 3.154 ( -2.128 0.678 2.399) 3.277 3.207 ( 2.004 6.877 0.145) 7.164 3.248 ( 2.096 -1.697 -3.518) 4.432 3.298 ( 3.107 -2.590 0.948) 4.155 3.375 ( 0.027 1.552 1.225) 1.978 3.428 ( 2.189 6.599 -0.270) 6.957 3.581 ( 3.899 -0.417 -2.935) 4.897 3.617 ( 2.151 -0.622 -2.607) 3.437 3.694 ( -1.101 0.483 1.634) 2.029 3.723 ( 0.247 -0.287 -0.089) 0.389 3.770 ( -4.647 1.691 -1.394) 5.138 3.820 ( -1.244 0.271 1.660) 2.093 3.948 ( -0.547 -2.141 5.896) 6.297 3.985 ( -2.134 0.563 3.060) 3.773 4.082 ( 0.398 0.927 -0.804) 1.290 4.182 ( 2.652 -1.089 -1.084) 3.065 4.229 ( -0.692 0.030 4.160) 4.217 4.361 ( -5.257 -4.039 -5.354) 8.521 4.413 ( -0.581 2.355 0.753) 2.539 4.492 ( 4.143 0.327 -2.705) 4.959 4.544 ( 1.215 -3.148 4.897) 5.947 4.652 ( 1.589 -0.786 -4.820) 5.135 4.724 ( -0.701 -1.579 4.839) 5.138 4.809 ( -0.839 -4.185 -0.282) 4.278 4.904 ( -2.167 1.798 -2.087) 3.504 4.988 ( 3.965 0.573 1.683) 4.345 5.026 ( -2.584 -3.466 -0.518) 4.354 5.051 ( -0.898 -4.457 -2.382) 5.132 5.159 ( -5.046 2.049 1.796) 5.734 5.217 ( 2.255 1.218 5.714) 6.263 5.297 ( 0.204 3.063 -2.491) 3.954 5.350 ( 1.754 1.165 -0.683) 2.214 5.406 ( -2.118 -0.555 -0.550) 2.258 5.461 ( 0.629 -2.089 0.580) 2.258 5.587 ( -6.101 -1.166 1.665) 6.431 5.735 ( 0.174 -2.438 -0.322) 2.465 5.768 ( -1.571 -4.590 -0.557) 4.884 5.860 ( 1.998 -2.304 0.672) 3.122 5.980 ( 3.354 0.349 -2.309) 4.087 6.011 ( 3.825 -1.079 -4.351) 5.893 6.105 ( -0.808 -5.208 -1.072) 5.378 6.185 ( 3.989 -2.358 -1.317) 4.818 6.196 ( -1.660 -2.279 3.073) 4.171 6.304 ( 1.298 -0.697 -1.212) 1.908 6.495 ( 1.031 0.841 1.840) 2.271 6.530 ( 1.090 1.371 -0.097) 1.754 6.563 ( 0.435 3.856 -0.499) 3.912 6.630 ( 5.560 4.416 0.265) 7.105 7.961 ( 0.072 -2.922 0.440) 2.956 7.972 ( 0.131 -2.745 -0.404) 2.777 8.646 ( 2.363 10.768 0.302) 11.028 8.717 ( 4.773 7.694 -0.615) 9.075 10.213 ( -2.106 -1.318 -3.644) 4.411 10.237 ( 1.828 -1.199 2.378) 3.230 10.463 ( 0.016 0.084 0.692) 0.697 10.506 ( 0.854 0.788 -1.584) 1.964 10.573 ( -2.844 -0.356 -2.431) 3.759 10.643 ( 1.574 -1.971 5.242) 5.817 10.907 ( -0.004 1.945 -0.693) 2.065 10.966 ( 0.322 0.378 -2.420) 2.471 11.183 ( -2.750 -0.334 2.221) 3.551 11.279 ( -2.246 -2.520 -1.807) 3.829 11.580 ( -0.387 -5.870 6.858) 9.035 11.631 ( -1.300 -4.401 -4.655) 6.537 ======================= Grid point 77 (35/72) ======================= q-point: (-0.25 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -11.350 12.914 1.638) 17.270 1.026 ( -20.831 11.221 5.000) 24.184 1.391 ( -9.549 1.855 0.618) 9.747 1.469 ( 3.985 2.199 3.682) 5.854 1.558 ( -13.966 5.953 4.419) 15.812 1.571 ( -2.717 -1.814 -1.231) 3.491 1.641 ( 4.049 -3.802 -4.129) 6.920 1.732 ( -5.223 3.473 -4.213) 7.556 1.840 ( 2.002 -1.282 1.702) 2.924 1.875 ( -1.797 1.781 -8.457) 8.827 2.136 ( -8.014 0.412 3.998) 8.966 2.267 ( 3.436 -0.057 2.293) 4.132 2.324 ( 2.679 -4.024 0.157) 4.837 2.424 ( 5.423 1.558 -1.752) 5.908 2.695 ( -2.794 -7.838 3.120) 8.887 2.875 ( -0.655 2.919 0.043) 2.992 2.910 ( 1.262 1.297 -1.557) 2.387 2.925 ( 0.709 3.041 0.322) 3.139 3.009 ( 0.538 2.755 1.975) 3.432 3.106 ( 1.122 0.432 -0.823) 1.457 3.151 ( -0.423 2.690 -1.224) 2.985 3.250 ( -0.889 3.788 1.266) 4.092 3.262 ( 3.527 -0.590 -1.439) 3.854 3.360 ( -0.605 -0.821 -3.704) 3.842 3.407 ( 4.274 -1.426 1.128) 4.645 3.470 ( 2.207 5.074 0.527) 5.558 3.574 ( -1.214 -1.462 -0.340) 1.931 3.630 ( 1.892 -3.290 -2.352) 4.465 3.666 ( -4.267 -0.701 -0.092) 4.325 3.696 ( -0.499 -1.427 0.298) 1.541 3.769 ( 0.790 0.505 3.162) 3.298 3.843 ( 0.222 7.057 5.246) 8.796 3.953 ( -2.998 0.555 -1.702) 3.491 4.017 ( 1.921 -2.757 4.342) 5.490 4.054 ( -1.465 2.108 -0.893) 2.718 4.140 ( -3.753 3.486 -6.996) 8.671 4.235 ( -0.411 2.108 0.158) 2.153 4.317 ( 4.833 -1.520 2.669) 5.727 4.392 ( -2.078 3.331 -0.026) 3.926 4.475 ( -2.716 -0.665 -1.120) 3.012 4.609 ( 4.397 -3.280 -2.098) 5.873 4.672 ( -0.262 -4.193 0.682) 4.256 4.756 ( 0.128 -2.407 -7.402) 7.785 4.761 ( -2.505 -2.966 10.279) 10.988 4.886 ( -1.117 -2.781 0.535) 3.044 4.920 ( -4.503 -3.997 -2.960) 6.709 4.974 ( -3.790 -3.136 1.347) 5.101 5.074 ( -2.031 -0.017 2.532) 3.246 5.138 ( 1.632 -0.303 2.431) 2.944 5.257 ( 0.009 5.049 -3.171) 5.963 5.325 ( 1.000 2.605 1.828) 3.336 5.350 ( 0.970 2.648 1.204) 3.066 5.432 ( 3.010 2.177 2.603) 4.536 5.505 ( 0.915 -5.217 3.156) 6.166 5.539 ( -2.834 -2.766 5.202) 6.537 5.680 ( -5.121 -5.662 -5.627) 9.484 5.730 ( 0.966 -5.660 -1.798) 6.016 5.909 ( 0.421 -0.976 0.792) 1.325 5.961 ( -0.117 -3.094 -4.790) 5.704 6.020 ( 0.428 -3.221 -2.462) 4.077 6.084 ( 1.790 -0.364 -3.447) 3.902 6.180 ( -0.390 1.887 -0.227) 1.940 6.231 ( 2.748 -3.513 -2.909) 5.325 6.338 ( 1.308 -4.014 3.231) 5.316 6.509 ( 1.817 2.020 -0.993) 2.893 6.564 ( 1.190 3.990 -1.169) 4.324 6.599 ( 3.144 3.172 1.827) 4.825 6.777 ( 10.081 6.977 0.557) 12.272 7.968 ( 0.185 -2.924 0.254) 2.940 7.974 ( 0.436 -2.757 0.045) 2.791 8.727 ( 6.516 13.397 0.865) 14.923 8.800 ( 5.913 8.969 -2.422) 11.012 10.115 ( -3.329 -0.113 -6.042) 6.899 10.282 ( 1.622 -0.984 0.882) 2.092 10.472 ( -0.150 -0.628 0.160) 0.665 10.506 ( -0.055 1.409 -0.535) 1.508 10.518 ( 0.417 0.833 -2.697) 2.854 10.695 ( -2.756 -2.319 6.169) 7.143 10.914 ( 1.522 -0.711 -1.040) 1.975 10.953 ( 0.337 0.911 -0.824) 1.274 11.150 ( -2.861 1.546 1.725) 3.681 11.225 ( -2.512 -2.556 0.242) 3.591 11.516 ( -2.254 -4.656 -6.434) 8.256 11.659 ( -3.182 -11.181 9.261) 14.863 ======================= Grid point 78 (36/72) ======================= q-point: (-0.12 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -8.874 18.342 9.643) 22.543 0.746 ( -16.929 16.183 9.089) 25.121 0.980 ( -20.715 18.385 7.073) 28.586 1.361 ( -0.387 -2.036 -16.091) 16.224 1.430 ( -8.093 0.064 -10.502) 13.259 1.638 ( -1.977 -0.569 7.876) 8.140 1.690 ( 3.728 -8.788 3.822) 10.283 1.761 ( 6.676 -4.685 6.396) 10.365 1.820 ( 2.180 0.766 -1.421) 2.713 1.992 ( -1.582 -0.106 8.263) 8.414 2.046 ( -1.845 1.816 3.054) 4.004 2.171 ( -9.317 -2.118 -0.491) 9.567 2.320 ( 0.584 -8.939 -4.562) 10.053 2.524 ( 7.152 2.492 -6.794) 10.174 2.742 ( 0.349 -5.278 1.570) 5.518 2.828 ( -1.964 3.991 -2.060) 4.902 2.893 ( 1.393 1.992 -4.973) 5.535 2.979 ( 0.270 0.454 4.274) 4.307 3.065 ( 0.635 2.833 3.492) 4.541 3.097 ( -1.885 2.896 -4.543) 5.708 3.154 ( 2.648 3.189 3.135) 5.197 3.218 ( 0.656 0.591 -1.432) 1.682 3.266 ( -1.366 -1.910 -4.178) 4.792 3.348 ( 4.546 2.240 -2.335) 5.580 3.444 ( 0.752 1.297 -2.917) 3.280 3.511 ( -1.010 3.105 3.496) 4.783 3.566 ( -0.912 -0.613 -0.142) 1.109 3.611 ( 0.059 0.649 0.578) 0.871 3.660 ( 1.524 -1.038 1.027) 2.111 3.676 ( -0.900 -3.376 -3.242) 4.766 3.757 ( -1.767 0.493 -3.368) 3.835 3.843 ( -1.228 3.021 -2.720) 4.247 3.887 ( -2.935 5.726 2.986) 7.093 4.045 ( -0.235 5.365 -3.223) 6.263 4.059 ( 1.792 5.141 -0.382) 5.457 4.096 ( -0.133 0.047 4.450) 4.452 4.272 ( 0.842 2.957 5.414) 6.226 4.342 ( -3.157 1.226 -1.319) 3.634 4.409 ( 3.290 -1.172 0.729) 3.568 4.460 ( 1.164 -5.908 4.038) 7.250 4.612 ( -2.408 -4.249 -5.069) 7.039 4.623 ( -4.524 -5.321 -2.381) 7.379 4.695 ( 3.305 -3.843 -1.001) 5.167 4.812 ( -6.147 -8.182 4.537) 11.195 4.841 ( -2.755 -1.246 2.182) 3.729 4.895 ( -1.054 -1.082 1.407) 2.064 4.939 ( -0.336 -2.712 3.169) 4.184 5.052 ( -3.610 -1.814 4.857) 6.318 5.177 ( 0.017 -1.063 -1.800) 2.091 5.233 ( 1.460 5.552 -1.885) 6.042 5.341 ( 0.533 3.743 1.380) 4.025 5.376 ( -7.422 -5.947 -6.607) 11.580 5.388 ( 0.974 0.392 0.818) 1.331 5.507 ( 0.238 0.643 1.704) 1.837 5.585 ( -0.878 -3.983 4.337) 5.953 5.640 ( 2.280 -0.240 6.660) 7.043 5.738 ( 2.214 -6.491 -1.344) 6.989 5.844 ( -1.530 -0.647 -4.597) 4.888 5.954 ( -2.017 -4.000 2.287) 5.030 6.013 ( 2.002 -3.212 -1.959) 4.262 6.088 ( 2.881 2.171 -2.858) 4.602 6.180 ( -0.856 0.577 0.731) 1.265 6.240 ( 2.302 -3.160 -2.751) 4.780 6.396 ( 0.434 -3.408 4.539) 5.692 6.547 ( 2.734 2.933 -0.376) 4.027 6.585 ( 1.946 4.191 0.254) 4.628 6.651 ( 1.610 3.902 -0.275) 4.231 6.956 ( 11.114 8.279 -5.463) 14.896 7.970 ( 0.027 -4.461 -0.281) 4.470 7.988 ( 0.834 -1.050 -0.156) 1.350 8.840 ( 2.836 9.118 -1.144) 9.617 8.924 ( 15.141 17.911 -5.878) 24.179 10.022 ( -1.278 1.966 0.264) 2.360 10.323 ( 3.735 0.727 -1.712) 4.172 10.455 ( -0.307 0.121 -0.301) 0.447 10.501 ( 0.238 2.295 -1.062) 2.540 10.523 ( 0.880 1.028 -0.045) 1.354 10.668 ( -4.923 -0.417 3.329) 5.957 10.915 ( -0.269 -1.746 -0.352) 1.801 10.967 ( 0.766 -2.425 0.792) 2.664 11.124 ( -1.308 0.680 0.058) 1.476 11.199 ( -1.603 0.166 0.673) 1.746 11.440 ( 1.144 -4.034 -4.686) 6.288 11.613 ( -15.133 -21.059 10.660) 28.038 ======================= Grid point 79 (37/72) ======================= q-point: ( 0.00 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -13.207 8.987 14.926) 21.863 0.996 ( -2.863 18.603 6.244) 19.831 1.154 ( 2.075 2.094 -11.262) 11.641 1.343 ( 0.980 4.927 -2.653) 5.681 1.488 ( 0.574 -7.080 3.369) 7.861 1.600 ( 0.838 -3.922 -2.387) 4.667 1.707 ( 6.694 9.982 6.830) 13.824 1.804 ( 2.358 -0.638 5.310) 5.845 1.855 ( 1.270 1.677 7.304) 7.601 1.945 ( 0.509 -0.294 1.811) 1.904 2.005 ( -5.411 2.040 -2.637) 6.356 2.143 ( 0.363 -2.700 -0.307) 2.741 2.220 ( 3.862 -3.604 1.173) 5.411 2.443 ( -5.536 -0.814 -13.363) 14.487 2.693 ( -2.789 1.871 4.212) 5.387 2.860 ( 2.544 2.248 -3.494) 4.871 2.949 ( 3.572 0.979 -2.519) 4.479 3.017 ( -0.480 -2.086 -6.079) 6.444 3.059 ( -0.043 0.119 4.148) 4.150 3.119 ( -1.739 1.197 2.280) 3.107 3.207 ( 0.672 -0.610 -4.675) 4.762 3.249 ( 2.906 -0.812 4.912) 5.765 3.271 ( -2.096 4.225 -0.976) 4.817 3.377 ( -2.816 -1.089 0.664) 3.091 3.439 ( -1.597 1.680 -0.463) 2.364 3.458 ( -0.008 -2.171 -3.721) 4.308 3.555 ( 1.897 4.645 -1.229) 5.166 3.603 ( -1.741 3.590 -0.615) 4.037 3.666 ( -0.091 0.833 -2.623) 2.754 3.758 ( 0.781 6.728 -3.107) 7.452 3.819 ( -0.379 4.394 0.993) 4.521 3.873 ( 2.652 0.932 1.256) 3.079 3.988 ( -1.109 5.144 -0.147) 5.264 4.096 ( -3.582 1.949 -2.808) 4.951 4.159 ( -5.134 6.371 0.023) 8.182 4.203 ( -0.385 2.300 -0.701) 2.435 4.277 ( -0.961 1.889 -1.842) 2.808 4.336 ( 1.686 -0.184 0.569) 1.788 4.381 ( -0.498 -3.112 0.414) 3.179 4.419 ( 0.494 -3.396 0.659) 3.495 4.495 ( 3.636 -0.707 0.583) 3.750 4.573 ( 3.540 0.847 6.636) 7.568 4.631 ( -0.948 -4.945 -0.022) 5.036 4.683 ( 1.164 -2.263 1.059) 2.757 4.845 ( 0.714 -4.112 4.048) 5.814 4.892 ( 0.556 0.454 1.479) 1.645 4.962 ( -0.586 -5.451 2.893) 6.199 5.028 ( 0.014 3.463 4.408) 5.606 5.066 ( 0.320 -5.514 -3.807) 6.708 5.225 ( -0.748 -2.013 -2.380) 3.206 5.332 ( -2.194 -2.617 1.219) 3.626 5.376 ( -0.166 4.896 -4.002) 6.326 5.399 ( 2.478 -1.168 -1.758) 3.255 5.493 ( 0.557 -4.305 2.456) 4.988 5.501 ( -3.176 -1.274 5.641) 6.598 5.635 ( 3.200 -1.946 -1.689) 4.109 5.711 ( -0.864 -4.019 1.188) 4.279 5.770 ( 0.461 -2.334 1.872) 3.027 5.859 ( 0.089 -2.553 0.484) 2.600 5.969 ( -0.003 -2.600 2.712) 3.757 6.060 ( -0.350 -4.344 -5.098) 6.707 6.191 ( 1.112 0.919 -2.825) 3.172 6.220 ( 1.128 -0.839 3.440) 3.716 6.350 ( -1.050 -3.477 3.196) 4.838 6.635 ( -0.067 3.231 -0.475) 3.266 6.694 ( -1.007 1.809 -1.260) 2.423 6.766 ( 0.449 5.838 2.123) 6.229 7.011 ( -0.443 -1.348 -6.720) 6.868 7.912 ( 0.491 -1.036 0.664) 1.325 7.965 ( -0.476 -0.868 -1.502) 1.799 9.051 ( -0.034 7.931 -0.034) 7.931 9.183 ( 0.333 3.914 -6.532) 7.622 10.136 ( 2.717 1.901 4.413) 5.520 10.296 ( -0.886 -1.938 -3.145) 3.799 10.493 ( -1.327 1.357 0.590) 1.988 10.537 ( -0.579 1.128 -1.607) 2.047 10.608 ( -0.700 0.061 0.310) 0.768 10.673 ( 10.883 0.738 -5.199) 12.083 10.874 ( 1.315 -1.539 1.073) 2.292 10.917 ( -6.220 -2.338 -0.636) 6.675 11.035 ( -3.919 -1.041 4.609) 6.139 11.145 ( -4.008 -2.052 2.155) 4.992 11.231 ( -1.882 -2.886 4.357) 5.554 11.382 ( 4.698 -5.829 -0.452) 7.500 ======================= Grid point 80 (38/72) ======================= q-point: ( 0.12 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 5.713 7.941 11.607) 15.180 1.054 ( 2.470 14.236 6.915) 16.019 1.199 ( 10.786 10.876 -3.854) 15.795 1.372 ( 3.911 4.825 -1.382) 6.363 1.501 ( 0.142 -3.832 -0.533) 3.872 1.601 ( 2.279 -5.431 -2.994) 6.607 1.795 ( -2.098 0.488 -2.421) 3.240 1.885 ( 2.056 -0.278 -1.171) 2.383 1.952 ( -1.317 -2.299 -1.058) 2.853 1.982 ( 1.977 0.982 9.183) 9.445 2.049 ( 6.182 0.138 5.389) 8.203 2.156 ( 1.636 -0.127 3.011) 3.429 2.272 ( 4.403 -1.065 -4.244) 6.207 2.283 ( 4.236 2.564 -7.250) 8.780 2.694 ( -2.186 3.593 7.587) 8.674 2.867 ( -0.389 2.747 -2.173) 3.524 2.897 ( -1.162 -0.038 -6.744) 6.844 2.967 ( 0.436 1.962 -4.911) 5.306 3.046 ( -2.521 -1.159 0.550) 2.828 3.156 ( 1.628 4.191 4.901) 6.651 3.196 ( -0.858 1.278 -2.371) 2.827 3.255 ( 0.616 -2.508 1.187) 2.842 3.307 ( -3.796 0.068 -3.774) 5.353 3.340 ( 2.649 2.632 0.806) 3.820 3.423 ( 1.828 -2.381 2.963) 4.218 3.467 ( 2.375 -0.163 -0.777) 2.504 3.548 ( -0.467 2.115 0.988) 2.381 3.611 ( 1.187 2.147 -1.869) 3.084 3.636 ( -0.416 2.885 1.161) 3.137 3.742 ( 1.596 4.091 -2.369) 4.989 3.820 ( -0.830 4.029 1.049) 4.245 3.885 ( -2.078 5.177 -4.944) 7.454 3.909 ( -4.902 4.536 1.747) 6.904 4.056 ( -3.503 -0.772 2.651) 4.460 4.106 ( -1.036 3.380 2.566) 4.368 4.150 ( -1.561 0.912 -2.011) 2.705 4.269 ( 0.257 4.190 -0.804) 4.274 4.324 ( -3.189 -2.293 0.778) 4.004 4.411 ( 2.371 -2.434 -1.307) 3.641 4.445 ( 2.922 -2.604 0.397) 3.934 4.565 ( 1.018 0.971 1.071) 1.768 4.594 ( -0.104 -4.355 -3.373) 5.510 4.682 ( -0.605 -0.324 1.131) 1.323 4.736 ( 5.859 -2.734 0.864) 6.523 4.885 ( -0.174 -8.403 1.949) 8.627 4.936 ( 4.201 1.327 2.622) 5.127 4.994 ( 0.726 -4.754 0.194) 4.813 5.046 ( 0.558 -2.133 -0.576) 2.279 5.099 ( 0.087 0.915 6.925) 6.986 5.185 ( 0.586 -0.299 -3.799) 3.856 5.277 ( -4.541 1.607 -4.358) 6.496 5.298 ( -1.003 -2.199 -1.141) 2.673 5.412 ( -2.829 -1.460 2.132) 3.832 5.474 ( -1.060 0.017 0.751) 1.299 5.570 ( 2.753 -1.494 3.538) 4.726 5.680 ( -0.228 -2.988 0.661) 3.069 5.730 ( 2.712 -4.110 0.436) 4.943 5.791 ( 4.493 -2.550 -5.122) 7.275 5.877 ( -0.982 -1.322 5.590) 5.828 5.949 ( -1.131 -5.431 -4.557) 7.179 6.021 ( -2.747 -0.733 1.940) 3.442 6.169 ( 0.281 -1.040 -3.368) 3.536 6.287 ( 0.728 -1.921 5.521) 5.891 6.326 ( -2.651 -2.065 -2.137) 3.982 6.623 ( -1.761 2.484 0.876) 3.168 6.639 ( -2.556 1.819 -0.867) 3.255 6.753 ( -4.783 4.904 1.579) 7.030 6.910 ( -3.409 0.970 -4.039) 5.374 7.929 ( -0.168 -0.665 0.196) 0.713 7.934 ( -0.477 -0.811 -0.642) 1.140 9.023 ( -3.706 7.810 0.892) 8.690 9.076 ( -5.260 6.391 -4.113) 9.242 10.203 ( -0.569 0.030 0.254) 0.624 10.243 ( -0.293 -0.296 -1.330) 1.394 10.466 ( -1.636 0.673 0.401) 1.814 10.523 ( 0.025 0.725 -0.066) 0.728 10.568 ( -1.488 0.444 -1.894) 2.449 10.716 ( -2.631 -6.561 -1.505) 7.227 10.866 ( 2.036 2.008 -0.024) 2.860 10.954 ( 5.233 -0.710 0.395) 5.296 11.065 ( 0.360 -1.236 5.825) 5.966 11.130 ( 1.559 1.208 -0.873) 2.157 11.260 ( 1.426 -3.339 1.405) 3.893 11.476 ( 5.382 -8.556 0.405) 10.117 ======================= Grid point 81 (39/72) ======================= q-point: ( 0.25 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 11.695 4.837 8.323) 15.147 1.209 ( 5.825 6.838 8.558) 12.407 1.359 ( 4.202 6.040 -3.462) 8.131 1.441 ( 8.740 19.827 3.716) 21.984 1.531 ( 2.327 1.340 1.268) 2.970 1.667 ( 10.420 -5.298 -5.366) 12.863 1.736 ( -2.430 -0.522 -5.953) 6.451 1.785 ( -3.163 -8.670 -4.625) 10.323 1.855 ( -4.597 0.399 -0.752) 4.675 2.029 ( -2.774 2.786 -2.617) 4.723 2.204 ( 7.177 -2.058 -1.680) 7.653 2.225 ( 3.274 2.965 3.777) 5.812 2.335 ( 5.227 1.114 -1.949) 5.689 2.416 ( 6.538 1.047 3.215) 7.361 2.725 ( -3.386 2.263 -2.173) 4.616 2.844 ( 3.133 3.976 3.705) 6.273 2.877 ( 5.771 0.573 0.913) 5.871 2.964 ( 1.151 -0.470 -1.848) 2.227 3.035 ( -1.469 -0.907 2.017) 2.655 3.121 ( -6.260 -0.483 1.809) 6.534 3.174 ( -1.952 1.201 -2.904) 3.699 3.194 ( -2.541 -1.788 -3.908) 4.993 3.289 ( 0.302 6.789 3.561) 7.672 3.392 ( 4.160 1.902 -2.886) 5.408 3.478 ( -1.284 0.674 2.058) 2.517 3.526 ( 5.058 -4.259 -1.125) 6.708 3.581 ( -0.257 3.895 0.742) 3.973 3.603 ( 2.043 0.385 1.562) 2.600 3.660 ( 0.992 -0.551 -0.473) 1.229 3.761 ( 0.533 4.519 -0.612) 4.591 3.800 ( 0.268 7.328 -1.723) 7.533 3.840 ( 1.149 2.355 1.664) 3.104 3.877 ( -1.515 2.066 4.445) 5.130 3.976 ( -6.672 -0.020 3.230) 7.413 4.128 ( 0.892 2.720 -0.488) 2.904 4.153 ( -0.965 1.709 3.352) 3.884 4.238 ( -0.701 2.164 -1.349) 2.645 4.311 ( -1.342 -0.105 2.348) 2.707 4.397 ( -2.120 -4.092 -0.047) 4.609 4.470 ( 0.029 -1.651 -2.905) 3.342 4.546 ( -1.497 -0.189 -2.667) 3.064 4.583 ( 0.336 -3.136 -0.155) 3.158 4.635 ( -1.091 -2.464 -3.174) 4.163 4.840 ( 5.296 -1.748 -3.056) 6.360 4.866 ( -2.689 -7.654 0.544) 8.131 4.986 ( -0.309 -6.704 -2.690) 7.230 5.009 ( -0.288 1.090 -1.467) 1.850 5.051 ( 1.524 -0.357 0.977) 1.845 5.145 ( -4.149 -3.319 -2.573) 5.903 5.152 ( -0.610 -2.673 4.248) 5.055 5.204 ( -0.495 2.724 4.353) 5.159 5.331 ( 5.994 -0.879 0.056) 6.058 5.399 ( 0.302 -0.887 2.984) 3.127 5.484 ( 0.793 0.945 0.671) 1.405 5.628 ( 1.648 -0.688 0.504) 1.855 5.685 ( -0.565 -5.668 1.659) 5.932 5.758 ( -0.318 -1.372 -0.345) 1.450 5.805 ( 4.516 -1.722 -5.416) 7.259 5.854 ( -2.931 -4.703 -4.592) 7.196 5.960 ( 1.530 -3.905 5.291) 6.752 5.981 ( -3.032 0.794 1.063) 3.310 6.134 ( -0.656 0.147 -3.746) 3.806 6.222 ( -4.241 -1.264 -4.681) 6.442 6.338 ( -0.078 -2.432 3.508) 4.269 6.576 ( -2.893 2.539 1.049) 3.989 6.628 ( -2.951 1.313 1.807) 3.701 6.652 ( -3.640 5.016 -1.249) 6.322 6.824 ( -5.194 1.597 0.632) 5.471 7.908 ( -0.427 -0.802 -0.566) 1.071 7.943 ( 0.020 -1.127 0.546) 1.253 8.943 ( -5.682 8.000 0.382) 9.820 8.952 ( -5.692 7.201 -1.020) 9.235 10.150 ( -0.820 1.181 -3.584) 3.862 10.243 ( -1.022 -1.198 0.737) 1.738 10.452 ( -0.179 -0.235 0.107) 0.315 10.528 ( -1.501 -0.456 -1.222) 1.988 10.531 ( 0.515 1.107 -0.036) 1.221 10.681 ( -1.241 -6.301 1.971) 6.718 10.906 ( 2.005 2.162 0.398) 2.975 11.014 ( 2.502 2.902 -1.555) 4.136 11.135 ( 0.303 -2.038 4.407) 4.865 11.185 ( 4.809 -0.197 1.267) 4.977 11.292 ( 2.636 -3.121 -2.464) 4.771 11.560 ( 3.345 -10.184 0.273) 10.723 ======================= Grid point 82 (40/72) ======================= q-point: ( 0.38 0.29 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 5.099 6.144 3.504) 8.719 1.383 ( 7.056 7.965 3.749) 11.281 1.430 ( 3.265 0.231 3.804) 5.019 1.518 ( -1.908 7.128 0.509) 7.396 1.609 ( 0.490 -0.064 -5.936) 5.957 1.691 ( 6.608 6.761 2.035) 9.670 1.714 ( 0.610 3.451 0.202) 3.510 1.788 ( 0.678 2.895 2.830) 4.105 1.842 ( 1.010 3.757 -0.044) 3.891 1.949 ( 1.161 1.592 -2.089) 2.871 2.269 ( 1.967 -1.022 -4.171) 4.723 2.286 ( 6.414 -2.469 -4.809) 8.388 2.380 ( 2.014 2.706 -2.445) 4.166 2.556 ( 3.454 3.383 2.072) 5.260 2.631 ( -0.798 -2.681 1.104) 3.007 2.919 ( -3.937 -0.912 -0.387) 4.060 2.928 ( 2.016 -2.463 -3.641) 4.836 2.988 ( -4.981 -1.041 1.502) 5.306 3.033 ( 4.367 3.711 3.329) 6.627 3.055 ( -3.115 0.735 1.869) 3.707 3.127 ( 0.350 1.072 0.737) 1.347 3.177 ( 2.312 -3.210 -0.888) 4.055 3.311 ( -0.675 5.146 2.198) 5.637 3.385 ( -1.750 2.077 -2.998) 4.045 3.459 ( 1.617 1.877 -4.810) 5.410 3.541 ( -0.935 4.314 -2.851) 5.255 3.589 ( 2.960 -2.276 -0.421) 3.758 3.647 ( -0.006 -2.904 -1.111) 3.109 3.700 ( 3.125 -1.583 -1.543) 3.828 3.753 ( 2.502 8.806 -3.219) 9.704 3.817 ( 1.074 5.020 2.944) 5.918 3.864 ( -1.580 -3.610 2.823) 4.848 3.916 ( -1.323 0.713 7.339) 7.492 3.956 ( -0.434 6.778 0.847) 6.844 4.101 ( -5.761 2.381 1.089) 6.328 4.155 ( 2.133 3.209 -0.831) 3.942 4.259 ( 1.927 0.125 1.385) 2.376 4.282 ( -3.482 -2.172 3.176) 5.190 4.379 ( -2.504 -1.936 1.230) 3.396 4.408 ( -1.138 -3.870 -1.608) 4.343 4.525 ( -1.324 0.154 0.931) 1.625 4.546 ( 1.402 -3.758 -2.393) 4.670 4.651 ( 1.483 -2.731 1.117) 3.302 4.802 ( -2.173 -4.714 0.044) 5.191 4.853 ( -0.598 0.569 -5.732) 5.791 4.950 ( -1.033 -5.371 -2.552) 6.036 4.952 ( -1.085 -1.868 -1.589) 2.682 5.059 ( 0.981 -3.000 -0.353) 3.177 5.142 ( 1.634 -3.232 1.640) 3.976 5.179 ( -0.556 -1.516 4.141) 4.445 5.226 ( -2.419 -1.955 4.717) 5.650 5.425 ( 1.927 -0.699 -1.834) 2.751 5.472 ( 2.316 0.377 2.085) 3.139 5.508 ( 3.966 -0.125 -0.973) 4.086 5.657 ( 0.840 -0.570 0.935) 1.380 5.688 ( -1.921 -3.783 -0.322) 4.255 5.708 ( 0.013 -2.814 -0.289) 2.829 5.763 ( -2.281 -2.235 -2.946) 4.344 5.883 ( 5.293 -2.603 -0.565) 5.926 5.945 ( -1.376 1.133 -0.231) 1.798 5.999 ( -1.100 -1.488 1.159) 2.183 6.088 ( 0.485 -0.366 -2.861) 2.925 6.137 ( -2.825 -2.159 0.906) 3.670 6.346 ( -0.812 -2.606 -0.450) 2.767 6.528 ( -4.340 4.700 -0.372) 6.408 6.558 ( -0.699 2.072 0.815) 2.334 6.649 ( -0.403 1.963 0.720) 2.129 6.730 ( -5.312 1.500 -0.628) 5.555 7.904 ( 0.042 -1.102 0.198) 1.121 7.944 ( -0.181 -1.226 -0.038) 1.240 8.858 ( -3.832 7.640 0.209) 8.549 8.859 ( -3.833 7.383 -0.134) 8.320 10.131 ( 1.126 0.942 -0.873) 1.709 10.230 ( -0.704 -1.843 0.205) 1.984 10.461 ( 0.510 -0.999 0.641) 1.292 10.495 ( -0.983 -0.618 -0.249) 1.188 10.538 ( 0.427 1.146 -0.537) 1.336 10.677 ( -1.453 -4.300 0.642) 4.584 10.941 ( 1.133 1.954 0.711) 2.369 11.030 ( 1.426 4.756 -1.842) 5.296 11.161 ( -0.754 -1.260 2.730) 3.100 11.276 ( 2.440 -4.019 -0.250) 4.708 11.320 ( 3.792 -1.892 -0.218) 4.243 11.590 ( 0.475 -9.653 -0.936) 9.709 ======================= Grid point 83 (41/72) ======================= q-point: (-0.50 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -1.289 11.035 1.102) 11.165 1.356 ( -3.792 3.919 -3.764) 6.626 1.461 ( -1.853 2.363 1.177) 3.225 1.534 ( 0.446 8.317 2.159) 8.604 1.648 ( -3.538 7.516 -1.261) 8.402 1.679 ( -0.013 1.852 5.383) 5.693 1.798 ( 1.762 -1.497 4.174) 4.772 1.835 ( 3.312 2.802 9.542) 10.482 1.924 ( 2.517 1.165 -3.373) 4.367 2.022 ( 7.839 8.157 3.782) 11.929 2.203 ( -3.156 -0.996 -8.501) 9.122 2.310 ( 1.753 2.284 -10.216) 10.614 2.352 ( -2.507 -1.830 -1.008) 3.263 2.552 ( -2.426 -2.481 1.554) 3.802 2.697 ( 0.298 3.849 3.220) 5.027 2.858 ( 0.176 0.179 -5.472) 5.478 2.902 ( 0.715 -1.961 2.404) 3.183 2.950 ( -0.920 -2.817 0.931) 3.106 3.037 ( -0.288 1.731 2.191) 2.807 3.097 ( -2.591 -0.859 0.509) 2.777 3.138 ( 3.257 1.736 0.419) 3.715 3.207 ( 0.244 0.487 0.893) 1.046 3.290 ( -2.442 1.587 -2.160) 3.626 3.345 ( 0.903 3.966 -2.192) 4.621 3.430 ( 0.708 -0.325 -5.324) 5.381 3.523 ( 2.407 3.560 -2.249) 4.851 3.581 ( -2.348 1.299 -1.690) 3.171 3.639 ( 0.660 -3.748 -1.171) 3.982 3.692 ( 1.758 -1.484 -4.223) 4.809 3.797 ( 0.227 7.460 -6.530) 9.917 3.847 ( 1.643 -0.304 1.715) 2.394 3.885 ( -2.428 -1.780 4.768) 5.639 3.895 ( -3.753 3.811 5.149) 7.424 3.939 ( -2.745 3.728 1.360) 4.825 4.042 ( 0.842 0.908 0.930) 1.549 4.167 ( 0.517 2.177 -3.098) 3.822 4.277 ( -1.880 -1.075 3.908) 4.468 4.313 ( -2.562 -2.748 4.751) 6.057 4.346 ( 3.640 -0.840 0.814) 3.824 4.441 ( 1.194 -1.244 2.852) 3.333 4.496 ( -0.236 -0.349 0.205) 0.469 4.587 ( 1.918 -4.276 -0.586) 4.723 4.683 ( 1.280 -2.498 0.968) 2.969 4.766 ( -0.588 -2.593 -6.916) 7.409 4.821 ( 0.507 -5.756 4.856) 7.548 4.934 ( 0.863 -3.879 -2.855) 4.893 4.961 ( 2.874 2.030 1.765) 3.936 5.078 ( 0.836 -0.839 -0.899) 1.487 5.172 ( 0.238 -7.869 1.135) 7.954 5.187 ( -4.910 -3.329 3.160) 6.722 5.228 ( -0.339 1.909 4.819) 5.194 5.379 ( -1.915 -0.948 -2.824) 3.541 5.473 ( -1.121 2.470 -2.546) 3.721 5.553 ( 2.237 4.042 -3.607) 5.861 5.602 ( -4.262 -3.038 -0.368) 5.247 5.665 ( -0.699 -5.013 -1.890) 5.403 5.758 ( 0.327 3.490 3.505) 4.957 5.797 ( 5.357 -7.362 4.205) 10.029 5.862 ( -2.786 -1.012 -2.307) 3.756 5.968 ( 1.457 -0.306 -3.124) 3.461 6.017 ( 2.131 -2.257 2.962) 4.290 6.100 ( 2.725 -0.038 -0.721) 2.819 6.126 ( -1.029 -2.578 2.736) 3.897 6.308 ( -0.882 -2.383 -3.180) 4.071 6.486 ( -0.340 2.924 1.015) 3.114 6.581 ( 0.742 1.492 1.835) 2.478 6.612 ( -1.880 1.907 -2.853) 3.913 6.665 ( -0.088 1.898 -1.445) 2.388 7.910 ( 0.183 -0.992 0.670) 1.211 7.938 ( -0.163 -1.191 -0.429) 1.276 8.822 ( -0.343 7.595 0.150) 7.604 8.828 ( 0.630 7.016 0.012) 7.045 10.164 ( 1.888 0.079 1.635) 2.499 10.221 ( -0.514 -1.599 -0.414) 1.730 10.464 ( -0.575 -0.560 0.475) 0.933 10.502 ( 1.051 -1.183 0.331) 1.616 10.542 ( 0.558 0.419 0.533) 0.878 10.636 ( -2.336 -2.417 -1.826) 3.825 10.955 ( -0.341 2.002 0.824) 2.192 11.030 ( 0.705 5.207 -1.917) 5.593 11.167 ( -1.342 -1.713 2.376) 3.222 11.271 ( -0.234 -2.860 -2.473) 3.788 11.402 ( 2.165 -4.291 3.581) 5.994 11.563 ( -1.208 -8.315 -2.865) 8.878 ======================= Grid point 84 (42/72) ======================= q-point: (-0.38 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -8.326 13.089 0.482) 15.520 1.352 ( -5.985 2.732 5.870) 8.817 1.422 ( -5.538 2.479 4.073) 7.308 1.489 ( -2.928 5.153 0.780) 5.978 1.552 ( -3.143 6.873 -1.941) 7.803 1.766 ( 1.107 2.657 2.387) 3.739 1.796 ( -4.861 1.859 -3.003) 6.009 1.901 ( 0.302 1.823 5.553) 5.853 2.005 ( -7.452 0.772 -9.347) 11.979 2.036 ( 5.136 -2.095 7.121) 9.026 2.131 ( -0.947 -1.147 -9.425) 9.542 2.197 ( 0.521 2.150 -9.617) 9.868 2.295 ( -4.147 4.074 9.494) 11.132 2.478 ( -4.675 2.119 -1.767) 5.428 2.704 ( -3.593 0.982 -0.064) 3.726 2.830 ( 2.137 1.306 -2.292) 3.395 2.941 ( 0.365 0.410 -0.649) 0.850 2.975 ( 3.504 -1.891 2.678) 4.798 3.046 ( -1.750 -0.766 2.148) 2.875 3.106 ( 3.166 3.092 2.380) 5.025 3.168 ( -3.710 1.751 -3.252) 5.235 3.226 ( 2.485 -0.153 -1.821) 3.085 3.247 ( 2.907 -2.192 2.349) 4.333 3.358 ( 1.088 3.845 0.818) 4.079 3.394 ( 0.538 2.245 -3.468) 4.166 3.496 ( -1.575 -3.608 -3.345) 5.166 3.591 ( 3.266 4.987 0.769) 6.011 3.630 ( -1.824 -0.713 -0.511) 2.024 3.667 ( 0.190 -3.909 -4.354) 5.854 3.697 ( -2.033 4.074 -1.966) 4.960 3.812 ( -3.039 0.182 0.582) 3.100 3.921 ( 0.248 1.832 3.045) 3.563 3.944 ( 1.435 7.271 5.092) 8.992 3.972 ( 0.004 -0.019 5.568) 5.568 4.078 ( 2.066 -0.782 -0.573) 2.282 4.135 ( 1.499 -1.291 -2.449) 3.148 4.274 ( -0.904 1.593 1.375) 2.290 4.308 ( -2.764 0.160 3.201) 4.232 4.435 ( 3.315 -3.769 4.047) 6.447 4.491 ( 1.232 -1.399 -1.997) 2.732 4.515 ( 1.733 3.478 2.143) 4.438 4.587 ( 0.029 -3.962 -2.420) 4.643 4.695 ( -0.172 -5.498 -3.185) 6.356 4.722 ( 1.702 -0.716 -3.566) 4.016 4.860 ( 0.029 -7.541 0.473) 7.556 4.935 ( 1.387 -1.425 -1.272) 2.360 5.013 ( -3.115 0.745 -4.914) 5.866 5.037 ( 0.371 2.751 0.432) 2.810 5.115 ( -4.394 -6.137 2.551) 7.967 5.199 ( 0.958 -9.537 3.352) 10.155 5.294 ( 1.444 4.396 6.698) 8.141 5.354 ( 0.034 1.590 1.050) 1.905 5.421 ( -1.542 2.359 -2.044) 3.481 5.515 ( -3.210 0.993 -1.116) 3.540 5.554 ( -0.659 -0.166 -0.876) 1.109 5.637 ( -0.531 -4.767 -1.563) 5.045 5.748 ( -3.404 1.351 -0.428) 3.687 5.822 ( -0.213 -1.804 -0.409) 1.862 5.905 ( 1.881 -5.809 0.993) 6.186 5.946 ( -0.417 -3.737 -2.221) 4.367 6.072 ( 2.862 0.303 0.617) 2.944 6.142 ( -0.173 -3.411 5.190) 6.213 6.157 ( 4.047 -0.191 -3.778) 5.540 6.262 ( -0.938 -2.200 -3.452) 4.200 6.537 ( 2.115 2.534 1.546) 3.645 6.554 ( 1.904 1.154 0.660) 2.322 6.641 ( 1.575 3.024 -0.361) 3.428 6.694 ( 6.196 1.564 -0.565) 6.416 7.923 ( 0.353 -0.822 0.761) 1.174 7.929 ( -0.172 -1.184 -0.597) 1.337 8.854 ( 3.905 8.096 0.134) 8.990 8.879 ( 4.864 6.828 -0.055) 8.384 10.192 ( -1.329 -0.421 -2.176) 2.584 10.217 ( 1.885 -0.609 1.486) 2.476 10.462 ( -0.349 -0.185 0.860) 0.947 10.513 ( 1.311 -0.562 -1.564) 2.117 10.555 ( -1.766 -0.873 -0.209) 1.981 10.597 ( 0.641 -2.078 1.339) 2.553 10.949 ( -1.316 2.333 1.189) 2.931 11.017 ( -0.332 4.487 -1.666) 4.798 11.163 ( -1.442 -2.007 2.230) 3.329 11.231 ( -2.304 -1.229 -1.059) 2.818 11.439 ( -2.595 -7.148 3.239) 8.266 11.506 ( -0.988 -7.078 -3.641) 8.021 ======================= Grid point 85 (43/72) ======================= q-point: (-0.25 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -8.276 15.172 6.916) 18.615 1.168 ( -20.050 5.027 10.693) 23.273 1.397 ( -2.543 -1.519 1.819) 3.476 1.466 ( -3.857 -2.128 -0.224) 4.411 1.524 ( -0.107 1.779 1.424) 2.282 1.592 ( -4.209 -1.876 -5.664) 7.302 1.744 ( -6.626 0.867 -10.229) 12.219 1.849 ( -3.921 8.838 -1.465) 9.779 1.889 ( -3.398 5.893 -8.651) 11.005 1.958 ( -3.604 6.680 4.496) 8.822 2.092 ( -0.984 -3.649 0.685) 3.841 2.197 ( -0.612 -3.144 -2.809) 4.260 2.283 ( -2.859 1.373 2.888) 4.289 2.503 ( 4.462 3.108 3.969) 6.732 2.585 ( -4.291 -1.375 0.694) 4.559 2.881 ( 2.636 -2.067 -0.368) 3.370 2.940 ( -0.057 3.184 0.003) 3.185 3.019 ( -4.488 0.631 -2.164) 5.023 3.073 ( 1.729 2.906 -0.530) 3.422 3.082 ( 4.447 -0.298 2.210) 4.975 3.162 ( 0.026 -2.238 -0.821) 2.384 3.266 ( 1.300 -0.595 -1.356) 1.971 3.310 ( 2.237 0.868 -1.184) 2.676 3.390 ( 0.107 4.137 1.910) 4.558 3.401 ( 2.694 1.577 2.453) 3.970 3.469 ( -0.032 -3.403 1.461) 3.703 3.567 ( -1.487 -0.210 -1.814) 2.355 3.613 ( -0.785 -0.378 -1.369) 1.622 3.661 ( -0.330 0.291 -0.269) 0.516 3.697 ( 4.014 5.278 -1.001) 6.707 3.818 ( -0.040 1.113 2.225) 2.488 3.942 ( -0.083 1.581 4.022) 4.323 3.964 ( -2.266 2.312 -2.625) 4.168 4.036 ( 3.827 5.698 3.972) 7.930 4.097 ( 0.651 1.399 4.188) 4.463 4.196 ( 2.460 1.916 -0.789) 3.216 4.267 ( -0.332 1.345 -0.999) 1.709 4.311 ( 1.382 1.269 3.526) 3.994 4.463 ( -3.014 -0.441 -0.675) 3.120 4.475 ( -1.331 0.469 -1.681) 2.195 4.548 ( -0.334 1.114 -0.182) 1.178 4.589 ( 2.714 -4.043 -0.914) 4.954 4.650 ( 1.217 -6.490 -7.050) 9.659 4.702 ( -2.270 -2.713 1.441) 3.820 4.799 ( -4.894 -5.203 -3.842) 8.110 4.866 ( -2.967 0.103 -2.154) 3.668 4.974 ( 1.142 1.438 0.226) 1.850 5.042 ( -2.448 -3.106 0.969) 4.072 5.093 ( 0.725 -4.940 1.463) 5.203 5.265 ( 1.575 -7.973 4.204) 9.150 5.352 ( 0.656 3.368 -4.136) 5.374 5.367 ( -1.520 -0.254 4.154) 4.431 5.396 ( -1.342 -0.361 0.255) 1.413 5.475 ( -0.818 0.668 0.348) 1.112 5.545 ( -0.271 -0.402 5.902) 5.922 5.634 ( 0.654 0.034 -0.676) 0.942 5.651 ( -3.700 -0.024 -4.660) 5.950 5.827 ( 1.659 -7.243 -0.931) 7.489 5.855 ( -4.578 -6.419 -1.816) 8.090 5.937 ( -0.351 -0.186 0.218) 0.453 6.132 ( 3.555 1.791 -1.600) 4.290 6.154 ( 1.904 -3.430 -5.715) 6.932 6.207 ( 0.564 0.304 0.298) 0.706 6.236 ( 0.596 -4.912 4.674) 6.807 6.571 ( 2.981 3.759 0.141) 4.799 6.647 ( 2.320 2.549 1.226) 3.658 6.668 ( 3.815 3.968 -0.405) 5.519 6.850 ( 10.062 0.397 0.790) 10.100 7.915 ( -0.387 -1.319 -0.665) 1.527 7.945 ( 1.046 -0.862 0.639) 1.499 8.948 ( 5.480 7.813 0.390) 9.552 8.992 ( 8.835 7.479 -1.064) 11.625 10.130 ( -2.138 1.670 -3.442) 4.382 10.263 ( 2.574 -0.946 0.208) 2.750 10.461 ( -0.573 -0.355 0.213) 0.707 10.522 ( 1.463 -0.540 -1.619) 2.248 10.534 ( 0.892 1.152 -0.385) 1.507 10.630 ( -0.475 -3.222 2.933) 4.383 10.931 ( -2.048 2.235 0.592) 3.089 10.989 ( -1.336 2.618 -0.495) 2.981 11.164 ( -2.290 -2.912 2.025) 4.222 11.180 ( -1.417 1.433 0.853) 2.188 11.376 ( -4.964 -8.359 -0.241) 9.725 11.452 ( -4.298 -7.979 -0.327) 9.069 ======================= Grid point 86 (44/72) ======================= q-point: (-0.12 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -24.334 4.420 15.880) 29.392 1.022 ( -5.646 17.224 4.914) 18.780 1.306 ( -5.659 -1.969 -9.696) 11.398 1.364 ( -0.889 5.096 -1.330) 5.341 1.484 ( -3.280 -6.783 -0.096) 7.535 1.594 ( -0.221 -2.180 5.237) 5.677 1.636 ( -0.108 4.237 -4.689) 6.320 1.722 ( -1.001 12.130 2.273) 12.382 1.800 ( 0.993 0.038 -2.087) 2.311 1.974 ( -3.664 -1.049 0.911) 3.919 2.117 ( 2.354 -2.942 2.284) 4.406 2.147 ( -1.272 0.988 1.463) 2.176 2.176 ( -7.902 0.772 -1.909) 8.166 2.582 ( 0.430 0.791 -1.772) 1.987 2.651 ( 5.437 -0.726 1.603) 5.715 2.871 ( -1.469 0.538 -2.117) 2.633 2.901 ( 0.377 -2.322 -2.250) 3.255 3.008 ( 1.074 0.957 3.488) 3.773 3.102 ( 0.452 -1.583 -5.041) 5.303 3.116 ( 0.052 -2.085 -1.330) 2.473 3.165 ( 1.374 1.118 4.486) 4.823 3.255 ( 0.093 2.535 -2.252) 3.392 3.292 ( -0.715 3.362 -1.838) 3.898 3.425 ( 0.542 2.961 0.488) 3.050 3.454 ( -2.054 -1.345 1.546) 2.902 3.477 ( -0.471 -3.215 1.799) 3.714 3.560 ( -0.643 2.576 -3.394) 4.309 3.604 ( 3.359 1.718 1.572) 4.087 3.669 ( 1.680 -0.142 -1.670) 2.373 3.742 ( 1.827 8.126 -1.383) 8.443 3.805 ( 0.005 3.527 -0.963) 3.656 3.881 ( -2.937 0.312 -0.380) 2.978 3.994 ( 0.053 5.220 0.459) 5.240 4.134 ( 1.038 4.233 5.416) 6.951 4.168 ( 1.507 3.934 -4.826) 6.406 4.197 ( 4.410 5.197 3.273) 7.561 4.302 ( 2.156 0.347 0.306) 2.205 4.356 ( -5.163 -1.329 -2.830) 6.036 4.369 ( -1.221 1.174 5.426) 5.684 4.410 ( -2.409 1.239 -2.592) 3.749 4.503 ( -0.372 -4.136 -4.131) 5.857 4.549 ( -4.881 -2.664 -1.409) 5.737 4.635 ( 3.966 -1.487 -1.098) 4.375 4.676 ( -4.536 -4.546 1.691) 6.641 4.786 ( 0.988 -5.666 5.785) 8.157 4.842 ( 1.231 -2.641 1.100) 3.114 4.973 ( -1.896 -0.906 1.066) 2.356 5.017 ( -1.483 1.376 2.413) 3.149 5.115 ( -0.218 -5.945 -2.859) 6.600 5.262 ( -2.736 -3.278 -1.002) 4.386 5.325 ( 1.151 0.100 -2.231) 2.512 5.367 ( 0.985 -0.377 1.115) 1.535 5.387 ( -0.662 -0.407 3.212) 3.304 5.483 ( -0.230 -0.633 -0.341) 0.755 5.536 ( -2.057 0.430 -3.410) 4.005 5.634 ( 0.606 -4.535 0.117) 4.577 5.661 ( 1.019 0.975 6.732) 6.878 5.771 ( -3.179 -6.146 0.743) 6.959 5.852 ( 2.286 -6.629 -2.312) 7.383 5.939 ( -0.715 1.574 3.021) 3.480 6.116 ( 0.830 -5.156 -6.719) 8.510 6.164 ( 2.702 3.034 -1.841) 4.460 6.209 ( 0.386 -0.958 -0.526) 1.159 6.311 ( 0.199 -4.096 6.152) 7.394 6.623 ( 2.182 3.875 -0.291) 4.457 6.682 ( 1.713 3.601 0.835) 4.075 6.730 ( 2.922 4.452 -0.836) 5.391 7.003 ( 6.803 -1.508 -2.566) 7.426 7.906 ( -0.081 -1.295 -0.170) 1.309 7.968 ( 1.069 -1.093 -0.289) 1.556 9.026 ( 3.185 7.768 -0.405) 8.406 9.146 ( 9.344 5.031 -3.691) 11.236 10.083 ( -0.272 3.817 0.249) 3.835 10.307 ( 2.290 -2.085 -1.336) 3.373 10.471 ( 2.242 1.464 0.458) 2.717 10.544 ( 1.798 1.041 0.138) 2.082 10.554 ( 2.646 1.916 -3.170) 4.552 10.633 ( -1.093 -2.824 1.513) 3.385 10.887 ( -2.406 0.485 -0.353) 2.480 10.968 ( -1.208 1.119 0.467) 1.712 11.110 ( -3.814 -1.265 -0.027) 4.019 11.199 ( -0.904 -0.930 1.768) 2.192 11.276 ( -10.448 -9.539 7.302) 15.921 11.359 ( -1.540 -5.592 -3.234) 6.640 ======================= Grid point 87 (45/72) ======================= q-point: ( 0.00 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -7.401 12.178 10.228) 17.541 1.125 ( -1.499 -7.691 2.150) 8.126 1.277 ( 1.297 4.551 1.812) 5.067 1.332 ( -0.347 -2.259 0.388) 2.318 1.474 ( 1.556 7.069 1.990) 7.506 1.578 ( -0.048 4.285 0.436) 4.307 1.663 ( 5.013 -3.809 6.422) 8.993 1.825 ( 1.092 -8.652 2.851) 9.174 1.848 ( 3.101 1.590 1.189) 3.683 1.906 ( 1.278 -4.109 0.038) 4.303 2.066 ( -3.267 3.740 -6.088) 7.857 2.149 ( -1.021 -3.898 -5.281) 6.643 2.266 ( -1.072 11.842 -0.605) 11.906 2.413 ( -5.529 -2.902 -9.187) 11.109 2.777 ( 0.092 4.954 6.512) 8.183 2.864 ( 1.813 -2.875 3.207) 4.673 2.937 ( 1.863 -0.909 -5.862) 6.218 2.956 ( 6.655 -0.989 0.680) 6.763 3.047 ( -1.395 -1.184 2.817) 3.359 3.083 ( 1.992 -2.881 1.943) 4.006 3.238 ( -1.454 2.585 0.629) 3.032 3.283 ( -4.625 1.881 1.465) 5.204 3.303 ( -0.450 0.335 -3.178) 3.227 3.353 ( 0.032 -1.637 -0.585) 1.739 3.467 ( 1.327 1.854 -1.140) 2.549 3.472 ( -0.248 1.044 -1.121) 1.552 3.622 ( -1.026 -0.046 -1.162) 1.551 3.644 ( -0.343 -0.281 1.189) 1.269 3.724 ( -0.321 5.951 -2.613) 6.507 3.816 ( 0.268 -1.995 -0.633) 2.110 3.965 ( 0.906 9.410 -1.359) 9.550 3.990 ( 1.420 6.759 -0.571) 6.930 4.049 ( -2.129 1.318 -2.057) 3.240 4.106 ( -3.206 -0.330 -2.972) 4.384 4.191 ( -0.935 2.796 1.996) 3.561 4.294 ( -1.022 -1.171 -2.034) 2.560 4.307 ( -0.384 -0.915 -2.917) 3.081 4.347 ( -1.685 2.328 0.171) 2.879 4.363 ( 0.543 -1.401 -2.123) 2.601 4.389 ( -0.938 -4.275 -1.047) 4.500 4.451 ( 1.607 5.576 0.995) 5.888 4.522 ( 2.370 -0.991 1.484) 2.967 4.611 ( -1.571 -4.098 -0.194) 4.393 4.661 ( 2.005 3.859 4.235) 6.071 4.669 ( -0.621 -11.461 1.907) 11.635 4.779 ( 3.391 -8.415 3.778) 9.828 4.932 ( 0.190 1.382 3.042) 3.346 4.962 ( 1.356 -1.974 0.269) 2.410 5.134 ( -1.990 5.807 -0.938) 6.210 5.229 ( 0.559 0.195 -2.322) 2.396 5.301 ( -1.634 -0.926 0.057) 1.879 5.347 ( 1.858 -3.818 -3.631) 5.587 5.385 ( -1.523 -1.855 0.297) 2.418 5.409 ( 0.092 -2.447 5.389) 5.919 5.559 ( 0.331 5.306 2.565) 5.903 5.625 ( 1.588 1.500 2.821) 3.568 5.651 ( -1.013 -2.157 -0.356) 2.410 5.714 ( 1.804 -5.246 6.779) 8.760 5.810 ( 0.843 1.782 -3.409) 3.938 5.900 ( 0.270 -5.367 -4.134) 6.780 6.048 ( -1.080 3.307 -0.088) 3.480 6.132 ( -1.005 -4.123 -1.388) 4.465 6.259 ( 0.838 2.092 2.267) 3.197 6.297 ( -0.185 -1.799 3.354) 3.810 6.693 ( -0.445 2.063 -0.902) 2.295 6.714 ( -0.804 0.024 -1.143) 1.398 6.873 ( 0.128 4.545 -0.429) 4.567 6.957 ( -0.185 -3.515 -3.351) 4.860 7.917 ( 0.282 1.079 0.622) 1.277 7.943 ( -0.129 -1.248 -0.368) 1.307 9.170 ( -0.055 3.697 -0.883) 3.802 9.213 ( 0.017 -0.514 -2.694) 2.743 10.193 ( 1.070 3.068 1.655) 3.647 10.251 ( 0.044 -2.421 -0.744) 2.533 10.522 ( -1.085 1.351 -0.022) 1.733 10.546 ( -1.305 -0.668 -1.172) 1.877 10.619 ( 1.289 1.667 -0.832) 2.266 10.661 ( 5.258 -1.717 -3.853) 6.742 10.867 ( -0.306 0.419 0.634) 0.819 10.882 ( -3.994 -1.076 0.270) 4.145 11.041 ( -2.415 1.389 4.236) 5.070 11.086 ( -2.071 -2.832 4.388) 5.618 11.219 ( 0.945 1.130 -1.116) 1.848 11.275 ( 2.681 -4.162 -1.194) 5.092 ======================= Grid point 88 (46/72) ======================= q-point: ( 0.12 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 3.506 11.728 8.528) 14.919 1.188 ( 4.649 -9.137 3.974) 10.995 1.318 ( 1.749 8.140 1.125) 8.402 1.395 ( 7.339 -2.830 -0.937) 7.922 1.529 ( 1.503 3.516 1.270) 4.029 1.598 ( 3.560 5.380 -0.712) 6.490 1.768 ( 0.282 -1.812 -1.763) 2.544 1.858 ( 0.768 -2.160 -3.170) 3.912 1.908 ( 0.914 -0.184 -1.082) 1.428 1.964 ( 4.200 -5.320 1.263) 6.895 2.022 ( 3.512 3.741 2.148) 5.563 2.121 ( 3.968 -4.440 -0.104) 5.956 2.307 ( 5.403 1.508 1.746) 5.875 2.312 ( 2.412 0.571 -3.779) 4.519 2.799 ( -1.666 6.055 2.979) 6.951 2.897 ( -0.141 1.658 -0.073) 1.665 2.928 ( 1.366 -1.203 -1.922) 2.647 2.998 ( -0.438 -3.008 -5.669) 6.433 3.041 ( -1.701 4.309 -0.021) 4.632 3.122 ( -0.624 -2.884 2.300) 3.741 3.216 ( -0.618 1.646 -3.057) 3.526 3.265 ( 3.201 -1.739 -1.803) 4.064 3.308 ( -1.877 1.192 3.026) 3.756 3.340 ( 0.063 -0.773 4.877) 4.938 3.439 ( -0.910 2.062 0.010) 2.254 3.476 ( 0.343 -0.486 -0.179) 0.621 3.611 ( 1.437 0.871 -1.257) 2.098 3.644 ( -1.488 2.115 0.682) 2.675 3.677 ( -0.774 3.894 -1.380) 4.203 3.788 ( -1.893 -2.824 -1.351) 3.658 3.944 ( -2.371 5.692 -1.510) 6.349 3.972 ( -2.458 3.697 -0.756) 4.503 4.006 ( -1.503 5.224 1.538) 5.649 4.067 ( -0.461 1.457 1.195) 1.940 4.178 ( -1.881 5.902 1.125) 6.296 4.246 ( -2.145 3.517 0.056) 4.120 4.288 ( -0.718 -1.335 -1.510) 2.139 4.319 ( 0.321 0.338 0.431) 0.635 4.337 ( -2.597 -1.110 0.570) 2.882 4.386 ( 1.592 -7.594 -3.169) 8.382 4.500 ( 1.960 -0.593 0.965) 2.263 4.548 ( 0.421 -4.211 -4.072) 5.872 4.635 ( 0.862 -3.696 0.978) 3.919 4.671 ( 3.971 -5.269 1.840) 6.850 4.750 ( 0.940 1.274 2.509) 2.967 4.837 ( 1.256 -6.693 -0.725) 6.848 4.955 ( 1.053 1.136 0.002) 1.548 5.003 ( 1.853 -2.313 -0.273) 2.976 5.118 ( -1.263 2.066 4.312) 4.946 5.182 ( -3.380 -3.256 -0.947) 4.788 5.281 ( 1.914 2.350 -1.500) 3.382 5.317 ( -1.064 0.340 -2.604) 2.833 5.414 ( -1.101 0.727 3.371) 3.620 5.443 ( 0.847 -0.935 0.760) 1.473 5.595 ( 1.673 0.889 3.455) 3.940 5.626 ( -0.262 -1.428 -0.751) 1.635 5.703 ( 2.257 2.918 1.625) 4.031 5.769 ( 0.969 0.830 -5.375) 5.524 5.799 ( 1.314 -5.135 3.546) 6.377 5.843 ( -1.521 -5.213 -5.445) 7.690 6.042 ( -1.653 2.513 3.447) 4.575 6.109 ( -0.521 -3.676 -0.526) 3.750 6.287 ( -0.367 1.060 2.669) 2.895 6.306 ( -0.963 -0.639 0.229) 1.179 6.663 ( -2.251 1.159 0.037) 2.532 6.667 ( -2.886 0.690 -0.844) 3.085 6.837 ( -3.927 3.328 -0.059) 5.148 6.894 ( -3.238 -2.048 -1.904) 4.278 7.926 ( -0.073 0.191 0.602) 0.636 7.929 ( -0.728 -0.078 -0.609) 0.952 9.131 ( -3.604 2.876 -0.171) 4.614 9.150 ( -4.080 1.088 -1.950) 4.651 10.217 ( -0.426 1.042 0.214) 1.146 10.235 ( -0.429 -0.571 -0.956) 1.193 10.494 ( -2.130 1.781 0.431) 2.810 10.525 ( -0.524 -0.810 0.261) 0.999 10.577 ( -2.362 0.860 -1.675) 3.020 10.616 ( -3.637 -3.153 -1.834) 5.151 10.909 ( 3.406 2.068 0.839) 4.072 10.945 ( 6.229 -1.063 0.534) 6.341 11.067 ( 0.537 1.982 3.807) 4.326 11.126 ( 3.151 -2.486 1.832) 4.412 11.227 ( 0.919 1.705 -0.954) 2.159 11.317 ( 3.336 -6.375 -1.260) 7.305 ======================= Grid point 89 (47/72) ======================= q-point: ( 0.25 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 9.083 8.239 6.952) 14.097 1.325 ( 5.148 -6.428 5.098) 9.685 1.372 ( 3.644 6.861 0.582) 7.790 1.529 ( 7.930 -3.082 -4.201) 9.489 1.573 ( 3.467 -2.604 -1.911) 4.739 1.614 ( 3.568 -3.824 -3.590) 6.343 1.771 ( 0.147 6.513 -4.230) 7.768 1.816 ( 3.503 6.349 0.293) 7.257 1.878 ( 0.027 3.846 -1.600) 4.166 2.050 ( 4.535 -7.267 -1.418) 8.683 2.151 ( 6.230 4.398 -0.294) 7.632 2.249 ( 5.276 -2.507 3.807) 6.972 2.383 ( 6.038 3.904 1.901) 7.437 2.442 ( 3.730 -0.208 5.777) 6.879 2.805 ( -1.354 4.495 -1.295) 4.870 2.882 ( -2.833 -1.427 -5.883) 6.683 2.894 ( 1.567 1.492 -0.216) 2.174 2.949 ( 1.616 -1.019 -1.113) 2.212 3.026 ( 1.458 0.798 0.352) 1.699 3.072 ( -5.000 -3.001 1.097) 5.934 3.168 ( -3.502 0.356 -2.091) 4.094 3.198 ( -3.692 -0.680 -2.711) 4.631 3.371 ( 2.702 -0.094 0.752) 2.807 3.383 ( 1.679 -1.526 -0.966) 2.466 3.480 ( 2.988 0.919 -0.148) 3.130 3.499 ( 1.146 1.310 1.591) 2.358 3.615 ( -1.150 2.923 1.837) 3.638 3.627 ( 0.564 -0.640 -0.807) 1.174 3.678 ( -0.433 1.723 0.631) 1.885 3.755 ( -1.781 -5.048 3.110) 6.191 3.895 ( -1.294 6.573 2.550) 7.169 3.972 ( 0.919 4.642 2.102) 5.178 3.997 ( -0.950 7.683 0.464) 7.755 4.056 ( -2.106 3.762 1.692) 4.632 4.158 ( -1.181 -0.881 0.167) 1.483 4.208 ( -3.641 4.416 1.496) 5.916 4.267 ( -0.631 1.779 0.402) 1.930 4.294 ( -2.546 -2.773 0.510) 3.799 4.343 ( 0.042 -2.554 -2.076) 3.292 4.362 ( 0.836 -4.873 -2.845) 5.705 4.499 ( -1.392 -4.488 0.988) 4.802 4.533 ( -1.251 -3.086 0.950) 3.463 4.642 ( 0.628 3.288 -2.260) 4.039 4.717 ( -0.573 -3.722 -0.485) 3.797 4.800 ( 4.169 -1.594 -0.402) 4.481 4.837 ( 1.477 -5.584 -2.621) 6.343 4.968 ( 0.233 -2.382 0.549) 2.455 4.997 ( -0.818 -4.922 -0.790) 5.052 5.109 ( -2.797 3.199 -1.576) 4.532 5.159 ( 0.060 -0.681 3.108) 3.182 5.291 ( -1.684 4.584 0.965) 4.978 5.340 ( 4.302 1.164 0.125) 4.458 5.382 ( -1.639 -1.114 1.338) 2.391 5.445 ( -0.757 -4.548 -3.585) 5.840 5.625 ( 0.216 2.061 2.995) 3.642 5.680 ( 1.014 3.801 -0.085) 3.935 5.707 ( 2.560 -3.619 1.237) 4.603 5.764 ( -0.974 -3.301 -4.445) 5.621 5.781 ( 3.267 -0.194 -4.199) 5.324 5.843 ( 1.935 -5.039 0.107) 5.399 6.041 ( -2.521 2.705 3.396) 5.021 6.095 ( -1.157 -2.753 0.568) 3.039 6.251 ( -2.794 2.782 -3.608) 5.345 6.300 ( -0.986 -1.776 0.937) 2.237 6.616 ( -2.854 1.350 1.530) 3.508 6.634 ( -2.520 -0.405 2.692) 3.710 6.750 ( -4.733 4.072 -0.836) 6.299 6.815 ( -4.810 -2.081 -0.038) 5.241 7.911 ( -0.525 0.706 -0.477) 1.001 7.927 ( -0.295 -0.702 0.211) 0.790 9.049 ( -5.473 2.435 0.339) 6.000 9.051 ( -5.451 2.293 -0.474) 5.932 10.184 ( -1.200 1.830 -1.867) 2.877 10.218 ( -1.338 -1.375 -0.253) 1.935 10.461 ( -1.419 1.233 -0.138) 1.885 10.499 ( -2.152 -2.092 -0.682) 3.078 10.554 ( 0.447 1.117 0.181) 1.216 10.587 ( 0.475 -2.581 0.698) 2.715 10.969 ( 1.833 3.635 2.008) 4.539 11.046 ( 3.753 -2.931 1.649) 5.040 11.116 ( 1.752 3.696 1.237) 4.273 11.208 ( 3.983 -3.912 -0.345) 5.593 11.233 ( 1.693 3.726 -1.303) 4.295 11.364 ( 3.192 -8.250 -1.184) 8.925 ======================= Grid point 90 (48/72) ======================= q-point: ( 0.38 0.43 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 6.919 6.145 5.190) 10.609 1.436 ( 2.319 3.134 1.648) 4.232 1.478 ( 6.019 -4.783 4.945) 9.142 1.535 ( 0.331 -5.149 -0.935) 5.244 1.610 ( 2.869 8.884 -2.050) 9.559 1.739 ( 5.551 1.299 -0.665) 5.740 1.781 ( 6.578 -1.737 -2.319) 7.188 1.803 ( -2.024 -3.652 1.123) 4.324 1.963 ( 5.895 8.974 -2.385) 10.999 2.105 ( 3.438 -1.950 -0.226) 3.958 2.196 ( 3.123 7.354 -5.014) 9.433 2.315 ( -0.631 -0.588 -0.333) 0.925 2.496 ( 1.084 6.607 1.535) 6.869 2.574 ( 6.959 -0.656 6.285) 9.400 2.689 ( -4.713 5.248 -4.770) 8.515 2.818 ( -1.135 -6.542 -0.409) 6.653 2.899 ( -0.688 0.082 -1.404) 1.566 2.957 ( -5.357 -2.684 2.936) 6.672 3.045 ( 0.017 -0.303 0.864) 0.916 3.072 ( 0.542 -1.807 -0.048) 1.887 3.118 ( 3.041 0.118 -1.069) 3.226 3.137 ( 0.550 -0.581 -1.353) 1.571 3.361 ( -1.345 0.962 -1.468) 2.211 3.390 ( -1.007 -1.839 -1.683) 2.688 3.489 ( 1.468 2.116 -4.281) 4.996 3.539 ( 2.537 -1.505 -0.986) 3.110 3.616 ( 1.191 0.638 -0.551) 1.459 3.622 ( 0.467 -0.898 -2.829) 3.004 3.676 ( -0.691 2.787 0.742) 2.965 3.758 ( -1.896 -3.730 2.147) 4.703 3.929 ( -0.082 6.150 1.448) 6.318 3.977 ( -0.830 6.540 0.416) 6.605 4.014 ( 0.832 7.878 4.672) 9.197 4.064 ( -0.082 -1.218 -2.274) 2.581 4.120 ( -3.905 0.167 2.510) 4.645 4.160 ( -3.148 -2.428 3.198) 5.102 4.239 ( -0.135 2.601 -3.155) 4.091 4.275 ( -1.727 -1.630 -0.032) 2.375 4.309 ( 0.157 -3.189 1.194) 3.409 4.353 ( -0.978 -3.378 0.651) 3.577 4.509 ( -2.740 -0.754 2.903) 4.062 4.525 ( 1.435 -0.004 2.585) 2.957 4.620 ( -0.118 1.117 -1.733) 2.065 4.689 ( -1.055 -4.519 -1.272) 4.811 4.829 ( 0.541 -1.238 -3.149) 3.427 4.848 ( 0.681 -3.166 -0.245) 3.248 4.984 ( 1.307 -1.612 0.903) 2.263 4.990 ( -0.137 -1.675 0.104) 1.684 5.052 ( -0.561 3.738 -2.024) 4.287 5.178 ( -0.067 -3.460 0.689) 3.528 5.274 ( -1.377 4.415 3.216) 5.633 5.355 ( -1.625 -6.140 -3.261) 7.140 5.404 ( 2.561 -1.651 2.702) 4.073 5.447 ( 1.535 -4.631 3.505) 6.008 5.643 ( -0.703 3.888 -0.053) 3.951 5.682 ( 1.748 1.065 -2.390) 3.147 5.722 ( -0.625 -0.019 -2.564) 2.639 5.785 ( 1.593 -0.394 2.862) 3.299 5.804 ( 2.991 -1.823 -2.037) 4.052 5.878 ( 4.755 -4.125 -2.748) 6.869 6.023 ( -2.930 2.689 3.083) 5.031 6.078 ( -2.285 -2.694 2.050) 4.084 6.167 ( -1.595 5.186 -3.478) 6.445 6.272 ( -1.436 -4.490 -1.473) 4.939 6.597 ( -1.528 1.476 1.961) 2.891 6.602 ( -3.716 1.687 0.854) 4.169 6.683 ( -1.719 1.828 -0.410) 2.543 6.725 ( -4.433 -1.611 -1.317) 4.897 7.904 ( -0.054 0.736 0.044) 0.740 7.923 ( -0.187 -0.941 0.011) 0.959 8.963 ( -4.040 2.538 0.167) 4.774 8.964 ( -3.954 2.444 0.185) 4.652 10.161 ( 0.034 1.775 -0.320) 1.804 10.196 ( -0.683 -1.580 0.098) 1.724 10.449 ( -0.154 0.140 0.323) 0.384 10.469 ( -0.702 -1.542 -0.155) 1.701 10.564 ( 0.317 1.413 -0.234) 1.467 10.602 ( 0.170 -2.541 0.043) 2.547 11.010 ( 0.248 4.333 2.443) 4.980 11.104 ( 0.049 -4.043 3.155) 5.128 11.146 ( 2.296 5.277 -1.987) 6.089 11.223 ( 1.439 -1.793 -2.499) 3.396 11.289 ( 3.219 0.774 0.187) 3.316 11.397 ( 1.506 -8.338 -0.985) 8.530 ======================= Grid point 91 (49/72) ======================= q-point: (-0.50 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -1.673 3.823 2.855) 5.056 1.476 ( -4.734 4.215 2.279) 6.736 1.511 ( -0.216 2.054 4.069) 4.564 1.596 ( 1.676 -1.159 2.062) 2.899 1.699 ( 5.735 3.903 4.485) 8.260 1.781 ( -1.307 0.199 2.465) 2.797 1.784 ( -0.381 2.044 0.321) 2.104 1.871 ( 3.442 -5.910 -3.587) 7.723 1.972 ( -0.414 8.706 -3.262) 9.306 2.139 ( -1.656 -6.063 -6.056) 8.728 2.205 ( 3.911 8.850 -0.319) 9.681 2.299 ( 3.323 0.113 -1.490) 3.644 2.447 ( -6.090 4.944 -2.258) 8.163 2.518 ( -8.613 -1.387 -1.768) 8.902 2.776 ( 6.147 2.495 4.838) 8.211 2.839 ( 0.070 -2.549 2.481) 3.558 2.888 ( 1.405 -0.386 0.468) 1.530 2.899 ( -1.438 0.485 -0.333) 1.554 3.044 ( 1.041 0.016 0.334) 1.093 3.067 ( -1.057 -1.643 0.321) 1.980 3.149 ( 2.547 -0.838 -0.029) 2.681 3.168 ( 0.243 -2.786 -1.078) 2.997 3.333 ( 0.313 2.264 -2.141) 3.132 3.374 ( 1.460 -1.449 -0.696) 2.171 3.428 ( -0.105 1.343 -8.046) 8.158 3.493 ( -3.015 -4.183 -6.023) 7.928 3.637 ( 0.434 2.952 -1.996) 3.590 3.656 ( 2.280 1.103 -0.479) 2.578 3.660 ( -0.482 2.829 2.335) 3.700 3.763 ( 1.066 -5.383 3.229) 6.367 3.911 ( -4.972 5.451 2.908) 7.930 3.978 ( 1.011 7.390 -6.289) 9.757 4.013 ( -1.660 -0.352 1.015) 1.977 4.022 ( -3.037 5.527 1.823) 6.564 4.066 ( 0.802 0.313 -1.881) 2.068 4.146 ( -1.963 -6.864 0.486) 7.155 4.219 ( 1.326 2.647 -1.449) 3.296 4.301 ( 1.814 -2.125 1.778) 3.312 4.331 ( -1.003 -0.007 3.581) 3.719 4.383 ( 1.240 -3.681 4.850) 6.214 4.506 ( -0.482 1.696 3.362) 3.796 4.567 ( 2.522 0.734 -2.199) 3.425 4.623 ( 0.049 -1.945 2.255) 2.978 4.674 ( -0.286 -5.049 0.355) 5.069 4.766 ( -0.795 1.658 -4.075) 4.470 4.853 ( 0.463 -4.708 -1.988) 5.132 4.986 ( -0.643 -3.210 0.161) 3.277 5.016 ( -1.461 -5.185 0.620) 5.422 5.060 ( 2.771 5.989 1.798) 6.839 5.164 ( -0.876 -2.172 -1.927) 3.033 5.312 ( 0.058 3.874 5.913) 7.069 5.342 ( 0.656 -0.326 2.417) 2.525 5.461 ( 0.287 -3.844 1.489) 4.132 5.501 ( 0.504 -5.284 3.629) 6.430 5.611 ( -2.362 4.933 -1.619) 5.704 5.660 ( -0.216 2.851 -5.390) 6.102 5.705 ( 3.514 -2.509 -1.264) 4.499 5.763 ( -3.809 -7.202 -0.493) 8.162 5.870 ( 3.353 5.553 0.230) 6.491 5.949 ( 2.651 -1.533 -2.294) 3.826 6.004 ( -1.427 0.965 3.968) 4.326 6.055 ( -3.238 -3.363 3.771) 6.001 6.156 ( 2.980 3.772 -2.101) 5.246 6.239 ( 0.300 -3.953 -2.714) 4.804 6.546 ( -1.362 2.562 -0.407) 2.930 6.585 ( -1.829 -1.000 -0.182) 2.093 6.651 ( 0.178 1.774 -1.258) 2.182 6.677 ( 0.537 -0.536 -1.156) 1.383 7.908 ( 0.205 0.477 0.443) 0.683 7.921 ( -0.040 -0.662 -0.062) 0.666 8.927 ( -0.011 2.541 0.124) 2.544 8.929 ( 0.118 2.380 0.110) 2.385 10.177 ( 1.038 0.918 1.091) 1.764 10.196 ( 0.133 -0.940 0.378) 1.022 10.454 ( 0.014 0.014 0.793) 0.793 10.471 ( 0.481 -1.472 0.605) 1.663 10.559 ( -0.191 1.070 -0.779) 1.337 10.588 ( -0.932 -1.861 -1.363) 2.488 11.023 ( -1.380 4.185 2.342) 4.991 11.111 ( -2.066 -3.826 2.613) 5.073 11.157 ( 1.295 6.096 -2.719) 6.799 11.228 ( 1.507 -1.235 -1.949) 2.756 11.331 ( 0.611 -1.704 0.969) 2.054 11.393 ( -0.546 -7.284 -1.575) 7.473 ======================= Grid point 92 (50/72) ======================= q-point: (-0.38 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -9.818 3.555 3.712) 11.082 1.384 ( -9.502 0.229 5.560) 11.011 1.523 ( -3.935 7.988 3.939) 9.737 1.606 ( -2.000 3.661 -1.613) 4.472 1.666 ( -6.678 2.539 -3.106) 7.790 1.724 ( -6.995 -2.615 -3.948) 8.447 1.820 ( 2.905 3.688 -0.068) 4.695 1.925 ( 4.190 -4.940 0.434) 6.493 1.958 ( -2.944 -2.685 4.263) 5.835 1.989 ( -4.833 -3.223 -4.435) 7.308 2.206 ( -3.539 8.607 -5.330) 10.724 2.277 ( -3.823 2.098 -7.226) 8.440 2.373 ( -0.101 4.093 7.818) 8.825 2.464 ( 0.145 -3.540 5.927) 6.905 2.760 ( -4.340 4.505 -3.429) 7.134 2.855 ( -1.386 -1.717 -1.617) 2.736 2.920 ( 3.604 1.402 -0.680) 3.927 2.988 ( 3.886 1.337 2.385) 4.752 3.047 ( 0.129 -0.550 1.276) 1.395 3.054 ( -0.810 -5.073 0.158) 5.139 3.155 ( 1.039 -0.779 -1.327) 1.857 3.205 ( 2.859 -2.973 -1.798) 4.500 3.320 ( 0.982 6.263 -2.218) 6.716 3.387 ( 0.951 0.123 -0.879) 1.301 3.404 ( 2.193 -1.107 -3.704) 4.444 3.428 ( 1.721 -3.195 -0.408) 3.652 3.606 ( -2.973 0.646 0.008) 3.042 3.616 ( -0.938 -0.356 -1.847) 2.102 3.713 ( -1.538 3.823 1.492) 4.383 3.776 ( -0.488 -1.333 1.359) 1.965 3.841 ( -1.536 7.046 -0.877) 7.265 3.950 ( -0.884 -0.395 1.623) 1.890 3.999 ( 2.176 3.277 2.742) 4.795 4.049 ( 0.998 -0.834 -0.742) 1.498 4.125 ( 2.582 1.739 -2.243) 3.837 4.130 ( 3.722 4.840 3.030) 6.816 4.258 ( 1.585 -1.587 2.044) 3.034 4.310 ( 2.044 -6.851 -1.193) 7.248 4.365 ( -1.616 2.434 5.197) 5.962 4.428 ( -1.031 -4.014 3.072) 5.159 4.551 ( 2.053 1.582 -2.567) 3.647 4.562 ( 1.171 0.971 -2.285) 2.745 4.627 ( -0.472 -1.233 -2.574) 2.892 4.683 ( -0.827 -4.167 4.226) 5.992 4.761 ( 2.011 0.930 -2.159) 3.094 4.863 ( 3.460 -5.800 -2.053) 7.059 4.962 ( -2.613 -3.471 0.879) 4.432 4.982 ( -1.472 -4.780 0.882) 5.079 5.096 ( -2.457 2.530 -2.334) 4.229 5.117 ( -0.463 0.450 0.234) 0.687 5.362 ( -0.465 2.286 4.675) 5.225 5.400 ( 0.512 2.219 4.596) 5.129 5.443 ( -3.183 -2.322 0.778) 4.016 5.496 ( -1.548 -0.680 -1.652) 2.364 5.547 ( -1.234 2.174 -2.927) 3.850 5.637 ( 0.176 3.635 -0.861) 3.740 5.699 ( -0.402 -6.146 -3.058) 6.877 5.773 ( 1.833 -6.317 0.735) 6.618 5.846 ( -3.518 4.846 -2.941) 6.672 5.922 ( -1.743 -0.906 -0.459) 2.018 6.059 ( 2.492 -1.574 1.478) 3.297 6.062 ( -1.054 -2.420 6.676) 7.179 6.182 ( 2.314 2.106 -3.673) 4.825 6.225 ( 0.905 -1.765 -3.807) 4.292 6.576 ( 2.332 0.872 0.773) 2.607 6.578 ( 3.392 0.918 2.569) 4.353 6.685 ( 3.139 1.342 -0.548) 3.458 6.703 ( 4.684 -0.401 -1.388) 4.902 7.917 ( 0.137 0.007 0.147) 0.201 7.918 ( 0.053 -0.150 -0.091) 0.183 8.966 ( 4.214 2.804 0.200) 5.066 8.974 ( 4.646 2.091 0.148) 5.096 10.197 ( 0.001 0.626 -0.731) 0.962 10.208 ( 1.352 -0.388 0.522) 1.500 10.461 ( -0.139 0.332 0.534) 0.644 10.483 ( 0.519 -1.693 -0.478) 1.834 10.552 ( -0.318 0.307 -0.054) 0.445 10.565 ( 0.213 -1.009 -0.059) 1.033 11.014 ( -2.272 3.746 2.809) 5.204 11.089 ( -3.366 -2.468 2.528) 4.880 11.143 ( 0.180 4.906 -2.317) 5.428 11.230 ( 0.478 -0.420 -1.637) 1.756 11.310 ( -4.026 -3.653 0.565) 5.465 11.361 ( -1.054 -6.160 -1.609) 6.453 ======================= Grid point 93 (51/72) ======================= q-point: (-0.25 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -16.563 3.099 9.645) 19.416 1.266 ( -7.970 -2.633 4.540) 9.543 1.414 ( -9.125 6.268 -1.447) 11.165 1.506 ( -5.668 1.163 -2.477) 6.294 1.534 ( -5.212 -0.205 -2.254) 5.683 1.592 ( -2.197 2.014 -2.418) 3.838 1.723 ( -6.540 1.932 -6.693) 9.555 1.881 ( -5.406 -4.941 0.270) 7.328 1.929 ( -1.675 -1.928 -2.989) 3.931 1.985 ( -0.686 -3.676 -1.849) 4.172 2.129 ( -0.112 8.519 2.411) 8.855 2.233 ( -0.794 -1.119 3.387) 3.654 2.403 ( -4.444 9.917 2.683) 11.194 2.526 ( 0.233 -1.343 6.451) 6.593 2.646 ( -2.036 7.191 -3.742) 8.358 2.822 ( -0.416 -5.854 -2.901) 6.547 2.928 ( 0.492 -1.944 0.107) 2.008 3.001 ( -2.410 -3.865 -0.608) 4.595 3.051 ( 1.957 1.258 -2.824) 3.659 3.110 ( 0.631 -1.177 -3.235) 3.500 3.149 ( 1.601 2.677 -0.563) 3.169 3.214 ( 2.122 -3.658 1.662) 4.544 3.365 ( 1.022 2.985 0.500) 3.194 3.402 ( 2.310 -0.404 0.402) 2.379 3.417 ( 0.637 0.377 0.602) 0.954 3.450 ( 0.044 -1.031 0.588) 1.188 3.586 ( 1.349 1.423 1.152) 2.275 3.618 ( 3.000 -0.875 -1.625) 3.522 3.686 ( -1.254 4.557 0.407) 4.744 3.785 ( -0.539 -3.522 1.203) 3.760 3.861 ( 3.183 8.036 -0.254) 8.647 3.967 ( 2.167 -1.241 1.669) 3.004 4.061 ( 0.371 4.716 -0.888) 4.814 4.096 ( 2.076 1.196 4.639) 5.221 4.146 ( 3.084 4.559 1.496) 5.704 4.253 ( 4.448 2.835 2.245) 5.732 4.286 ( 1.493 -0.654 -0.238) 1.647 4.341 ( -0.399 -0.854 1.851) 2.077 4.402 ( 0.255 -5.609 1.763) 5.885 4.436 ( -0.193 -1.812 3.749) 4.169 4.481 ( -0.761 -0.435 -6.350) 6.411 4.554 ( 0.256 -4.864 -5.748) 7.534 4.619 ( 0.269 1.880 2.472) 3.117 4.687 ( -3.480 -4.534 1.310) 5.863 4.713 ( -3.752 5.513 -2.855) 7.254 4.847 ( -4.475 -5.620 -3.260) 7.889 4.968 ( -1.186 -1.004 -1.179) 1.951 4.991 ( -0.188 -2.613 -0.417) 2.653 5.020 ( 3.306 4.053 0.317) 5.239 5.144 ( 2.649 -5.574 2.880) 6.810 5.355 ( -1.286 0.872 -1.306) 2.029 5.390 ( -3.211 0.024 -2.196) 3.890 5.416 ( -2.716 1.267 3.441) 4.563 5.487 ( -1.895 -3.394 6.374) 7.466 5.506 ( 0.462 3.409 -3.486) 4.898 5.632 ( -0.231 -6.577 -4.913) 8.213 5.644 ( -2.110 2.000 -1.022) 3.082 5.732 ( -4.848 -5.273 0.249) 7.167 5.790 ( 1.085 6.764 -1.760) 7.073 5.926 ( 1.126 -3.964 -0.031) 4.121 6.084 ( 0.555 0.130 -0.249) 0.622 6.139 ( 0.856 -3.363 5.580) 6.571 6.183 ( 1.898 1.095 -2.839) 3.586 6.204 ( 1.188 -0.621 -1.552) 2.051 6.645 ( 3.163 2.752 1.287) 4.386 6.672 ( 2.867 0.050 2.028) 3.512 6.749 ( 5.615 3.679 -0.835) 6.764 6.819 ( 8.144 -2.834 0.123) 8.623 7.911 ( -0.123 0.579 -0.422) 0.727 7.928 ( 0.577 -0.859 0.157) 1.047 9.062 ( 5.747 3.190 0.110) 6.574 9.081 ( 7.092 1.398 -0.235) 7.232 10.180 ( -0.280 2.829 -1.684) 3.304 10.233 ( 1.518 -2.087 -0.592) 2.648 10.465 ( 0.923 0.877 -0.060) 1.275 10.495 ( 2.239 -1.740 -0.699) 2.920 10.556 ( 0.686 1.010 0.128) 1.227 10.581 ( 0.344 -1.556 0.802) 1.784 10.995 ( -3.379 3.533 2.756) 5.612 11.041 ( -3.737 0.689 0.900) 3.905 11.126 ( -1.901 0.644 1.540) 2.530 11.213 ( -2.941 -5.534 -0.627) 6.298 11.222 ( -3.625 1.833 -0.250) 4.070 11.312 ( -2.422 -5.724 -2.226) 6.602 ======================= Grid point 94 (52/72) ======================= q-point: (-0.12 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -15.705 7.836 10.748) 20.581 1.185 ( -7.605 -9.142 4.950) 12.880 1.276 ( -2.481 6.824 -1.875) 7.499 1.388 ( -5.042 -3.116 -1.204) 6.048 1.465 ( -1.807 4.128 0.024) 4.506 1.571 ( 1.696 -3.036 -0.279) 3.489 1.595 ( -3.771 5.932 0.585) 7.054 1.808 ( -3.757 -7.182 4.053) 9.062 1.848 ( -0.902 2.007 -5.004) 5.467 1.928 ( -2.242 -4.721 -2.351) 5.731 2.169 ( 0.017 4.702 -2.267) 5.220 2.201 ( -3.259 0.402 -0.455) 3.315 2.323 ( -4.388 15.551 -0.283) 16.160 2.555 ( -3.399 -4.468 2.067) 5.982 2.684 ( 4.848 3.424 2.557) 6.462 2.803 ( 0.542 -6.384 1.184) 6.515 2.897 ( -1.552 2.169 -3.851) 4.684 2.963 ( 2.065 -3.823 -1.895) 4.740 3.039 ( -0.412 -1.544 -1.514) 2.201 3.067 ( -0.164 -3.368 -1.903) 3.872 3.212 ( 0.617 3.579 5.615) 6.687 3.288 ( 3.439 -1.862 0.881) 4.008 3.356 ( -0.811 2.775 -1.224) 3.140 3.394 ( -3.762 -1.010 -1.480) 4.167 3.447 ( 1.236 0.825 -0.886) 1.730 3.464 ( 2.457 -0.363 -0.423) 2.520 3.626 ( 1.166 1.574 0.660) 2.067 3.647 ( -0.175 -1.061 -0.204) 1.094 3.705 ( 2.836 5.636 0.766) 6.356 3.795 ( 0.534 -3.158 1.653) 3.605 3.924 ( 4.190 8.093 -0.809) 9.149 3.999 ( -0.108 6.438 -1.870) 6.704 4.089 ( 1.269 3.931 0.032) 4.130 4.130 ( 1.651 -2.698 0.824) 3.269 4.198 ( -1.508 2.538 0.399) 2.979 4.296 ( 1.982 2.632 -0.066) 3.295 4.312 ( 1.774 0.144 -0.976) 2.030 4.356 ( -0.406 -2.757 -1.477) 3.154 4.391 ( 0.556 -2.458 -4.489) 5.149 4.409 ( -0.044 1.439 -1.909) 2.391 4.468 ( 0.594 -2.898 2.666) 3.982 4.531 ( -7.004 6.465 -0.710) 9.558 4.598 ( -2.905 -4.417 6.930) 8.717 4.649 ( 2.095 -1.765 0.494) 2.784 4.673 ( -0.968 -0.192 -0.904) 1.339 4.724 ( -3.164 -7.674 -1.388) 8.416 4.917 ( -1.975 -0.635 1.505) 2.564 4.961 ( -0.794 -4.606 -1.088) 4.799 5.135 ( 4.367 5.445 0.154) 6.982 5.225 ( 2.101 -2.409 0.453) 3.228 5.314 ( -2.982 1.961 0.018) 3.568 5.349 ( 0.969 -1.399 0.803) 1.882 5.373 ( -0.855 -0.491 -0.820) 1.283 5.460 ( -3.454 -7.403 -4.012) 9.101 5.518 ( -0.106 3.343 3.696) 4.985 5.588 ( -0.228 -1.291 4.282) 4.478 5.647 ( 0.185 -1.556 1.240) 1.998 5.675 ( -2.285 -2.705 1.257) 3.758 5.807 ( 2.168 3.668 -2.165) 4.779 5.926 ( 0.313 -5.510 -2.383) 6.012 6.074 ( -0.226 3.084 -2.065) 3.719 6.158 ( -0.270 -3.858 -1.074) 4.014 6.215 ( 2.115 1.951 1.149) 3.098 6.251 ( 1.050 -1.812 4.393) 4.866 6.690 ( 1.417 2.320 -0.202) 2.726 6.714 ( 1.174 0.037 0.089) 1.178 6.839 ( 4.366 5.309 -0.713) 6.911 6.939 ( 5.099 -4.220 -1.401) 6.766 7.909 ( 0.167 1.172 0.033) 1.184 7.940 ( 0.623 -1.563 -0.042) 1.683 9.146 ( 3.663 3.813 -0.642) 5.327 9.188 ( 5.137 -0.273 -1.545) 5.372 10.170 ( 0.445 4.197 -0.102) 4.222 10.249 ( 0.864 -3.379 -0.605) 3.540 10.509 ( 3.153 2.129 0.453) 3.832 10.551 ( 3.595 -1.070 0.270) 3.760 10.577 ( 2.808 0.315 -2.422) 3.722 10.581 ( 1.120 -1.094 -0.871) 1.791 10.930 ( -5.390 3.149 0.482) 6.261 10.983 ( -4.062 -0.661 -0.284) 4.125 11.088 ( -5.411 -0.709 1.800) 5.746 11.109 ( -7.377 -3.786 6.722) 10.674 11.215 ( 1.043 0.663 -1.349) 1.829 11.261 ( 0.391 -3.717 -2.801) 4.671 ======================= Grid point 119 (53/72) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -10.121 0.000 -19.683) 22.132 0.773 ( 10.121 0.000 19.683) 22.132 0.871 ( 7.527 0.000 -21.992) 23.245 0.871 ( -7.527 0.000 21.992) 23.245 1.560 ( -3.237 0.000 -31.374) 31.540 1.560 ( 3.237 0.000 31.374) 31.540 1.769 ( -5.904 0.000 -2.020) 6.240 1.769 ( 5.904 0.000 2.020) 6.240 1.998 ( 2.628 0.000 -2.701) 3.769 1.998 ( -2.628 0.000 2.701) 3.769 2.091 ( -0.596 0.000 -8.448) 8.469 2.091 ( 0.596 0.000 8.448) 8.469 2.274 ( -0.448 0.000 -5.446) 5.464 2.274 ( 0.448 0.000 5.446) 5.464 2.731 ( 0.957 0.000 -3.437) 3.568 2.731 ( -0.957 0.000 3.437) 3.568 3.018 ( -4.900 0.000 -4.729) 6.810 3.018 ( 4.900 0.000 4.729) 6.810 3.057 ( -5.498 0.000 -0.516) 5.522 3.057 ( 5.498 0.000 0.516) 5.522 3.077 ( -0.327 0.000 -1.172) 1.217 3.077 ( 0.327 0.000 1.172) 1.217 3.328 ( -1.242 0.000 -0.218) 1.261 3.328 ( 1.242 0.000 0.218) 1.261 3.477 ( 3.060 0.000 -2.398) 3.888 3.477 ( -3.060 0.000 2.398) 3.888 3.559 ( -4.706 0.000 -4.515) 6.522 3.559 ( 4.706 0.000 4.515) 6.522 3.653 ( 2.390 0.000 -4.117) 4.760 3.653 ( -2.390 0.000 4.117) 4.760 3.690 ( -3.796 0.000 -2.250) 4.412 3.690 ( 3.796 0.000 2.250) 4.412 3.845 ( 4.214 0.000 -6.226) 7.518 3.845 ( -4.214 0.000 6.226) 7.518 4.150 ( -7.920 0.000 -4.035) 8.889 4.150 ( 7.920 0.000 4.035) 8.889 4.395 ( -5.789 0.000 -1.128) 5.898 4.395 ( 5.789 0.000 1.128) 5.898 4.432 ( 5.932 0.000 -7.685) 9.708 4.432 ( -5.932 0.000 7.685) 9.708 4.540 ( 3.829 0.000 -1.406) 4.079 4.540 ( -3.829 0.000 1.406) 4.079 4.773 ( -2.100 0.000 0.526) 2.165 4.773 ( 2.100 0.000 -0.526) 2.165 4.889 ( -5.283 0.000 0.661) 5.324 4.889 ( 5.283 0.000 -0.661) 5.324 5.024 ( 0.977 0.000 -4.718) 4.818 5.024 ( -0.977 0.000 4.718) 4.818 5.249 ( 0.277 0.000 -0.806) 0.852 5.249 ( -0.277 0.000 0.806) 0.852 5.302 ( -2.614 0.000 -9.533) 9.885 5.302 ( 2.614 0.000 9.533) 9.885 5.572 ( -0.563 0.000 -3.521) 3.566 5.572 ( 0.563 0.000 3.521) 3.566 5.688 ( 1.540 0.000 -8.670) 8.806 5.688 ( -1.540 0.000 8.670) 8.806 5.717 ( 1.239 0.000 -4.472) 4.640 5.717 ( -1.239 0.000 4.472) 4.640 6.087 ( 2.324 0.000 -3.677) 4.350 6.087 ( -2.324 0.000 3.677) 4.350 6.140 ( -1.086 0.000 -4.757) 4.879 6.140 ( 1.086 0.000 4.757) 4.879 6.523 ( 2.603 0.000 -1.792) 3.161 6.523 ( -2.603 0.000 1.792) 3.161 6.556 ( -5.230 0.000 0.223) 5.235 6.556 ( 5.230 0.000 -0.223) 5.235 6.623 ( -2.313 0.000 -1.527) 2.771 6.623 ( 2.313 0.000 1.527) 2.771 8.024 ( -0.461 0.000 -0.522) 0.696 8.024 ( 0.461 0.000 0.522) 0.696 8.721 ( 1.673 0.000 -5.387) 5.641 8.721 ( -1.673 0.000 5.387) 5.641 10.251 ( -2.669 0.000 -2.489) 3.650 10.251 ( 2.669 0.000 2.489) 3.650 10.504 ( -0.519 0.000 -0.886) 1.027 10.504 ( 0.519 0.000 0.886) 1.027 10.574 ( -11.104 0.000 0.267) 11.107 10.574 ( 11.104 0.000 -0.267) 11.107 11.023 ( -4.011 0.000 -4.286) 5.870 11.023 ( 4.011 0.000 4.286) 5.870 11.094 ( 2.629 0.000 -2.229) 3.447 11.094 ( -2.629 0.000 2.229) 3.447 11.591 ( -15.344 0.000 -2.258) 15.509 11.591 ( 15.344 0.000 2.258) 15.509 ======================= Grid point 121 (54/72) ======================= q-point: ( 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -1.717 0.000 -16.305) 16.395 0.746 ( 6.778 0.000 -20.700) 21.781 0.993 ( -1.070 0.000 20.465) 20.493 1.154 ( 10.415 0.000 16.443) 19.464 1.414 ( 20.803 0.000 -28.320) 35.139 1.650 ( -4.132 0.000 0.796) 4.208 1.785 ( -9.189 0.000 3.243) 9.744 1.936 ( 0.994 0.000 7.723) 7.787 1.981 ( 1.198 0.000 -10.660) 10.727 2.018 ( 4.480 0.000 7.965) 9.139 2.088 ( 5.454 0.000 -3.972) 6.747 2.167 ( 0.538 0.000 5.134) 5.162 2.265 ( 4.828 0.000 -1.344) 5.011 2.324 ( -1.838 0.000 11.567) 11.712 2.740 ( 1.402 0.000 0.286) 1.431 2.756 ( -0.521 0.000 5.506) 5.530 2.848 ( -3.490 0.000 -7.850) 8.591 3.001 ( -1.948 0.000 2.678) 3.312 3.047 ( -2.227 0.000 0.327) 2.251 3.085 ( 0.723 0.000 -0.440) 0.847 3.130 ( 6.477 0.000 -1.364) 6.619 3.173 ( 5.637 0.000 2.288) 6.084 3.233 ( -5.720 0.000 -3.091) 6.502 3.283 ( -4.547 0.000 2.385) 5.135 3.408 ( -5.875 0.000 -4.205) 7.224 3.527 ( -5.140 0.000 -1.821) 5.453 3.558 ( 3.398 0.000 0.422) 3.424 3.615 ( 1.879 0.000 3.731) 4.177 3.659 ( 2.924 0.000 0.176) 2.929 3.661 ( -3.278 0.000 4.071) 5.227 3.701 ( 4.535 0.000 2.288) 5.080 3.756 ( 2.977 0.000 0.726) 3.064 3.856 ( -1.152 0.000 5.889) 6.000 3.888 ( 5.088 0.000 -3.046) 5.930 3.995 ( -3.801 0.000 -2.251) 4.417 4.278 ( -3.024 0.000 -3.031) 4.281 4.304 ( 5.480 0.000 0.920) 5.557 4.369 ( 2.507 0.000 -11.807) 12.071 4.434 ( -3.790 0.000 -0.838) 3.881 4.453 ( -2.961 0.000 8.257) 8.772 4.587 ( 1.050 0.000 0.943) 1.411 4.710 ( 11.508 0.000 7.206) 13.578 4.731 ( -2.690 0.000 -0.243) 2.701 4.805 ( 1.015 0.000 6.579) 6.657 4.821 ( -2.428 0.000 -0.190) 2.435 4.974 ( 4.790 0.000 0.083) 4.791 5.016 ( 1.292 0.000 -1.307) 1.838 5.077 ( 1.910 0.000 4.412) 4.807 5.134 ( -4.315 0.000 -10.144) 11.024 5.268 ( 0.610 0.000 1.845) 1.943 5.269 ( 1.908 0.000 0.453) 1.961 5.386 ( 0.024 0.000 2.266) 2.266 5.531 ( -3.161 0.000 -2.984) 4.347 5.531 ( -0.662 0.000 0.693) 0.958 5.682 ( 1.855 0.000 -1.998) 2.726 5.720 ( -3.174 0.000 2.965) 4.344 5.745 ( 6.996 0.000 -5.662) 9.000 5.783 ( 1.417 0.000 6.870) 7.015 6.046 ( -6.889 0.000 1.011) 6.963 6.060 ( -0.974 0.000 -4.167) 4.279 6.069 ( -1.606 0.000 -2.140) 2.675 6.202 ( 0.888 0.000 4.217) 4.309 6.308 ( -10.749 0.000 -8.812) 13.900 6.502 ( -1.550 0.000 -3.245) 3.596 6.537 ( -0.411 0.000 0.194) 0.454 6.541 ( -3.384 0.000 -0.395) 3.407 6.601 ( -0.624 0.000 -0.905) 1.099 6.654 ( -0.871 0.000 1.779) 1.981 8.014 ( -0.150 0.000 -0.235) 0.279 8.034 ( 0.056 0.000 0.244) 0.250 8.663 ( -1.760 0.000 -5.151) 5.443 8.696 ( -5.079 0.000 2.799) 5.799 10.112 ( -4.861 0.000 -7.235) 8.716 10.287 ( 0.543 0.000 1.250) 1.363 10.460 ( -0.871 0.000 -1.043) 1.359 10.487 ( -0.473 0.000 -0.669) 0.819 10.514 ( -0.040 0.000 0.142) 0.148 10.744 ( 9.515 0.000 -3.922) 10.292 10.949 ( -1.127 0.000 -1.919) 2.226 11.040 ( -4.909 0.000 1.184) 5.049 11.125 ( 3.977 0.000 -2.917) 4.932 11.170 ( 6.347 0.000 2.604) 6.861 11.380 ( -8.924 0.000 4.879) 10.170 11.870 ( 7.061 0.000 7.893) 10.590 ======================= Grid point 122 (55/72) ======================= q-point: ( 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 15.287 0.000 -0.553) 15.297 0.845 ( 19.012 0.000 -7.933) 20.601 1.216 ( 5.515 0.000 14.992) 15.974 1.438 ( 8.948 0.000 9.782) 13.257 1.596 ( -13.005 0.000 2.978) 13.342 1.616 ( -5.487 0.000 5.233) 7.582 1.676 ( 26.955 0.000 -13.628) 30.204 1.800 ( -4.922 0.000 -7.098) 8.637 1.887 ( 2.841 0.000 -14.422) 14.699 2.008 ( -6.904 0.000 -6.968) 9.809 2.128 ( -3.949 0.000 6.720) 7.794 2.194 ( -2.208 0.000 4.120) 4.674 2.406 ( 9.462 0.000 -2.707) 9.842 2.466 ( 3.784 0.000 1.601) 4.109 2.693 ( 1.553 0.000 -1.905) 2.458 2.810 ( 1.153 0.000 3.899) 4.066 2.867 ( 0.167 0.000 2.657) 2.662 2.978 ( -5.255 0.000 4.576) 6.968 3.026 ( 0.477 0.000 -2.141) 2.193 3.051 ( -3.882 0.000 -5.968) 7.119 3.133 ( 0.238 0.000 0.223) 0.326 3.198 ( -5.608 0.000 2.453) 6.121 3.243 ( 6.863 0.000 -1.351) 6.995 3.301 ( 2.808 0.000 4.156) 5.016 3.339 ( -1.523 0.000 3.339) 3.670 3.413 ( -3.321 0.000 -1.436) 3.618 3.590 ( -6.933 0.000 4.406) 8.214 3.619 ( 2.265 0.000 0.490) 2.318 3.624 ( 0.064 0.000 0.545) 0.549 3.722 ( 1.033 0.000 4.720) 4.831 3.797 ( 3.296 0.000 -1.049) 3.459 3.806 ( 2.498 0.000 -0.260) 2.511 3.912 ( 2.832 0.000 -1.516) 3.212 3.923 ( 1.908 0.000 5.403) 5.729 4.014 ( 1.291 0.000 0.734) 1.485 4.209 ( -2.332 0.000 -2.130) 3.158 4.262 ( -3.723 0.000 -4.374) 5.744 4.356 ( -0.958 0.000 -3.468) 3.598 4.390 ( 5.201 0.000 -6.604) 8.406 4.485 ( 0.185 0.000 3.389) 3.394 4.624 ( -2.360 0.000 4.748) 5.302 4.650 ( -3.050 0.000 0.064) 3.051 4.750 ( -2.587 0.000 0.804) 2.709 4.819 ( 2.272 0.000 1.350) 2.643 4.979 ( 5.010 0.000 -0.510) 5.035 5.005 ( -2.845 0.000 -0.190) 2.851 5.048 ( 1.633 0.000 0.271) 1.655 5.071 ( 4.416 0.000 2.721) 5.187 5.155 ( 0.380 0.000 3.237) 3.259 5.255 ( -2.528 0.000 -3.467) 4.291 5.316 ( 2.130 0.000 0.946) 2.331 5.367 ( -4.721 0.000 -2.058) 5.150 5.442 ( -0.754 0.000 -6.018) 6.065 5.594 ( 2.165 0.000 8.772) 9.035 5.622 ( -3.963 0.000 -1.352) 4.187 5.698 ( 3.395 0.000 -4.363) 5.528 5.798 ( 3.961 0.000 -4.851) 6.262 5.867 ( 0.484 0.000 5.705) 5.726 5.934 ( -2.956 0.000 -0.320) 2.973 5.986 ( -1.699 0.000 -4.641) 4.943 6.068 ( 0.945 0.000 2.327) 2.511 6.142 ( -2.475 0.000 -2.843) 3.770 6.246 ( 0.149 0.000 2.760) 2.764 6.414 ( -4.213 0.000 -1.771) 4.570 6.503 ( -1.595 0.000 -0.106) 1.598 6.526 ( -0.589 0.000 -0.402) 0.713 6.567 ( -2.271 0.000 0.315) 2.293 6.628 ( -3.070 0.000 0.462) 3.105 8.010 ( -0.181 0.000 -0.167) 0.246 8.030 ( -0.430 0.000 -0.239) 0.492 8.583 ( -2.071 0.000 -3.525) 4.088 8.634 ( -4.531 0.000 2.658) 5.253 10.055 ( 3.117 0.000 -1.534) 3.474 10.303 ( 0.110 0.000 0.444) 0.458 10.464 ( 0.786 0.000 -0.030) 0.786 10.482 ( 0.428 0.000 0.460) 0.628 10.505 ( -0.503 0.000 -0.878) 1.012 10.839 ( 5.465 0.000 -2.983) 6.226 10.930 ( -0.434 0.000 -0.017) 0.435 10.931 ( -6.572 0.000 -1.899) 6.841 11.180 ( 5.482 0.000 -3.182) 6.338 11.244 ( 1.134 0.000 0.014) 1.134 11.399 ( 1.850 0.000 8.845) 9.036 11.927 ( -3.888 0.000 0.392) 3.908 ======================= Grid point 123 (56/72) ======================= q-point: ( 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 15.082 0.000 5.331) 15.997 1.115 ( 8.699 0.000 2.854) 9.155 1.356 ( -0.083 0.000 -2.447) 2.448 1.398 ( -3.888 0.000 -2.371) 4.554 1.575 ( -0.181 0.000 10.792) 10.793 1.703 ( 2.117 0.000 0.706) 2.231 1.777 ( 5.464 0.000 -9.029) 10.554 1.813 ( -2.150 0.000 1.575) 2.665 1.815 ( 3.222 0.000 7.355) 8.030 1.992 ( -15.376 0.000 4.362) 15.983 2.015 ( 16.203 0.000 -11.311) 19.760 2.221 ( -0.620 0.000 2.573) 2.646 2.410 ( -0.271 0.000 -13.925) 13.928 2.436 ( 2.357 0.000 -10.040) 10.313 2.794 ( -1.912 0.000 5.851) 6.156 2.842 ( 1.906 0.000 6.019) 6.314 2.871 ( 1.888 0.000 1.007) 2.140 2.907 ( -3.714 0.000 -5.078) 6.291 3.007 ( 5.932 0.000 2.266) 6.350 3.023 ( 0.789 0.000 -0.590) 0.985 3.161 ( 0.519 0.000 1.279) 1.380 3.182 ( -0.224 0.000 4.248) 4.254 3.269 ( 0.409 0.000 -3.752) 3.775 3.323 ( -4.646 0.000 2.576) 5.312 3.345 ( -2.496 0.000 2.634) 3.629 3.396 ( 0.932 0.000 -5.009) 5.095 3.521 ( -5.646 0.000 6.868) 8.891 3.631 ( -2.010 0.000 -1.781) 2.686 3.676 ( 2.196 0.000 2.127) 3.057 3.741 ( 0.145 0.000 -0.006) 0.145 3.794 ( 0.464 0.000 -5.224) 5.245 3.837 ( 0.556 0.000 -0.441) 0.710 3.984 ( 1.877 0.000 0.902) 2.083 4.000 ( 1.060 0.000 3.614) 3.767 4.087 ( 5.274 0.000 12.467) 13.536 4.165 ( -0.043 0.000 -0.799) 0.800 4.167 ( -1.828 0.000 -3.823) 4.237 4.314 ( 0.955 0.000 -3.231) 3.369 4.422 ( 4.941 0.000 -5.882) 7.682 4.493 ( -3.500 0.000 -1.900) 3.983 4.524 ( -2.212 0.000 3.483) 4.126 4.701 ( -3.840 0.000 0.204) 3.845 4.755 ( 3.510 0.000 6.217) 7.139 4.917 ( 2.362 0.000 5.342) 5.841 4.993 ( -0.577 0.000 5.246) 5.277 4.994 ( 3.838 0.000 -10.142) 10.844 5.056 ( -8.201 0.000 -6.785) 10.644 5.095 ( 1.640 0.000 3.533) 3.895 5.148 ( -2.769 0.000 -5.933) 6.548 5.176 ( 3.846 0.000 2.456) 4.563 5.260 ( -2.502 0.000 -1.884) 3.132 5.319 ( -1.222 0.000 -2.534) 2.813 5.428 ( 3.850 0.000 -2.591) 4.641 5.550 ( -3.132 0.000 -0.801) 3.233 5.711 ( 5.219 0.000 -7.800) 9.385 5.745 ( -0.507 0.000 11.867) 11.878 5.796 ( 1.631 0.000 -3.612) 3.963 5.878 ( -5.102 0.000 2.324) 5.607 5.888 ( -2.304 0.000 1.861) 2.962 5.938 ( 0.578 0.000 -4.001) 4.042 6.138 ( 3.442 0.000 3.706) 5.058 6.149 ( 1.405 0.000 4.343) 4.565 6.253 ( -1.296 0.000 0.368) 1.347 6.334 ( -3.556 0.000 -1.241) 3.766 6.483 ( -0.500 0.000 0.541) 0.736 6.515 ( 0.282 0.000 -1.096) 1.132 6.536 ( -1.934 0.000 0.920) 2.142 6.566 ( -3.364 0.000 -1.018) 3.515 8.006 ( -0.158 0.000 -0.031) 0.161 8.017 ( -0.474 0.000 -0.510) 0.696 8.534 ( -0.123 0.000 -2.105) 2.109 8.582 ( -4.356 0.000 2.545) 5.046 10.143 ( 4.489 0.000 3.262) 5.549 10.293 ( -0.996 0.000 -1.137) 1.512 10.467 ( -0.344 0.000 0.544) 0.644 10.485 ( -0.307 0.000 -1.469) 1.501 10.529 ( 3.336 0.000 2.109) 3.946 10.782 ( -7.617 0.000 -1.902) 7.851 10.891 ( 4.136 0.000 -4.149) 5.858 10.924 ( -1.022 0.000 1.130) 1.524 11.241 ( 4.702 0.000 -3.461) 5.838 11.261 ( -0.202 0.000 2.186) 2.196 11.533 ( 3.674 0.000 7.678) 8.512 11.812 ( -5.082 0.000 -5.208) 7.276 ======================= Grid point 124 (57/72) ======================= q-point: (-0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -9.395 0.000 0.012) 9.395 1.074 ( 9.395 0.000 -0.012) 9.395 1.378 ( -4.225 0.000 -1.905) 4.634 1.378 ( 4.225 0.000 1.905) 4.634 1.685 ( 2.998 0.000 -6.703) 7.343 1.685 ( -2.998 0.000 6.703) 7.343 1.734 ( 11.750 0.000 -7.070) 13.713 1.734 ( -11.750 0.000 7.070) 13.713 1.993 ( -4.772 0.000 -7.859) 9.194 1.993 ( 4.772 0.000 7.859) 9.194 2.081 ( -11.186 0.000 -8.425) 14.004 2.081 ( 11.186 0.000 8.425) 14.004 2.375 ( -0.875 0.000 -4.623) 4.705 2.375 ( 0.875 0.000 4.623) 4.705 2.791 ( 0.023 0.000 -6.511) 6.511 2.791 ( -0.023 0.000 6.511) 6.511 2.939 ( -1.528 0.000 -0.152) 1.536 2.939 ( 1.528 0.000 0.152) 1.536 3.116 ( -5.676 0.000 -5.945) 8.220 3.116 ( 5.676 0.000 5.945) 8.220 3.172 ( -7.405 0.000 -4.291) 8.558 3.172 ( 7.405 0.000 4.291) 8.558 3.238 ( -3.279 0.000 -1.318) 3.534 3.238 ( 3.279 0.000 1.318) 3.534 3.332 ( -0.248 0.000 -2.352) 2.365 3.332 ( 0.248 0.000 2.352) 2.365 3.538 ( 0.149 0.000 -7.384) 7.386 3.538 ( -0.149 0.000 7.384) 7.386 3.734 ( -0.760 0.000 -4.279) 4.346 3.734 ( 0.760 0.000 4.279) 4.346 3.802 ( -2.860 0.000 -1.538) 3.247 3.802 ( 2.860 0.000 1.538) 3.247 4.011 ( -1.183 0.000 0.124) 1.190 4.011 ( 1.183 0.000 -0.124) 1.190 4.141 ( 1.033 0.000 -1.485) 1.809 4.141 ( -1.033 0.000 1.485) 1.809 4.305 ( 0.956 0.000 -8.571) 8.624 4.305 ( -0.956 0.000 8.571) 8.624 4.438 ( 2.293 0.000 -3.666) 4.324 4.438 ( -2.293 0.000 3.666) 4.324 4.584 ( -5.446 0.000 -4.388) 6.994 4.584 ( 5.446 0.000 4.388) 6.994 4.876 ( -4.721 0.000 -4.851) 6.769 4.876 ( 4.721 0.000 4.851) 6.769 4.947 ( 2.012 0.000 -7.045) 7.327 4.947 ( -2.012 0.000 7.045) 7.327 5.068 ( -0.783 0.000 -5.159) 5.218 5.068 ( 0.783 0.000 5.159) 5.218 5.186 ( -3.094 0.000 -4.761) 5.678 5.186 ( 3.094 0.000 4.761) 5.678 5.259 ( -2.197 0.000 -3.362) 4.016 5.259 ( 2.197 0.000 3.362) 4.016 5.483 ( -3.443 0.000 -0.390) 3.465 5.483 ( 3.443 0.000 0.390) 3.465 5.767 ( 7.809 0.000 -5.044) 9.296 5.767 ( -7.809 0.000 5.044) 9.296 5.797 ( 3.179 0.000 -5.034) 5.953 5.797 ( -3.179 0.000 5.034) 5.953 5.907 ( 0.426 0.000 -4.380) 4.401 5.907 ( -0.426 0.000 4.380) 4.401 6.211 ( -2.276 0.000 -2.090) 3.090 6.211 ( 2.276 0.000 2.090) 3.090 6.249 ( -3.658 0.000 -3.697) 5.201 6.249 ( 3.658 0.000 3.697) 5.201 6.505 ( -1.793 0.000 -1.568) 2.382 6.505 ( 1.793 0.000 1.568) 2.382 6.518 ( 1.269 0.000 -1.198) 1.745 6.518 ( -1.269 0.000 1.198) 1.745 8.007 ( -0.152 0.000 -0.363) 0.393 8.007 ( 0.152 0.000 0.363) 0.393 8.539 ( 2.627 0.000 -1.824) 3.199 8.539 ( -2.627 0.000 1.824) 3.199 10.241 ( -2.730 0.000 -3.062) 4.102 10.241 ( 2.730 0.000 3.062) 4.102 10.470 ( 0.219 0.000 -1.297) 1.315 10.470 ( -0.219 0.000 1.297) 1.315 10.636 ( -5.911 0.000 -3.000) 6.628 10.636 ( 5.911 0.000 3.000) 6.628 10.914 ( 2.137 0.000 -2.393) 3.208 10.914 ( -2.137 0.000 2.393) 3.208 11.270 ( 2.242 0.000 -3.361) 4.041 11.270 ( -2.242 0.000 3.361) 4.041 11.671 ( -4.201 0.000 -6.798) 7.992 11.671 ( 4.201 0.000 6.798) 7.992 ======================= Grid point 129 (58/72) ======================= q-point: ( 0.00 0.14 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -2.427 4.639 -15.950) 16.787 0.775 ( 2.427 4.639 15.950) 16.787 0.987 ( 7.015 7.758 -17.219) 20.147 0.987 ( -7.015 7.758 17.219) 20.147 1.598 ( -6.521 0.557 -16.877) 18.102 1.598 ( 6.521 0.557 16.877) 18.102 1.804 ( -2.526 4.141 -11.534) 12.513 1.804 ( 2.526 4.141 11.534) 12.513 1.984 ( -0.779 -0.949 -5.062) 5.209 1.984 ( 0.779 -0.949 5.062) 5.209 2.084 ( 0.001 -0.353 -6.143) 6.153 2.084 ( -0.001 -0.353 6.143) 6.153 2.226 ( -2.355 -3.395 -7.823) 8.847 2.226 ( 2.355 -3.395 7.823) 8.847 2.763 ( 1.221 2.885 -4.878) 5.797 2.763 ( -1.221 2.885 4.878) 5.797 2.950 ( -1.976 -4.978 -6.129) 8.139 2.950 ( 1.976 -4.978 6.129) 8.139 3.097 ( 0.190 2.504 -2.271) 3.386 3.097 ( -0.190 2.504 2.271) 3.386 3.130 ( 1.020 4.450 -1.448) 4.789 3.130 ( -1.020 4.450 1.448) 4.789 3.339 ( -1.490 0.364 -2.126) 2.622 3.339 ( 1.490 0.364 2.126) 2.622 3.473 ( -3.631 -3.696 -2.132) 5.603 3.473 ( 3.631 -3.696 2.132) 5.603 3.525 ( 0.144 2.438 -4.037) 4.718 3.525 ( -0.144 2.438 4.037) 4.718 3.632 ( 1.714 -1.219 -3.859) 4.395 3.632 ( -1.714 -1.219 3.859) 4.395 3.757 ( 0.735 5.017 -2.327) 5.579 3.757 ( -0.735 5.017 2.327) 5.579 3.938 ( 3.844 6.690 -4.498) 8.931 3.938 ( -3.844 6.690 4.498) 8.931 4.142 ( -1.916 -1.195 -5.306) 5.767 4.142 ( 1.916 -1.195 5.306) 5.767 4.323 ( -4.793 -2.011 -4.266) 6.724 4.323 ( 4.793 -2.011 4.266) 6.724 4.470 ( -2.171 -1.820 -2.410) 3.719 4.470 ( 2.171 -1.820 2.410) 3.719 4.546 ( -0.674 2.012 -4.659) 5.120 4.546 ( 0.674 2.012 4.659) 5.120 4.741 ( 1.231 -2.842 -0.680) 3.171 4.741 ( -1.231 -2.842 0.680) 3.171 4.910 ( -2.982 1.065 -0.939) 3.302 4.910 ( 2.982 1.065 0.939) 3.302 5.039 ( -0.996 1.093 -3.971) 4.237 5.039 ( 0.996 1.093 3.971) 4.237 5.178 ( -1.119 -3.711 -3.562) 5.264 5.178 ( 1.119 -3.711 3.562) 5.264 5.319 ( -1.753 -0.413 -4.254) 4.619 5.319 ( 1.753 -0.413 4.254) 4.619 5.525 ( -2.216 -2.814 -5.164) 6.285 5.525 ( 2.216 -2.814 5.164) 6.285 5.658 ( -2.249 -2.391 -0.876) 3.398 5.658 ( 2.249 -2.391 0.876) 3.398 5.751 ( 0.549 0.588 -3.397) 3.491 5.751 ( -0.549 0.588 3.397) 3.491 6.042 ( -1.006 -6.016 -2.289) 6.514 6.042 ( 1.006 -6.016 2.289) 6.514 6.091 ( 2.586 -0.006 -4.364) 5.073 6.091 ( -2.586 -0.006 4.364) 5.073 6.410 ( -1.542 -5.589 -4.236) 7.180 6.410 ( 1.542 -5.589 4.236) 7.180 6.598 ( -1.160 2.540 -2.124) 3.508 6.598 ( 1.160 2.540 2.124) 3.508 6.762 ( -1.170 7.270 -8.624) 11.340 6.762 ( 1.170 7.270 8.624) 11.340 7.971 ( -0.400 -3.128 -0.534) 3.198 7.971 ( 0.400 -3.128 0.534) 3.198 8.878 ( 0.576 11.432 -4.167) 12.181 8.878 ( -0.576 11.432 4.167) 12.181 10.237 ( -3.135 -1.044 -4.110) 5.273 10.237 ( 3.135 -1.044 4.110) 5.273 10.499 ( 0.934 0.033 -1.074) 1.424 10.499 ( -0.934 0.033 1.074) 1.424 10.597 ( -8.422 1.478 0.229) 8.554 10.597 ( 8.422 1.478 -0.229) 8.554 10.967 ( -3.185 -3.991 -1.506) 5.324 10.967 ( 3.185 -3.991 1.506) 5.324 11.108 ( -2.340 0.497 -1.644) 2.903 11.108 ( 2.340 0.497 1.644) 2.903 11.497 ( -11.748 -7.399 1.450) 13.959 11.497 ( 11.748 -7.399 -1.450) 13.959 ======================= Grid point 131 (59/72) ======================= q-point: ( 0.12 0.14 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 9.810 18.400 -3.554) 21.153 0.952 ( 3.330 14.862 -11.255) 18.938 0.997 ( 2.219 2.281 15.520) 15.843 1.166 ( 7.583 2.915 13.519) 15.772 1.401 ( 13.378 0.429 -20.573) 24.544 1.656 ( -3.886 -3.782 0.166) 5.425 1.736 ( -3.110 0.476 -1.453) 3.465 1.922 ( -1.221 -4.973 -8.474) 9.901 1.954 ( -3.667 -0.796 -4.963) 6.222 2.008 ( 4.504 -3.812 0.571) 5.929 2.113 ( 4.422 3.112 5.591) 7.777 2.155 ( -1.481 -2.274 0.839) 2.840 2.210 ( 11.479 0.076 1.937) 11.641 2.334 ( -1.680 0.939 10.424) 10.600 2.738 ( -0.008 -0.996 -0.210) 1.018 2.791 ( -0.750 4.100 5.649) 7.020 2.832 ( -0.803 -1.056 -5.296) 5.459 2.987 ( -0.522 -1.322 3.522) 3.798 3.062 ( -2.747 1.652 -1.686) 3.622 3.117 ( 0.512 2.599 0.376) 2.676 3.168 ( 3.529 2.279 2.740) 5.016 3.215 ( 4.825 2.892 -0.333) 5.636 3.238 ( -4.908 0.753 -3.402) 6.019 3.305 ( -6.008 0.265 1.468) 6.190 3.396 ( -1.257 2.645 -0.320) 2.946 3.554 ( 2.546 -3.382 0.970) 4.343 3.584 ( -0.657 3.366 -1.644) 3.803 3.601 ( 1.196 -2.315 2.384) 3.532 3.620 ( 3.582 0.431 0.651) 3.666 3.670 ( 2.886 -1.352 1.733) 3.628 3.708 ( -3.378 2.172 -1.596) 4.321 3.750 ( 1.202 3.569 4.190) 5.633 3.930 ( -3.366 5.472 5.650) 8.555 3.974 ( 2.849 6.217 -2.487) 7.277 4.068 ( -1.451 5.390 -1.718) 5.840 4.187 ( -1.898 -4.412 -3.720) 6.075 4.273 ( 1.558 -4.192 6.234) 7.672 4.394 ( -2.097 -1.044 -1.796) 2.952 4.427 ( 1.945 -0.494 1.542) 2.530 4.458 ( -1.163 2.126 -4.995) 5.552 4.552 ( -0.196 -2.911 0.875) 3.046 4.614 ( 4.239 -4.017 1.171) 5.957 4.715 ( -2.910 -3.160 -1.657) 4.604 4.792 ( 3.273 -2.667 2.506) 4.910 4.880 ( 2.877 2.607 -1.653) 4.220 4.982 ( 5.055 -1.131 -3.187) 6.082 4.990 ( -0.461 -0.561 -2.090) 2.213 5.086 ( -0.592 0.164 1.991) 2.083 5.136 ( 1.230 0.837 -0.077) 1.489 5.216 ( 0.480 -2.734 -0.127) 2.779 5.261 ( -1.319 -1.009 1.830) 2.471 5.398 ( -0.299 1.662 -1.311) 2.137 5.419 ( -0.758 -6.277 0.738) 6.366 5.537 ( -3.334 -1.960 -0.248) 3.875 5.641 ( 1.827 -2.633 -0.176) 3.209 5.705 ( 4.746 -2.567 -4.690) 7.149 5.750 ( -0.493 1.273 1.575) 2.084 5.804 ( 1.516 -2.242 1.375) 3.035 5.979 ( -3.097 -3.494 -1.161) 4.811 6.024 ( -1.931 -1.463 -3.825) 4.528 6.053 ( -3.740 -0.555 0.873) 3.880 6.134 ( 1.512 -4.612 3.307) 5.873 6.294 ( -4.157 -2.785 -5.845) 7.694 6.439 ( -0.496 -3.649 0.272) 3.692 6.556 ( -1.647 2.346 -0.985) 3.031 6.612 ( -4.571 5.467 -0.753) 7.166 6.634 ( -1.975 3.272 -0.141) 3.825 6.830 ( -3.221 8.289 5.338) 10.372 7.963 ( -0.158 -4.030 0.185) 4.037 7.982 ( 0.087 -2.274 0.365) 2.305 8.820 ( -3.348 10.918 -1.176) 11.480 8.854 ( -6.108 12.228 2.450) 13.887 10.111 ( -3.499 0.260 -6.241) 7.160 10.287 ( -0.432 -0.198 1.807) 1.869 10.461 ( -1.347 0.223 -0.513) 1.459 10.499 ( 0.156 1.084 -0.423) 1.174 10.527 ( -0.653 0.979 -0.231) 1.199 10.739 ( 8.851 -1.138 -4.027) 9.790 10.909 ( -2.418 -3.804 0.531) 4.538 10.985 ( -1.732 -2.039 -0.905) 2.824 11.114 ( 3.092 -0.444 0.868) 3.242 11.191 ( 4.491 0.301 2.060) 4.950 11.353 ( -6.669 -2.483 3.440) 7.904 11.699 ( 9.318 -13.180 0.543) 16.150 ======================= Grid point 132 (60/72) ======================= q-point: ( 0.25 0.14 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 4.238 22.328 -8.831) 24.382 1.005 ( 18.223 15.969 2.159) 24.326 1.233 ( 6.449 2.058 13.825) 15.394 1.421 ( 9.232 -1.144 7.589) 12.006 1.572 ( -6.043 -2.334 2.555) 6.964 1.634 ( 17.622 -1.808 -4.928) 18.387 1.660 ( -4.668 1.811 -0.377) 5.021 1.772 ( -1.288 -2.625 -6.870) 7.467 1.820 ( 0.758 -4.923 -11.203) 12.261 2.027 ( -3.186 4.060 -10.508) 11.707 2.084 ( -2.472 -3.893 7.325) 8.656 2.243 ( 0.286 1.014 3.875) 4.016 2.360 ( 2.606 -6.016 -2.284) 6.942 2.409 ( 7.497 2.463 0.195) 7.894 2.739 ( -0.077 -5.066 -0.664) 5.110 2.845 ( 2.605 5.619 3.364) 7.048 2.878 ( 2.801 3.327 1.294) 4.537 2.979 ( -4.258 -0.254 -1.344) 4.472 3.023 ( -0.843 2.319 1.884) 3.104 3.078 ( -3.303 1.242 -2.501) 4.325 3.155 ( 0.370 1.155 -0.448) 1.293 3.210 ( -4.928 1.956 2.460) 5.845 3.268 ( 3.615 2.123 -1.644) 4.503 3.279 ( 2.557 -0.545 4.432) 5.146 3.399 ( -1.258 4.194 1.063) 4.505 3.512 ( -1.625 5.110 -2.317) 5.841 3.561 ( -6.007 0.154 1.542) 6.204 3.588 ( 0.710 -0.699 0.412) 1.078 3.669 ( 2.778 -0.517 -0.540) 2.877 3.699 ( 2.875 -4.120 -0.816) 5.090 3.756 ( 1.940 1.707 6.329) 6.836 3.845 ( 2.580 1.983 1.871) 3.753 3.924 ( -0.321 4.130 1.825) 4.527 4.001 ( 1.313 4.071 0.131) 4.280 4.053 ( -2.079 2.792 1.442) 3.768 4.120 ( -0.769 -3.634 -3.279) 4.954 4.272 ( -3.792 -0.225 0.032) 3.799 4.372 ( -2.177 0.529 -2.561) 3.403 4.430 ( 4.914 2.181 -4.132) 6.780 4.470 ( 1.540 -1.569 2.950) 3.679 4.571 ( 0.982 -4.914 5.832) 7.689 4.586 ( -5.901 -3.292 -3.560) 7.638 4.700 ( 2.044 -4.101 0.903) 4.671 4.820 ( -1.428 -0.847 2.906) 3.347 4.911 ( 0.579 -3.712 -2.409) 4.463 4.990 ( 1.571 -1.582 -0.708) 2.340 5.000 ( 3.769 -6.076 -7.833) 10.605 5.127 ( 1.306 1.903 3.900) 4.532 5.170 ( -3.257 1.303 1.714) 3.904 5.193 ( 2.574 -3.318 -3.757) 5.635 5.294 ( -1.281 2.159 4.190) 4.884 5.387 ( 0.699 0.928 0.213) 1.182 5.450 ( 3.014 -2.943 0.698) 4.270 5.527 ( 1.137 -4.097 1.162) 4.408 5.647 ( -2.544 0.569 -5.216) 5.831 5.672 ( 2.142 -0.697 -2.825) 3.614 5.759 ( 2.019 -3.229 -6.333) 7.390 5.825 ( 1.580 -1.808 3.248) 4.039 5.953 ( -1.207 -2.671 2.801) 4.054 5.971 ( -5.478 0.635 2.578) 6.088 6.002 ( 1.093 -2.801 -0.506) 3.049 6.183 ( 0.539 -5.325 2.085) 5.744 6.195 ( -2.790 1.573 -1.774) 3.662 6.405 ( -2.305 -1.708 -2.287) 3.669 6.501 ( -2.893 2.293 -0.706) 3.758 6.541 ( -1.867 2.889 1.134) 3.621 6.617 ( -1.722 3.358 0.104) 3.775 6.765 ( -7.022 7.284 1.564) 10.238 7.965 ( -0.098 -4.278 0.353) 4.293 7.980 ( -0.278 -1.931 -0.227) 1.964 8.740 ( -5.660 11.961 -0.662) 13.249 8.757 ( -4.801 9.473 1.421) 10.715 10.064 ( 2.490 0.999 -1.337) 2.998 10.284 ( -0.702 -1.405 0.431) 1.629 10.464 ( 0.986 -0.233 0.357) 1.074 10.498 ( -0.097 1.388 0.111) 1.396 10.513 ( -0.565 0.567 -0.626) 1.016 10.818 ( 4.149 -5.337 -5.814) 8.917 10.877 ( -2.555 0.134 2.709) 3.726 10.950 ( -0.826 1.230 -0.437) 1.545 11.178 ( 3.552 -0.328 -0.245) 3.576 11.246 ( 1.757 -0.196 -2.826) 3.333 11.367 ( 1.675 -2.936 8.060) 8.740 11.782 ( 0.988 -11.855 -2.111) 12.082 ======================= Grid point 133 (61/72) ======================= q-point: ( 0.38 0.14 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 10.394 11.188 -2.871) 15.538 1.284 ( 0.854 12.541 3.649) 13.089 1.372 ( 1.034 1.509 -0.550) 1.910 1.453 ( 0.969 4.737 -2.505) 5.446 1.573 ( 0.302 -2.831 4.301) 5.158 1.645 ( 1.233 -0.548 1.213) 1.814 1.774 ( 7.018 -0.614 6.577) 9.638 1.800 ( 5.690 2.410 0.455) 6.196 1.840 ( 1.061 0.937 -0.822) 1.637 2.011 ( 7.761 1.750 -5.448) 9.643 2.033 ( -7.518 -0.096 5.188) 9.135 2.227 ( -2.403 0.135 -2.345) 3.361 2.380 ( 3.671 -2.468 -5.343) 6.937 2.451 ( 2.776 1.992 -9.652) 10.239 2.755 ( -1.244 -2.975 3.492) 4.753 2.847 ( -2.775 -3.093 -5.415) 6.825 2.916 ( 0.247 2.161 0.701) 2.285 2.924 ( 4.333 6.510 2.543) 8.223 3.016 ( -0.745 0.044 -0.424) 0.858 3.061 ( 2.493 3.985 3.065) 5.612 3.172 ( -1.575 0.039 2.314) 2.800 3.184 ( 0.192 1.660 1.841) 2.487 3.290 ( 0.718 -0.264 -3.264) 3.353 3.313 ( -5.098 -1.143 1.854) 5.544 3.370 ( 0.962 1.979 -0.620) 2.286 3.467 ( -3.416 6.121 -1.085) 7.093 3.507 ( -0.979 0.079 0.518) 1.111 3.600 ( -0.678 -0.449 -0.157) 0.828 3.712 ( 1.353 -3.073 0.341) 3.374 3.739 ( 1.033 -3.313 -1.333) 3.718 3.767 ( -1.448 4.811 -1.621) 5.279 3.871 ( -0.191 3.807 -1.395) 4.059 3.974 ( 2.211 0.040 2.947) 3.685 4.010 ( -0.028 -4.684 1.500) 4.918 4.068 ( 1.323 2.421 4.364) 5.163 4.110 ( -0.286 -1.047 1.224) 1.636 4.233 ( 0.638 3.300 2.916) 4.450 4.316 ( 0.512 0.037 -3.836) 3.870 4.448 ( -1.684 -1.900 -0.400) 2.570 4.483 ( 0.324 2.249 -3.363) 4.059 4.523 ( 0.540 0.251 2.232) 2.310 4.670 ( -4.088 -3.376 -1.887) 5.627 4.688 ( 3.306 -5.267 6.670) 9.119 4.860 ( 1.004 -4.945 0.767) 5.104 4.894 ( -0.250 -3.219 0.599) 3.284 4.977 ( 2.897 -4.462 -3.083) 6.149 5.026 ( -0.951 -4.378 -0.994) 4.589 5.068 ( -1.841 -1.099 -2.584) 3.357 5.203 ( -0.533 4.065 2.629) 4.871 5.217 ( 4.232 1.596 -0.314) 4.534 5.300 ( -2.069 4.099 1.990) 5.004 5.345 ( -1.634 1.713 -4.720) 5.280 5.441 ( -0.301 0.348 -2.714) 2.752 5.509 ( -2.477 -4.388 -2.629) 5.683 5.674 ( 5.169 -1.531 -0.730) 5.440 5.709 ( 2.595 -4.076 -1.516) 5.065 5.744 ( 2.174 -3.023 0.263) 3.732 5.875 ( -5.080 1.072 0.469) 5.213 5.883 ( 0.054 0.228 1.943) 1.957 5.960 ( -2.048 -1.988 2.374) 3.713 6.057 ( 2.486 -4.275 2.850) 5.708 6.158 ( -1.486 -1.386 1.772) 2.696 6.202 ( 0.686 -2.329 0.893) 2.587 6.332 ( -2.695 -1.351 -2.623) 3.996 6.479 ( -0.416 0.782 1.478) 1.723 6.537 ( -0.146 2.627 1.513) 3.036 6.575 ( -1.806 2.808 -2.231) 4.016 6.647 ( -5.893 4.720 -0.928) 7.607 7.965 ( -0.205 -3.452 0.267) 3.468 7.972 ( -0.162 -2.291 -0.479) 2.346 8.659 ( -2.130 9.845 -1.004) 10.123 8.692 ( -4.264 8.686 1.583) 9.805 10.138 ( 3.873 -0.244 2.847) 4.813 10.269 ( -1.037 -1.853 -0.807) 2.272 10.478 ( -0.102 0.584 0.205) 0.628 10.488 ( -0.444 0.281 -0.916) 1.056 10.530 ( 2.581 0.105 1.908) 3.212 10.745 ( -4.830 -3.663 -3.388) 6.945 10.902 ( 2.594 1.636 -1.131) 3.268 10.940 ( -0.685 1.656 0.426) 1.842 11.230 ( 2.056 -1.083 0.370) 2.353 11.251 ( 1.659 -0.996 -2.100) 2.856 11.492 ( 3.489 -3.755 7.069) 8.732 11.725 ( -2.563 -7.600 -4.966) 9.433 ======================= Grid point 134 (62/72) ======================= q-point: (-0.50 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -8.444 5.778 -3.230) 10.730 1.135 ( 8.444 5.778 3.230) 10.730 1.399 ( -0.758 3.322 -1.506) 3.726 1.399 ( 0.758 3.322 1.506) 3.726 1.700 ( 0.209 1.319 -8.993) 9.092 1.700 ( -0.209 1.319 8.993) 9.092 1.811 ( 13.158 4.966 -4.924) 14.901 1.811 ( -13.158 4.966 4.924) 14.901 1.992 ( -3.971 0.422 -7.246) 8.274 1.992 ( 3.971 0.422 7.246) 8.274 2.074 ( -8.837 -0.540 -8.326) 12.154 2.074 ( 8.837 -0.540 8.326) 12.154 2.409 ( 1.071 3.134 -6.079) 6.923 2.409 ( -1.071 3.134 6.079) 6.923 2.758 ( -0.062 -1.420 -4.922) 5.123 2.758 ( 0.062 -1.420 4.922) 5.123 2.971 ( -2.594 0.551 -1.846) 3.231 2.971 ( 2.594 0.551 1.846) 3.231 3.101 ( -6.158 -1.989 -4.715) 8.007 3.101 ( 6.158 -1.989 4.715) 8.007 3.174 ( -1.116 2.914 -1.412) 3.425 3.174 ( 1.116 2.914 1.412) 3.425 3.238 ( 0.460 -0.504 -3.386) 3.454 3.238 ( -0.460 -0.504 3.386) 3.454 3.404 ( -2.552 4.394 -0.523) 5.108 3.404 ( 2.552 4.394 0.523) 5.108 3.531 ( -1.541 0.858 -3.578) 3.989 3.531 ( 1.541 0.858 3.578) 3.989 3.716 ( -0.364 -1.872 -0.847) 2.087 3.716 ( 0.364 -1.872 0.847) 2.087 3.820 ( -2.918 2.270 -2.167) 4.285 3.820 ( 2.918 2.270 2.167) 4.285 4.016 ( 0.068 -0.964 -1.439) 1.733 4.016 ( -0.068 -0.964 1.439) 1.733 4.097 ( 2.524 -2.145 -3.672) 4.945 4.097 ( -2.524 -2.145 3.672) 4.945 4.319 ( 2.330 0.376 -5.469) 5.957 4.319 ( -2.330 0.376 5.469) 5.957 4.453 ( -1.864 1.136 -4.639) 5.127 4.453 ( 1.864 1.136 4.639) 5.127 4.559 ( -2.193 -1.501 -3.490) 4.386 4.559 ( 2.193 -1.501 3.490) 4.386 4.802 ( -2.116 -6.474 -5.508) 8.760 4.802 ( 2.116 -6.474 5.508) 8.760 4.934 ( -3.415 0.785 -1.069) 3.663 4.934 ( 3.415 0.785 1.069) 3.663 5.044 ( -0.853 -3.976 -3.711) 5.505 5.044 ( 0.853 -3.976 3.711) 5.505 5.241 ( -0.891 5.011 -4.295) 6.660 5.241 ( 0.891 5.011 4.295) 6.660 5.286 ( -0.419 0.982 -3.323) 3.491 5.286 ( 0.419 0.982 3.323) 3.491 5.447 ( -1.805 -2.662 -0.695) 3.291 5.447 ( 1.805 -2.662 0.695) 3.291 5.726 ( 3.604 -4.257 -2.610) 6.158 5.726 ( -3.604 -4.257 2.610) 6.158 5.790 ( -0.216 0.964 -4.483) 4.590 5.790 ( 0.216 0.964 4.483) 4.590 5.922 ( -1.343 0.298 -2.451) 2.811 5.922 ( 1.343 0.298 2.451) 2.811 6.125 ( -2.765 -5.025 -0.992) 5.821 6.125 ( 2.765 -5.025 0.992) 5.821 6.260 ( -1.582 -0.827 -3.926) 4.313 6.260 ( 1.582 -0.827 3.926) 4.313 6.512 ( -1.421 0.693 -3.266) 3.629 6.512 ( 1.421 0.693 3.266) 3.629 6.567 ( -1.539 3.612 -1.662) 4.264 6.567 ( 1.539 3.612 1.662) 4.264 7.966 ( 0.046 -2.736 -0.490) 2.780 7.966 ( -0.046 -2.736 0.490) 2.780 8.648 ( 1.769 8.686 -0.948) 8.914 8.648 ( -1.769 8.686 0.948) 8.914 10.224 ( -2.418 -1.333 -2.593) 3.787 10.224 ( 2.418 -1.333 2.593) 3.787 10.477 ( 0.534 0.506 -1.230) 1.433 10.477 ( -0.534 0.506 1.230) 1.433 10.623 ( -4.696 -1.316 -3.335) 5.908 10.623 ( 4.696 -1.316 3.335) 5.908 10.928 ( 1.357 1.606 -1.208) 2.424 10.928 ( -1.357 1.606 1.208) 2.424 11.254 ( 1.522 -1.421 -3.264) 3.871 11.254 ( -1.522 -1.421 3.264) 3.871 11.617 ( -3.345 -4.936 -6.177) 8.585 11.617 ( 3.345 -4.936 6.177) 8.585 ======================= Grid point 139 (63/72) ======================= q-point: ( 0.00 0.29 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 7.317 7.721 -11.376) 15.575 0.927 ( -7.317 7.721 11.376) 15.575 1.194 ( 4.162 12.198 -11.355) 17.177 1.194 ( -4.162 12.198 11.355) 17.177 1.544 ( 1.990 -4.974 -2.007) 5.721 1.544 ( -1.990 -4.974 2.007) 5.721 1.823 ( -4.135 -1.720 -2.070) 4.933 1.823 ( 4.135 -1.720 2.070) 4.933 1.988 ( -4.155 -2.308 -2.283) 5.273 1.988 ( 4.155 -2.308 2.283) 5.273 2.108 ( 1.856 0.381 -10.418) 10.589 2.108 ( -1.856 0.381 10.418) 10.589 2.185 ( -2.621 2.779 -7.835) 8.717 2.185 ( 2.621 2.779 7.835) 8.717 2.818 ( 2.410 0.226 -5.389) 5.907 2.818 ( -2.410 0.226 5.389) 5.907 2.893 ( 0.550 2.444 -5.634) 6.166 2.893 ( -0.550 2.444 5.634) 6.166 3.120 ( 0.566 -0.827 -3.224) 3.376 3.120 ( -0.566 -0.827 3.224) 3.376 3.212 ( 2.005 2.213 -4.530) 5.426 3.212 ( -2.005 2.213 4.530) 5.426 3.341 ( -1.500 0.445 -3.240) 3.598 3.341 ( 1.500 0.445 3.240) 3.598 3.426 ( -0.295 0.900 -0.799) 1.239 3.426 ( 0.295 0.900 0.799) 1.239 3.573 ( 0.194 0.124 -3.179) 3.188 3.573 ( -0.194 0.124 3.179) 3.188 3.676 ( 0.258 6.355 -3.393) 7.208 3.676 ( -0.258 6.355 3.393) 7.208 3.857 ( 0.739 4.048 -2.064) 4.604 3.857 ( -0.739 4.048 2.064) 4.604 4.022 ( -0.703 0.796 -3.096) 3.273 4.022 ( 0.703 0.796 3.096) 3.273 4.169 ( -0.539 5.557 -2.590) 6.155 4.169 ( 0.539 5.557 2.590) 6.155 4.310 ( -1.555 -0.951 -2.418) 3.028 4.310 ( 1.555 -0.951 2.418) 3.028 4.399 ( -2.745 -3.246 -1.115) 4.394 4.399 ( 2.745 -3.246 1.115) 4.394 4.558 ( -1.797 -2.312 -4.313) 5.213 4.558 ( 1.797 -2.312 4.313) 5.213 4.695 ( -0.592 -0.608 -1.814) 2.003 4.695 ( 0.592 -0.608 1.814) 2.003 4.898 ( -1.125 -3.369 -1.262) 3.770 4.898 ( 1.125 -3.369 1.262) 3.770 5.009 ( -0.299 -4.277 -2.145) 4.794 5.009 ( 0.299 -4.277 2.145) 4.794 5.148 ( -1.301 0.663 -5.462) 5.654 5.148 ( 1.301 0.663 5.462) 5.654 5.308 ( -1.239 0.270 -1.253) 1.782 5.308 ( 1.239 0.270 1.253) 1.782 5.464 ( -2.545 -3.077 -4.674) 6.147 5.464 ( 2.545 -3.077 4.674) 6.147 5.627 ( 3.125 0.252 -3.228) 4.500 5.627 ( -3.125 0.252 3.228) 4.500 5.711 ( -0.278 -3.411 -1.358) 3.682 5.711 ( 0.278 -3.411 1.358) 3.682 5.927 ( -0.688 -5.063 -3.612) 6.258 5.927 ( 0.688 -5.063 3.612) 6.258 6.104 ( 1.322 0.297 -5.451) 5.617 6.104 ( -1.322 0.297 5.451) 5.617 6.324 ( -1.612 -2.278 -5.179) 5.883 6.324 ( 1.612 -2.278 5.179) 5.883 6.651 ( -0.781 2.383 -2.046) 3.237 6.651 ( 0.781 2.383 2.046) 3.237 6.864 ( -1.109 2.687 -6.918) 7.504 6.864 ( 1.109 2.687 6.918) 7.504 7.933 ( -0.698 -0.608 -1.450) 1.720 7.933 ( 0.698 -0.608 1.450) 1.720 9.080 ( 0.034 7.044 -3.366) 7.807 9.080 ( -0.034 7.044 3.366) 7.807 10.223 ( -2.446 -0.116 -4.077) 4.756 10.223 ( 2.446 -0.116 4.077) 4.756 10.511 ( 0.818 0.953 -1.092) 1.665 10.511 ( -0.818 0.953 1.092) 1.665 10.616 ( -4.969 0.234 0.371) 4.989 10.616 ( 4.969 0.234 -0.371) 4.989 10.898 ( -3.454 -2.115 -1.176) 4.217 10.898 ( 3.454 -2.115 1.176) 4.217 11.110 ( -0.807 -0.061 -3.263) 3.361 11.110 ( 0.807 -0.061 3.263) 3.361 11.343 ( 6.326 -6.751 -3.976) 10.069 11.343 ( -6.326 -6.751 3.976) 10.069 ======================= Grid point 141 (64/72) ======================= q-point: ( 0.12 0.29 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 4.182 5.266 9.546) 11.677 1.098 ( 13.852 9.477 0.803) 16.802 1.237 ( 13.507 10.199 -11.642) 20.542 1.278 ( 1.181 6.151 7.609) 9.856 1.507 ( -2.250 4.300 2.959) 5.684 1.541 ( 1.482 -1.227 -2.296) 2.995 1.721 ( -1.918 -4.001 -5.884) 7.369 1.781 ( -5.100 -7.170 -6.541) 10.964 1.939 ( -0.826 -2.519 1.868) 3.243 1.990 ( 1.368 6.605 -13.062) 14.700 2.093 ( 3.568 -2.274 2.245) 4.790 2.163 ( 3.006 0.498 0.742) 3.136 2.208 ( 5.793 -1.952 -1.858) 6.390 2.392 ( 4.458 3.865 12.986) 14.263 2.751 ( -3.378 2.863 -6.232) 7.645 2.813 ( 2.087 0.647 2.089) 3.023 2.871 ( -1.570 1.143 2.430) 3.111 2.955 ( 0.877 -0.824 5.335) 5.469 3.068 ( -2.181 -0.897 -0.906) 2.526 3.176 ( 0.909 -1.599 0.941) 2.065 3.196 ( -0.565 -0.657 -4.080) 4.171 3.225 ( -2.146 2.756 1.280) 3.720 3.287 ( 1.445 2.861 -2.530) 4.084 3.359 ( -2.259 5.128 5.216) 7.656 3.450 ( 2.304 -3.487 0.470) 4.206 3.469 ( 2.555 1.876 0.698) 3.245 3.572 ( 1.793 -0.236 -1.891) 2.616 3.620 ( 1.255 0.145 3.459) 3.683 3.648 ( -1.254 3.204 -1.577) 3.785 3.732 ( 1.235 6.891 0.967) 7.067 3.799 ( -2.302 6.697 -1.448) 7.228 3.841 ( -0.288 2.546 1.559) 2.999 3.987 ( -2.321 0.038 3.758) 4.417 4.074 ( -0.716 2.693 1.024) 2.968 4.162 ( -3.456 5.752 3.297) 7.477 4.204 ( 0.522 -0.090 6.068) 6.091 4.231 ( -1.083 5.479 -2.507) 6.122 4.356 ( -0.847 -2.815 2.235) 3.693 4.379 ( 2.475 -2.518 -1.836) 3.979 4.460 ( -1.119 -5.724 -0.276) 5.839 4.493 ( 2.838 -0.683 -4.798) 5.616 4.580 ( -0.727 1.715 -1.612) 2.463 4.650 ( -3.059 -4.166 -2.447) 5.718 4.713 ( 5.023 -2.508 -2.441) 6.121 4.877 ( 0.319 -3.422 -2.450) 4.221 4.926 ( 1.045 -5.051 -4.355) 6.751 5.000 ( 0.273 -0.465 -0.364) 0.651 5.040 ( 0.780 -5.510 1.039) 5.662 5.092 ( 2.743 -0.523 -4.479) 5.279 5.218 ( 1.887 -0.899 3.917) 4.440 5.280 ( -4.545 2.673 4.284) 6.794 5.327 ( -2.295 -1.353 3.131) 4.111 5.395 ( 1.501 -1.305 -1.579) 2.539 5.496 ( -1.586 -2.026 -1.065) 2.785 5.600 ( 0.888 -0.269 -0.280) 0.970 5.645 ( 4.497 -2.980 -7.033) 8.863 5.724 ( -0.126 -2.094 3.090) 3.735 5.747 ( 1.266 -2.755 1.334) 3.312 5.866 ( -2.613 -5.878 -3.647) 7.395 5.975 ( 0.870 -5.049 3.071) 5.973 6.063 ( -0.381 -1.125 -2.941) 3.172 6.113 ( -3.061 3.979 2.639) 5.671 6.233 ( -2.207 -1.907 -4.287) 5.185 6.369 ( -0.023 -3.024 1.138) 3.231 6.617 ( -1.743 3.142 -0.174) 3.597 6.677 ( -0.559 1.814 2.487) 3.129 6.740 ( -5.936 5.164 -2.709) 8.321 6.918 ( -2.966 0.789 4.613) 5.541 7.910 ( -0.518 -0.837 -0.669) 1.190 7.952 ( -0.120 -0.844 1.081) 1.376 9.023 ( -3.649 7.761 -0.902) 8.623 9.066 ( -5.620 7.059 3.388) 9.638 10.135 ( -2.051 2.083 -4.081) 5.020 10.273 ( -0.639 -1.194 1.905) 2.337 10.475 ( -2.881 1.174 0.220) 3.118 10.525 ( 0.483 1.300 0.257) 1.411 10.543 ( -1.677 0.474 -0.321) 1.772 10.669 ( 2.216 -4.777 -2.171) 5.696 10.879 ( 1.560 1.297 0.605) 2.117 10.968 ( 2.076 -0.174 0.549) 2.154 11.113 ( 3.451 0.391 -0.532) 3.514 11.173 ( 1.738 -1.534 3.966) 4.593 11.284 ( -3.310 -3.853 1.549) 5.310 11.436 ( 8.578 -11.014 -4.766) 14.751 ======================= Grid point 142 (65/72) ======================= q-point: ( 0.25 0.29 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 6.014 8.314 0.673) 10.283 1.316 ( 6.417 8.243 4.006) 11.188 1.371 ( 6.039 1.375 5.715) 8.428 1.420 ( 17.025 5.633 -8.780) 19.967 1.534 ( 1.536 0.286 -0.752) 1.734 1.631 ( -1.413 -3.944 -2.266) 4.762 1.656 ( 0.150 -0.882 -2.658) 2.804 1.674 ( 6.934 4.654 7.218) 11.038 1.893 ( 1.808 9.858 -6.999) 12.224 1.983 ( -1.895 -4.375 6.057) 7.709 2.119 ( 2.390 -2.043 -4.279) 5.310 2.196 ( 2.405 2.321 -2.720) 4.309 2.321 ( 5.105 0.930 -1.460) 5.391 2.510 ( 1.526 5.278 3.647) 6.594 2.640 ( -2.053 -2.029 -3.906) 4.857 2.880 ( 0.623 -1.901 -0.230) 2.014 2.939 ( 4.693 1.838 0.998) 5.138 2.987 ( 0.246 -1.044 2.400) 2.629 3.047 ( -0.422 0.355 2.085) 2.157 3.108 ( -2.715 1.125 -2.622) 3.938 3.157 ( -2.760 -0.938 0.589) 2.974 3.213 ( -2.199 -2.585 3.835) 5.121 3.308 ( 1.840 3.148 -3.296) 4.915 3.366 ( -2.143 5.873 3.347) 7.091 3.487 ( -0.698 -1.996 0.010) 2.115 3.507 ( -0.357 -2.601 -3.458) 4.342 3.523 ( 0.344 4.026 -1.121) 4.193 3.629 ( 1.669 -1.739 -2.273) 3.313 3.659 ( 1.316 0.308 1.065) 1.720 3.705 ( -1.874 7.747 -2.279) 8.290 3.821 ( 3.004 4.709 3.048) 6.363 3.896 ( 1.166 -0.252 1.985) 2.316 3.978 ( -2.619 2.065 2.381) 4.098 4.057 ( -4.073 4.622 4.209) 7.461 4.119 ( -0.936 4.985 -0.675) 5.116 4.201 ( -1.873 5.694 -0.844) 6.053 4.246 ( -1.109 -1.850 1.893) 2.870 4.356 ( -1.840 -1.579 0.743) 2.535 4.421 ( 1.427 -3.045 1.714) 3.774 4.426 ( -0.344 -4.389 3.043) 5.352 4.491 ( 1.098 0.949 -1.503) 2.090 4.571 ( -2.477 0.561 -0.581) 2.606 4.614 ( 3.430 -3.228 0.746) 4.769 4.769 ( 2.177 -3.027 -2.139) 4.298 4.837 ( -1.650 -6.397 -8.011) 10.383 4.870 ( 2.212 -2.969 -2.697) 4.581 4.985 ( -0.602 1.499 -0.883) 1.840 5.073 ( -2.262 -5.365 1.184) 5.941 5.093 ( 2.922 -6.887 -1.979) 7.739 5.253 ( -1.623 2.342 5.228) 5.954 5.309 ( 0.117 -2.773 2.228) 3.559 5.346 ( 3.522 1.224 2.385) 4.426 5.441 ( 1.902 -1.883 -1.756) 3.201 5.465 ( 0.829 0.231 1.087) 1.386 5.604 ( 2.618 -1.722 -2.942) 4.298 5.670 ( 1.824 -1.342 -3.461) 4.136 5.713 ( 0.216 -1.147 -4.626) 4.771 5.775 ( -3.624 -8.625 0.180) 9.357 5.813 ( 3.296 -1.319 3.513) 4.995 5.978 ( -1.094 -0.260 -2.313) 2.572 6.060 ( 0.049 -5.144 2.099) 5.556 6.069 ( -3.655 4.993 2.956) 6.857 6.186 ( -1.682 -1.765 0.647) 2.522 6.348 ( -1.078 -3.367 -3.206) 4.773 6.578 ( -2.831 4.222 -0.646) 5.124 6.628 ( -4.476 4.588 1.028) 6.491 6.675 ( -1.761 2.158 0.624) 2.854 6.846 ( -7.693 0.702 1.094) 7.802 7.905 ( 0.085 -1.208 0.263) 1.239 7.950 ( -0.612 -1.050 0.072) 1.218 8.945 ( -4.997 7.637 0.606) 9.147 8.963 ( -7.615 8.114 1.193) 11.192 10.100 ( 1.050 2.494 -0.814) 2.826 10.255 ( -1.814 -1.389 0.620) 2.368 10.457 ( 0.358 -0.259 0.391) 0.590 10.512 ( -1.564 -0.360 -0.370) 1.647 10.532 ( -0.014 1.289 0.062) 1.290 10.681 ( 0.944 -6.009 -1.706) 6.317 10.926 ( 2.156 3.690 1.044) 4.400 10.990 ( 1.040 2.648 -0.617) 2.911 11.174 ( 2.434 0.231 0.314) 2.465 11.222 ( 1.530 -2.212 -2.188) 3.467 11.286 ( 1.424 -4.473 5.340) 7.110 11.524 ( 5.348 -11.750 -3.837) 13.468 ======================= Grid point 143 (66/72) ======================= q-point: ( 0.38 0.29 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 5.221 12.833 -3.838) 14.376 1.410 ( -2.139 3.485 -2.284) 4.684 1.495 ( -0.920 2.956 3.146) 4.414 1.517 ( 2.254 2.977 -1.911) 4.194 1.572 ( 9.334 5.433 -0.265) 10.804 1.681 ( 10.506 -0.072 -1.913) 10.679 1.768 ( 4.640 -1.203 6.464) 8.047 1.857 ( 2.812 2.077 8.208) 8.922 1.915 ( 4.554 9.616 -0.243) 10.642 1.978 ( -6.282 -3.670 7.301) 10.308 2.119 ( 4.075 7.016 -8.575) 11.806 2.200 ( -0.137 -3.417 -3.957) 5.230 2.356 ( 3.312 2.370 1.137) 4.228 2.517 ( 1.289 3.930 -4.622) 6.203 2.698 ( 6.632 -1.782 2.672) 7.369 2.819 ( -4.294 -0.096 -3.743) 5.697 2.931 ( -1.162 -0.439 0.677) 1.414 3.008 ( -4.493 -0.960 -0.168) 4.597 3.057 ( 1.120 3.474 0.365) 3.668 3.099 ( 3.548 0.419 1.625) 3.925 3.170 ( -4.635 -1.648 -0.438) 4.938 3.194 ( 1.438 -1.439 1.857) 2.755 3.276 ( -0.238 0.852 -1.938) 2.131 3.340 ( -3.650 2.928 0.293) 4.689 3.405 ( -0.633 0.712 -2.097) 2.303 3.489 ( -1.068 1.297 -1.726) 2.409 3.591 ( 3.464 -2.863 1.331) 4.687 3.614 ( -0.189 -0.555 -1.248) 1.379 3.644 ( -1.628 3.689 -2.513) 4.751 3.710 ( 2.947 2.928 -1.752) 4.508 3.835 ( -0.836 -0.217 -2.077) 2.250 3.943 ( -0.516 1.618 0.233) 1.714 3.960 ( 1.153 1.382 5.355) 5.649 4.018 ( -3.090 5.783 0.073) 6.558 4.099 ( -4.413 0.510 0.505) 4.471 4.121 ( -1.395 1.719 -3.272) 3.951 4.293 ( 2.642 -0.236 0.347) 2.675 4.326 ( 0.649 2.540 0.757) 2.729 4.399 ( -3.259 -1.331 3.612) 5.044 4.484 ( 0.034 -2.532 5.890) 6.411 4.530 ( -1.551 -2.843 0.123) 3.241 4.570 ( -0.242 -5.049 2.563) 5.667 4.611 ( 2.285 0.859 -4.761) 5.350 4.743 ( -1.441 -5.437 -3.879) 6.833 4.854 ( 4.266 -3.968 4.672) 7.468 4.898 ( 1.888 -0.254 0.486) 1.966 4.943 ( -1.677 -2.003 -1.099) 2.834 5.054 ( 0.493 -0.710 -0.426) 0.964 5.147 ( 2.927 -8.041 -0.485) 8.571 5.270 ( -2.696 -7.041 -1.912) 7.778 5.289 ( -0.807 4.136 5.274) 6.750 5.387 ( -1.163 0.440 -0.795) 1.476 5.451 ( 1.753 2.545 -1.717) 3.535 5.481 ( 0.684 2.254 -3.111) 3.902 5.632 ( -0.417 -2.215 -1.985) 3.003 5.636 ( 0.824 -3.624 -4.453) 5.800 5.719 ( 6.167 0.255 1.601) 6.377 5.786 ( 0.920 -7.471 3.296) 8.217 5.898 ( 1.968 -0.791 1.639) 2.681 5.926 ( -3.049 0.386 -0.245) 3.083 6.047 ( -0.922 1.210 1.202) 1.939 6.072 ( -1.770 -2.841 3.172) 4.612 6.184 ( -0.595 -1.564 3.155) 3.572 6.280 ( -1.097 -3.210 -5.708) 6.639 6.522 ( -2.300 3.162 0.607) 3.957 6.602 ( -1.190 3.032 2.470) 4.088 6.626 ( -2.792 1.859 -3.060) 4.540 6.708 ( -6.398 0.988 -1.237) 6.591 7.914 ( 0.252 -1.174 0.723) 1.402 7.938 ( -0.416 -1.026 -0.532) 1.228 8.857 ( -4.106 7.970 -0.119) 8.966 8.869 ( -4.281 7.242 0.744) 8.445 10.143 ( 2.405 0.880 2.022) 3.263 10.233 ( -1.188 -1.462 -0.136) 1.889 10.477 ( 0.770 -0.651 0.561) 1.154 10.488 ( -0.726 -0.560 -0.230) 0.945 10.537 ( 0.758 0.615 0.678) 1.188 10.654 ( -1.581 -4.284 -2.719) 5.315 10.966 ( 1.144 4.334 1.034) 4.600 10.996 ( 0.460 3.677 -0.970) 3.831 11.203 ( 0.458 -1.440 1.038) 1.834 11.221 ( 1.622 -1.756 -2.845) 3.716 11.390 ( 3.435 -5.579 5.093) 8.298 11.540 ( 0.835 -9.352 -3.826) 10.139 ======================= Grid point 144 (67/72) ======================= q-point: (-0.50 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -5.521 10.051 -0.119) 11.468 1.307 ( 5.521 10.051 0.119) 11.468 1.507 ( 1.184 5.833 -2.879) 6.612 1.507 ( -1.184 5.833 2.879) 6.612 1.737 ( 0.082 1.732 -5.226) 5.506 1.737 ( -0.082 1.732 5.226) 5.506 1.854 ( -7.178 -1.145 1.930) 7.521 1.854 ( 7.178 -1.145 -1.930) 7.521 2.029 ( 0.388 1.143 -2.276) 2.576 2.029 ( -0.388 1.143 2.276) 2.576 2.087 ( 0.441 4.271 -8.920) 9.900 2.087 ( -0.441 4.271 8.920) 9.900 2.470 ( -0.608 1.692 -8.956) 9.135 2.470 ( 0.608 1.692 8.956) 9.135 2.764 ( 1.563 2.163 -3.643) 4.516 2.764 ( -1.563 2.163 3.643) 4.516 2.951 ( -1.771 -1.880 -1.122) 2.816 2.951 ( 1.771 -1.880 1.122) 2.816 3.077 ( -1.857 -0.355 -1.965) 2.727 3.077 ( 1.857 -0.355 1.965) 2.727 3.184 ( -2.170 -1.434 -3.962) 4.739 3.184 ( 2.170 -1.434 3.962) 4.739 3.280 ( 3.050 2.752 -4.101) 5.804 3.280 ( -3.050 2.752 4.101) 5.804 3.431 ( 0.738 -0.334 -4.293) 4.368 3.431 ( -0.738 -0.334 4.293) 4.368 3.608 ( 1.576 1.912 -3.148) 4.007 3.608 ( -1.576 1.912 3.148) 4.007 3.673 ( -1.986 1.695 -3.879) 4.676 3.673 ( 1.986 1.695 3.879) 4.676 3.895 ( -6.547 2.131 -2.395) 7.289 3.895 ( 6.547 2.131 2.395) 7.289 3.976 ( 0.269 1.035 -1.209) 1.614 3.976 ( -0.269 1.035 1.209) 1.614 4.079 ( 0.585 -0.703 -4.470) 4.563 4.079 ( -0.585 -0.703 4.470) 4.563 4.325 ( -1.196 -0.034 -0.655) 1.364 4.325 ( 1.196 -0.034 0.655) 1.364 4.448 ( -1.182 -1.309 -5.174) 5.467 4.448 ( 1.182 -1.309 5.174) 5.467 4.543 ( 0.570 -1.396 -5.971) 6.158 4.543 ( -0.570 -1.396 5.971) 6.158 4.676 ( -2.504 -4.017 -2.631) 5.416 4.676 ( 2.504 -4.017 2.631) 5.416 4.898 ( 0.993 -5.023 -2.010) 5.500 4.898 ( -0.993 -5.023 2.010) 5.500 5.019 ( -3.082 2.524 -4.216) 5.800 5.019 ( 3.082 2.524 4.216) 5.800 5.197 ( -2.982 -8.535 -1.327) 9.138 5.197 ( 2.982 -8.535 1.327) 9.138 5.335 ( -0.583 3.951 -4.662) 6.138 5.335 ( 0.583 3.951 4.662) 6.138 5.460 ( 1.471 3.527 -3.873) 5.441 5.460 ( -1.471 3.527 3.873) 5.441 5.620 ( 1.328 -5.457 -1.904) 5.930 5.620 ( -1.328 -5.457 1.904) 5.930 5.824 ( -0.999 0.554 -1.733) 2.076 5.824 ( 0.999 0.554 1.733) 2.076 5.889 ( 0.418 -2.616 -4.555) 5.269 5.889 ( -0.418 -2.616 4.555) 5.269 6.061 ( 2.241 -0.511 -2.092) 3.108 6.061 ( -2.241 -0.511 2.092) 3.108 6.220 ( 0.447 -2.749 -5.442) 6.113 6.220 ( -0.447 -2.749 5.442) 6.113 6.535 ( -1.823 1.418 -3.585) 4.265 6.535 ( 1.823 1.418 3.585) 4.265 6.628 ( -1.412 1.975 -2.113) 3.219 6.628 ( 1.412 1.975 2.113) 3.219 7.926 ( -0.259 -1.013 -0.794) 1.313 7.926 ( 0.259 -1.013 0.794) 1.313 8.826 ( -0.280 7.333 0.030) 7.338 8.826 ( 0.280 7.333 -0.030) 7.338 10.200 ( -1.725 -0.668 -1.655) 2.482 10.200 ( 1.725 -0.668 1.655) 2.482 10.482 ( 0.663 -0.187 -1.327) 1.495 10.482 ( -0.663 -0.187 1.327) 1.495 10.586 ( -2.335 -1.895 -2.888) 4.169 10.586 ( 2.335 -1.895 2.888) 4.169 10.988 ( 0.759 4.102 -2.206) 4.719 10.988 ( -0.759 4.102 2.206) 4.719 11.217 ( 1.111 -1.928 -2.696) 3.496 11.217 ( -1.111 -1.928 2.696) 3.496 11.487 ( -1.939 -6.993 -4.490) 8.533 11.487 ( 1.939 -6.993 4.490) 8.533 ======================= Grid point 149 (68/72) ======================= q-point: ( 0.00 0.43 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 5.239 6.199 -6.724) 10.540 1.075 ( -5.239 6.199 6.724) 10.540 1.330 ( 0.030 -3.758 -1.886) 4.205 1.330 ( -0.030 -3.758 1.886) 4.205 1.535 ( -2.056 8.147 -4.038) 9.322 1.535 ( 2.056 8.147 4.038) 9.322 1.783 ( -1.164 -3.182 -3.946) 5.201 1.783 ( 1.164 -3.182 3.946) 5.201 1.916 ( -1.421 -2.778 -0.174) 3.125 1.916 ( 1.421 -2.778 0.174) 3.125 2.045 ( 0.101 -2.882 -4.705) 5.519 2.045 ( -0.101 -2.882 4.705) 5.519 2.269 ( -1.278 1.904 -2.601) 3.468 2.269 ( 1.278 1.904 2.601) 3.468 2.851 ( 1.569 3.923 -1.973) 4.663 2.851 ( -1.569 3.923 1.973) 4.663 2.933 ( 0.143 -1.756 -3.632) 4.037 2.933 ( -0.143 -1.756 3.632) 4.037 3.103 ( -1.260 0.400 -0.763) 1.526 3.103 ( 1.260 0.400 0.763) 1.526 3.227 ( -0.529 0.255 -2.338) 2.411 3.227 ( 0.529 0.255 2.338) 2.411 3.351 ( -1.128 -0.078 -1.722) 2.060 3.351 ( 1.128 -0.078 1.722) 2.060 3.459 ( -0.364 0.538 0.107) 0.659 3.459 ( 0.364 0.538 -0.107) 0.659 3.622 ( 1.525 5.387 -3.081) 6.390 3.622 ( -1.525 5.387 3.081) 6.390 3.736 ( 2.242 -2.621 -5.494) 6.487 3.736 ( -2.242 -2.621 5.494) 6.487 3.973 ( -1.133 7.462 -0.750) 7.585 3.973 ( 1.133 7.462 0.750) 7.585 4.057 ( -1.795 1.902 -1.729) 3.135 4.057 ( 1.795 1.902 1.729) 3.135 4.241 ( -0.095 -0.818 -2.798) 2.916 4.241 ( 0.095 -0.818 2.798) 2.916 4.300 ( 0.252 0.628 -2.710) 2.793 4.300 ( -0.252 0.628 2.710) 2.793 4.371 ( 0.043 0.400 -1.084) 1.156 4.371 ( -0.043 0.400 1.084) 1.156 4.490 ( -0.439 -1.250 -3.119) 3.389 4.490 ( 0.439 -1.250 3.119) 3.389 4.638 ( -0.446 -7.528 -1.917) 7.781 4.638 ( 0.446 -7.528 1.917) 7.781 4.788 ( -0.395 -2.143 -3.723) 4.314 4.788 ( 0.395 -2.143 3.723) 4.314 4.963 ( 0.841 -0.493 -0.935) 1.351 4.963 ( -0.841 -0.493 0.935) 1.351 5.176 ( 0.257 1.649 -3.163) 3.576 5.176 ( -0.257 1.649 3.163) 3.576 5.286 ( 1.253 -2.574 -1.276) 3.134 5.286 ( -1.253 -2.574 1.276) 3.134 5.449 ( -0.848 1.657 -2.909) 3.454 5.449 ( 0.848 1.657 2.909) 3.454 5.609 ( -0.524 -2.816 -3.658) 4.646 5.609 ( 0.524 -2.816 3.658) 4.646 5.708 ( -0.696 4.138 -4.890) 6.443 5.708 ( 0.696 4.138 4.890) 6.443 5.820 ( -0.766 -5.302 -3.574) 6.440 5.820 ( 0.766 -5.302 3.574) 6.440 6.095 ( 0.073 -0.611 -2.854) 2.919 6.095 ( -0.073 -0.611 2.854) 2.919 6.309 ( -0.596 0.106 -2.026) 2.114 6.309 ( 0.596 0.106 2.026) 2.114 6.688 ( -0.289 1.053 -0.832) 1.373 6.688 ( 0.289 1.053 0.832) 1.373 6.891 ( -0.398 0.413 -2.437) 2.504 6.891 ( 0.398 0.413 2.437) 2.504 7.932 ( -0.299 0.120 -0.757) 0.823 7.932 ( 0.299 0.120 0.757) 0.823 9.169 ( -0.005 1.882 -1.170) 2.216 9.169 ( 0.005 1.882 1.170) 2.216 10.228 ( -0.816 0.290 -1.561) 1.785 10.228 ( 0.816 0.290 1.561) 1.785 10.528 ( 0.127 0.472 -0.561) 0.744 10.528 ( -0.127 0.472 0.561) 0.744 10.614 ( 0.162 -0.146 -0.365) 0.425 10.614 ( -0.162 -0.146 0.365) 0.425 10.878 ( -1.402 -0.204 -0.464) 1.491 10.878 ( 1.402 -0.204 0.464) 1.491 11.114 ( 0.429 0.508 -2.325) 2.418 11.114 ( -0.429 0.508 2.325) 2.418 11.233 ( 2.149 -3.354 -2.605) 4.759 11.233 ( -2.149 -3.354 2.605) 4.759 ======================= Grid point 151 (69/72) ======================= q-point: ( 0.12 0.43 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 3.948 7.270 6.287) 10.391 1.199 ( 12.384 1.805 -3.820) 13.085 1.320 ( 1.819 -1.498 -2.678) 3.567 1.373 ( 3.632 -4.296 0.180) 5.628 1.485 ( 1.110 4.380 -2.985) 5.416 1.596 ( -0.303 -2.519 -1.746) 3.080 1.677 ( 0.766 6.175 -5.424) 8.254 1.785 ( 0.084 4.867 -0.144) 4.870 1.890 ( -0.369 -2.007 0.210) 2.051 1.935 ( 2.922 -9.639 -5.783) 11.614 2.096 ( 4.142 1.550 3.473) 5.623 2.148 ( 6.320 -3.337 3.196) 7.829 2.306 ( 3.999 9.952 0.840) 10.758 2.427 ( 6.804 -1.460 10.328) 12.454 2.824 ( -2.833 2.870 -5.162) 6.550 2.847 ( -0.991 1.876 -0.661) 2.223 2.867 ( -0.135 0.180 -2.349) 2.359 2.918 ( -0.469 -3.050 -1.212) 3.315 3.050 ( -2.400 -0.149 0.396) 2.437 3.099 ( -0.931 -4.237 -4.643) 6.354 3.214 ( -1.137 2.490 2.760) 3.888 3.253 ( -1.784 -0.885 2.165) 2.941 3.345 ( 0.949 3.122 -0.278) 3.275 3.391 ( 0.481 -0.591 1.064) 1.308 3.453 ( 0.949 0.210 0.035) 0.973 3.463 ( 0.628 -1.528 -1.154) 2.015 3.623 ( -1.002 4.084 0.603) 4.249 3.646 ( 0.700 3.051 1.755) 3.589 3.714 ( -1.684 1.189 -0.546) 2.132 3.772 ( 1.252 -3.812 3.107) 5.075 3.929 ( -2.312 7.386 -0.524) 7.757 3.977 ( -0.088 7.371 0.354) 7.380 4.038 ( -0.724 4.525 2.875) 5.410 4.108 ( 0.019 -0.017 2.300) 2.300 4.195 ( -2.189 -0.325 0.908) 2.392 4.270 ( -1.826 1.611 1.979) 3.138 4.283 ( 0.790 0.232 0.263) 0.864 4.327 ( -1.540 -0.577 0.160) 1.653 4.337 ( -1.111 -0.280 1.016) 1.531 4.361 ( -1.452 -4.285 1.096) 4.655 4.503 ( 2.767 -0.228 0.149) 2.780 4.544 ( 2.493 0.783 0.934) 2.775 4.624 ( -1.277 -0.806 -0.489) 1.587 4.694 ( 5.182 -4.808 -0.423) 7.082 4.714 ( -0.677 -3.894 -4.121) 5.710 4.776 ( -0.464 -6.664 -4.989) 8.337 4.956 ( 0.174 -0.766 -1.041) 1.304 4.977 ( 1.113 -2.081 -2.113) 3.167 5.140 ( -1.977 3.594 -1.391) 4.331 5.201 ( -0.328 -1.747 2.151) 2.790 5.287 ( 0.640 1.024 2.315) 2.611 5.325 ( 1.601 -1.171 2.728) 3.373 5.405 ( -0.647 0.936 -1.403) 1.806 5.440 ( -1.838 -2.291 -3.179) 4.328 5.605 ( 2.611 0.624 -2.661) 3.780 5.645 ( 0.191 3.969 -3.003) 4.980 5.668 ( 2.011 -4.105 1.158) 4.715 5.743 ( -0.490 -0.265 -0.023) 0.557 5.751 ( -2.267 -1.582 -2.020) 3.424 5.852 ( -0.338 -6.029 3.257) 6.861 6.075 ( 0.118 1.820 -1.448) 2.329 6.123 ( -0.135 -2.255 2.450) 3.333 6.257 ( -2.227 3.130 -3.260) 5.039 6.315 ( -0.579 -2.391 -0.942) 2.634 6.673 ( -1.627 2.039 1.225) 2.882 6.696 ( -1.189 -0.092 2.072) 2.390 6.830 ( -4.409 3.692 -0.335) 5.761 6.895 ( -3.194 -2.416 2.111) 4.527 7.916 ( -0.561 0.932 -0.609) 1.247 7.936 ( -0.391 -0.887 0.353) 1.032 9.132 ( -3.564 2.860 0.227) 4.575 9.148 ( -4.142 1.298 1.833) 4.712 10.188 ( -1.375 2.729 -1.750) 3.522 10.239 ( -0.766 -2.057 0.415) 2.233 10.509 ( -3.652 1.967 0.666) 4.201 10.540 ( -1.527 -0.492 1.029) 1.906 10.551 ( -1.212 0.790 -0.410) 1.503 10.585 ( -0.906 -2.945 -0.982) 3.234 10.928 ( 4.857 2.648 0.675) 5.573 10.965 ( 5.280 -0.632 1.206) 5.453 11.129 ( 2.648 1.136 -0.402) 2.909 11.155 ( 1.658 -0.112 2.481) 2.986 11.210 ( -1.468 -2.221 -0.235) 2.673 11.259 ( 4.499 -5.932 -4.026) 8.464 ======================= Grid point 152 (70/72) ======================= q-point: ( 0.25 0.43 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 6.642 5.904 6.946) 11.279 1.359 ( 7.100 0.857 -2.683) 7.639 1.386 ( 11.924 -1.470 -4.476) 12.821 1.458 ( 4.778 -6.653 1.133) 8.269 1.525 ( 5.877 2.037 -1.663) 6.439 1.558 ( 1.907 -1.106 -0.193) 2.213 1.700 ( 3.959 8.257 -2.706) 9.548 1.846 ( 4.347 5.945 2.107) 7.660 1.893 ( -1.825 -5.636 3.080) 6.677 1.965 ( 7.109 -6.724 -4.307) 10.691 2.157 ( 0.098 9.725 0.119) 9.726 2.284 ( 4.438 -2.563 -0.351) 5.137 2.411 ( 6.906 11.593 1.136) 13.541 2.563 ( 0.299 -0.820 3.793) 3.893 2.692 ( -2.042 5.309 -7.278) 9.237 2.811 ( -0.347 -5.100 -2.102) 5.527 2.919 ( 0.070 -2.018 2.019) 2.856 2.951 ( 6.319 -1.402 2.350) 6.886 3.038 ( 0.508 -2.668 -0.865) 2.850 3.045 ( -0.376 -2.777 -0.015) 2.802 3.170 ( -6.568 1.680 0.659) 6.812 3.199 ( -4.799 -0.242 1.944) 5.184 3.364 ( 1.457 1.956 -0.529) 2.496 3.396 ( -2.196 -1.378 1.517) 3.004 3.439 ( 0.473 0.558 -2.373) 2.483 3.489 ( 1.841 -1.354 -2.144) 3.133 3.601 ( -1.182 0.589 -0.479) 1.404 3.619 ( -2.744 0.691 -1.475) 3.191 3.701 ( 0.185 4.884 0.099) 4.889 3.800 ( -0.653 -3.793 -0.077) 3.850 3.886 ( -0.281 7.859 -2.375) 8.215 3.997 ( 0.854 4.896 -0.208) 4.975 4.058 ( -2.872 2.442 -1.320) 3.994 4.085 ( -1.190 0.795 5.475) 5.659 4.198 ( -1.455 1.129 0.509) 1.910 4.240 ( -2.254 2.581 1.832) 3.886 4.257 ( -3.894 0.835 0.992) 4.105 4.323 ( -1.878 -4.886 1.439) 5.429 4.334 ( 0.493 -1.308 5.536) 5.710 4.375 ( 0.228 -3.968 2.796) 4.860 4.504 ( -0.315 2.730 -4.002) 4.854 4.583 ( -2.349 0.150 0.652) 2.442 4.617 ( 1.274 1.538 2.505) 3.204 4.687 ( 0.061 -4.707 -0.855) 4.785 4.739 ( 4.149 -1.122 -5.993) 7.375 4.796 ( 5.164 -4.310 0.198) 6.729 4.960 ( 1.651 -1.914 -0.374) 2.555 4.984 ( 1.489 -3.506 -0.397) 3.829 5.057 ( -4.503 5.402 -2.555) 7.483 5.195 ( -1.594 -5.829 -0.415) 6.057 5.324 ( -0.019 1.001 2.348) 2.553 5.353 ( -1.136 -2.844 -2.121) 3.725 5.396 ( 2.365 2.312 3.309) 4.678 5.454 ( 2.514 -2.532 5.166) 6.278 5.592 ( 2.043 0.561 -5.686) 6.067 5.646 ( -1.400 -3.751 -4.617) 6.111 5.678 ( 3.963 2.331 -3.314) 5.668 5.735 ( 1.080 2.508 1.262) 3.008 5.758 ( 2.088 -1.764 0.743) 2.833 5.875 ( -1.336 -7.347 3.871) 8.411 6.068 ( -0.185 3.263 0.422) 3.295 6.133 ( -1.198 -2.503 2.448) 3.700 6.179 ( -3.197 4.675 -2.223) 6.084 6.272 ( -1.486 -4.030 -3.797) 5.733 6.652 ( -2.336 2.622 1.082) 3.674 6.681 ( -2.471 -0.033 1.153) 2.727 6.738 ( -5.450 4.215 -0.003) 6.890 6.817 ( -6.700 -3.000 0.234) 7.345 7.906 ( -0.144 0.891 0.012) 0.903 7.929 ( -0.497 -1.111 0.026) 1.218 9.055 ( -5.438 2.873 0.624) 6.181 9.065 ( -6.450 1.972 1.086) 6.832 10.161 ( -0.379 3.103 -0.122) 3.129 10.219 ( -1.497 -2.282 0.497) 2.774 10.461 ( -1.267 0.814 0.206) 1.520 10.489 ( -2.244 -1.609 -0.192) 2.768 10.558 ( 0.267 1.268 0.052) 1.297 10.593 ( 0.760 -2.534 -0.219) 2.654 11.015 ( 3.343 4.367 1.861) 5.806 11.050 ( 4.045 2.212 -1.004) 4.718 11.163 ( 0.070 -2.372 0.679) 2.468 11.182 ( -1.112 -2.245 -0.120) 2.508 11.218 ( 4.540 1.217 0.123) 4.701 11.319 ( 5.308 -7.626 -2.629) 9.656 ======================= Grid point 153 (71/72) ======================= q-point: ( 0.38 0.43 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 6.032 6.941 -1.038) 9.254 1.488 ( 3.651 3.459 1.323) 5.201 1.519 ( 4.767 -0.730 0.095) 4.823 1.574 ( 5.889 -3.103 4.154) 7.846 1.639 ( 5.043 2.797 3.443) 6.716 1.663 ( 11.458 -0.188 -4.725) 12.395 1.760 ( 2.639 3.274 1.759) 4.558 1.876 ( -4.155 -4.746 3.970) 7.453 1.931 ( 2.987 4.291 0.688) 5.274 2.067 ( 5.274 -6.875 -2.778) 9.099 2.154 ( 2.069 9.579 0.052) 9.800 2.247 ( -2.163 1.837 -4.190) 5.061 2.486 ( 0.589 7.650 -2.503) 8.071 2.576 ( -1.471 -0.146 -4.990) 5.205 2.694 ( 6.632 3.094 3.229) 7.999 2.826 ( 2.490 -4.349 1.020) 5.114 2.889 ( -2.518 2.219 1.219) 3.571 3.004 ( -5.256 -1.066 0.664) 5.404 3.052 ( 2.089 -4.084 -0.749) 4.648 3.064 ( -1.277 -2.067 0.581) 2.498 3.123 ( 0.360 0.233 1.369) 1.435 3.149 ( -0.239 -2.270 2.271) 3.220 3.349 ( -1.702 2.476 -3.012) 4.254 3.354 ( -2.600 -0.015 0.954) 2.770 3.400 ( -2.027 0.850 -2.584) 3.392 3.477 ( -0.910 -3.591 -4.333) 5.701 3.596 ( 1.878 2.523 -0.368) 3.167 3.608 ( 2.059 0.302 0.683) 2.190 3.694 ( -0.558 3.644 1.117) 3.852 3.777 ( -0.297 -2.729 1.046) 2.938 3.879 ( 1.934 7.562 -4.378) 8.950 3.980 ( 0.818 0.174 -1.785) 1.972 4.025 ( -1.578 2.970 2.026) 3.926 4.070 ( -3.317 -0.845 0.395) 3.446 4.116 ( -4.190 1.915 -5.951) 7.526 4.180 ( -4.975 3.001 -0.271) 5.816 4.236 ( -1.668 -3.077 3.158) 4.715 4.321 ( -1.641 -5.789 0.706) 6.059 4.402 ( -0.020 1.154 7.452) 7.541 4.430 ( 0.738 -1.893 6.615) 6.920 4.474 ( 2.211 1.509 -5.094) 5.754 4.528 ( -0.830 -0.570 -2.320) 2.529 4.633 ( -0.006 0.781 0.827) 1.137 4.701 ( -0.288 0.087 0.312) 0.433 4.764 ( 0.087 -2.537 -0.195) 2.546 4.829 ( -1.224 -4.505 -1.008) 4.775 4.979 ( 1.190 -1.797 -0.547) 2.224 5.012 ( 0.859 -4.367 -1.498) 4.696 5.029 ( 3.316 5.162 2.718) 6.711 5.152 ( -0.457 -4.761 -2.483) 5.389 5.356 ( 1.153 0.366 2.984) 3.220 5.372 ( 0.595 1.074 5.529) 5.663 5.465 ( 0.495 -0.260 2.787) 2.843 5.519 ( 2.007 -0.460 -0.883) 2.241 5.570 ( -0.460 -1.699 -6.142) 6.389 5.620 ( 4.397 -5.001 0.714) 6.697 5.666 ( -2.513 5.997 -2.733) 7.054 5.786 ( 3.003 1.854 1.124) 3.704 5.821 ( 2.933 -4.529 -1.962) 5.741 5.884 ( 0.181 -3.843 3.714) 5.348 6.079 ( 0.156 3.220 1.414) 3.520 6.114 ( -2.740 3.611 -0.144) 4.535 6.139 ( -1.360 -2.316 3.677) 4.554 6.203 ( -0.897 -4.242 -5.324) 6.866 6.593 ( -3.997 3.230 -0.867) 5.212 6.637 ( -3.533 -0.574 -0.571) 3.625 6.661 ( -2.747 2.074 -0.385) 3.464 6.698 ( -4.622 -1.462 -0.647) 4.890 7.909 ( 0.183 0.443 0.434) 0.647 7.922 ( -0.220 -0.669 -0.101) 0.712 8.967 ( -4.323 2.653 0.100) 5.073 8.970 ( -4.446 2.375 0.421) 5.058 10.172 ( 0.692 1.741 1.283) 2.271 10.206 ( -0.717 -1.360 0.611) 1.655 10.462 ( 0.344 -0.411 0.812) 0.973 10.469 ( -0.218 -0.952 0.137) 0.986 10.555 ( -0.147 1.138 -0.493) 1.249 10.587 ( -0.534 -2.157 -1.429) 2.642 11.073 ( 0.059 5.593 3.343) 6.517 11.084 ( 2.583 4.499 -3.536) 6.278 11.160 ( 2.126 -2.856 -3.345) 4.885 11.179 ( -1.554 -3.260 3.324) 4.908 11.300 ( 3.736 -1.277 0.955) 4.062 11.367 ( 2.063 -6.674 -1.646) 7.177 ======================= Grid point 154 (72/72) ======================= q-point: (-0.50 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -0.590 6.221 -1.536) 6.435 1.493 ( 0.590 6.221 1.536) 6.435 1.601 ( -1.457 2.235 -2.809) 3.874 1.601 ( 1.457 2.235 2.809) 3.874 1.759 ( 0.743 0.061 -3.126) 3.214 1.759 ( -0.743 0.061 3.126) 3.214 1.819 ( -3.964 -0.127 0.020) 3.966 1.819 ( 3.964 -0.127 -0.020) 3.966 1.998 ( -3.371 -2.723 -5.734) 7.187 1.998 ( 3.371 -2.723 5.734) 7.187 2.231 ( -0.225 5.916 -4.603) 7.499 2.231 ( 0.225 5.916 4.603) 7.499 2.476 ( -1.276 -0.377 -4.095) 4.305 2.476 ( 1.276 -0.377 4.095) 4.305 2.834 ( -4.508 3.747 -1.441) 6.036 2.834 ( 4.508 3.747 1.441) 6.036 2.910 ( -5.366 -1.834 -0.398) 5.684 2.910 ( 5.366 -1.834 0.398) 5.684 3.057 ( -1.005 -1.718 -0.971) 2.214 3.057 ( 1.005 -1.718 0.971) 2.214 3.145 ( -1.512 -1.875 -0.517) 2.463 3.145 ( 1.512 -1.875 0.517) 2.463 3.321 ( 2.049 2.190 -2.003) 3.606 3.321 ( -2.049 2.190 2.003) 3.606 3.397 ( -2.212 -3.149 -2.832) 4.778 3.397 ( 2.212 -3.149 2.832) 4.778 3.618 ( -0.636 1.609 -0.819) 1.914 3.618 ( 0.636 1.609 0.819) 1.914 3.764 ( -2.254 2.441 -4.805) 5.842 3.764 ( 2.254 2.441 4.805) 5.842 3.925 ( -7.063 4.218 -1.672) 8.395 3.925 ( 7.063 4.218 1.672) 8.395 4.024 ( -0.885 -1.243 -1.221) 1.954 4.024 ( 0.885 -1.243 1.221) 1.954 4.080 ( -1.856 1.219 -3.745) 4.354 4.080 ( 1.856 1.219 3.745) 4.354 4.268 ( -1.240 -3.931 -3.046) 5.126 4.268 ( 1.240 -3.931 3.046) 5.126 4.461 ( 1.953 1.953 -6.506) 7.068 4.461 ( -1.953 1.953 6.506) 7.068 4.495 ( 0.779 -1.756 -5.082) 5.433 4.495 ( -0.779 -1.756 5.082) 5.433 4.663 ( 0.115 2.381 -3.759) 4.451 4.663 ( -0.115 2.381 3.759) 4.451 4.781 ( 0.669 -6.275 -4.832) 7.948 4.781 ( -0.669 -6.275 4.832) 7.948 5.001 ( -0.111 -3.968 -1.249) 4.161 5.001 ( 0.111 -3.968 1.249) 4.161 5.115 ( -1.828 1.473 -2.806) 3.659 5.115 ( 1.828 1.473 2.806) 3.659 5.408 ( -0.407 3.136 -0.907) 3.289 5.408 ( 0.407 3.136 0.907) 3.289 5.488 ( -1.575 -3.795 -2.914) 5.038 5.488 ( 1.575 -3.795 2.914) 5.038 5.583 ( -4.100 5.279 -0.195) 6.687 5.583 ( 4.100 5.279 0.195) 6.687 5.728 ( -4.868 -7.219 -2.701) 9.116 5.728 ( 4.868 -7.219 2.701) 9.116 5.899 ( -0.671 1.255 -2.018) 2.470 5.899 ( 0.671 1.255 2.018) 2.470 6.087 ( 2.312 2.245 -3.970) 5.113 6.087 ( -2.312 2.245 3.970) 5.113 6.156 ( 1.419 -2.990 -5.125) 6.100 6.156 ( -1.419 -2.990 5.125) 6.100 6.560 ( -0.995 0.704 -1.620) 2.028 6.560 ( 0.995 0.704 1.620) 2.028 6.652 ( -0.491 0.475 -1.085) 1.282 6.652 ( 0.491 0.475 1.085) 1.282 7.917 ( -0.176 -0.078 -0.352) 0.401 7.917 ( 0.176 -0.078 0.352) 0.401 8.929 ( -0.035 2.474 -0.042) 2.475 8.929 ( 0.035 2.474 0.042) 2.475 10.196 ( -0.655 0.035 -0.562) 0.864 10.196 ( 0.655 0.035 0.562) 0.864 10.472 ( 0.230 -0.518 -0.697) 0.899 10.472 ( -0.230 -0.518 0.697) 0.899 10.559 ( -0.631 -0.605 -1.070) 1.382 10.559 ( 0.631 -0.605 1.070) 1.382 11.086 ( 1.922 4.826 -3.765) 6.415 11.086 ( -1.922 4.826 3.765) 6.415 11.175 ( 2.630 -2.358 -3.228) 4.785 11.175 ( -2.630 -2.358 3.228) 4.785 11.358 ( -1.006 -4.371 -1.674) 4.788 11.358 ( 1.006 -4.371 1.674) 4.788 =================== 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 3/18816 10.0 92.618 50.738 77.037 0.000 0.447 0.000 3/18816 20.0 19.801 15.141 18.201 0.000 0.154 0.000 3/18816 30.0 8.528 6.965 8.073 0.000 -0.016 0.000 3/18816 40.0 4.930 4.118 4.730 0.000 -0.032 0.000 3/18816 50.0 3.349 2.830 3.237 0.000 -0.031 0.000 3/18816 60.0 2.509 2.139 2.438 0.000 -0.028 0.000 3/18816 70.0 2.002 1.721 1.953 0.000 -0.024 0.000 3/18816 80.0 1.669 1.445 1.632 0.000 -0.022 0.000 3/18816 90.0 1.434 1.251 1.405 0.000 -0.020 0.000 3/18816 100.0 1.260 1.107 1.236 0.000 -0.018 0.000 3/18816 110.0 1.127 0.995 1.105 0.000 -0.017 0.000 3/18816 120.0 1.021 0.906 1.001 0.000 -0.016 0.000 3/18816 130.0 0.934 0.834 0.916 0.000 -0.016 0.000 3/18816 140.0 0.862 0.773 0.845 0.000 -0.015 0.000 3/18816 150.0 0.802 0.721 0.785 0.000 -0.014 0.000 3/18816 160.0 0.749 0.676 0.733 0.000 -0.014 0.000 3/18816 170.0 0.704 0.637 0.688 0.000 -0.013 0.000 3/18816 180.0 0.664 0.602 0.649 0.000 -0.013 0.000 3/18816 190.0 0.629 0.571 0.613 0.000 -0.013 0.000 3/18816 200.0 0.597 0.543 0.582 0.000 -0.012 0.000 3/18816 210.0 0.568 0.518 0.554 0.000 -0.012 0.000 3/18816 220.0 0.543 0.496 0.528 0.000 -0.012 0.000 3/18816 230.0 0.519 0.475 0.505 0.000 -0.011 0.000 3/18816 240.0 0.497 0.456 0.484 0.000 -0.011 0.000 3/18816 250.0 0.478 0.438 0.465 0.000 -0.011 0.000 3/18816 260.0 0.460 0.422 0.447 0.000 -0.010 0.000 3/18816 270.0 0.443 0.407 0.430 0.000 -0.010 0.000 3/18816 280.0 0.427 0.393 0.415 0.000 -0.010 0.000 3/18816 290.0 0.412 0.379 0.400 0.000 -0.010 0.000 3/18816 300.0 0.399 0.367 0.387 0.000 -0.009 0.000 3/18816 310.0 0.386 0.356 0.375 0.000 -0.009 0.000 3/18816 320.0 0.374 0.345 0.363 0.000 -0.009 0.000 3/18816 330.0 0.363 0.335 0.352 0.000 -0.009 0.000 3/18816 340.0 0.352 0.325 0.342 0.000 -0.009 0.000 3/18816 350.0 0.343 0.316 0.332 0.000 -0.008 0.000 3/18816 360.0 0.333 0.308 0.323 0.000 -0.008 0.000 3/18816 370.0 0.324 0.300 0.314 0.000 -0.008 0.000 3/18816 380.0 0.316 0.292 0.306 0.000 -0.008 0.000 3/18816 390.0 0.308 0.285 0.298 0.000 -0.008 0.000 3/18816 400.0 0.300 0.278 0.291 0.000 -0.008 0.000 3/18816 410.0 0.293 0.271 0.284 0.000 -0.007 0.000 3/18816 420.0 0.286 0.265 0.277 0.000 -0.007 0.000 3/18816 430.0 0.279 0.259 0.270 0.000 -0.007 0.000 3/18816 440.0 0.273 0.253 0.264 0.000 -0.007 0.000 3/18816 450.0 0.267 0.247 0.258 0.000 -0.007 0.000 3/18816 460.0 0.261 0.242 0.253 0.000 -0.007 0.000 3/18816 470.0 0.256 0.237 0.247 0.000 -0.007 0.000 3/18816 480.0 0.251 0.232 0.242 0.000 -0.006 0.000 3/18816 490.0 0.246 0.228 0.237 0.000 -0.006 0.000 3/18816 500.0 0.241 0.223 0.233 0.000 -0.006 0.000 3/18816 510.0 0.236 0.219 0.228 0.000 -0.006 0.000 3/18816 520.0 0.232 0.215 0.224 0.000 -0.006 0.000 3/18816 530.0 0.227 0.211 0.220 0.000 -0.006 0.000 3/18816 540.0 0.223 0.207 0.216 0.000 -0.006 0.000 3/18816 550.0 0.219 0.203 0.212 0.000 -0.006 0.000 3/18816 560.0 0.215 0.200 0.208 0.000 -0.006 0.000 3/18816 570.0 0.211 0.196 0.204 0.000 -0.006 0.000 3/18816 580.0 0.208 0.193 0.201 0.000 -0.005 0.000 3/18816 590.0 0.204 0.190 0.197 0.000 -0.005 0.000 3/18816 600.0 0.201 0.186 0.194 0.000 -0.005 0.000 3/18816 610.0 0.198 0.183 0.191 0.000 -0.005 0.000 3/18816 620.0 0.195 0.181 0.188 0.000 -0.005 0.000 3/18816 630.0 0.191 0.178 0.185 0.000 -0.005 0.000 3/18816 640.0 0.188 0.175 0.182 0.000 -0.005 0.000 3/18816 650.0 0.186 0.172 0.179 0.000 -0.005 0.000 3/18816 660.0 0.183 0.170 0.176 0.000 -0.005 0.000 3/18816 670.0 0.180 0.167 0.174 0.000 -0.005 0.000 3/18816 680.0 0.177 0.165 0.171 0.000 -0.005 0.000 3/18816 690.0 0.175 0.162 0.169 0.000 -0.005 0.000 3/18816 700.0 0.172 0.160 0.166 0.000 -0.005 0.000 3/18816 710.0 0.170 0.158 0.164 0.000 -0.005 0.000 3/18816 720.0 0.168 0.156 0.162 0.000 -0.004 0.000 3/18816 730.0 0.165 0.154 0.160 0.000 -0.004 0.000 3/18816 740.0 0.163 0.152 0.157 0.000 -0.004 0.000 3/18816 750.0 0.161 0.150 0.155 0.000 -0.004 0.000 3/18816 760.0 0.159 0.148 0.153 0.000 -0.004 0.000 3/18816 770.0 0.157 0.146 0.151 0.000 -0.004 0.000 3/18816 780.0 0.155 0.144 0.149 0.000 -0.004 0.000 3/18816 790.0 0.153 0.142 0.148 0.000 -0.004 0.000 3/18816 800.0 0.151 0.140 0.146 0.000 -0.004 0.000 3/18816 810.0 0.149 0.139 0.144 0.000 -0.004 0.000 3/18816 820.0 0.147 0.137 0.142 0.000 -0.004 0.000 3/18816 830.0 0.146 0.135 0.140 0.000 -0.004 0.000 3/18816 840.0 0.144 0.134 0.139 0.000 -0.004 0.000 3/18816 850.0 0.142 0.132 0.137 0.000 -0.004 0.000 3/18816 860.0 0.141 0.131 0.136 0.000 -0.004 0.000 3/18816 870.0 0.139 0.129 0.134 0.000 -0.004 0.000 3/18816 880.0 0.137 0.128 0.132 0.000 -0.004 0.000 3/18816 890.0 0.136 0.126 0.131 0.000 -0.004 0.000 3/18816 900.0 0.134 0.125 0.130 0.000 -0.004 0.000 3/18816 910.0 0.133 0.123 0.128 0.000 -0.004 0.000 3/18816 920.0 0.131 0.122 0.127 0.000 -0.004 0.000 3/18816 930.0 0.130 0.121 0.125 0.000 -0.003 0.000 3/18816 940.0 0.129 0.120 0.124 0.000 -0.003 0.000 3/18816 950.0 0.127 0.118 0.123 0.000 -0.003 0.000 3/18816 960.0 0.126 0.117 0.121 0.000 -0.003 0.000 3/18816 970.0 0.125 0.116 0.120 0.000 -0.003 0.000 3/18816 980.0 0.123 0.115 0.119 0.000 -0.003 0.000 3/18816 990.0 0.122 0.114 0.118 0.000 -0.003 0.000 3/18816 1000.0 0.121 0.112 0.117 0.000 -0.003 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m874.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:17:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|