# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/71cfc25f-7172-4121-b6ce-c110ea880192/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Nd2TiO5 / Pnma (62) / materials id 17904](https://mdr.nims.go.jp/datasets/1c2bc173-683a-4863-8887-8266df7b17e9) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 03:54:48]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)Number of symmetry operations in supercell: 24------------------------------ primitive cell ------------------------------Lattice vectors: a 10.690509509999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.813863970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.419161800000001Atomic positions (fractional): *1 O 0.47913988837858 0.25000000000000 0.34058856764827 15.999 2 O 0.52086011162142 0.75000000000000 0.65941143235173 15.999 3 O 0.97913988837858 0.25000000000000 0.15941143235173 15.999 4 O 0.02086011162142 0.75000000000000 0.84058856764827 15.999 *5 O 0.23353370989187 0.25000000000000 0.22912063166465 15.999 6 O 0.76646629010813 0.75000000000000 0.77087936833535 15.999 7 O 0.73353370989187 0.25000000000000 0.27087936833535 15.999 8 O 0.26646629010813 0.75000000000000 0.72912063166465 15.999 *9 O 0.26270501176348 0.75000000000000 0.37882186385196 15.999 10 O 0.73729498823652 0.25000000000000 0.62117813614803 15.999 11 O 0.76270501176348 0.75000000000000 0.12117813614804 15.999 12 O 0.23729498823652 0.25000000000000 0.87882186385197 15.999 *13 O 0.00886881437327 0.25000000000000 0.60349070537340 15.999 14 O 0.99113118562673 0.75000000000000 0.39650929462660 15.999 15 O 0.50886881437327 0.25000000000000 0.89650929462660 15.999 16 O 0.49113118562673 0.75000000000000 0.10349070537340 15.999 *17 O 0.27697962998677 0.25000000000000 0.53685394055694 15.999 18 O 0.72302037001323 0.75000000000000 0.46314605944306 15.999 19 O 0.77697962998677 0.25000000000000 0.96314605944306 15.999 20 O 0.22302037001323 0.75000000000000 0.03685394055694 15.999 *21 Ti 0.31726692537388 0.25000000000000 0.37602631730218 47.867 22 Ti 0.68273307462612 0.75000000000000 0.62397368269782 47.867 23 Ti 0.81726692537388 0.25000000000000 0.12397368269782 47.867 24 Ti 0.18273307462612 0.75000000000000 0.87602631730218 47.867 *25 Nd 0.10598410973811 0.75000000000000 0.22054875727909 144.242 26 Nd 0.89401589026189 0.25000000000000 0.77945124272091 144.242 27 Nd 0.60598410973811 0.75000000000000 0.27945124272091 144.242 28 Nd 0.39401589026189 0.25000000000000 0.72054875727909 144.242 *29 Nd 0.36252902716672 0.25000000000000 0.05616726670173 144.242 30 Nd 0.63747097283328 0.75000000000000 0.94383273329827 144.242 31 Nd 0.86252902716672 0.25000000000000 0.44383273329827 144.242 32 Nd 0.13747097283328 0.75000000000000 0.55616726670173 144.242-------------------------------- unit cell ---------------------------------Lattice vectors: a 10.690509509999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.813863970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.419161800000001Atomic positions (fractional): *1 O 0.47913988837858 0.25000000000000 0.34058856764827 15.999 > 1 2 O 0.52086011162142 0.75000000000000 0.65941143235173 15.999 > 2 3 O 0.97913988837858 0.25000000000000 0.15941143235173 15.999 > 3 4 O 0.02086011162142 0.75000000000000 0.84058856764827 15.999 > 4 *5 O 0.23353370989187 0.25000000000000 0.22912063166465 15.999 > 5 6 O 0.76646629010813 0.75000000000000 0.77087936833535 15.999 > 6 7 O 0.73353370989187 0.25000000000000 0.27087936833535 15.999 > 7 8 O 0.26646629010813 0.75000000000000 0.72912063166465 15.999 > 8 *9 O 0.26270501176348 0.75000000000000 0.37882186385196 15.999 > 9 10 O 0.73729498823652 0.25000000000000 0.62117813614803 15.999 > 10 11 O 0.76270501176348 0.75000000000000 0.12117813614804 15.999 > 11 12 O 0.23729498823652 0.25000000000000 0.87882186385197 15.999 > 12 *13 O 0.00886881437327 0.25000000000000 0.60349070537340 15.999 > 13 14 O 0.99113118562673 0.75000000000000 0.39650929462660 15.999 > 14 15 O 0.50886881437327 0.25000000000000 0.89650929462660 15.999 > 15 16 O 0.49113118562673 0.75000000000000 0.10349070537340 15.999 > 16 *17 O 0.27697962998677 0.25000000000000 0.53685394055694 15.999 > 17 18 O 0.72302037001323 0.75000000000000 0.46314605944306 15.999 > 18 19 O 0.77697962998677 0.25000000000000 0.96314605944306 15.999 > 19 20 O 0.22302037001323 0.75000000000000 0.03685394055694 15.999 > 20 *21 Ti 0.31726692537388 0.25000000000000 0.37602631730218 47.867 > 21 22 Ti 0.68273307462612 0.75000000000000 0.62397368269782 47.867 > 22 23 Ti 0.81726692537388 0.25000000000000 0.12397368269782 47.867 > 23 24 Ti 0.18273307462612 0.75000000000000 0.87602631730218 47.867 > 24 *25 Nd 0.10598410973811 0.75000000000000 0.22054875727909 144.242 > 25 26 Nd 0.89401589026189 0.25000000000000 0.77945124272091 144.242 > 26 27 Nd 0.60598410973811 0.75000000000000 0.27945124272091 144.242 > 27 28 Nd 0.39401589026189 0.25000000000000 0.72054875727909 144.242 > 28 *29 Nd 0.36252902716672 0.25000000000000 0.05616726670173 144.242 > 29 30 Nd 0.63747097283328 0.75000000000000 0.94383273329827 144.242 > 30 31 Nd 0.86252902716672 0.25000000000000 0.44383273329827 144.242 > 31 32 Nd 0.13747097283328 0.75000000000000 0.55616726670173 144.242 > 32-------------------------------- super cell --------------------------------Lattice vectors: a 10.690509509999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.441591910000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.419161800000001Atomic positions (fractional): *1 O 0.47913988837858 0.08333333333333 0.34058856764827 15.999 > 1 2 O 0.47913988837858 0.41666666666667 0.34058856764827 15.999 > 1 3 O 0.47913988837858 0.75000000000000 0.34058856764827 15.999 > 1 4 O 0.52086011162142 0.25000000000000 0.65941143235173 15.999 > 2 5 O 0.52086011162142 0.58333333333333 0.65941143235173 15.999 > 2 6 O 0.52086011162142 0.91666666666667 0.65941143235173 15.999 > 2 7 O 0.97913988837858 0.08333333333333 0.15941143235173 15.999 > 3 8 O 0.97913988837858 0.41666666666667 0.15941143235173 15.999 > 3 9 O 0.97913988837858 0.75000000000000 0.15941143235173 15.999 > 3 10 O 0.02086011162142 0.25000000000000 0.84058856764827 15.999 > 4 11 O 0.02086011162142 0.58333333333333 0.84058856764827 15.999 > 4 12 O 0.02086011162142 0.91666666666667 0.84058856764827 15.999 > 4 *13 O 0.23353370989187 0.08333333333333 0.22912063166465 15.999 > 5 14 O 0.23353370989187 0.41666666666667 0.22912063166465 15.999 > 5 15 O 0.23353370989187 0.75000000000000 0.22912063166465 15.999 > 5 16 O 0.76646629010813 0.25000000000000 0.77087936833535 15.999 > 6 17 O 0.76646629010813 0.58333333333333 0.77087936833535 15.999 > 6 18 O 0.76646629010813 0.91666666666667 0.77087936833535 15.999 > 6 19 O 0.73353370989187 0.08333333333333 0.27087936833535 15.999 > 7 20 O 0.73353370989187 0.41666666666667 0.27087936833535 15.999 > 7 21 O 0.73353370989187 0.75000000000000 0.27087936833535 15.999 > 7 22 O 0.26646629010813 0.25000000000000 0.72912063166465 15.999 > 8 23 O 0.26646629010813 0.58333333333333 0.72912063166465 15.999 > 8 24 O 0.26646629010813 0.91666666666667 0.72912063166465 15.999 > 8 *25 O 0.26270501176348 0.25000000000000 0.37882186385196 15.999 > 9 26 O 0.26270501176348 0.58333333333333 0.37882186385196 15.999 > 9 27 O 0.26270501176348 0.91666666666667 0.37882186385196 15.999 > 9 28 O 0.73729498823652 0.08333333333333 0.62117813614803 15.999 > 10 29 O 0.73729498823652 0.41666666666667 0.62117813614803 15.999 > 10 30 O 0.73729498823652 0.75000000000000 0.62117813614803 15.999 > 10 31 O 0.76270501176348 0.25000000000000 0.12117813614804 15.999 > 11 32 O 0.76270501176348 0.58333333333333 0.12117813614804 15.999 > 11 33 O 0.76270501176348 0.91666666666667 0.12117813614804 15.999 > 11 34 O 0.23729498823652 0.08333333333333 0.87882186385197 15.999 > 12 35 O 0.23729498823652 0.41666666666667 0.87882186385197 15.999 > 12 36 O 0.23729498823652 0.75000000000000 0.87882186385197 15.999 > 12 *37 O 0.00886881437327 0.08333333333333 0.60349070537340 15.999 > 13 38 O 0.00886881437327 0.41666666666667 0.60349070537340 15.999 > 13 39 O 0.00886881437327 0.75000000000000 0.60349070537340 15.999 > 13 40 O 0.99113118562673 0.25000000000000 0.39650929462660 15.999 > 14 41 O 0.99113118562673 0.58333333333333 0.39650929462660 15.999 > 14 42 O 0.99113118562673 0.91666666666667 0.39650929462660 15.999 > 14 43 O 0.50886881437327 0.08333333333333 0.89650929462660 15.999 > 15 44 O 0.50886881437327 0.41666666666667 0.89650929462660 15.999 > 15 45 O 0.50886881437327 0.75000000000000 0.89650929462660 15.999 > 15 46 O 0.49113118562673 0.25000000000000 0.10349070537340 15.999 > 16 47 O 0.49113118562673 0.58333333333333 0.10349070537340 15.999 > 16 48 O 0.49113118562673 0.91666666666667 0.10349070537340 15.999 > 16 *49 O 0.27697962998677 0.08333333333333 0.53685394055694 15.999 > 17 50 O 0.27697962998677 0.41666666666667 0.53685394055694 15.999 > 17 51 O 0.27697962998677 0.75000000000000 0.53685394055694 15.999 > 17 52 O 0.72302037001323 0.25000000000000 0.46314605944306 15.999 > 18 53 O 0.72302037001323 0.58333333333333 0.46314605944306 15.999 > 18 54 O 0.72302037001323 0.91666666666667 0.46314605944306 15.999 > 18 55 O 0.77697962998677 0.08333333333333 0.96314605944306 15.999 > 19 56 O 0.77697962998677 0.41666666666667 0.96314605944306 15.999 > 19 57 O 0.77697962998677 0.75000000000000 0.96314605944306 15.999 > 19 58 O 0.22302037001323 0.25000000000000 0.03685394055694 15.999 > 20 59 O 0.22302037001323 0.58333333333333 0.03685394055694 15.999 > 20 60 O 0.22302037001323 0.91666666666667 0.03685394055694 15.999 > 20 *61 Ti 0.31726692537388 0.08333333333333 0.37602631730218 47.867 > 21 62 Ti 0.31726692537388 0.41666666666667 0.37602631730218 47.867 > 21 63 Ti 0.31726692537388 0.75000000000000 0.37602631730218 47.867 > 21 64 Ti 0.68273307462612 0.25000000000000 0.62397368269782 47.867 > 22 65 Ti 0.68273307462612 0.58333333333333 0.62397368269782 47.867 > 22 66 Ti 0.68273307462612 0.91666666666667 0.62397368269782 47.867 > 22 67 Ti 0.81726692537388 0.08333333333333 0.12397368269782 47.867 > 23 68 Ti 0.81726692537388 0.41666666666667 0.12397368269782 47.867 > 23 69 Ti 0.81726692537388 0.75000000000000 0.12397368269782 47.867 > 23 70 Ti 0.18273307462612 0.25000000000000 0.87602631730218 47.867 > 24 71 Ti 0.18273307462612 0.58333333333333 0.87602631730218 47.867 > 24 72 Ti 0.18273307462612 0.91666666666667 0.87602631730218 47.867 > 24 *73 Nd 0.10598410973811 0.25000000000000 0.22054875727909 144.242 > 25 74 Nd 0.10598410973811 0.58333333333333 0.22054875727909 144.242 > 25 75 Nd 0.10598410973811 0.91666666666667 0.22054875727909 144.242 > 25 76 Nd 0.89401589026189 0.08333333333333 0.77945124272091 144.242 > 26 77 Nd 0.89401589026189 0.41666666666667 0.77945124272091 144.242 > 26 78 Nd 0.89401589026189 0.75000000000000 0.77945124272091 144.242 > 26 79 Nd 0.60598410973811 0.25000000000000 0.27945124272091 144.242 > 27 80 Nd 0.60598410973811 0.58333333333333 0.27945124272091 144.242 > 27 81 Nd 0.60598410973811 0.91666666666667 0.27945124272091 144.242 > 27 82 Nd 0.39401589026189 0.08333333333333 0.72054875727909 144.242 > 28 83 Nd 0.39401589026189 0.41666666666667 0.72054875727909 144.242 > 28 84 Nd 0.39401589026189 0.75000000000000 0.72054875727909 144.242 > 28 *85 Nd 0.36252902716672 0.08333333333333 0.05616726670173 144.242 > 29 86 Nd 0.36252902716672 0.41666666666667 0.05616726670173 144.242 > 29 87 Nd 0.36252902716672 0.75000000000000 0.05616726670173 144.242 > 29 88 Nd 0.63747097283328 0.25000000000000 0.94383273329827 144.242 > 30 89 Nd 0.63747097283328 0.58333333333333 0.94383273329827 144.242 > 30 90 Nd 0.63747097283328 0.91666666666667 0.94383273329827 144.242 > 30 91 Nd 0.86252902716672 0.08333333333333 0.44383273329827 144.242 > 31 92 Nd 0.86252902716672 0.41666666666667 0.44383273329827 144.242 > 31 93 Nd 0.86252902716672 0.75000000000000 0.44383273329827 144.242 > 31 94 Nd 0.13747097283328 0.25000000000000 0.55616726670173 144.242 > 32 95 Nd 0.13747097283328 0.58333333333333 0.55616726670173 144.242 > 32 96 Nd 0.13747097283328 0.91666666666667 0.55616726670173 144.242 > 32----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.4979446 0.0000000 0.0000000 0.0000000 4.7135669 0.0000000 0.0000000 0.0000000 4.6168376-------------------------- Born effective charges -------------------------- 1 O -3.6993072 0.0000000 0.8251087 0.0000000 -1.8508646 0.0000000 0.9461805 0.0000000 -1.2604038 2 O -3.6993072 0.0000000 0.8251087 0.0000000 -1.8508646 0.0000000 0.9461805 0.0000000 -1.2604038 3 O -3.6993072 0.0000000 -0.8251087 0.0000000 -1.8508646 0.0000000 -0.9461805 0.0000000 -1.2604038 4 O -3.6993072 0.0000000 -0.8251087 0.0000000 -1.8508646 0.0000000 -0.9461805 0.0000000 -1.2604038 5 O -2.3124259 0.0000000 -0.3070289 0.0000000 -2.5192856 0.0000000 -0.3693641 0.0000000 -3.0782095 6 O -2.3124259 0.0000000 -0.3070289 0.0000000 -2.5192856 0.0000000 -0.3693641 0.0000000 -3.0782095 7 O -2.3124259 0.0000000 0.3070289 0.0000000 -2.5192856 0.0000000 0.3693641 0.0000000 -3.0782095 8 O -2.3124259 0.0000000 0.3070289 0.0000000 -2.5192856 0.0000000 0.3693641 0.0000000 -3.0782095 9 O -1.5619542 0.0000000 -0.0368510 0.0000000 -4.1358125 0.0000000 0.1293552 0.0000000 -1.8012264 10 O -1.5619542 0.0000000 -0.0368510 0.0000000 -4.1358125 0.0000000 0.1293552 0.0000000 -1.8012264 11 O -1.5619542 0.0000000 0.0368510 0.0000000 -4.1358125 0.0000000 -0.1293552 0.0000000 -1.8012264 12 O -1.5619542 0.0000000 0.0368510 0.0000000 -4.1358125 0.0000000 -0.1293552 0.0000000 -1.8012264 13 O -2.5756334 0.0000000 0.1182819 0.0000000 -2.4800836 0.0000000 0.4551230 0.0000000 -2.6412741 14 O -2.5756334 0.0000000 0.1182819 0.0000000 -2.4800836 0.0000000 0.4551230 0.0000000 -2.6412741 15 O -2.5756334 0.0000000 -0.1182819 0.0000000 -2.4800836 0.0000000 -0.4551230 0.0000000 -2.6412741 16 O -2.5756334 0.0000000 -0.1182819 0.0000000 -2.4800836 0.0000000 -0.4551230 0.0000000 -2.6412741 17 O -1.8346182 0.0000000 0.0892965 0.0000000 -2.3136757 0.0000000 0.2397231 0.0000000 -3.7972507 18 O -1.8346182 0.0000000 0.0892965 0.0000000 -2.3136757 0.0000000 0.2397231 0.0000000 -3.7972507 19 O -1.8346182 0.0000000 -0.0892965 0.0000000 -2.3136757 0.0000000 -0.2397231 0.0000000 -3.7972507 20 O -1.8346182 0.0000000 -0.0892965 0.0000000 -2.3136757 0.0000000 -0.2397231 0.0000000 -3.7972507 21 Ti 3.5406357 0.0000000 -0.1634551 0.0000000 5.2073868 0.0000000 -0.4867272 0.0000000 4.6453872 22 Ti 3.5406357 0.0000000 -0.1634551 0.0000000 5.2073868 0.0000000 -0.4867272 0.0000000 4.6453872 23 Ti 3.5406357 0.0000000 0.1634551 0.0000000 5.2073868 0.0000000 0.4867272 0.0000000 4.6453872 24 Ti 3.5406357 0.0000000 0.1634551 0.0000000 5.2073868 0.0000000 0.4867272 0.0000000 4.6453872 25 Nd 4.5049105 0.0000000 -0.1021996 0.0000000 4.0314974 0.0000000 -0.4749113 0.0000000 4.1680686 26 Nd 4.5049105 0.0000000 -0.1021996 0.0000000 4.0314974 0.0000000 -0.4749113 0.0000000 4.1680686 27 Nd 4.5049105 0.0000000 0.1021996 0.0000000 4.0314974 0.0000000 0.4749113 0.0000000 4.1680686 28 Nd 4.5049105 0.0000000 0.1021996 0.0000000 4.0314974 0.0000000 0.4749113 0.0000000 4.1680686 29 Nd 3.9383927 0.0000000 -0.3374233 0.0000000 4.0608378 0.0000000 0.0554527 0.0000000 3.7649086 30 Nd 3.9383927 0.0000000 -0.3374233 0.0000000 4.0608378 0.0000000 0.0554527 0.0000000 3.7649086 31 Nd 3.9383927 0.0000000 0.3374233 0.0000000 4.0608378 0.0000000 -0.0554527 0.0000000 3.7649086 32 Nd 3.9383927 0.0000000 0.3374233 0.0000000 4.0608378 0.0000000 -0.0554527 0.0000000 3.7649086----------------------------------------------------------------------------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: 288/288Permutation basis: 14064/14064Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1888Number of blocks in projector: 1888Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 512Use submatrix version of eigh solver.(1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 496 eigenvectors found.(1) Complementary block size: 16(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 256Use standard eigh solver.Tree of FC basis block matrices:- (1888, 1848), data: False|-- (256, 256), data: True|-- (256, 256), data: True|-- (288, 280), data: True|-- (288, 280), data: True|-- (288, 280), data: True|-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True-----Solver_atoms: 1 -- 96 / 96Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 480 - Time: 2.530Solver_block: 200 / 480 - Time: 2.544Solver_block: 300 / 480 - Time: 2.543Solver_block: 400 / 480 - Time: 2.535Solver_block: 480 / 480 - Time: 2.070Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.278--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288Permutation basis: 14064/14064Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1888Number of blocks in projector: 1888Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 512Use submatrix version of eigh solver.(1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 496 eigenvectors found.(1) Complementary block size: 16(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 256Use standard eigh solver.Tree of FC basis block matrices:- (1888, 1848), data: False|-- (256, 256), data: True|-- (256, 256), data: True|-- (288, 280), data: True|-- (288, 280), data: True|-- (288, 280), data: True|-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 03:55:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 03:55:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 10.690509509999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.813863970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.419161800000001Atomic positions (fractional): 1 O 0.47913988837858 0.25000000000000 0.34058856764827 15.999 2 O 0.52086011162142 0.75000000000000 0.65941143235173 15.999 3 O 0.97913988837858 0.25000000000000 0.15941143235173 15.999 4 O 0.02086011162142 0.75000000000000 0.84058856764827 15.999 5 O 0.23353370989187 0.25000000000000 0.22912063166465 15.999 6 O 0.76646629010813 0.75000000000000 0.77087936833535 15.999 7 O 0.73353370989187 0.25000000000000 0.27087936833535 15.999 8 O 0.26646629010813 0.75000000000000 0.72912063166465 15.999 9 O 0.26270501176348 0.75000000000000 0.37882186385196 15.999 10 O 0.73729498823652 0.25000000000000 0.62117813614803 15.999 11 O 0.76270501176348 0.75000000000000 0.12117813614804 15.999 12 O 0.23729498823652 0.25000000000000 0.87882186385197 15.999 13 O 0.00886881437327 0.25000000000000 0.60349070537340 15.999 14 O 0.99113118562673 0.75000000000000 0.39650929462660 15.999 15 O 0.50886881437327 0.25000000000000 0.89650929462660 15.999 16 O 0.49113118562673 0.75000000000000 0.10349070537340 15.999 17 O 0.27697962998677 0.25000000000000 0.53685394055694 15.999 18 O 0.72302037001323 0.75000000000000 0.46314605944306 15.999 19 O 0.77697962998677 0.25000000000000 0.96314605944306 15.999 20 O 0.22302037001323 0.75000000000000 0.03685394055694 15.999 21 Ti 0.31726692537388 0.25000000000000 0.37602631730218 47.867 22 Ti 0.68273307462612 0.75000000000000 0.62397368269782 47.867 23 Ti 0.81726692537388 0.25000000000000 0.12397368269782 47.867 24 Ti 0.18273307462612 0.75000000000000 0.87602631730218 47.867 25 Nd 0.10598410973811 0.75000000000000 0.22054875727909 144.242 26 Nd 0.89401589026189 0.25000000000000 0.77945124272091 144.242 27 Nd 0.60598410973811 0.75000000000000 0.27945124272091 144.242 28 Nd 0.39401589026189 0.25000000000000 0.72054875727909 144.242 29 Nd 0.36252902716672 0.25000000000000 0.05616726670173 144.242 30 Nd 0.63747097283328 0.75000000000000 0.94383273329827 144.242 31 Nd 0.86252902716672 0.25000000000000 0.44383273329827 144.242 32 Nd 0.13747097283328 0.75000000000000 0.55616726670173 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 10.690509509999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.441591910000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.419161800000001Atomic positions (fractional): 1 O 0.47913988837858 0.08333333333333 0.34058856764827 15.999 > 1 2 O 0.47913988837858 0.41666666666667 0.34058856764827 15.999 > 1 3 O 0.47913988837858 0.75000000000000 0.34058856764827 15.999 > 1 4 O 0.52086011162142 0.25000000000000 0.65941143235173 15.999 > 4 5 O 0.52086011162142 0.58333333333333 0.65941143235173 15.999 > 4 6 O 0.52086011162142 0.91666666666667 0.65941143235173 15.999 > 4 7 O 0.97913988837858 0.08333333333333 0.15941143235173 15.999 > 7 8 O 0.97913988837858 0.41666666666667 0.15941143235173 15.999 > 7 9 O 0.97913988837858 0.75000000000000 0.15941143235173 15.999 > 7 10 O 0.02086011162142 0.25000000000000 0.84058856764827 15.999 > 10 11 O 0.02086011162142 0.58333333333333 0.84058856764827 15.999 > 10 12 O 0.02086011162142 0.91666666666667 0.84058856764827 15.999 > 10 13 O 0.23353370989187 0.08333333333333 0.22912063166465 15.999 > 13 14 O 0.23353370989187 0.41666666666667 0.22912063166465 15.999 > 13 15 O 0.23353370989187 0.75000000000000 0.22912063166465 15.999 > 13 16 O 0.76646629010813 0.25000000000000 0.77087936833535 15.999 > 16 17 O 0.76646629010813 0.58333333333333 0.77087936833535 15.999 > 16 18 O 0.76646629010813 0.91666666666667 0.77087936833535 15.999 > 16 19 O 0.73353370989187 0.08333333333333 0.27087936833535 15.999 > 19 20 O 0.73353370989187 0.41666666666667 0.27087936833535 15.999 > 19 21 O 0.73353370989187 0.75000000000000 0.27087936833535 15.999 > 19 22 O 0.26646629010813 0.25000000000000 0.72912063166465 15.999 > 22 23 O 0.26646629010813 0.58333333333333 0.72912063166465 15.999 > 22 24 O 0.26646629010813 0.91666666666667 0.72912063166465 15.999 > 22 25 O 0.26270501176348 0.25000000000000 0.37882186385196 15.999 > 25 26 O 0.26270501176348 0.58333333333333 0.37882186385196 15.999 > 25 27 O 0.26270501176348 0.91666666666667 0.37882186385196 15.999 > 25 28 O 0.73729498823652 0.08333333333333 0.62117813614803 15.999 > 28 29 O 0.73729498823652 0.41666666666667 0.62117813614803 15.999 > 28 30 O 0.73729498823652 0.75000000000000 0.62117813614803 15.999 > 28 31 O 0.76270501176348 0.25000000000000 0.12117813614804 15.999 > 31 32 O 0.76270501176348 0.58333333333333 0.12117813614804 15.999 > 31 33 O 0.76270501176348 0.91666666666667 0.12117813614804 15.999 > 31 34 O 0.23729498823652 0.08333333333333 0.87882186385197 15.999 > 34 35 O 0.23729498823652 0.41666666666667 0.87882186385197 15.999 > 34 36 O 0.23729498823652 0.75000000000000 0.87882186385197 15.999 > 34 37 O 0.00886881437327 0.08333333333333 0.60349070537340 15.999 > 37 38 O 0.00886881437327 0.41666666666667 0.60349070537340 15.999 > 37 39 O 0.00886881437327 0.75000000000000 0.60349070537340 15.999 > 37 40 O 0.99113118562673 0.25000000000000 0.39650929462660 15.999 > 40 41 O 0.99113118562673 0.58333333333333 0.39650929462660 15.999 > 40 42 O 0.99113118562673 0.91666666666667 0.39650929462660 15.999 > 40 43 O 0.50886881437327 0.08333333333333 0.89650929462660 15.999 > 43 44 O 0.50886881437327 0.41666666666667 0.89650929462660 15.999 > 43 45 O 0.50886881437327 0.75000000000000 0.89650929462660 15.999 > 43 46 O 0.49113118562673 0.25000000000000 0.10349070537340 15.999 > 46 47 O 0.49113118562673 0.58333333333333 0.10349070537340 15.999 > 46 48 O 0.49113118562673 0.91666666666667 0.10349070537340 15.999 > 46 49 O 0.27697962998677 0.08333333333333 0.53685394055694 15.999 > 49 50 O 0.27697962998677 0.41666666666667 0.53685394055694 15.999 > 49 51 O 0.27697962998677 0.75000000000000 0.53685394055694 15.999 > 49 52 O 0.72302037001323 0.25000000000000 0.46314605944306 15.999 > 52 53 O 0.72302037001323 0.58333333333333 0.46314605944306 15.999 > 52 54 O 0.72302037001323 0.91666666666667 0.46314605944306 15.999 > 52 55 O 0.77697962998677 0.08333333333333 0.96314605944306 15.999 > 55 56 O 0.77697962998677 0.41666666666667 0.96314605944306 15.999 > 55 57 O 0.77697962998677 0.75000000000000 0.96314605944306 15.999 > 55 58 O 0.22302037001323 0.25000000000000 0.03685394055694 15.999 > 58 59 O 0.22302037001323 0.58333333333333 0.03685394055694 15.999 > 58 60 O 0.22302037001323 0.91666666666667 0.03685394055694 15.999 > 58 61 Ti 0.31726692537388 0.08333333333333 0.37602631730218 47.867 > 61 62 Ti 0.31726692537388 0.41666666666667 0.37602631730218 47.867 > 61 63 Ti 0.31726692537388 0.75000000000000 0.37602631730218 47.867 > 61 64 Ti 0.68273307462612 0.25000000000000 0.62397368269782 47.867 > 64 65 Ti 0.68273307462612 0.58333333333333 0.62397368269782 47.867 > 64 66 Ti 0.68273307462612 0.91666666666667 0.62397368269782 47.867 > 64 67 Ti 0.81726692537388 0.08333333333333 0.12397368269782 47.867 > 67 68 Ti 0.81726692537388 0.41666666666667 0.12397368269782 47.867 > 67 69 Ti 0.81726692537388 0.75000000000000 0.12397368269782 47.867 > 67 70 Ti 0.18273307462612 0.25000000000000 0.87602631730218 47.867 > 70 71 Ti 0.18273307462612 0.58333333333333 0.87602631730218 47.867 > 70 72 Ti 0.18273307462612 0.91666666666667 0.87602631730218 47.867 > 70 73 Nd 0.10598410973811 0.25000000000000 0.22054875727909 144.242 > 73 74 Nd 0.10598410973811 0.58333333333333 0.22054875727909 144.242 > 73 75 Nd 0.10598410973811 0.91666666666667 0.22054875727909 144.242 > 73 76 Nd 0.89401589026189 0.08333333333333 0.77945124272091 144.242 > 76 77 Nd 0.89401589026189 0.41666666666667 0.77945124272091 144.242 > 76 78 Nd 0.89401589026189 0.75000000000000 0.77945124272091 144.242 > 76 79 Nd 0.60598410973811 0.25000000000000 0.27945124272091 144.242 > 79 80 Nd 0.60598410973811 0.58333333333333 0.27945124272091 144.242 > 79 81 Nd 0.60598410973811 0.91666666666667 0.27945124272091 144.242 > 79 82 Nd 0.39401589026189 0.08333333333333 0.72054875727909 144.242 > 82 83 Nd 0.39401589026189 0.41666666666667 0.72054875727909 144.242 > 82 84 Nd 0.39401589026189 0.75000000000000 0.72054875727909 144.242 > 82 85 Nd 0.36252902716672 0.08333333333333 0.05616726670173 144.242 > 85 86 Nd 0.36252902716672 0.41666666666667 0.05616726670173 144.242 > 85 87 Nd 0.36252902716672 0.75000000000000 0.05616726670173 144.242 > 85 88 Nd 0.63747097283328 0.25000000000000 0.94383273329827 144.242 > 88 89 Nd 0.63747097283328 0.58333333333333 0.94383273329827 144.242 > 88 90 Nd 0.63747097283328 0.91666666666667 0.94383273329827 144.242 > 88 91 Nd 0.86252902716672 0.08333333333333 0.44383273329827 144.242 > 91 92 Nd 0.86252902716672 0.41666666666667 0.44383273329827 144.242 > 91 93 Nd 0.86252902716672 0.75000000000000 0.44383273329827 144.242 > 91 94 Nd 0.13747097283328 0.25000000000000 0.55616726670173 144.242 > 94 95 Nd 0.13747097283328 0.58333333333333 0.55616726670173 144.242 > 94 96 Nd 0.13747097283328 0.91666666666667 0.55616726670173 144.242 > 94----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.4979446 0.0000000 0.0000000 0.0000000 4.7135669 0.0000000 0.0000000 0.0000000 4.6168376-------------------------- Born effective charges -------------------------- 1 O -3.6993072 0.0000000 0.8251087 0.0000000 -1.8508646 0.0000000 0.9461805 0.0000000 -1.2604038 2 O -3.6993072 0.0000000 0.8251087 0.0000000 -1.8508646 0.0000000 0.9461805 0.0000000 -1.2604038 3 O -3.6993072 0.0000000 -0.8251087 0.0000000 -1.8508646 0.0000000 -0.9461805 0.0000000 -1.2604038 4 O -3.6993072 0.0000000 -0.8251087 0.0000000 -1.8508646 0.0000000 -0.9461805 0.0000000 -1.2604038 5 O -2.3124259 0.0000000 -0.3070289 0.0000000 -2.5192856 0.0000000 -0.3693641 0.0000000 -3.0782095 6 O -2.3124259 0.0000000 -0.3070289 0.0000000 -2.5192856 0.0000000 -0.3693641 0.0000000 -3.0782095 7 O -2.3124259 0.0000000 0.3070289 0.0000000 -2.5192856 0.0000000 0.3693641 0.0000000 -3.0782095 8 O -2.3124259 0.0000000 0.3070289 0.0000000 -2.5192856 0.0000000 0.3693641 0.0000000 -3.0782095 9 O -1.5619542 0.0000000 -0.0368510 0.0000000 -4.1358125 0.0000000 0.1293552 0.0000000 -1.8012264 10 O -1.5619542 0.0000000 -0.0368510 0.0000000 -4.1358125 0.0000000 0.1293552 0.0000000 -1.8012264 11 O -1.5619542 0.0000000 0.0368510 0.0000000 -4.1358125 0.0000000 -0.1293552 0.0000000 -1.8012264 12 O -1.5619542 0.0000000 0.0368510 0.0000000 -4.1358125 0.0000000 -0.1293552 0.0000000 -1.8012264 13 O -2.5756334 0.0000000 0.1182819 0.0000000 -2.4800836 0.0000000 0.4551230 0.0000000 -2.6412741 14 O -2.5756334 0.0000000 0.1182819 0.0000000 -2.4800836 0.0000000 0.4551230 0.0000000 -2.6412741 15 O -2.5756334 0.0000000 -0.1182819 0.0000000 -2.4800836 0.0000000 -0.4551230 0.0000000 -2.6412741 16 O -2.5756334 0.0000000 -0.1182819 0.0000000 -2.4800836 0.0000000 -0.4551230 0.0000000 -2.6412741 17 O -1.8346182 0.0000000 0.0892965 0.0000000 -2.3136757 0.0000000 0.2397231 0.0000000 -3.7972507 18 O -1.8346182 0.0000000 0.0892965 0.0000000 -2.3136757 0.0000000 0.2397231 0.0000000 -3.7972507 19 O -1.8346182 0.0000000 -0.0892965 0.0000000 -2.3136757 0.0000000 -0.2397231 0.0000000 -3.7972507 20 O -1.8346182 0.0000000 -0.0892965 0.0000000 -2.3136757 0.0000000 -0.2397231 0.0000000 -3.7972507 21 Ti 3.5406357 0.0000000 -0.1634551 0.0000000 5.2073868 0.0000000 -0.4867272 0.0000000 4.6453872 22 Ti 3.5406357 0.0000000 -0.1634551 0.0000000 5.2073868 0.0000000 -0.4867272 0.0000000 4.6453872 23 Ti 3.5406357 0.0000000 0.1634551 0.0000000 5.2073868 0.0000000 0.4867272 0.0000000 4.6453872 24 Ti 3.5406357 0.0000000 0.1634551 0.0000000 5.2073868 0.0000000 0.4867272 0.0000000 4.6453872 25 Nd 4.5049105 0.0000000 -0.1021996 0.0000000 4.0314974 0.0000000 -0.4749113 0.0000000 4.1680686 26 Nd 4.5049105 0.0000000 -0.1021996 0.0000000 4.0314974 0.0000000 -0.4749113 0.0000000 4.1680686 27 Nd 4.5049105 0.0000000 0.1021996 0.0000000 4.0314974 0.0000000 0.4749113 0.0000000 4.1680686 28 Nd 4.5049105 0.0000000 0.1021996 0.0000000 4.0314974 0.0000000 0.4749113 0.0000000 4.1680686 29 Nd 3.9383927 0.0000000 -0.3374233 0.0000000 4.0608378 0.0000000 0.0554527 0.0000000 3.7649086 30 Nd 3.9383927 0.0000000 -0.3374233 0.0000000 4.0608378 0.0000000 0.0554527 0.0000000 3.7649086 31 Nd 3.9383927 0.0000000 0.3374233 0.0000000 4.0608378 0.0000000 -0.0554527 0.0000000 3.7649086 32 Nd 3.9383927 0.0000000 0.3374233 0.0000000 4.0608378 0.0000000 -0.0554527 0.0000000 3.7649086----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 13, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 61, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 85, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (zxx) -0.00000000 (zxx) -0.00000000 (zxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 03:55:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 03:55:41]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 10.690509509999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.813863970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.419161800000001Atomic positions (fractional): 1 O 0.47913988837858 0.25000000000000 0.34058856764827 15.999 2 O 0.52086011162142 0.75000000000000 0.65941143235173 15.999 3 O 0.97913988837858 0.25000000000000 0.15941143235173 15.999 4 O 0.02086011162142 0.75000000000000 0.84058856764827 15.999 5 O 0.23353370989187 0.25000000000000 0.22912063166465 15.999 6 O 0.76646629010813 0.75000000000000 0.77087936833535 15.999 7 O 0.73353370989187 0.25000000000000 0.27087936833535 15.999 8 O 0.26646629010813 0.75000000000000 0.72912063166465 15.999 9 O 0.26270501176348 0.75000000000000 0.37882186385196 15.999 10 O 0.73729498823652 0.25000000000000 0.62117813614803 15.999 11 O 0.76270501176348 0.75000000000000 0.12117813614804 15.999 12 O 0.23729498823652 0.25000000000000 0.87882186385197 15.999 13 O 0.00886881437327 0.25000000000000 0.60349070537340 15.999 14 O 0.99113118562673 0.75000000000000 0.39650929462660 15.999 15 O 0.50886881437327 0.25000000000000 0.89650929462660 15.999 16 O 0.49113118562673 0.75000000000000 0.10349070537340 15.999 17 O 0.27697962998677 0.25000000000000 0.53685394055694 15.999 18 O 0.72302037001323 0.75000000000000 0.46314605944306 15.999 19 O 0.77697962998677 0.25000000000000 0.96314605944306 15.999 20 O 0.22302037001323 0.75000000000000 0.03685394055694 15.999 21 Ti 0.31726692537388 0.25000000000000 0.37602631730218 47.867 22 Ti 0.68273307462612 0.75000000000000 0.62397368269782 47.867 23 Ti 0.81726692537388 0.25000000000000 0.12397368269782 47.867 24 Ti 0.18273307462612 0.75000000000000 0.87602631730218 47.867 25 Nd 0.10598410973811 0.75000000000000 0.22054875727909 144.242 26 Nd 0.89401589026189 0.25000000000000 0.77945124272091 144.242 27 Nd 0.60598410973811 0.75000000000000 0.27945124272091 144.242 28 Nd 0.39401589026189 0.25000000000000 0.72054875727909 144.242 29 Nd 0.36252902716672 0.25000000000000 0.05616726670173 144.242 30 Nd 0.63747097283328 0.75000000000000 0.94383273329827 144.242 31 Nd 0.86252902716672 0.25000000000000 0.44383273329827 144.242 32 Nd 0.13747097283328 0.75000000000000 0.55616726670173 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 10.690509509999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.441591910000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.419161800000001Atomic positions (fractional): 1 O 0.47913988837858 0.08333333333333 0.34058856764827 15.999 > 1 2 O 0.47913988837858 0.41666666666667 0.34058856764827 15.999 > 1 3 O 0.47913988837858 0.75000000000000 0.34058856764827 15.999 > 1 4 O 0.52086011162142 0.25000000000000 0.65941143235173 15.999 > 4 5 O 0.52086011162142 0.58333333333333 0.65941143235173 15.999 > 4 6 O 0.52086011162142 0.91666666666667 0.65941143235173 15.999 > 4 7 O 0.97913988837858 0.08333333333333 0.15941143235173 15.999 > 7 8 O 0.97913988837858 0.41666666666667 0.15941143235173 15.999 > 7 9 O 0.97913988837858 0.75000000000000 0.15941143235173 15.999 > 7 10 O 0.02086011162142 0.25000000000000 0.84058856764827 15.999 > 10 11 O 0.02086011162142 0.58333333333333 0.84058856764827 15.999 > 10 12 O 0.02086011162142 0.91666666666667 0.84058856764827 15.999 > 10 13 O 0.23353370989187 0.08333333333333 0.22912063166465 15.999 > 13 14 O 0.23353370989187 0.41666666666667 0.22912063166465 15.999 > 13 15 O 0.23353370989187 0.75000000000000 0.22912063166465 15.999 > 13 16 O 0.76646629010813 0.25000000000000 0.77087936833535 15.999 > 16 17 O 0.76646629010813 0.58333333333333 0.77087936833535 15.999 > 16 18 O 0.76646629010813 0.91666666666667 0.77087936833535 15.999 > 16 19 O 0.73353370989187 0.08333333333333 0.27087936833535 15.999 > 19 20 O 0.73353370989187 0.41666666666667 0.27087936833535 15.999 > 19 21 O 0.73353370989187 0.75000000000000 0.27087936833535 15.999 > 19 22 O 0.26646629010813 0.25000000000000 0.72912063166465 15.999 > 22 23 O 0.26646629010813 0.58333333333333 0.72912063166465 15.999 > 22 24 O 0.26646629010813 0.91666666666667 0.72912063166465 15.999 > 22 25 O 0.26270501176348 0.25000000000000 0.37882186385196 15.999 > 25 26 O 0.26270501176348 0.58333333333333 0.37882186385196 15.999 > 25 27 O 0.26270501176348 0.91666666666667 0.37882186385196 15.999 > 25 28 O 0.73729498823652 0.08333333333333 0.62117813614803 15.999 > 28 29 O 0.73729498823652 0.41666666666667 0.62117813614803 15.999 > 28 30 O 0.73729498823652 0.75000000000000 0.62117813614803 15.999 > 28 31 O 0.76270501176348 0.25000000000000 0.12117813614804 15.999 > 31 32 O 0.76270501176348 0.58333333333333 0.12117813614804 15.999 > 31 33 O 0.76270501176348 0.91666666666667 0.12117813614804 15.999 > 31 34 O 0.23729498823652 0.08333333333333 0.87882186385197 15.999 > 34 35 O 0.23729498823652 0.41666666666667 0.87882186385197 15.999 > 34 36 O 0.23729498823652 0.75000000000000 0.87882186385197 15.999 > 34 37 O 0.00886881437327 0.08333333333333 0.60349070537340 15.999 > 37 38 O 0.00886881437327 0.41666666666667 0.60349070537340 15.999 > 37 39 O 0.00886881437327 0.75000000000000 0.60349070537340 15.999 > 37 40 O 0.99113118562673 0.25000000000000 0.39650929462660 15.999 > 40 41 O 0.99113118562673 0.58333333333333 0.39650929462660 15.999 > 40 42 O 0.99113118562673 0.91666666666667 0.39650929462660 15.999 > 40 43 O 0.50886881437327 0.08333333333333 0.89650929462660 15.999 > 43 44 O 0.50886881437327 0.41666666666667 0.89650929462660 15.999 > 43 45 O 0.50886881437327 0.75000000000000 0.89650929462660 15.999 > 43 46 O 0.49113118562673 0.25000000000000 0.10349070537340 15.999 > 46 47 O 0.49113118562673 0.58333333333333 0.10349070537340 15.999 > 46 48 O 0.49113118562673 0.91666666666667 0.10349070537340 15.999 > 46 49 O 0.27697962998677 0.08333333333333 0.53685394055694 15.999 > 49 50 O 0.27697962998677 0.41666666666667 0.53685394055694 15.999 > 49 51 O 0.27697962998677 0.75000000000000 0.53685394055694 15.999 > 49 52 O 0.72302037001323 0.25000000000000 0.46314605944306 15.999 > 52 53 O 0.72302037001323 0.58333333333333 0.46314605944306 15.999 > 52 54 O 0.72302037001323 0.91666666666667 0.46314605944306 15.999 > 52 55 O 0.77697962998677 0.08333333333333 0.96314605944306 15.999 > 55 56 O 0.77697962998677 0.41666666666667 0.96314605944306 15.999 > 55 57 O 0.77697962998677 0.75000000000000 0.96314605944306 15.999 > 55 58 O 0.22302037001323 0.25000000000000 0.03685394055694 15.999 > 58 59 O 0.22302037001323 0.58333333333333 0.03685394055694 15.999 > 58 60 O 0.22302037001323 0.91666666666667 0.03685394055694 15.999 > 58 61 Ti 0.31726692537388 0.08333333333333 0.37602631730218 47.867 > 61 62 Ti 0.31726692537388 0.41666666666667 0.37602631730218 47.867 > 61 63 Ti 0.31726692537388 0.75000000000000 0.37602631730218 47.867 > 61 64 Ti 0.68273307462612 0.25000000000000 0.62397368269782 47.867 > 64 65 Ti 0.68273307462612 0.58333333333333 0.62397368269782 47.867 > 64 66 Ti 0.68273307462612 0.91666666666667 0.62397368269782 47.867 > 64 67 Ti 0.81726692537388 0.08333333333333 0.12397368269782 47.867 > 67 68 Ti 0.81726692537388 0.41666666666667 0.12397368269782 47.867 > 67 69 Ti 0.81726692537388 0.75000000000000 0.12397368269782 47.867 > 67 70 Ti 0.18273307462612 0.25000000000000 0.87602631730218 47.867 > 70 71 Ti 0.18273307462612 0.58333333333333 0.87602631730218 47.867 > 70 72 Ti 0.18273307462612 0.91666666666667 0.87602631730218 47.867 > 70 73 Nd 0.10598410973811 0.25000000000000 0.22054875727909 144.242 > 73 74 Nd 0.10598410973811 0.58333333333333 0.22054875727909 144.242 > 73 75 Nd 0.10598410973811 0.91666666666667 0.22054875727909 144.242 > 73 76 Nd 0.89401589026189 0.08333333333333 0.77945124272091 144.242 > 76 77 Nd 0.89401589026189 0.41666666666667 0.77945124272091 144.242 > 76 78 Nd 0.89401589026189 0.75000000000000 0.77945124272091 144.242 > 76 79 Nd 0.60598410973811 0.25000000000000 0.27945124272091 144.242 > 79 80 Nd 0.60598410973811 0.58333333333333 0.27945124272091 144.242 > 79 81 Nd 0.60598410973811 0.91666666666667 0.27945124272091 144.242 > 79 82 Nd 0.39401589026189 0.08333333333333 0.72054875727909 144.242 > 82 83 Nd 0.39401589026189 0.41666666666667 0.72054875727909 144.242 > 82 84 Nd 0.39401589026189 0.75000000000000 0.72054875727909 144.242 > 82 85 Nd 0.36252902716672 0.08333333333333 0.05616726670173 144.242 > 85 86 Nd 0.36252902716672 0.41666666666667 0.05616726670173 144.242 > 85 87 Nd 0.36252902716672 0.75000000000000 0.05616726670173 144.242 > 85 88 Nd 0.63747097283328 0.25000000000000 0.94383273329827 144.242 > 88 89 Nd 0.63747097283328 0.58333333333333 0.94383273329827 144.242 > 88 90 Nd 0.63747097283328 0.91666666666667 0.94383273329827 144.242 > 88 91 Nd 0.86252902716672 0.08333333333333 0.44383273329827 144.242 > 91 92 Nd 0.86252902716672 0.41666666666667 0.44383273329827 144.242 > 91 93 Nd 0.86252902716672 0.75000000000000 0.44383273329827 144.242 > 91 94 Nd 0.13747097283328 0.25000000000000 0.55616726670173 144.242 > 94 95 Nd 0.13747097283328 0.58333333333333 0.55616726670173 144.242 > 94 96 Nd 0.13747097283328 0.91666666666667 0.55616726670173 144.242 > 94----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.4979446 0.0000000 0.0000000 0.0000000 4.7135669 0.0000000 0.0000000 0.0000000 4.6168376-------------------------- Born effective charges -------------------------- 1 O -3.6993072 0.0000000 0.8251087 0.0000000 -1.8508646 0.0000000 0.9461805 0.0000000 -1.2604038 2 O -3.6993072 0.0000000 0.8251087 0.0000000 -1.8508646 0.0000000 0.9461805 0.0000000 -1.2604038 3 O -3.6993072 0.0000000 -0.8251087 0.0000000 -1.8508646 0.0000000 -0.9461805 0.0000000 -1.2604038 4 O -3.6993072 0.0000000 -0.8251087 0.0000000 -1.8508646 0.0000000 -0.9461805 0.0000000 -1.2604038 5 O -2.3124259 0.0000000 -0.3070289 0.0000000 -2.5192856 0.0000000 -0.3693641 0.0000000 -3.0782095 6 O -2.3124259 0.0000000 -0.3070289 0.0000000 -2.5192856 0.0000000 -0.3693641 0.0000000 -3.0782095 7 O -2.3124259 0.0000000 0.3070289 0.0000000 -2.5192856 0.0000000 0.3693641 0.0000000 -3.0782095 8 O -2.3124259 0.0000000 0.3070289 0.0000000 -2.5192856 0.0000000 0.3693641 0.0000000 -3.0782095 9 O -1.5619542 0.0000000 -0.0368510 0.0000000 -4.1358125 0.0000000 0.1293552 0.0000000 -1.8012264 10 O -1.5619542 0.0000000 -0.0368510 0.0000000 -4.1358125 0.0000000 0.1293552 0.0000000 -1.8012264 11 O -1.5619542 0.0000000 0.0368510 0.0000000 -4.1358125 0.0000000 -0.1293552 0.0000000 -1.8012264 12 O -1.5619542 0.0000000 0.0368510 0.0000000 -4.1358125 0.0000000 -0.1293552 0.0000000 -1.8012264 13 O -2.5756334 0.0000000 0.1182819 0.0000000 -2.4800836 0.0000000 0.4551230 0.0000000 -2.6412741 14 O -2.5756334 0.0000000 0.1182819 0.0000000 -2.4800836 0.0000000 0.4551230 0.0000000 -2.6412741 15 O -2.5756334 0.0000000 -0.1182819 0.0000000 -2.4800836 0.0000000 -0.4551230 0.0000000 -2.6412741 16 O -2.5756334 0.0000000 -0.1182819 0.0000000 -2.4800836 0.0000000 -0.4551230 0.0000000 -2.6412741 17 O -1.8346182 0.0000000 0.0892965 0.0000000 -2.3136757 0.0000000 0.2397231 0.0000000 -3.7972507 18 O -1.8346182 0.0000000 0.0892965 0.0000000 -2.3136757 0.0000000 0.2397231 0.0000000 -3.7972507 19 O -1.8346182 0.0000000 -0.0892965 0.0000000 -2.3136757 0.0000000 -0.2397231 0.0000000 -3.7972507 20 O -1.8346182 0.0000000 -0.0892965 0.0000000 -2.3136757 0.0000000 -0.2397231 0.0000000 -3.7972507 21 Ti 3.5406357 0.0000000 -0.1634551 0.0000000 5.2073868 0.0000000 -0.4867272 0.0000000 4.6453872 22 Ti 3.5406357 0.0000000 -0.1634551 0.0000000 5.2073868 0.0000000 -0.4867272 0.0000000 4.6453872 23 Ti 3.5406357 0.0000000 0.1634551 0.0000000 5.2073868 0.0000000 0.4867272 0.0000000 4.6453872 24 Ti 3.5406357 0.0000000 0.1634551 0.0000000 5.2073868 0.0000000 0.4867272 0.0000000 4.6453872 25 Nd 4.5049105 0.0000000 -0.1021996 0.0000000 4.0314974 0.0000000 -0.4749113 0.0000000 4.1680686 26 Nd 4.5049105 0.0000000 -0.1021996 0.0000000 4.0314974 0.0000000 -0.4749113 0.0000000 4.1680686 27 Nd 4.5049105 0.0000000 0.1021996 0.0000000 4.0314974 0.0000000 0.4749113 0.0000000 4.1680686 28 Nd 4.5049105 0.0000000 0.1021996 0.0000000 4.0314974 0.0000000 0.4749113 0.0000000 4.1680686 29 Nd 3.9383927 0.0000000 -0.3374233 0.0000000 4.0608378 0.0000000 0.0554527 0.0000000 3.7649086 30 Nd 3.9383927 0.0000000 -0.3374233 0.0000000 4.0608378 0.0000000 0.0554527 0.0000000 3.7649086 31 Nd 3.9383927 0.0000000 0.3374233 0.0000000 4.0608378 0.0000000 -0.0554527 0.0000000 3.7649086 32 Nd 3.9383927 0.0000000 0.3374233 0.0000000 4.0608378 0.0000000 -0.0554527 0.0000000 3.7649086----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (zxx) -0.00000000 (zxx) -0.00000000 (zxx)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 5 13 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: 0.54, Number of G-points: 287, Lambda: 0.12Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/63) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 1.889 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.151 ( 0.000 0.000 0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 4.056 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.353 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 6.220 ( 0.000 0.000 0.000) 0.000 6.549 ( 0.000 0.000 0.000) 0.000 6.885 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 7.015 ( 0.000 0.000 0.000) 0.000 7.148 ( 0.000 0.000 0.000) 0.000 7.284 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 7.776 ( 0.000 0.000 0.000) 0.000 8.198 ( 0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 0.000) 0.000 8.331 ( 0.000 0.000 0.000) 0.000 8.420 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.884 ( 0.000 0.000 0.000) 0.000 9.097 ( 0.000 0.000 0.000) 0.000 9.168 ( 0.000 0.000 0.000) 0.000 9.367 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 9.535 ( 0.000 0.000 0.000) 0.000 9.707 ( 0.000 0.000 0.000) 0.000 9.800 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 10.365 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 10.869 ( 0.000 0.000 0.000) 0.000 10.949 ( 0.000 0.000 0.000) 0.000 11.128 ( 0.000 0.000 0.000) 0.000 11.292 ( 0.000 0.000 0.000) 0.000 11.635 ( 0.000 0.000 0.000) 0.000 11.683 ( 0.000 0.000 0.000) 0.000 12.529 ( 0.000 0.000 0.000) 0.000 12.590 ( 0.000 0.000 0.000) 0.000 13.004 ( 0.000 0.000 0.000) 0.000 13.007 ( 0.000 0.000 0.000) 0.000 13.040 ( 0.000 0.000 0.000) 0.000 13.226 ( 0.000 0.000 0.000) 0.000 13.299 ( 0.000 0.000 0.000) 0.000 13.303 ( 0.000 0.000 0.000) 0.000 13.314 ( 0.000 0.000 0.000) 0.000 13.499 ( 0.000 0.000 0.000) 0.000 13.947 ( 0.000 0.000 0.000) 0.000 14.470 ( 0.000 0.000 0.000) 0.000 14.647 ( 0.000 0.000 0.000) 0.000 14.720 ( 0.000 0.000 0.000) 0.000 15.409 ( 0.000 0.000 0.000) 0.000 16.322 ( 0.000 0.000 0.000) 0.000 16.340 ( 0.000 0.000 0.000) 0.000 16.517 ( 0.000 0.000 0.000) 0.000 16.529 ( 0.000 0.000 0.000) 0.000 16.539 ( 0.000 0.000 0.000) 0.000 16.577 ( 0.000 0.000 0.000) 0.000 18.147 ( 0.000 0.000 0.000) 0.000 19.400 ( 0.000 0.000 0.000) 0.000 19.465 ( 0.000 0.000 0.000) 0.000 20.104 ( 0.000 0.000 0.000) 0.000 20.492 ( 0.000 0.000 0.000) 0.000 20.790 ( 0.000 0.000 0.000) 0.000 23.416 ( 0.000 0.000 0.000) 0.000 24.062 ( 0.000 0.000 0.000) 0.000 24.552 ( 0.000 0.000 0.000) 0.000 25.118 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/63) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.575 ( 30.717 0.000 0.000) 30.717 0.625 ( 33.090 0.000 0.000) 33.090 1.002 ( 53.098 0.000 0.000) 53.098 1.893 ( 0.821 0.000 0.000) 0.821 2.066 ( -9.609 0.000 0.000) 9.609 2.192 ( -8.457 0.000 0.000) 8.457 2.268 ( -21.079 0.000 0.000) 21.079 2.519 ( 4.101 0.000 0.000) 4.101 2.622 ( -6.244 0.000 0.000) 6.244 2.656 ( 3.063 0.000 0.000) 3.063 2.744 ( -11.862 0.000 0.000) 11.862 2.996 ( -5.479 0.000 0.000) 5.479 3.111 ( -8.529 0.000 0.000) 8.529 3.221 ( 6.215 0.000 0.000) 6.215 3.312 ( -6.733 0.000 0.000) 6.733 3.407 ( 7.466 0.000 0.000) 7.466 3.411 ( 6.434 0.000 0.000) 6.434 3.522 ( 17.530 0.000 0.000) 17.530 3.977 ( 5.476 0.000 0.000) 5.476 4.124 ( -25.285 0.000 0.000) 25.285 4.229 ( 14.378 0.000 0.000) 14.378 4.315 ( 5.038 0.000 0.000) 5.038 4.382 ( 3.216 0.000 0.000) 3.216 4.590 ( -2.583 0.000 0.000) 2.583 4.606 ( -2.880 0.000 0.000) 2.880 4.706 ( -3.780 0.000 0.000) 3.780 4.790 ( 5.742 0.000 0.000) 5.742 5.081 ( 0.951 0.000 0.000) 0.951 5.489 ( -14.689 0.000 0.000) 14.689 5.561 ( -8.053 0.000 0.000) 8.053 6.014 ( 10.778 0.000 0.000) 10.778 6.185 ( -2.231 0.000 0.000) 2.231 6.640 ( 8.388 0.000 0.000) 8.388 6.972 ( 2.156 0.000 0.000) 2.156 7.026 ( -1.208 0.000 0.000) 1.208 7.187 ( 6.389 0.000 0.000) 6.389 7.354 ( 6.487 0.000 0.000) 6.487 7.362 ( -11.086 0.000 0.000) 11.086 7.516 ( 6.194 0.000 0.000) 6.194 7.630 ( -0.037 0.000 0.000) 0.037 8.047 ( 8.164 0.000 0.000) 8.164 8.206 ( 0.838 0.000 0.000) 0.838 8.222 ( -8.422 0.000 0.000) 8.422 8.303 ( -2.250 0.000 0.000) 2.250 8.503 ( 4.725 0.000 0.000) 4.725 8.837 ( -4.585 0.000 0.000) 4.585 9.128 ( -4.660 0.000 0.000) 4.660 9.132 ( 3.379 0.000 0.000) 3.379 9.339 ( -13.205 0.000 0.000) 13.205 9.427 ( -5.420 0.000 0.000) 5.420 9.446 ( 9.206 0.000 0.000) 9.206 9.583 ( 2.757 0.000 0.000) 2.757 9.699 ( -0.880 0.000 0.000) 0.880 9.807 ( 0.701 0.000 0.000) 0.701 9.834 ( 0.375 0.000 0.000) 0.375 10.035 ( 4.960 0.000 0.000) 4.960 10.378 ( 1.411 0.000 0.000) 1.411 10.390 ( -12.194 0.000 0.000) 12.194 10.483 ( -1.124 0.000 0.000) 1.124 10.932 ( 6.104 0.000 0.000) 6.104 10.984 ( -13.454 0.000 0.000) 13.454 11.108 ( 11.968 0.000 0.000) 11.968 11.281 ( -1.635 0.000 0.000) 1.635 11.667 ( -3.604 0.000 0.000) 3.604 12.535 ( 0.611 0.000 0.000) 0.611 12.584 ( -0.598 0.000 0.000) 0.598 12.756 ( 0.012 0.000 0.000) 0.012 12.891 ( -4.629 0.000 0.000) 4.629 13.021 ( 1.499 0.000 0.000) 1.499 13.104 ( -0.112 0.000 0.000) 0.112 13.262 ( 3.388 0.000 0.000) 3.388 13.304 ( 0.115 0.000 0.000) 0.115 13.313 ( -0.093 0.000 0.000) 0.093 13.333 ( 2.345 0.000 0.000) 2.345 13.632 ( 13.934 0.000 0.000) 13.934 14.176 ( -1.410 0.000 0.000) 1.410 14.494 ( 2.743 0.000 0.000) 2.743 14.689 ( 4.227 0.000 0.000) 4.227 14.714 ( -0.741 0.000 0.000) 0.741 15.304 ( -10.831 0.000 0.000) 10.831 16.324 ( 0.167 0.000 0.000) 0.167 16.338 ( -0.184 0.000 0.000) 0.184 16.519 ( 0.233 0.000 0.000) 0.233 16.533 ( 0.393 0.000 0.000) 0.393 16.537 ( -0.209 0.000 0.000) 0.209 16.569 ( -0.735 0.000 0.000) 0.735 19.430 ( 3.759 0.000 0.000) 3.759 19.495 ( 3.002 0.000 0.000) 3.002 19.586 ( 2.424 0.000 0.000) 2.424 20.054 ( -6.248 0.000 0.000) 6.248 20.408 ( -6.688 0.000 0.000) 6.688 20.752 ( -13.748 0.000 0.000) 13.748 23.582 ( 15.703 0.000 0.000) 15.703 24.456 ( -9.232 0.000 0.000) 9.232 25.222 ( 9.567 0.000 0.000) 9.567 25.693 ( -3.725 0.000 0.000) 3.725======================= Grid point 2 (3/63) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( 29.776 0.000 0.000) 29.776 1.232 ( 31.576 0.000 0.000) 31.576 1.658 ( -21.025 0.000 0.000) 21.025 1.796 ( -28.345 0.000 0.000) 28.345 1.906 ( 19.530 0.000 0.000) 19.530 1.931 ( 3.186 0.000 0.000) 3.186 2.195 ( 18.906 0.000 0.000) 18.906 2.516 ( -4.750 0.000 0.000) 4.750 2.596 ( -1.894 0.000 0.000) 1.894 2.621 ( 6.147 0.000 0.000) 6.147 2.698 ( -0.228 0.000 0.000) 0.228 2.904 ( -2.001 0.000 0.000) 2.001 2.963 ( -6.701 0.000 0.000) 6.701 2.976 ( -32.215 0.000 0.000) 32.215 3.364 ( 9.334 0.000 0.000) 9.334 3.502 ( 2.944 0.000 0.000) 2.944 3.508 ( 2.585 0.000 0.000) 2.585 3.602 ( -18.786 0.000 0.000) 18.786 3.855 ( 16.163 0.000 0.000) 16.163 4.059 ( -4.083 0.000 0.000) 4.083 4.425 ( 6.010 0.000 0.000) 6.010 4.476 ( 6.649 0.000 0.000) 6.649 4.530 ( -5.044 0.000 0.000) 5.044 4.566 ( 19.635 0.000 0.000) 19.635 4.607 ( -6.590 0.000 0.000) 6.590 4.669 ( 9.151 0.000 0.000) 9.151 4.849 ( -2.616 0.000 0.000) 2.616 4.934 ( -14.781 0.000 0.000) 14.781 5.292 ( -3.120 0.000 0.000) 3.120 5.381 ( -9.544 0.000 0.000) 9.544 6.154 ( 3.912 0.000 0.000) 3.912 6.174 ( 0.555 0.000 0.000) 0.555 6.810 ( 8.759 0.000 0.000) 8.759 6.951 ( -6.131 0.000 0.000) 6.131 7.032 ( 4.503 0.000 0.000) 4.503 7.156 ( -8.905 0.000 0.000) 8.905 7.403 ( 13.280 0.000 0.000) 13.280 7.480 ( 5.972 0.000 0.000) 5.972 7.594 ( -3.442 0.000 0.000) 3.442 7.605 ( -1.445 0.000 0.000) 1.445 8.093 ( -1.239 0.000 0.000) 1.239 8.137 ( -0.384 0.000 0.000) 0.384 8.228 ( 1.524 0.000 0.000) 1.524 8.262 ( -2.036 0.000 0.000) 2.036 8.609 ( 6.329 0.000 0.000) 6.329 8.730 ( -6.417 0.000 0.000) 6.417 9.040 ( -2.900 0.000 0.000) 2.900 9.092 ( -9.618 0.000 0.000) 9.618 9.213 ( 5.155 0.000 0.000) 5.155 9.319 ( -5.936 0.000 0.000) 5.936 9.631 ( 2.410 0.000 0.000) 2.410 9.673 ( -1.924 0.000 0.000) 1.924 9.686 ( 15.324 0.000 0.000) 15.324 9.824 ( 0.957 0.000 0.000) 0.957 9.836 ( -0.290 0.000 0.000) 0.290 9.976 ( -13.682 0.000 0.000) 13.682 10.372 ( 12.690 0.000 0.000) 12.690 10.413 ( 2.146 0.000 0.000) 2.146 10.453 ( -1.964 0.000 0.000) 1.964 10.681 ( -17.761 0.000 0.000) 17.761 11.071 ( 7.932 0.000 0.000) 7.932 11.204 ( -5.460 0.000 0.000) 5.460 11.335 ( 10.881 0.000 0.000) 10.881 11.533 ( -9.756 0.000 0.000) 9.756 12.550 ( 0.980 0.000 0.000) 0.980 12.569 ( -0.972 0.000 0.000) 0.972 12.776 ( 2.262 0.000 0.000) 2.262 12.829 ( -2.943 0.000 0.000) 2.943 13.051 ( 1.504 0.000 0.000) 1.504 13.078 ( -1.588 0.000 0.000) 1.588 13.307 ( 0.176 0.000 0.000) 0.176 13.310 ( -0.162 0.000 0.000) 0.162 13.328 ( 2.929 0.000 0.000) 2.929 13.356 ( -0.022 0.000 0.000) 0.022 13.928 ( 14.666 0.000 0.000) 14.666 14.117 ( -5.716 0.000 0.000) 5.716 14.581 ( 6.226 0.000 0.000) 6.226 14.680 ( -3.434 0.000 0.000) 3.434 14.805 ( 8.807 0.000 0.000) 8.807 15.042 ( -15.455 0.000 0.000) 15.455 16.328 ( 0.279 0.000 0.000) 0.279 16.334 ( -0.290 0.000 0.000) 0.290 16.525 ( 0.365 0.000 0.000) 0.365 16.532 ( -0.350 0.000 0.000) 0.350 16.541 ( 0.471 0.000 0.000) 0.471 16.553 ( -0.837 0.000 0.000) 0.837 19.543 ( 6.198 0.000 0.000) 6.198 19.557 ( 2.753 0.000 0.000) 2.753 19.642 ( 5.152 0.000 0.000) 5.152 19.851 ( -14.001 0.000 0.000) 14.001 20.352 ( 2.116 0.000 0.000) 2.116 20.490 ( -12.049 0.000 0.000) 12.049 23.918 ( 18.400 0.000 0.000) 18.400 24.231 ( -14.612 0.000 0.000) 14.612 25.418 ( 10.382 0.000 0.000) 10.382 25.588 ( -7.467 0.000 0.000) 7.467======================= Grid point 5 (4/63) =======================q-point: ( 0.00 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.710 ( 0.000 35.016 0.000) 35.016 0.735 ( 0.000 35.606 0.000) 35.606 1.226 ( 0.000 58.287 0.000) 58.287 1.883 ( 0.000 1.185 0.000) 1.185 2.233 ( 0.000 12.163 0.000) 12.163 2.391 ( 0.000 5.384 0.000) 5.384 2.444 ( 0.000 -3.632 0.000) 3.632 2.602 ( 0.000 8.195 0.000) 8.195 2.702 ( 0.000 3.018 0.000) 3.018 2.802 ( 0.000 15.262 0.000) 15.262 3.015 ( 0.000 8.735 0.000) 8.735 3.044 ( 0.000 -9.625 0.000) 9.625 3.044 ( 0.000 -3.585 0.000) 3.585 3.140 ( 0.000 7.394 0.000) 7.394 3.309 ( 0.000 2.817 0.000) 2.817 3.385 ( 0.000 12.310 0.000) 12.310 3.504 ( 0.000 13.811 0.000) 13.811 3.658 ( 0.000 13.369 0.000) 13.369 3.907 ( 0.000 4.390 0.000) 4.390 4.121 ( 0.000 -5.326 0.000) 5.326 4.182 ( 0.000 11.765 0.000) 11.765 4.644 ( 0.000 8.202 0.000) 8.202 4.727 ( 0.000 31.391 0.000) 31.391 4.728 ( 0.000 0.349 0.000) 0.349 4.978 ( 0.000 1.921 0.000) 1.921 5.029 ( 0.000 30.721 0.000) 30.721 5.090 ( 0.000 30.820 0.000) 30.820 5.117 ( 0.000 26.708 0.000) 26.708 5.580 ( 0.000 -0.412 0.000) 0.412 5.697 ( 0.000 7.225 0.000) 7.225 5.793 ( 0.000 2.621 0.000) 2.621 6.211 ( 0.000 0.474 0.000) 0.474 6.573 ( 0.000 2.214 0.000) 2.214 6.881 ( 0.000 -0.177 0.000) 0.177 6.955 ( 0.000 0.111 0.000) 0.111 7.018 ( 0.000 -0.211 0.000) 0.211 7.193 ( 0.000 4.770 0.000) 4.770 7.322 ( 0.000 4.049 0.000) 4.049 7.406 ( 0.000 -4.265 0.000) 4.265 7.586 ( 0.000 -0.551 0.000) 0.551 7.725 ( 0.000 -5.055 0.000) 5.055 8.213 ( 0.000 -2.776 0.000) 2.776 8.333 ( 0.000 -4.490 0.000) 4.490 8.551 ( 0.000 13.967 0.000) 13.967 8.667 ( 0.000 15.082 0.000) 15.082 8.790 ( 0.000 4.032 0.000) 4.032 9.078 ( 0.000 -4.894 0.000) 4.894 9.086 ( 0.000 11.784 0.000) 11.784 9.436 ( 0.000 9.075 0.000) 9.075 9.517 ( 0.000 1.251 0.000) 1.251 9.572 ( 0.000 -7.432 0.000) 7.432 9.646 ( 0.000 8.084 0.000) 8.084 9.731 ( 0.000 -2.535 0.000) 2.535 9.861 ( 0.000 -0.887 0.000) 0.887 9.870 ( 0.000 4.764 0.000) 4.764 10.347 ( 0.000 0.007 0.000) 0.007 10.398 ( 0.000 4.861 0.000) 4.861 10.756 ( 0.000 18.270 0.000) 18.270 10.890 ( 0.000 1.955 0.000) 1.955 10.948 ( 0.000 -0.926 0.000) 0.926 11.100 ( 0.000 -3.265 0.000) 3.265 11.337 ( 0.000 4.616 0.000) 4.616 11.586 ( 0.000 -5.208 0.000) 5.208 11.808 ( 0.000 10.888 0.000) 10.888 12.286 ( 0.000 -19.729 0.000) 19.729 12.334 ( 0.000 -19.657 0.000) 19.657 12.533 ( 0.000 -30.578 0.000) 30.578 12.691 ( 0.000 -32.335 0.000) 32.335 12.961 ( 0.000 -4.367 0.000) 4.367 13.041 ( 0.000 -2.438 0.000) 2.438 13.055 ( 0.000 1.228 0.000) 1.228 13.422 ( 0.000 8.238 0.000) 8.238 13.586 ( 0.000 7.962 0.000) 7.962 13.732 ( 0.000 16.869 0.000) 16.869 14.169 ( 0.000 18.199 0.000) 18.199 14.572 ( 0.000 9.223 0.000) 9.223 14.683 ( 0.000 3.350 0.000) 3.350 14.751 ( 0.000 2.503 0.000) 2.503 15.366 ( 0.000 -4.194 0.000) 4.194 15.522 ( 0.000 0.033 0.000) 0.033 16.244 ( 0.000 -8.926 0.000) 8.926 16.386 ( 0.000 -11.439 0.000) 11.439 16.416 ( 0.000 -11.223 0.000) 11.223 16.563 ( 0.000 3.423 0.000) 3.423 16.614 ( 0.000 3.465 0.000) 3.465 18.304 ( 0.000 13.713 0.000) 13.713 18.628 ( 0.000 -29.330 0.000) 29.330 19.570 ( 0.000 8.246 0.000) 8.246 19.766 ( 0.000 21.215 0.000) 21.215 20.203 ( 0.000 9.450 0.000) 9.450 20.451 ( 0.000 -2.944 0.000) 2.944 20.782 ( 0.000 -0.633 0.000) 0.633 23.408 ( 0.000 -0.849 0.000) 0.849 23.984 ( 0.000 -7.354 0.000) 7.354 24.454 ( 0.000 -9.356 0.000) 9.356 24.990 ( 0.000 -12.312 0.000) 12.312======================= Grid point 6 (5/63) =======================q-point: ( 0.20 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.876 ( 18.909 23.479 0.000) 30.147 0.924 ( 18.095 27.437 0.000) 32.867 1.580 ( 30.698 43.727 0.000) 53.427 1.901 ( 1.784 2.208 0.000) 2.839 2.167 ( -9.941 9.709 0.000) 13.896 2.229 ( -9.573 4.840 0.000) 10.727 2.378 ( -20.741 8.188 0.000) 22.298 2.521 ( 6.239 0.133 0.000) 6.240 2.679 ( -4.823 5.362 0.000) 7.212 2.788 ( 2.058 11.663 0.000) 11.843 2.804 ( -10.109 6.027 0.000) 11.769 2.904 ( -7.802 -4.207 0.000) 8.864 3.155 ( 2.595 7.039 0.000) 7.502 3.319 ( 7.886 6.109 0.000) 9.975 3.324 ( -1.907 9.551 0.000) 9.740 3.478 ( 9.546 3.933 0.000) 10.325 3.588 ( 9.824 7.997 0.000) 12.667 3.614 ( -3.168 11.796 0.000) 12.214 3.975 ( 0.271 -0.351 0.000) 0.443 4.015 ( -9.748 -0.218 0.000) 9.751 4.295 ( 10.403 8.058 0.000) 13.158 4.609 ( -10.957 7.991 0.000) 13.561 4.692 ( 0.696 16.230 0.000) 16.245 4.767 ( 2.707 0.540 0.000) 2.761 4.790 ( 3.835 31.330 0.000) 31.564 5.031 ( -4.015 31.239 0.000) 31.496 5.089 ( 0.277 31.432 0.000) 31.433 5.238 ( 5.103 19.339 0.000) 20.001 5.504 ( -9.453 3.783 0.000) 10.182 5.619 ( -8.039 7.634 0.000) 11.086 5.934 ( 11.181 -3.739 0.000) 11.790 6.157 ( -4.028 -1.662 0.000) 4.357 6.658 ( 7.750 1.826 0.000) 7.962 6.950 ( 1.350 -4.812 0.000) 4.998 6.978 ( 2.333 0.221 0.000) 2.344 7.111 ( 7.325 -6.612 0.000) 9.868 7.241 ( 6.391 5.101 0.000) 8.177 7.377 ( 5.137 2.815 0.000) 5.857 7.453 ( 4.649 -5.146 0.000) 6.935 7.532 ( -2.501 -1.023 0.000) 2.702 7.721 ( -0.491 -5.694 0.000) 5.716 8.123 ( -9.511 -3.549 0.000) 10.151 8.425 ( 7.528 -2.641 0.000) 7.978 8.542 ( 0.517 13.878 0.000) 13.888 8.694 ( 2.766 13.596 0.000) 13.875 8.837 ( 4.446 1.108 0.000) 4.582 9.060 ( -2.657 -2.255 0.000) 3.485 9.086 ( -0.295 11.681 0.000) 11.685 9.468 ( -3.705 3.206 0.000) 4.900 9.512 ( 5.086 7.270 0.000) 8.873 9.590 ( -0.883 -4.016 0.000) 4.112 9.639 ( -8.099 -6.239 0.000) 10.223 9.701 ( 7.606 10.262 0.000) 12.774 9.821 ( -3.505 5.384 0.000) 6.425 9.871 ( -0.013 4.462 0.000) 4.462 10.334 ( -0.647 -2.268 0.000) 2.358 10.378 ( -0.965 7.704 0.000) 7.765 10.541 ( -11.302 8.324 0.000) 14.037 10.956 ( -0.817 0.049 0.000) 0.819 10.987 ( -3.892 1.676 0.000) 4.237 11.105 ( -20.964 14.731 0.000) 25.622 11.166 ( 3.400 2.701 0.000) 4.342 11.473 ( -2.243 13.068 0.000) 13.259 11.797 ( -2.505 11.244 0.000) 11.520 12.273 ( -0.720 -21.787 0.000) 21.799 12.309 ( -2.180 -20.896 0.000) 21.009 12.602 ( 5.495 -30.620 0.000) 31.110 12.687 ( -0.371 -31.984 0.000) 31.987 12.935 ( -3.237 0.717 0.000) 3.315 12.983 ( 2.155 -4.092 0.000) 4.624 13.139 ( 0.782 -2.036 0.000) 2.181 13.281 ( -15.991 16.933 0.000) 23.290 13.719 ( 7.398 11.950 0.000) 14.054 13.773 ( 10.284 14.962 0.000) 18.156 14.038 ( -13.790 28.090 0.000) 31.293 14.587 ( 1.739 8.568 0.000) 8.743 14.720 ( 3.730 3.012 0.000) 4.795 14.736 ( -4.369 6.066 0.000) 7.476 14.877 ( -42.685 46.019 0.000) 62.768 15.268 ( -10.213 -3.421 0.000) 10.771 16.241 ( -0.228 -9.164 0.000) 9.167 16.355 ( -4.884 -9.536 0.000) 10.714 16.416 ( 0.038 -10.591 0.000) 10.591 16.544 ( -7.775 5.138 0.000) 9.320 16.612 ( -0.270 3.622 0.000) 3.632 16.644 ( -24.426 19.676 0.000) 31.366 19.329 ( 14.481 -10.586 0.000) 17.937 19.604 ( 3.398 8.411 0.000) 9.071 19.768 ( 0.706 17.684 0.000) 17.698 20.137 ( -8.314 7.568 0.000) 11.243 20.383 ( -4.619 -0.788 0.000) 4.686 20.717 ( -10.525 -2.172 0.000) 10.746 23.526 ( 14.308 -4.537 0.000) 15.010 24.363 ( -8.838 -8.890 0.000) 12.536 24.867 ( 40.330 -45.719 0.000) 60.965 25.075 ( 7.631 -13.965 0.000) 15.914======================= Grid point 7 (6/63) =======================q-point: ( 0.40 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( 24.294 17.212 0.000) 29.773 1.341 ( 28.147 9.945 0.000) 29.853 1.792 ( -23.329 11.336 0.000) 25.937 1.847 ( -20.352 4.511 0.000) 20.846 2.022 ( -3.136 7.549 0.000) 8.175 2.049 ( 3.526 11.731 0.000) 12.250 2.302 ( 22.773 13.054 0.000) 26.250 2.590 ( -4.474 8.366 0.000) 9.487 2.602 ( 0.396 2.527 0.000) 2.558 2.706 ( -11.564 -2.732 0.000) 11.882 2.768 ( 8.678 12.265 0.000) 15.024 2.867 ( 2.209 10.808 0.000) 11.032 3.117 ( -2.781 14.853 0.000) 15.111 3.268 ( -14.682 16.037 0.000) 21.742 3.393 ( 7.999 3.416 0.000) 8.698 3.581 ( 2.860 7.387 0.000) 7.921 3.591 ( -1.878 7.984 0.000) 8.202 3.623 ( -15.843 3.630 0.000) 16.253 3.840 ( 13.405 -0.090 0.000) 13.406 4.013 ( -4.000 -1.106 0.000) 4.150 4.485 ( 7.132 2.124 0.000) 7.441 4.520 ( 0.583 4.863 0.000) 4.898 4.737 ( 1.961 10.637 0.000) 10.817 4.768 ( -1.932 6.581 0.000) 6.859 4.930 ( 9.508 29.915 0.000) 31.390 5.024 ( 1.453 32.095 0.000) 32.128 5.118 ( 1.808 33.574 0.000) 33.622 5.203 ( -6.805 29.483 0.000) 30.258 5.333 ( -4.323 4.690 0.000) 6.378 5.430 ( -10.551 6.595 0.000) 12.442 6.084 ( 4.245 -5.979 0.000) 7.333 6.115 ( -0.548 -5.305 0.000) 5.333 6.807 ( 7.200 0.256 0.000) 7.204 6.915 ( -4.237 -2.244 0.000) 4.795 7.039 ( 4.157 0.291 0.000) 4.167 7.126 ( -4.242 -2.684 0.000) 5.020 7.409 ( 9.162 1.825 0.000) 9.342 7.471 ( 3.235 -0.382 0.000) 3.258 7.540 ( 3.366 -4.681 0.000) 5.766 7.562 ( 2.205 -1.892 0.000) 2.905 7.726 ( 3.119 -11.222 0.000) 11.647 7.894 ( -13.064 -6.467 0.000) 14.577 8.549 ( 4.889 2.681 0.000) 5.576 8.581 ( 1.759 11.191 0.000) 11.329 8.790 ( 8.782 13.470 0.000) 16.080 8.909 ( 1.714 5.025 0.000) 5.309 8.994 ( -3.125 0.522 0.000) 3.168 9.036 ( -7.238 7.960 0.000) 10.759 9.378 ( -4.526 3.674 0.000) 5.829 9.378 ( -8.427 3.461 0.000) 9.109 9.581 ( 2.243 3.863 0.000) 4.467 9.616 ( -1.352 2.385 0.000) 2.741 9.808 ( 2.393 2.326 0.000) 3.337 9.853 ( -1.271 2.721 0.000) 3.004 9.982 ( 20.118 19.092 0.000) 27.735 10.335 ( -9.473 3.756 0.000) 10.191 10.349 ( 2.744 -3.704 0.000) 4.610 10.473 ( 5.634 8.875 0.000) 10.512 10.543 ( -23.033 20.732 0.000) 30.989 10.707 ( -14.937 2.346 0.000) 15.120 11.123 ( 8.166 4.064 0.000) 9.122 11.237 ( -2.505 2.381 0.000) 3.456 11.536 ( 7.566 15.590 0.000) 17.329 11.693 ( -8.005 13.444 0.000) 15.647 12.267 ( 0.102 -23.269 0.000) 23.269 12.277 ( -1.029 -22.934 0.000) 22.957 12.684 ( 2.303 -31.603 0.000) 31.687 12.688 ( 0.611 -30.817 0.000) 30.823 12.908 ( -0.175 3.757 0.000) 3.761 12.969 ( -8.111 11.790 0.000) 14.310 13.055 ( 1.601 1.404 0.000) 2.129 13.109 ( -2.865 -2.243 0.000) 3.639 13.775 ( 2.504 18.314 0.000) 18.485 13.841 ( -5.582 24.272 0.000) 24.905 14.113 ( 19.176 15.051 0.000) 24.377 14.409 ( -13.525 25.294 0.000) 28.683 14.642 ( 4.160 5.985 0.000) 7.288 14.718 ( -3.161 3.480 0.000) 4.701 14.820 ( 7.432 1.774 0.000) 7.641 15.025 ( -13.907 -1.340 0.000) 13.972 16.239 ( 0.179 -9.377 0.000) 9.379 16.260 ( -2.652 -8.035 0.000) 8.461 16.420 ( 0.432 -8.982 0.000) 8.992 16.435 ( -1.454 -6.103 0.000) 6.274 16.592 ( 0.508 4.439 0.000) 4.468 16.603 ( -0.600 3.970 0.000) 4.015 19.557 ( 12.159 -1.672 0.000) 12.274 19.673 ( 2.322 7.726 0.000) 8.068 19.779 ( 0.320 14.572 0.000) 14.575 19.897 ( -14.305 5.606 0.000) 15.364 20.361 ( 2.692 2.208 0.000) 3.482 20.490 ( -10.938 0.763 0.000) 10.964 23.844 ( 17.696 -6.815 0.000) 18.963 24.146 ( -14.135 -8.042 0.000) 16.262 25.214 ( 5.767 -18.796 0.000) 19.661 25.236 ( 5.453 -29.305 0.000) 29.808======================= Grid point 10 (7/63) =======================q-point: ( 0.00 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.404 ( 0.000 33.563 0.000) 33.563 1.417 ( 0.000 31.532 0.000) 31.532 1.991 ( 0.000 9.841 0.000) 9.841 2.265 ( 0.000 38.519 0.000) 38.519 2.384 ( 0.000 -0.921 0.000) 0.921 2.546 ( 0.000 11.919 0.000) 11.919 2.598 ( 0.000 25.894 0.000) 25.894 2.754 ( 0.000 1.961 0.000) 1.961 2.786 ( 0.000 9.188 0.000) 9.188 2.952 ( 0.000 0.247 0.000) 0.247 3.053 ( 0.000 4.320 0.000) 4.320 3.169 ( 0.000 6.531 0.000) 6.531 3.189 ( 0.000 20.470 0.000) 20.470 3.313 ( 0.000 8.691 0.000) 8.691 3.383 ( 0.000 4.638 0.000) 4.638 3.768 ( 0.000 11.789 0.000) 11.789 3.783 ( 0.000 24.585 0.000) 24.585 3.899 ( 0.000 11.050 0.000) 11.050 3.996 ( 0.000 -1.276 0.000) 1.276 4.084 ( 0.000 5.359 0.000) 5.359 4.481 ( 0.000 16.598 0.000) 16.598 4.741 ( 0.000 1.111 0.000) 1.111 4.796 ( 0.000 9.661 0.000) 9.661 5.022 ( 0.000 1.834 0.000) 1.834 5.285 ( 0.000 18.750 0.000) 18.750 5.465 ( 0.000 -0.830 0.000) 0.830 5.574 ( 0.000 11.583 0.000) 11.583 5.784 ( 0.000 21.609 0.000) 21.609 5.907 ( 0.000 22.951 0.000) 22.951 5.926 ( 0.000 37.009 0.000) 37.009 6.077 ( 0.000 32.007 0.000) 32.007 6.425 ( 0.000 26.789 0.000) 26.789 6.637 ( 0.000 4.552 0.000) 4.552 6.897 ( 0.000 2.684 0.000) 2.684 6.948 ( 0.000 -0.225 0.000) 0.225 7.003 ( 0.000 -0.552 0.000) 0.552 7.318 ( 0.000 -3.642 0.000) 3.642 7.334 ( 0.000 8.616 0.000) 8.616 7.461 ( 0.000 9.960 0.000) 9.960 7.581 ( 0.000 -8.464 0.000) 8.464 7.635 ( 0.000 6.620 0.000) 6.620 8.190 ( 0.000 0.120 0.000) 0.120 8.310 ( 0.000 2.486 0.000) 2.486 8.736 ( 0.000 -4.879 0.000) 4.879 8.858 ( 0.000 15.748 0.000) 15.748 8.879 ( 0.000 4.499 0.000) 4.499 9.123 ( 0.000 -4.277 0.000) 4.277 9.149 ( 0.000 8.189 0.000) 8.189 9.525 ( 0.000 -1.159 0.000) 1.159 9.548 ( 0.000 1.793 0.000) 1.793 9.564 ( 0.000 -1.256 0.000) 1.256 9.703 ( 0.000 0.540 0.000) 0.540 9.914 ( 0.000 6.202 0.000) 6.202 9.998 ( 0.000 27.997 0.000) 27.997 10.057 ( 0.000 14.215 0.000) 14.215 10.440 ( 0.000 9.746 0.000) 9.746 10.605 ( 0.000 14.635 0.000) 14.635 10.881 ( 0.000 -6.123 0.000) 6.123 10.928 ( 0.000 -2.340 0.000) 2.340 10.974 ( 0.000 -6.186 0.000) 6.186 11.160 ( 0.000 21.341 0.000) 21.341 11.382 ( 0.000 -16.102 0.000) 16.102 11.472 ( 0.000 8.117 0.000) 8.117 11.848 ( 0.000 -36.020 0.000) 36.020 11.923 ( 0.000 -12.298 0.000) 12.298 11.946 ( 0.000 -16.665 0.000) 16.665 11.987 ( 0.000 -25.700 0.000) 25.700 12.059 ( 0.000 1.779 0.000) 1.779 12.821 ( 0.000 -9.736 0.000) 9.736 12.982 ( 0.000 -3.516 0.000) 3.516 13.031 ( 0.000 -2.901 0.000) 2.901 13.494 ( 0.000 -0.546 0.000) 0.546 13.783 ( 0.000 10.761 0.000) 10.761 14.013 ( 0.000 12.252 0.000) 12.252 14.556 ( 0.000 18.385 0.000) 18.385 14.760 ( 0.000 3.388 0.000) 3.388 14.781 ( 0.000 -0.561 0.000) 0.561 14.793 ( 0.000 11.533 0.000) 11.533 15.242 ( 0.000 -8.242 0.000) 8.242 15.535 ( 0.000 1.419 0.000) 1.419 16.009 ( 0.000 -13.399 0.000) 13.399 16.128 ( 0.000 -12.498 0.000) 12.498 16.144 ( 0.000 -14.134 0.000) 14.134 16.664 ( 0.000 6.254 0.000) 6.254 16.718 ( 0.000 7.021 0.000) 7.021 18.026 ( 0.000 -29.098 0.000) 29.098 18.605 ( 0.000 13.930 0.000) 13.930 19.651 ( 0.000 -3.519 0.000) 3.519 20.145 ( 0.000 16.030 0.000) 16.030 20.461 ( 0.000 15.248 0.000) 15.248 20.467 ( 0.000 6.542 0.000) 6.542 20.771 ( 0.000 -0.277 0.000) 0.277 23.383 ( 0.000 -1.588 0.000) 1.588 23.794 ( 0.000 -10.629 0.000) 10.629 24.195 ( 0.000 -15.633 0.000) 15.633 24.648 ( 0.000 -20.698 0.000) 20.698======================= Grid point 11 (8/63) =======================q-point: ( 0.20 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( 4.310 29.017 0.000) 29.335 1.509 ( 9.490 28.721 0.000) 30.248 2.026 ( 3.412 10.418 0.000) 10.963 2.316 ( -3.575 9.530 0.000) 10.179 2.389 ( -5.287 10.825 0.000) 12.047 2.418 ( 1.037 22.836 0.000) 22.859 2.510 ( -22.931 4.368 0.000) 23.344 2.703 ( 9.729 25.484 0.000) 27.278 2.738 ( -1.894 1.641 0.000) 2.506 2.976 ( -2.208 12.313 0.000) 12.510 2.992 ( 1.936 10.336 0.000) 10.515 3.075 ( -4.954 15.265 0.000) 16.049 3.285 ( 9.028 5.163 0.000) 10.400 3.510 ( 8.518 3.278 0.000) 9.127 3.515 ( 10.214 12.251 0.000) 15.951 3.656 ( -5.296 16.170 0.000) 17.015 3.827 ( -4.869 8.657 0.000) 9.932 3.845 ( 2.992 17.488 0.000) 17.742 3.983 ( -4.744 1.077 0.000) 4.865 4.086 ( -0.064 5.688 0.000) 5.689 4.532 ( 4.562 13.945 0.000) 14.672 4.770 ( -4.555 10.163 0.000) 11.137 4.782 ( 3.640 1.465 0.000) 3.923 4.931 ( -5.742 7.952 0.000) 9.808 5.270 ( 1.789 12.610 0.000) 12.736 5.449 ( -0.978 4.504 0.000) 4.609 5.702 ( 9.555 9.833 0.000) 13.711 5.833 ( 2.298 37.734 0.000) 37.804 5.870 ( -0.931 4.677 0.000) 4.769 5.958 ( 2.118 35.830 0.000) 35.892 6.025 ( -5.479 33.819 0.000) 34.260 6.322 ( -9.361 27.152 0.000) 28.720 6.719 ( 7.108 4.718 0.000) 8.531 6.922 ( 1.279 2.256 0.000) 2.593 6.972 ( 2.275 -0.167 0.000) 2.281 7.020 ( 1.923 -3.444 0.000) 3.944 7.354 ( 3.596 -3.825 0.000) 5.250 7.376 ( 5.229 7.585 0.000) 9.213 7.492 ( 2.910 9.038 0.000) 9.494 7.569 ( -3.315 -0.001 0.000) 3.315 7.615 ( 0.329 0.820 0.000) 0.883 8.082 ( -10.816 -0.551 0.000) 10.830 8.390 ( 7.176 0.742 0.000) 7.214 8.695 ( -3.062 -2.646 0.000) 4.047 8.870 ( 2.332 11.489 0.000) 11.723 8.898 ( 2.401 3.638 0.000) 4.358 9.134 ( 0.955 -3.236 0.000) 3.374 9.176 ( 0.051 9.380 0.000) 9.380 9.525 ( -1.560 0.242 0.000) 1.578 9.531 ( -2.002 -2.800 0.000) 3.442 9.627 ( 4.513 3.193 0.000) 5.529 9.668 ( -0.386 6.309 0.000) 6.321 9.933 ( 1.338 6.697 0.000) 6.829 10.007 ( 1.049 16.899 0.000) 16.931 10.112 ( 6.964 21.430 0.000) 22.533 10.368 ( -5.183 6.087 0.000) 7.995 10.524 ( -9.056 7.401 0.000) 11.695 10.748 ( -7.562 8.627 0.000) 11.472 10.904 ( -6.549 -4.967 0.000) 8.220 11.033 ( 9.000 1.669 0.000) 9.153 11.195 ( -13.314 -2.614 0.000) 13.568 11.280 ( 5.053 8.366 0.000) 9.774 11.576 ( 6.622 1.633 0.000) 6.820 11.783 ( -3.614 -27.109 0.000) 27.349 11.873 ( -4.800 -16.296 0.000) 16.989 11.975 ( -2.975 -23.845 0.000) 24.030 11.999 ( 5.169 -22.622 0.000) 23.205 12.089 ( 1.684 -1.037 0.000) 1.977 12.849 ( 2.644 -9.373 0.000) 9.739 12.899 ( -2.527 -3.952 0.000) 4.691 13.100 ( 2.183 -1.502 0.000) 2.650 13.444 ( -5.672 1.704 0.000) 5.923 13.928 ( 12.412 9.878 0.000) 15.863 14.069 ( 8.093 13.747 0.000) 15.952 14.488 ( -7.270 18.165 0.000) 19.566 14.774 ( 1.098 5.519 0.000) 5.627 14.792 ( 0.812 1.556 0.000) 1.756 14.818 ( 2.847 9.193 0.000) 9.623 15.155 ( -9.233 -6.938 0.000) 11.549 15.416 ( -14.323 11.431 0.000) 18.325 15.996 ( -1.111 -13.986 0.000) 14.030 16.110 ( -2.356 -11.972 0.000) 12.202 16.165 ( 1.932 -13.126 0.000) 13.267 16.629 ( -7.743 3.793 0.000) 8.622 16.718 ( -0.010 7.125 0.000) 7.125 17.004 ( -51.662 9.422 0.000) 52.514 19.139 ( 23.744 -6.662 0.000) 24.661 19.670 ( 1.538 -5.126 0.000) 5.352 20.139 ( -0.474 16.961 0.000) 16.967 20.330 ( -10.246 12.152 0.000) 15.895 20.491 ( 0.094 11.841 0.000) 11.842 20.700 ( -7.342 0.744 0.000) 7.380 23.434 ( 8.945 -4.263 0.000) 9.909 24.118 ( -7.615 -14.769 0.000) 16.617 24.194 ( 29.233 -24.331 0.000) 38.034 24.698 ( 4.038 -22.350 0.000) 22.712======================= Grid point 12 (9/63) =======================q-point: ( 0.40 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( 16.524 17.189 0.000) 23.843 1.751 ( 15.646 22.178 0.000) 27.141 1.998 ( -18.400 10.218 0.000) 21.047 2.075 ( -17.615 15.662 0.000) 23.571 2.167 ( -0.176 7.674 0.000) 7.676 2.250 ( -5.125 9.537 0.000) 10.827 2.582 ( 8.045 8.711 0.000) 11.858 2.690 ( -3.560 3.119 0.000) 4.733 2.806 ( 2.285 18.225 0.000) 18.368 2.895 ( -7.267 17.152 0.000) 18.628 3.108 ( 10.789 21.161 0.000) 23.753 3.130 ( 5.448 13.307 0.000) 14.379 3.481 ( 0.002 7.889 0.000) 7.889 3.481 ( 9.627 14.843 0.000) 17.692 3.547 ( -5.733 11.078 0.000) 12.473 3.751 ( 7.456 6.722 0.000) 10.039 3.759 ( -11.319 9.267 0.000) 14.629 3.817 ( -4.157 12.347 0.000) 13.028 3.916 ( 5.295 11.011 0.000) 12.218 4.034 ( -5.678 3.887 0.000) 6.880 4.611 ( 3.091 8.863 0.000) 9.386 4.661 ( -3.874 9.158 0.000) 9.944 4.849 ( 3.074 4.196 0.000) 5.202 4.889 ( -1.160 7.376 0.000) 7.466 5.352 ( 5.770 8.098 0.000) 9.943 5.431 ( -1.879 6.680 0.000) 6.939 5.805 ( -0.544 31.144 0.000) 31.148 5.837 ( 0.990 9.806 0.000) 9.856 5.926 ( -0.523 37.439 0.000) 37.443 5.954 ( 7.104 19.621 0.000) 20.868 5.974 ( -1.260 27.569 0.000) 27.597 6.124 ( -10.688 28.020 0.000) 29.990 6.847 ( 5.464 4.406 0.000) 7.019 6.914 ( -1.987 3.371 0.000) 3.913 7.022 ( 2.709 -1.692 0.000) 3.194 7.051 ( 0.243 -4.561 0.000) 4.567 7.432 ( 3.811 -2.893 0.000) 4.785 7.479 ( -0.523 2.837 0.000) 2.885 7.550 ( 2.977 6.513 0.000) 7.162 7.561 ( 6.876 2.279 0.000) 7.244 7.618 ( 1.443 1.293 0.000) 1.937 7.832 ( -14.588 -0.334 0.000) 14.592 8.524 ( 6.414 -2.010 0.000) 6.722 8.626 ( -4.524 -3.257 0.000) 5.574 8.973 ( 8.001 7.444 0.000) 10.928 8.978 ( 5.825 2.912 0.000) 6.512 9.115 ( -5.491 7.091 0.000) 8.968 9.126 ( -3.477 1.390 0.000) 3.745 9.443 ( -3.292 2.599 0.000) 4.194 9.466 ( -3.980 3.346 0.000) 5.199 9.711 ( 3.646 8.218 0.000) 8.991 9.723 ( 2.924 8.337 0.000) 8.835 9.957 ( 1.654 9.785 0.000) 9.924 9.997 ( -1.919 11.429 0.000) 11.589 10.271 ( 1.190 5.096 0.000) 5.233 10.338 ( -7.849 0.830 0.000) 7.893 10.405 ( 16.925 10.113 0.000) 19.717 10.661 ( -3.944 7.261 0.000) 8.263 10.777 ( -5.169 5.358 0.000) 7.445 10.866 ( -18.167 9.715 0.000) 20.601 11.206 ( 8.562 3.125 0.000) 9.114 11.319 ( -2.468 5.995 0.000) 6.483 11.705 ( 7.490 -5.956 0.000) 9.569 11.758 ( 1.152 -21.678 0.000) 21.709 11.797 ( -3.320 -20.614 0.000) 20.879 11.864 ( -8.062 -10.393 0.000) 13.153 12.082 ( 3.244 -22.122 0.000) 22.359 12.110 ( 0.191 -13.873 0.000) 13.875 12.901 ( 2.223 -8.678 0.000) 8.959 12.906 ( 1.659 -5.748 0.000) 5.983 13.135 ( 3.632 5.011 0.000) 6.189 13.282 ( -10.554 8.008 0.000) 13.248 14.100 ( 8.273 14.641 0.000) 16.817 14.294 ( -12.060 19.337 0.000) 22.789 14.401 ( 23.632 11.827 0.000) 26.426 14.793 ( 0.855 6.629 0.000) 6.684 14.799 ( -0.737 4.324 0.000) 4.386 14.860 ( -22.547 7.189 0.000) 23.666 14.903 ( 6.411 7.980 0.000) 10.236 15.081 ( -14.125 14.683 0.000) 20.374 15.985 ( 0.410 -14.006 0.000) 14.012 16.030 ( -4.708 -11.950 0.000) 12.844 16.210 ( 2.902 -11.614 0.000) 11.971 16.304 ( -9.925 -8.049 0.000) 12.779 16.717 ( -0.032 7.541 0.000) 7.541 16.722 ( -1.070 8.572 0.000) 8.638 19.472 ( 14.010 -6.846 0.000) 15.593 19.660 ( -4.694 -8.758 0.000) 9.937 20.123 ( -1.086 17.427 0.000) 17.461 20.151 ( -6.108 17.281 0.000) 18.328 20.494 ( 0.945 10.730 0.000) 10.772 20.556 ( -6.194 6.100 0.000) 8.693 23.673 ( 14.552 -9.360 0.000) 17.302 23.930 ( -12.246 -12.726 0.000) 17.661 24.615 ( 14.091 -29.588 0.000) 32.772 24.742 ( -0.794 -26.115 0.000) 26.127======================= Grid point 15 (10/63) =======================q-point: ( 0.00 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( 0.000 25.011 0.000) 25.011 2.051 ( 0.000 30.252 0.000) 30.252 2.260 ( 0.000 15.802 0.000) 15.802 2.433 ( 0.000 5.686 0.000) 5.686 2.635 ( 0.000 8.990 0.000) 8.990 2.770 ( 0.000 -0.208 0.000) 0.208 2.869 ( 0.000 17.213 0.000) 17.213 2.947 ( 0.000 6.069 0.000) 6.069 3.026 ( 0.000 5.953 0.000) 5.953 3.130 ( 0.000 9.434 0.000) 9.434 3.298 ( 0.000 6.448 0.000) 6.448 3.402 ( 0.000 37.126 0.000) 37.126 3.451 ( 0.000 4.524 0.000) 4.524 3.489 ( 0.000 5.443 0.000) 5.443 3.546 ( 0.000 13.497 0.000) 13.497 3.941 ( 0.000 -2.530 0.000) 2.530 3.973 ( 0.000 8.751 0.000) 8.751 4.122 ( 0.000 11.313 0.000) 11.313 4.202 ( 0.000 4.587 0.000) 4.587 4.284 ( 0.000 23.577 0.000) 23.577 4.778 ( 0.000 2.653 0.000) 2.653 4.808 ( 0.000 14.862 0.000) 14.862 5.039 ( 0.000 0.161 0.000) 0.161 5.066 ( 0.000 16.564 0.000) 16.564 5.427 ( 0.000 -0.868 0.000) 0.868 5.552 ( 0.000 -7.479 0.000) 7.479 5.571 ( 0.000 12.263 0.000) 12.263 5.862 ( 0.000 -0.300 0.000) 0.300 6.484 ( 0.000 13.277 0.000) 13.277 6.621 ( 0.000 25.611 0.000) 25.611 6.626 ( 0.000 10.835 0.000) 10.835 6.854 ( 0.000 3.499 0.000) 3.499 6.918 ( 0.000 29.101 0.000) 29.101 7.030 ( 0.000 8.128 0.000) 8.128 7.103 ( 0.000 16.230 0.000) 16.230 7.202 ( 0.000 20.211 0.000) 20.211 7.308 ( 0.000 12.999 0.000) 12.999 7.476 ( 0.000 2.794 0.000) 2.794 7.528 ( 0.000 10.880 0.000) 10.880 7.726 ( 0.000 16.197 0.000) 16.197 7.867 ( 0.000 15.616 0.000) 15.616 8.221 ( 0.000 3.896 0.000) 3.896 8.428 ( 0.000 8.774 0.000) 8.774 8.683 ( 0.000 1.799 0.000) 1.799 8.990 ( 0.000 7.722 0.000) 7.722 9.115 ( 0.000 5.574 0.000) 5.574 9.164 ( 0.000 13.998 0.000) 13.998 9.282 ( 0.000 3.228 0.000) 3.228 9.477 ( 0.000 -2.484 0.000) 2.484 9.497 ( 0.000 -1.378 0.000) 1.378 9.592 ( 0.000 2.767 0.000) 2.767 9.754 ( 0.000 3.359 0.000) 3.359 10.027 ( 0.000 4.361 0.000) 4.361 10.413 ( 0.000 18.826 0.000) 18.826 10.415 ( 0.000 2.570 0.000) 2.570 10.634 ( 0.000 -19.074 0.000) 19.074 10.676 ( 0.000 -15.418 0.000) 15.418 10.715 ( 0.000 17.212 0.000) 17.212 10.869 ( 0.000 8.011 0.000) 8.011 10.963 ( 0.000 -22.130 0.000) 22.130 11.019 ( 0.000 4.632 0.000) 4.632 11.154 ( 0.000 -29.412 0.000) 29.412 11.444 ( 0.000 -14.189 0.000) 14.189 11.601 ( 0.000 18.952 0.000) 18.952 11.642 ( 0.000 8.147 0.000) 8.147 11.704 ( 0.000 -7.202 0.000) 7.202 11.861 ( 0.000 7.535 0.000) 7.535 12.157 ( 0.000 -0.606 0.000) 0.606 12.560 ( 0.000 -16.323 0.000) 16.323 12.910 ( 0.000 -3.292 0.000) 3.292 12.966 ( 0.000 -2.995 0.000) 2.995 13.426 ( 0.000 -5.727 0.000) 5.727 13.982 ( 0.000 7.798 0.000) 7.798 14.278 ( 0.000 14.464 0.000) 14.464 14.707 ( 0.000 -6.734 0.000) 6.734 14.784 ( 0.000 -1.454 0.000) 1.454 14.869 ( 0.000 11.938 0.000) 11.938 14.999 ( 0.000 8.320 0.000) 8.320 15.029 ( 0.000 -12.596 0.000) 12.596 15.579 ( 0.000 2.677 0.000) 2.677 15.752 ( 0.000 -10.627 0.000) 10.627 15.910 ( 0.000 -7.653 0.000) 7.653 15.945 ( 0.000 -4.434 0.000) 4.434 16.777 ( 0.000 2.643 0.000) 2.643 16.903 ( 0.000 11.358 0.000) 11.358 17.521 ( 0.000 -18.110 0.000) 18.110 18.802 ( 0.000 4.745 0.000) 4.745 19.434 ( 0.000 -15.844 0.000) 15.844 20.411 ( 0.000 10.420 0.000) 10.420 20.672 ( 0.000 11.135 0.000) 11.135 20.773 ( 0.000 14.481 0.000) 14.481 20.775 ( 0.000 0.637 0.000) 0.637 23.345 ( 0.000 -2.139 0.000) 2.139 23.587 ( 0.000 -9.327 0.000) 9.327 23.854 ( 0.000 -17.403 0.000) 17.403 24.193 ( 0.000 -23.382 0.000) 23.382======================= Grid point 16 (11/63) =======================q-point: ( 0.20 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.006 ( -3.242 27.812 0.000) 28.001 2.041 ( 5.274 23.477 0.000) 24.062 2.298 ( 3.786 15.437 0.000) 15.895 2.435 ( -0.069 6.722 0.000) 6.722 2.563 ( -19.997 1.846 0.000) 20.082 2.581 ( -6.211 8.909 0.000) 10.860 2.812 ( -3.711 17.438 0.000) 17.828 2.820 ( -2.331 5.833 0.000) 6.282 3.123 ( -0.194 11.367 0.000) 11.369 3.193 ( 8.263 8.657 0.000) 11.967 3.339 ( -6.019 10.132 0.000) 11.785 3.384 ( 7.039 6.861 0.000) 9.829 3.494 ( 8.259 30.492 0.000) 31.591 3.565 ( 7.376 4.391 0.000) 8.584 3.769 ( 11.833 11.480 0.000) 16.487 3.895 ( -2.172 -1.832 0.000) 2.842 3.920 ( -4.533 10.162 0.000) 11.127 4.069 ( -4.507 7.000 0.000) 8.326 4.196 ( -1.489 5.146 0.000) 5.358 4.272 ( -0.609 22.348 0.000) 22.356 4.780 ( 0.600 8.296 0.000) 8.317 4.867 ( 4.934 8.635 0.000) 9.945 4.993 ( -4.511 9.233 0.000) 10.276 5.101 ( 1.624 11.368 0.000) 11.483 5.425 ( -4.098 4.051 0.000) 5.762 5.482 ( 5.167 0.204 0.000) 5.171 5.683 ( 4.348 -2.735 0.000) 5.137 5.821 ( -4.328 -2.026 0.000) 4.779 6.535 ( 5.129 16.384 0.000) 17.168 6.614 ( -0.567 22.529 0.000) 22.536 6.635 ( -0.467 15.933 0.000) 15.939 6.805 ( -1.324 5.574 0.000) 5.729 6.980 ( 3.187 26.240 0.000) 26.433 7.021 ( 0.007 10.178 0.000) 10.178 7.121 ( 1.022 16.331 0.000) 16.363 7.194 ( -1.560 25.913 0.000) 25.960 7.321 ( 2.464 2.981 0.000) 3.867 7.490 ( 0.945 2.127 0.000) 2.327 7.573 ( 4.563 10.971 0.000) 11.883 7.741 ( 1.245 15.163 0.000) 15.214 7.838 ( -2.431 15.695 0.000) 15.882 8.127 ( -9.319 6.722 0.000) 11.491 8.471 ( 3.672 7.098 0.000) 7.992 8.652 ( -2.870 1.404 0.000) 3.195 8.988 ( 0.688 5.720 0.000) 5.761 9.100 ( -1.833 9.686 0.000) 9.858 9.135 ( 1.806 5.885 0.000) 6.156 9.346 ( -3.609 6.740 0.000) 7.645 9.463 ( 3.800 -3.565 0.000) 5.211 9.505 ( 1.958 -0.396 0.000) 1.997 9.718 ( 9.786 5.868 0.000) 11.410 9.774 ( 3.193 4.513 0.000) 5.528 10.061 ( 3.311 5.498 0.000) 6.418 10.368 ( -3.826 17.626 0.000) 18.036 10.405 ( -1.838 -1.293 0.000) 2.248 10.486 ( -9.129 -1.187 0.000) 9.206 10.557 ( -11.052 -7.497 0.000) 13.355 10.800 ( -4.287 -4.195 0.000) 5.998 10.800 ( 1.286 -0.935 0.000) 1.590 10.967 ( 0.435 -15.520 0.000) 15.526 11.056 ( 3.771 0.623 0.000) 3.822 11.161 ( 0.163 -24.210 0.000) 24.210 11.452 ( 0.695 -13.332 0.000) 13.350 11.563 ( -2.747 14.505 0.000) 14.763 11.663 ( -3.213 -3.490 0.000) 4.744 11.698 ( 2.034 8.667 0.000) 8.902 11.837 ( 0.226 4.501 0.000) 4.506 12.164 ( -0.922 -1.120 0.000) 1.450 12.602 ( 3.852 -15.034 0.000) 15.519 12.796 ( -5.438 -5.482 0.000) 7.722 13.080 ( 6.539 -0.955 0.000) 6.608 13.406 ( -2.306 -4.755 0.000) 5.284 14.102 ( 11.107 6.318 0.000) 12.778 14.353 ( 8.407 13.978 0.000) 16.311 14.668 ( -4.255 -2.703 0.000) 5.041 14.815 ( 3.255 0.051 0.000) 3.255 14.876 ( 0.081 6.856 0.000) 6.856 14.975 ( -5.112 -9.106 0.000) 10.442 15.015 ( 2.061 8.351 0.000) 8.601 15.557 ( -2.908 4.600 0.000) 5.443 15.740 ( -0.721 -9.866 0.000) 9.893 15.935 ( 2.198 -8.192 0.000) 8.482 15.940 ( -0.705 -3.936 0.000) 3.998 16.629 ( -22.534 -5.726 0.000) 23.250 16.905 ( 0.277 11.504 0.000) 11.508 17.115 ( -22.957 6.530 0.000) 23.868 19.033 ( 16.215 -5.482 0.000) 17.116 19.432 ( -0.504 -16.236 0.000) 16.244 20.422 ( 0.901 11.067 0.000) 11.103 20.605 ( -6.133 13.091 0.000) 14.456 20.743 ( -2.715 3.028 0.000) 4.067 20.765 ( -1.089 13.375 0.000) 13.420 23.357 ( 3.950 -3.431 0.000) 5.232 23.797 ( 16.818 -16.010 0.000) 23.221 23.798 ( -5.567 -16.234 0.000) 17.162 24.219 ( 1.766 -24.114 0.000) 24.178======================= Grid point 17 (12/63) =======================q-point: ( 0.40 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.004 ( 4.516 20.089 0.000) 20.590 2.157 ( -0.166 15.516 0.000) 15.517 2.232 ( -6.365 14.097 0.000) 15.467 2.374 ( -8.629 13.348 0.000) 15.895 2.383 ( 4.714 13.618 0.000) 14.411 2.459 ( -3.944 10.679 0.000) 11.384 2.774 ( -0.467 11.574 0.000) 11.584 2.786 ( -1.483 6.198 0.000) 6.373 3.142 ( 2.493 13.893 0.000) 14.115 3.215 ( -4.858 13.320 0.000) 14.178 3.372 ( 8.788 10.147 0.000) 13.423 3.495 ( 0.685 12.321 0.000) 12.340 3.575 ( 2.511 4.183 0.000) 4.879 3.709 ( -8.624 4.875 0.000) 9.906 3.762 ( 12.010 12.359 0.000) 17.233 3.903 ( 4.461 10.021 0.000) 10.969 3.952 ( -7.457 7.235 0.000) 10.390 3.994 ( -0.986 8.279 0.000) 8.337 4.194 ( 4.050 8.764 0.000) 9.654 4.262 ( -1.395 19.403 0.000) 19.453 4.800 ( 1.987 9.644 0.000) 9.847 4.880 ( -6.424 12.147 0.000) 13.741 4.969 ( 5.672 7.769 0.000) 9.619 5.068 ( -4.499 10.668 0.000) 11.578 5.470 ( 7.215 4.371 0.000) 8.436 5.565 ( 0.936 5.624 0.000) 5.701 5.718 ( -0.488 -7.801 0.000) 7.817 5.722 ( -4.061 -8.676 0.000) 9.579 6.586 ( -0.202 19.227 0.000) 19.228 6.600 ( -1.969 19.462 0.000) 19.562 6.680 ( 7.637 21.746 0.000) 23.048 6.792 ( -2.789 14.056 0.000) 14.330 7.012 ( 1.110 23.324 0.000) 23.351 7.029 ( 0.003 12.691 0.000) 12.691 7.136 ( 1.002 16.299 0.000) 16.330 7.161 ( -1.480 18.090 0.000) 18.150 7.399 ( 5.076 -0.131 0.000) 5.078 7.479 ( -2.677 -0.059 0.000) 2.678 7.693 ( 7.812 13.594 0.000) 15.679 7.759 ( 0.384 13.583 0.000) 13.588 7.804 ( -0.336 14.149 0.000) 14.153 7.919 ( -11.389 11.569 0.000) 16.234 8.535 ( 2.998 4.122 0.000) 5.097 8.592 ( -3.263 1.865 0.000) 3.759 9.049 ( 6.049 3.539 0.000) 7.008 9.116 ( 2.406 7.124 0.000) 7.519 9.157 ( -0.236 4.252 0.000) 4.258 9.203 ( -8.732 1.140 0.000) 8.807 9.530 ( 1.133 5.149 0.000) 5.272 9.538 ( 1.520 4.562 0.000) 4.808 9.880 ( 6.208 6.849 0.000) 9.244 9.886 ( 6.302 8.800 0.000) 10.824 10.139 ( 4.943 7.996 0.000) 9.400 10.249 ( -7.215 10.544 0.000) 12.776 10.318 ( -5.627 -2.625 0.000) 6.209 10.343 ( -9.172 -3.030 0.000) 9.659 10.466 ( 6.595 -3.296 0.000) 7.372 10.636 ( -9.902 -10.134 0.000) 14.168 10.870 ( 3.880 -0.245 0.000) 3.888 10.942 ( -3.192 -4.446 0.000) 5.473 11.132 ( 3.450 -12.088 0.000) 12.570 11.164 ( -0.074 -23.208 0.000) 23.209 11.465 ( 0.868 -8.007 0.000) 8.054 11.503 ( -3.228 5.404 0.000) 6.295 11.627 ( 0.062 4.636 0.000) 4.637 11.663 ( -3.246 8.860 0.000) 9.435 11.936 ( 8.052 0.143 0.000) 8.054 12.085 ( -7.014 -0.885 0.000) 7.069 12.678 ( 3.728 -13.009 0.000) 13.533 12.732 ( -2.325 -10.058 0.000) 10.323 13.207 ( 7.232 0.810 0.000) 7.277 13.333 ( -5.553 -1.813 0.000) 5.841 14.328 ( 12.264 6.098 0.000) 13.697 14.540 ( -9.533 3.631 0.000) 10.201 14.581 ( 13.848 4.408 0.000) 14.533 14.797 ( -8.912 -8.311 0.000) 12.186 14.886 ( 3.184 5.626 0.000) 6.464 14.916 ( -0.750 7.820 0.000) 7.856 15.121 ( 11.472 11.241 0.000) 16.062 15.417 ( -14.197 13.148 0.000) 19.350 15.752 ( 2.834 -7.937 0.000) 8.428 15.881 ( -8.219 -1.231 0.000) 8.311 15.979 ( 2.531 -9.582 0.000) 9.911 16.097 ( -17.422 -11.779 0.000) 21.030 16.914 ( 0.717 12.015 0.000) 12.037 16.940 ( -2.649 12.967 0.000) 13.235 19.277 ( 9.590 -12.251 0.000) 15.558 19.398 ( -3.650 -15.881 0.000) 16.295 20.437 ( 1.018 13.079 0.000) 13.119 20.489 ( -5.011 14.817 0.000) 15.642 20.712 ( -0.024 8.155 0.000) 8.155 20.734 ( -1.872 11.558 0.000) 11.708 23.490 ( 9.156 -8.376 0.000) 12.409 23.662 ( -8.607 -13.125 0.000) 15.696 24.081 ( 11.836 -23.131 0.000) 25.983 24.217 ( -2.956 -24.942 0.000) 25.117======================= Grid point 20 (13/63) =======================q-point: ( 0.00 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.418 ( 0.000 17.048 0.000) 17.048 2.548 ( 0.000 11.831 0.000) 11.831 2.584 ( 0.000 15.219 0.000) 15.219 2.654 ( 0.000 22.376 0.000) 22.376 2.754 ( 0.000 -0.883 0.000) 0.883 2.781 ( 0.000 5.677 0.000) 5.677 2.999 ( 0.000 -1.366 0.000) 1.366 3.160 ( 0.000 6.997 0.000) 6.997 3.162 ( 0.000 10.796 0.000) 10.796 3.286 ( 0.000 7.711 0.000) 7.711 3.430 ( 0.000 6.401 0.000) 6.401 3.512 ( 0.000 2.452 0.000) 2.452 3.579 ( 0.000 2.989 0.000) 2.989 3.723 ( 0.000 4.708 0.000) 4.708 3.886 ( 0.000 -3.667 0.000) 3.667 4.004 ( 0.000 13.800 0.000) 13.800 4.192 ( 0.000 18.743 0.000) 18.743 4.281 ( 0.000 3.886 0.000) 3.886 4.339 ( 0.000 9.216 0.000) 9.216 4.694 ( 0.000 16.629 0.000) 16.629 4.852 ( 0.000 4.913 0.000) 4.913 5.034 ( 0.000 6.344 0.000) 6.344 5.060 ( 0.000 2.670 0.000) 2.670 5.395 ( 0.000 -6.680 0.000) 6.680 5.420 ( 0.000 17.428 0.000) 17.428 5.489 ( 0.000 8.009 0.000) 8.009 5.798 ( 0.000 9.840 0.000) 9.840 5.838 ( 0.000 -1.075 0.000) 1.075 6.582 ( 0.000 1.458 0.000) 1.458 6.784 ( 0.000 8.091 0.000) 8.091 6.867 ( 0.000 6.560 0.000) 6.560 6.933 ( 0.000 6.354 0.000) 6.354 7.096 ( 0.000 1.718 0.000) 1.718 7.287 ( 0.000 3.739 0.000) 3.739 7.419 ( 0.000 16.943 0.000) 16.943 7.529 ( 0.000 14.743 0.000) 14.743 7.708 ( 0.000 14.162 0.000) 14.162 7.764 ( 0.000 12.169 0.000) 12.169 7.828 ( 0.000 20.418 0.000) 20.418 8.098 ( 0.000 19.930 0.000) 19.930 8.213 ( 0.000 17.298 0.000) 17.298 8.441 ( 0.000 19.599 0.000) 19.599 8.624 ( 0.000 9.580 0.000) 9.580 8.822 ( 0.000 9.637 0.000) 9.637 9.221 ( 0.000 13.963 0.000) 13.963 9.222 ( 0.000 -6.144 0.000) 6.144 9.314 ( 0.000 7.795 0.000) 7.795 9.383 ( 0.000 6.545 0.000) 6.545 9.493 ( 0.000 8.630 0.000) 8.630 9.618 ( 0.000 11.151 0.000) 11.151 9.677 ( 0.000 5.992 0.000) 5.992 9.688 ( 0.000 -15.575 0.000) 15.575 10.049 ( 0.000 -28.354 0.000) 28.354 10.098 ( 0.000 2.585 0.000) 2.585 10.243 ( 0.000 -18.069 0.000) 18.069 10.374 ( 0.000 -4.564 0.000) 4.564 10.547 ( 0.000 -17.142 0.000) 17.142 10.669 ( 0.000 3.641 0.000) 3.641 10.738 ( 0.000 -14.224 0.000) 14.224 10.913 ( 0.000 -2.383 0.000) 2.383 11.107 ( 0.000 19.952 0.000) 19.952 11.175 ( 0.000 10.672 0.000) 10.672 11.431 ( 0.000 3.626 0.000) 3.626 11.674 ( 0.000 5.164 0.000) 5.164 11.792 ( 0.000 6.263 0.000) 6.263 11.875 ( 0.000 11.841 0.000) 11.841 12.039 ( 0.000 -8.730 0.000) 8.730 12.165 ( 0.000 -22.230 0.000) 22.230 12.178 ( 0.000 17.234 0.000) 17.234 12.845 ( 0.000 -3.425 0.000) 3.425 12.926 ( 0.000 -0.891 0.000) 0.891 13.279 ( 0.000 -8.540 0.000) 8.540 14.051 ( 0.000 -1.362 0.000) 1.362 14.453 ( 0.000 -4.472 0.000) 4.472 14.525 ( 0.000 -10.686 0.000) 10.686 14.727 ( 0.000 -15.483 0.000) 15.483 14.831 ( 0.000 13.281 0.000) 13.281 15.070 ( 0.000 7.768 0.000) 7.768 15.137 ( 0.000 6.196 0.000) 6.196 15.624 ( 0.000 -1.941 0.000) 1.941 15.627 ( 0.000 1.710 0.000) 1.710 15.862 ( 0.000 2.266 0.000) 2.266 15.957 ( 0.000 4.737 0.000) 4.737 16.664 ( 0.000 -12.221 0.000) 12.221 17.174 ( 0.000 15.376 0.000) 15.376 17.422 ( 0.000 7.014 0.000) 7.014 18.787 ( 0.000 -5.863 0.000) 5.863 19.073 ( 0.000 -19.128 0.000) 19.128 20.572 ( 0.000 5.883 0.000) 5.883 20.788 ( 0.000 0.291 0.000) 0.291 20.849 ( 0.000 5.840 0.000) 5.840 21.003 ( 0.000 7.550 0.000) 7.550 23.299 ( 0.000 -2.277 0.000) 2.277 23.430 ( 0.000 -6.244 0.000) 6.244 23.523 ( 0.000 -14.833 0.000) 14.833 23.742 ( 0.000 -20.561 0.000) 20.561======================= Grid point 21 (14/63) =======================q-point: ( 0.20 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.435 ( 1.096 14.178 0.000) 14.221 2.512 ( -4.894 19.068 0.000) 19.686 2.568 ( -4.458 8.617 0.000) 9.702 2.615 ( -1.624 13.222 0.000) 13.322 2.661 ( -3.053 11.409 0.000) 11.811 2.747 ( -3.545 7.650 0.000) 8.432 2.929 ( -2.633 3.859 0.000) 4.672 3.128 ( -4.126 13.274 0.000) 13.901 3.291 ( 1.954 6.085 0.000) 6.390 3.319 ( 9.893 3.540 0.000) 10.508 3.493 ( -1.611 5.864 0.000) 6.082 3.510 ( 6.640 5.587 0.000) 8.678 3.592 ( 1.354 1.174 0.000) 1.792 3.818 ( 1.240 -4.761 0.000) 4.920 3.916 ( 10.049 1.958 0.000) 10.238 4.029 ( 2.606 11.353 0.000) 11.649 4.123 ( -6.354 15.747 0.000) 16.981 4.195 ( -6.301 6.100 0.000) 8.770 4.320 ( -3.271 6.513 0.000) 7.288 4.683 ( -1.355 17.589 0.000) 17.641 4.932 ( 5.360 8.320 0.000) 9.897 5.030 ( 1.801 5.001 0.000) 5.315 5.117 ( 4.186 4.983 0.000) 6.508 5.391 ( -2.343 11.012 0.000) 11.259 5.409 ( 1.350 0.903 0.000) 1.624 5.512 ( 2.232 4.536 0.000) 5.055 5.751 ( -4.372 7.674 0.000) 8.832 5.803 ( -3.780 0.371 0.000) 3.798 6.629 ( 4.290 0.954 0.000) 4.395 6.831 ( 4.478 8.210 0.000) 9.352 6.872 ( 1.780 9.395 0.000) 9.562 6.892 ( -3.934 6.298 0.000) 7.425 7.157 ( 5.196 1.779 0.000) 5.492 7.315 ( 3.306 4.276 0.000) 5.405 7.454 ( 2.322 13.831 0.000) 14.024 7.517 ( -1.031 14.190 0.000) 14.227 7.642 ( -4.742 11.270 0.000) 12.227 7.692 ( -7.123 13.081 0.000) 14.894 7.939 ( 9.276 22.880 0.000) 24.689 8.091 ( -0.399 19.695 0.000) 19.699 8.190 ( -2.200 18.224 0.000) 18.356 8.426 ( -2.337 21.746 0.000) 21.871 8.647 ( 2.237 9.088 0.000) 9.359 8.790 ( -2.902 10.574 0.000) 10.965 9.143 ( -4.418 9.055 0.000) 10.076 9.176 ( -2.690 -2.923 0.000) 3.972 9.377 ( 1.336 14.968 0.000) 15.028 9.451 ( -5.942 7.649 0.000) 9.686 9.481 ( 4.240 2.596 0.000) 4.972 9.505 ( 3.021 0.145 0.000) 3.025 9.736 ( 4.991 -12.956 0.000) 13.884 9.857 ( 11.138 7.049 0.000) 13.181 10.029 ( -2.097 -26.790 0.000) 26.872 10.149 ( 4.904 2.045 0.000) 5.314 10.246 ( 0.174 -15.308 0.000) 15.309 10.333 ( -3.805 -3.385 0.000) 5.093 10.581 ( -1.483 -15.267 0.000) 15.339 10.615 ( -5.357 2.337 0.000) 5.844 10.624 ( -4.374 -8.413 0.000) 9.482 10.960 ( 2.408 -4.606 0.000) 5.197 11.010 ( -8.101 15.554 0.000) 17.537 11.144 ( -4.181 10.290 0.000) 11.107 11.442 ( 1.326 3.362 0.000) 3.614 11.721 ( 4.684 8.149 0.000) 9.399 11.737 ( -6.869 4.000 0.000) 7.949 11.865 ( 1.797 6.987 0.000) 7.214 12.040 ( -0.346 -8.940 0.000) 8.946 12.094 ( -4.875 10.916 0.000) 11.955 12.289 ( 7.433 -10.252 0.000) 12.663 12.709 ( -8.735 -2.780 0.000) 9.167 13.046 ( 7.381 -2.473 0.000) 7.784 13.274 ( -0.723 -7.980 0.000) 8.013 14.140 ( 8.545 -2.819 0.000) 8.998 14.468 ( 1.456 -6.513 0.000) 6.674 14.518 ( -0.838 -10.257 0.000) 10.291 14.680 ( -4.860 -14.694 0.000) 15.477 14.926 ( 9.557 14.411 0.000) 17.292 15.074 ( 0.488 7.724 0.000) 7.740 15.154 ( 2.479 6.274 0.000) 6.746 15.625 ( 0.249 -1.633 0.000) 1.652 15.631 ( 0.182 2.404 0.000) 2.411 15.879 ( 1.514 2.203 0.000) 2.674 15.948 ( -0.892 4.065 0.000) 4.162 16.445 ( -22.810 -9.759 0.000) 24.810 17.179 ( 0.622 15.525 0.000) 15.537 17.328 ( -6.664 13.610 0.000) 15.153 18.876 ( 7.216 -10.451 0.000) 12.700 19.069 ( -0.463 -19.001 0.000) 19.007 20.592 ( 1.885 6.024 0.000) 6.312 20.797 ( 1.289 1.819 0.000) 2.230 20.807 ( -4.128 6.592 0.000) 7.777 20.979 ( -2.429 7.091 0.000) 7.496 23.294 ( 0.962 -2.740 0.000) 2.904 23.491 ( -3.034 -13.596 0.000) 13.930 23.533 ( 8.481 -10.407 0.000) 13.425 23.761 ( 1.316 -20.590 0.000) 20.632======================= Grid point 22 (15/63) =======================q-point: ( 0.40 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.393 ( -3.270 10.475 0.000) 10.974 2.405 ( -4.416 18.919 0.000) 19.428 2.550 ( 3.769 15.077 0.000) 15.541 2.613 ( -0.299 10.211 0.000) 10.215 2.657 ( -0.343 12.063 0.000) 12.068 2.666 ( -3.774 10.107 0.000) 10.789 2.931 ( 3.134 7.702 0.000) 8.315 3.026 ( -6.080 12.183 0.000) 13.616 3.352 ( 3.897 6.850 0.000) 7.881 3.415 ( -1.775 6.376 0.000) 6.619 3.518 ( 6.252 4.228 0.000) 7.547 3.604 ( -1.414 -0.671 0.000) 1.565 3.637 ( 6.573 4.507 0.000) 7.970 3.752 ( -5.493 -0.014 0.000) 5.493 4.018 ( -2.722 9.386 0.000) 9.773 4.043 ( -3.509 2.270 0.000) 4.179 4.100 ( 4.757 9.385 0.000) 10.522 4.186 ( -0.860 9.108 0.000) 9.148 4.298 ( 11.296 2.100 0.000) 11.490 4.566 ( -11.916 8.487 0.000) 14.629 5.017 ( 5.738 11.937 0.000) 13.245 5.124 ( -4.018 11.289 0.000) 11.983 5.158 ( 9.316 11.086 0.000) 14.480 5.315 ( -6.427 13.104 0.000) 14.595 5.487 ( 6.456 -1.990 0.000) 6.756 5.551 ( 0.837 -2.852 0.000) 2.973 5.674 ( -2.616 3.779 0.000) 4.596 5.706 ( -5.641 4.046 0.000) 6.942 6.710 ( 4.278 2.809 0.000) 5.118 6.797 ( -5.056 6.129 0.000) 7.945 6.931 ( 4.297 8.066 0.000) 9.139 6.941 ( 3.593 10.713 0.000) 11.299 7.259 ( 6.142 2.563 0.000) 6.655 7.374 ( -1.172 3.889 0.000) 4.062 7.460 ( 0.207 4.939 0.000) 4.943 7.506 ( -0.291 11.225 0.000) 11.229 7.553 ( -4.165 11.404 0.000) 12.140 7.561 ( -4.189 19.083 0.000) 19.537 8.098 ( 1.334 19.318 0.000) 19.364 8.123 ( 4.526 19.313 0.000) 19.836 8.155 ( 3.928 25.416 0.000) 25.718 8.329 ( -8.174 25.419 0.000) 26.701 8.693 ( 2.358 9.591 0.000) 9.877 8.736 ( -2.523 10.951 0.000) 11.238 9.103 ( 0.411 3.143 0.000) 3.170 9.138 ( -2.129 -2.939 0.000) 3.629 9.332 ( -3.015 10.479 0.000) 10.904 9.344 ( -2.860 11.405 0.000) 11.758 9.591 ( 3.877 0.097 0.000) 3.878 9.595 ( 3.895 -0.074 0.000) 3.896 9.855 ( 6.866 -16.372 0.000) 17.754 9.964 ( -4.321 -24.951 0.000) 25.322 10.061 ( 9.737 6.866 0.000) 11.914 10.219 ( -4.508 2.192 0.000) 5.012 10.254 ( 0.962 -8.362 0.000) 8.417 10.258 ( 0.701 -0.393 0.000) 0.804 10.441 ( -4.022 -7.957 0.000) 8.915 10.494 ( -6.677 -0.960 0.000) 6.745 10.708 ( 6.835 -4.670 0.000) 8.278 10.851 ( -8.273 6.550 0.000) 10.552 10.988 ( 1.407 -1.200 0.000) 1.849 11.045 ( -4.982 5.466 0.000) 7.396 11.491 ( 4.135 2.961 0.000) 5.086 11.596 ( -6.997 2.631 0.000) 7.475 11.831 ( 6.577 11.663 0.000) 13.389 11.913 ( 1.148 4.992 0.000) 5.122 11.993 ( -4.084 9.532 0.000) 10.370 12.012 ( -2.617 -5.372 0.000) 5.976 12.427 ( 7.106 -9.064 0.000) 11.518 12.558 ( -7.299 -5.539 0.000) 9.162 13.169 ( 5.466 -4.136 0.000) 6.855 13.244 ( -2.648 -6.364 0.000) 6.893 14.326 ( 10.246 -5.606 0.000) 11.679 14.479 ( -4.544 -7.960 0.000) 9.165 14.502 ( 2.184 -10.238 0.000) 10.468 14.566 ( -5.741 -13.436 0.000) 14.611 15.071 ( 2.769 10.122 0.000) 10.493 15.084 ( 0.338 7.982 0.000) 7.989 15.345 ( 20.235 11.303 0.000) 23.178 15.617 ( -2.741 6.673 0.000) 7.214 15.643 ( 2.200 -3.024 0.000) 3.740 15.888 ( -19.660 -6.269 0.000) 20.635 15.910 ( 1.627 2.818 0.000) 3.254 15.955 ( -10.866 6.266 0.000) 12.544 17.198 ( 1.429 15.939 0.000) 16.003 17.238 ( -3.088 16.270 0.000) 16.560 18.992 ( 4.667 -15.632 0.000) 16.314 19.050 ( -1.784 -18.171 0.000) 18.258 20.639 ( 3.231 6.987 0.000) 7.698 20.716 ( -4.912 7.535 0.000) 8.995 20.843 ( 3.548 4.291 0.000) 5.568 20.917 ( -3.951 5.965 0.000) 7.155 23.343 ( 3.849 -6.104 0.000) 7.216 23.422 ( -4.183 -10.366 0.000) 11.178 23.684 ( 6.660 -16.326 0.000) 17.632 23.763 ( -1.726 -19.693 0.000) 19.769======================= Grid point 25 (16/63) =======================q-point: ( 0.00 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.614 ( 0.000 1.472 0.000) 1.472 2.712 ( 0.000 6.329 0.000) 6.329 2.798 ( 0.000 1.567 0.000) 1.567 2.815 ( 0.000 8.578 0.000) 8.578 2.859 ( 0.000 2.017 0.000) 2.017 2.945 ( 0.000 1.002 0.000) 1.002 3.115 ( 0.000 20.586 0.000) 20.586 3.301 ( 0.000 6.947 0.000) 6.947 3.304 ( 0.000 4.672 0.000) 4.672 3.444 ( 0.000 6.690 0.000) 6.690 3.524 ( 0.000 1.524 0.000) 1.524 3.570 ( 0.000 3.286 0.000) 3.286 3.623 ( 0.000 2.966 0.000) 2.966 3.760 ( 0.000 -0.634 0.000) 0.634 3.776 ( 0.000 -7.169 0.000) 7.169 4.082 ( 0.000 -1.882 0.000) 1.882 4.368 ( 0.000 4.568 0.000) 4.568 4.468 ( 0.000 3.539 0.000) 3.539 4.543 ( 0.000 11.847 0.000) 11.847 4.947 ( 0.000 7.033 0.000) 7.033 4.998 ( 0.000 9.298 0.000) 9.298 5.076 ( 0.000 0.388 0.000) 0.388 5.154 ( 0.000 6.147 0.000) 6.147 5.312 ( 0.000 -1.486 0.000) 1.486 5.703 ( 0.000 10.700 0.000) 10.700 5.734 ( 0.000 13.120 0.000) 13.120 5.847 ( 0.000 1.909 0.000) 1.909 5.953 ( 0.000 5.306 0.000) 5.306 6.683 ( 0.000 10.414 0.000) 10.414 6.974 ( 0.000 10.483 0.000) 10.483 6.995 ( 0.000 6.217 0.000) 6.217 7.105 ( 0.000 9.517 0.000) 9.517 7.161 ( 0.000 4.230 0.000) 4.230 7.423 ( 0.000 10.191 0.000) 10.191 7.629 ( 0.000 5.446 0.000) 5.446 7.664 ( 0.000 0.114 0.000) 0.114 7.836 ( 0.000 -1.541 0.000) 1.541 7.951 ( 0.000 9.889 0.000) 9.889 8.214 ( 0.000 13.323 0.000) 13.323 8.466 ( 0.000 11.743 0.000) 11.743 8.539 ( 0.000 15.561 0.000) 15.561 8.793 ( 0.000 6.856 0.000) 6.856 8.833 ( 0.000 -8.911 0.000) 8.911 8.877 ( 0.000 19.845 0.000) 19.845 9.137 ( 0.000 -21.646 0.000) 21.646 9.208 ( 0.000 6.191 0.000) 6.191 9.333 ( 0.000 -2.960 0.000) 2.960 9.423 ( 0.000 -1.811 0.000) 1.811 9.562 ( 0.000 -15.022 0.000) 15.022 9.584 ( 0.000 11.473 0.000) 11.473 9.715 ( 0.000 -8.736 0.000) 8.736 9.779 ( 0.000 12.785 0.000) 12.785 9.883 ( 0.000 12.863 0.000) 12.863 10.061 ( 0.000 6.246 0.000) 6.246 10.073 ( 0.000 -5.170 0.000) 5.170 10.378 ( 0.000 1.870 0.000) 1.870 10.419 ( 0.000 -6.513 0.000) 6.513 10.585 ( 0.000 7.277 0.000) 7.277 10.601 ( 0.000 -7.915 0.000) 7.915 10.857 ( 0.000 -1.368 0.000) 1.368 11.271 ( 0.000 -13.547 0.000) 13.547 11.377 ( 0.000 9.171 0.000) 9.171 11.521 ( 0.000 12.187 0.000) 12.187 11.609 ( 0.000 -26.328 0.000) 26.328 11.874 ( 0.000 11.352 0.000) 11.352 11.946 ( 0.000 1.269 0.000) 1.269 11.973 ( 0.000 6.186 0.000) 6.186 12.118 ( 0.000 11.289 0.000) 11.289 12.433 ( 0.000 8.165 0.000) 8.165 12.780 ( 0.000 -2.211 0.000) 2.211 12.921 ( 0.000 -0.183 0.000) 0.183 13.087 ( 0.000 -10.533 0.000) 10.533 13.966 ( 0.000 -5.249 0.000) 5.249 14.227 ( 0.000 -13.230 0.000) 13.230 14.313 ( 0.000 -9.275 0.000) 9.275 14.434 ( 0.000 -12.695 0.000) 12.695 15.180 ( 0.000 15.946 0.000) 15.946 15.226 ( 0.000 8.154 0.000) 8.154 15.265 ( 0.000 6.252 0.000) 6.252 15.629 ( 0.000 -1.932 0.000) 1.932 15.659 ( 0.000 5.185 0.000) 5.185 15.938 ( 0.000 3.540 0.000) 3.540 16.086 ( 0.000 6.946 0.000) 6.946 16.432 ( 0.000 -9.050 0.000) 9.050 17.515 ( 0.000 18.265 0.000) 18.265 17.661 ( 0.000 14.616 0.000) 14.616 18.592 ( 0.000 -12.775 0.000) 12.775 18.682 ( 0.000 -19.426 0.000) 19.426 20.660 ( 0.000 3.130 0.000) 3.130 20.780 ( 0.000 -1.034 0.000) 1.034 20.915 ( 0.000 1.447 0.000) 1.447 21.068 ( 0.000 -0.647 0.000) 0.647 23.259 ( 0.000 -1.554 0.000) 1.554 23.276 ( 0.000 -9.286 0.000) 9.286 23.329 ( 0.000 -3.924 0.000) 3.924 23.391 ( 0.000 -13.836 0.000) 13.836======================= Grid point 26 (17/63) =======================q-point: ( 0.20 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.571 ( -1.885 3.391 0.000) 3.880 2.720 ( 0.900 6.620 0.000) 6.681 2.791 ( 0.801 11.520 0.000) 11.548 2.833 ( -2.877 3.833 0.000) 4.793 2.899 ( 0.706 9.582 0.000) 9.608 2.932 ( 3.334 -3.895 0.000) 5.127 3.034 ( -7.301 19.288 0.000) 20.623 3.321 ( -0.248 5.954 0.000) 5.959 3.367 ( 6.262 2.701 0.000) 6.820 3.406 ( -2.071 5.490 0.000) 5.868 3.552 ( 1.900 -1.490 0.000) 2.415 3.588 ( -0.010 3.382 0.000) 3.382 3.642 ( 2.376 4.078 0.000) 4.720 3.720 ( -0.080 -4.644 0.000) 4.645 3.878 ( 7.567 -4.416 0.000) 8.761 4.083 ( -0.012 -2.705 0.000) 2.705 4.323 ( -3.015 5.923 0.000) 6.646 4.417 ( -9.282 11.134 0.000) 14.495 4.420 ( -4.749 3.225 0.000) 5.741 4.881 ( -10.808 -0.410 0.000) 10.816 5.102 ( 10.366 9.113 0.000) 13.802 5.151 ( 8.629 8.660 0.000) 12.225 5.228 ( 6.692 5.923 0.000) 8.937 5.361 ( 4.521 -0.351 0.000) 4.535 5.662 ( -3.727 8.506 0.000) 9.287 5.683 ( -4.914 12.405 0.000) 13.343 5.834 ( -1.814 2.448 0.000) 3.046 5.900 ( -5.491 5.848 0.000) 8.022 6.736 ( 5.176 10.829 0.000) 12.003 7.013 ( 3.831 9.642 0.000) 10.375 7.043 ( 4.878 7.384 0.000) 8.850 7.065 ( -4.032 9.847 0.000) 10.640 7.198 ( 3.578 2.730 0.000) 4.501 7.450 ( 2.997 9.964 0.000) 10.405 7.611 ( -3.199 3.535 0.000) 4.768 7.651 ( -1.116 0.616 0.000) 1.275 7.804 ( -2.611 0.284 0.000) 2.626 7.855 ( -7.217 9.072 0.000) 11.592 8.345 ( 10.668 12.868 0.000) 16.715 8.471 ( 0.594 13.038 0.000) 13.052 8.539 ( -0.044 16.445 0.000) 16.445 8.796 ( 0.341 5.315 0.000) 5.326 8.801 ( -2.855 -5.199 0.000) 5.932 8.875 ( -0.859 14.423 0.000) 14.448 9.132 ( -0.139 -15.270 0.000) 15.270 9.192 ( -1.420 7.227 0.000) 7.365 9.342 ( 0.578 -4.909 0.000) 4.943 9.462 ( 3.227 -4.160 0.000) 5.265 9.529 ( -3.690 -11.224 0.000) 11.815 9.582 ( -0.007 8.012 0.000) 8.012 9.660 ( -2.522 0.397 0.000) 2.553 9.759 ( -2.042 10.730 0.000) 10.923 9.946 ( 4.879 -0.125 0.000) 4.881 10.088 ( 1.470 -6.548 0.000) 6.711 10.107 ( 4.303 7.063 0.000) 8.270 10.367 ( -1.700 -1.516 0.000) 2.278 10.388 ( -3.186 -2.388 0.000) 3.981 10.545 ( -5.393 -6.489 0.000) 8.437 10.659 ( 8.348 11.550 0.000) 14.251 10.891 ( 3.571 -1.137 0.000) 3.747 11.264 ( -2.491 -9.512 0.000) 9.833 11.293 ( -7.067 9.922 0.000) 12.182 11.475 ( -4.423 8.226 0.000) 9.340 11.558 ( -4.577 -22.105 0.000) 22.574 11.927 ( 4.521 9.924 0.000) 10.905 11.944 ( 0.698 1.470 0.000) 1.627 11.971 ( -0.123 6.090 0.000) 6.091 12.164 ( 3.337 7.139 0.000) 7.881 12.407 ( -1.961 8.686 0.000) 8.905 12.686 ( -7.512 0.731 0.000) 7.547 12.986 ( 4.589 -3.403 0.000) 5.713 13.091 ( 0.295 -10.144 0.000) 10.148 14.028 ( 6.048 -6.453 0.000) 8.844 14.236 ( 0.951 -12.934 0.000) 12.969 14.304 ( -0.861 -9.673 0.000) 9.711 14.399 ( -3.684 -12.298 0.000) 12.838 15.230 ( 0.403 7.983 0.000) 7.994 15.230 ( 2.965 11.251 0.000) 11.635 15.295 ( 5.297 7.919 0.000) 9.527 15.630 ( -0.109 -2.668 0.000) 2.670 15.671 ( 1.402 6.326 0.000) 6.479 15.957 ( 1.922 3.789 0.000) 4.249 16.066 ( -2.287 6.600 0.000) 6.985 16.300 ( -12.877 -4.337 0.000) 13.587 17.523 ( 0.811 18.280 0.000) 18.298 17.632 ( -2.537 16.111 0.000) 16.309 18.619 ( 2.361 -14.598 0.000) 14.788 18.682 ( -0.066 -19.258 0.000) 19.258 20.680 ( 2.040 3.080 0.000) 3.695 20.807 ( 2.771 -0.797 0.000) 2.883 20.884 ( -3.094 1.878 0.000) 3.619 21.041 ( -2.869 -0.651 0.000) 2.942 23.249 ( -0.496 -1.646 0.000) 1.719 23.267 ( -0.709 -8.273 0.000) 8.304 23.367 ( 3.082 -6.301 0.000) 7.014 23.410 ( 1.655 -13.789 0.000) 13.887======================= Grid point 27 (18/63) =======================q-point: ( 0.40 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.598 ( 4.831 9.639 0.000) 10.782 2.715 ( -4.995 10.461 0.000) 11.593 2.776 ( 0.457 5.973 0.000) 5.990 2.815 ( 0.191 9.829 0.000) 9.830 2.846 ( -1.541 7.627 0.000) 7.781 2.902 ( -5.534 13.955 0.000) 15.012 3.068 ( 8.342 5.008 0.000) 9.730 3.226 ( -7.992 7.085 0.000) 10.681 3.438 ( 3.777 2.282 0.000) 4.413 3.475 ( 2.945 0.219 0.000) 2.953 3.551 ( -1.837 -0.536 0.000) 1.914 3.566 ( -0.749 -2.818 0.000) 2.916 3.708 ( 3.857 2.791 0.000) 4.761 3.744 ( 0.646 0.060 0.000) 0.649 4.008 ( 4.573 -5.651 0.000) 7.269 4.068 ( -2.093 -3.851 0.000) 4.383 4.291 ( -2.674 8.997 0.000) 9.386 4.320 ( -4.136 3.898 0.000) 5.683 4.362 ( 8.815 5.142 0.000) 10.205 4.621 ( -15.749 -0.851 0.000) 15.772 5.243 ( 6.759 9.835 0.000) 11.934 5.322 ( 0.483 8.188 0.000) 8.203 5.390 ( 12.898 9.373 0.000) 15.944 5.458 ( 5.755 0.587 0.000) 5.785 5.577 ( -5.293 5.402 0.000) 7.563 5.580 ( -6.028 11.414 0.000) 12.908 5.780 ( -3.197 3.190 0.000) 4.516 5.781 ( -4.951 5.375 0.000) 7.307 6.850 ( 6.456 11.253 0.000) 12.974 6.968 ( -5.988 10.733 0.000) 12.290 7.098 ( 4.402 7.854 0.000) 9.003 7.132 ( 2.139 7.856 0.000) 8.142 7.292 ( 7.531 1.605 0.000) 7.701 7.465 ( -8.202 3.900 0.000) 9.082 7.548 ( 3.761 6.736 0.000) 7.715 7.627 ( -2.366 4.477 0.000) 5.064 7.745 ( -2.858 5.291 0.000) 6.013 7.758 ( -2.367 2.288 0.000) 3.292 8.489 ( 1.268 15.681 0.000) 15.733 8.503 ( 1.468 15.701 0.000) 15.770 8.578 ( 7.994 10.849 0.000) 13.476 8.724 ( -5.859 0.286 0.000) 5.866 8.808 ( 1.087 3.342 0.000) 3.514 8.841 ( -2.306 8.038 0.000) 8.362 9.141 ( 1.085 -1.984 0.000) 2.261 9.165 ( -1.363 6.900 0.000) 7.034 9.354 ( 1.295 -7.213 0.000) 7.328 9.414 ( -5.132 -8.724 0.000) 10.121 9.546 ( 3.026 -1.926 0.000) 3.587 9.580 ( -0.663 1.383 0.000) 1.534 9.662 ( 2.098 1.569 0.000) 2.619 9.712 ( -2.759 5.730 0.000) 6.360 10.047 ( 5.812 -5.979 0.000) 8.339 10.114 ( 0.205 -7.543 0.000) 7.546 10.186 ( 3.294 2.089 0.000) 3.900 10.256 ( -6.127 -6.272 0.000) 8.768 10.388 ( 0.874 6.690 0.000) 6.746 10.436 ( -4.922 -0.908 0.000) 5.006 10.862 ( 12.260 12.197 0.000) 17.294 10.999 ( 8.315 2.493 0.000) 8.680 11.090 ( -11.729 10.675 0.000) 15.859 11.180 ( -9.177 3.722 0.000) 9.903 11.424 ( 0.408 -7.648 0.000) 7.659 11.472 ( -4.016 -15.880 0.000) 16.379 11.951 ( 0.899 2.971 0.000) 3.105 11.966 ( -0.564 4.638 0.000) 4.672 12.049 ( 6.927 7.321 0.000) 10.078 12.164 ( -4.207 5.457 0.000) 6.890 12.422 ( 4.473 6.986 0.000) 8.295 12.542 ( -7.496 3.610 0.000) 8.320 13.058 ( 2.826 -6.633 0.000) 7.210 13.090 ( -0.660 -8.896 0.000) 8.920 14.162 ( 7.592 -8.732 0.000) 11.570 14.260 ( 1.488 -12.114 0.000) 12.205 14.279 ( -2.519 -10.327 0.000) 10.630 14.306 ( -5.335 -11.382 0.000) 12.571 15.240 ( 0.597 7.594 0.000) 7.618 15.247 ( -0.068 7.552 0.000) 7.553 15.478 ( 11.357 0.700 0.000) 11.378 15.610 ( -2.733 -4.803 0.000) 5.526 15.727 ( 5.863 11.191 0.000) 12.634 15.939 ( -13.878 8.030 0.000) 16.034 16.005 ( 3.022 4.595 0.000) 5.500 16.077 ( -6.073 4.964 0.000) 7.844 17.546 ( 1.620 18.230 0.000) 18.301 17.584 ( -2.412 17.730 0.000) 17.893 18.659 ( 1.602 -17.205 0.000) 17.280 18.677 ( -0.481 -18.645 0.000) 18.651 20.734 ( 3.659 3.042 0.000) 4.758 20.811 ( -4.338 2.664 0.000) 5.091 20.878 ( 4.622 -0.592 0.000) 4.660 20.968 ( -4.643 -0.623 0.000) 4.685 23.247 ( 0.262 -3.322 0.000) 3.333 23.255 ( -0.553 -5.930 0.000) 5.956 23.418 ( 2.024 -10.146 0.000) 10.346 23.434 ( 0.420 -12.833 0.000) 12.840======================= Grid point 30 (19/63) =======================q-point: ( 0.00 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.622 ( 0.000 1.458 0.000) 1.458 2.700 ( 0.000 -6.040 0.000) 6.040 2.812 ( 0.000 3.718 0.000) 3.718 2.864 ( 0.000 -1.367 0.000) 1.367 2.979 ( 0.000 5.803 0.000) 5.803 3.020 ( 0.000 1.903 0.000) 1.903 3.388 ( 0.000 3.855 0.000) 3.855 3.417 ( 0.000 5.829 0.000) 5.829 3.445 ( 0.000 7.607 0.000) 7.607 3.511 ( 0.000 0.354 0.000) 0.354 3.529 ( 0.000 1.516 0.000) 1.516 3.611 ( 0.000 -8.598 0.000) 8.598 3.641 ( 0.000 3.671 0.000) 3.671 3.715 ( 0.000 -3.352 0.000) 3.352 3.737 ( 0.000 8.917 0.000) 8.917 3.953 ( 0.000 -10.151 0.000) 10.151 4.452 ( 0.000 3.381 0.000) 3.381 4.494 ( 0.000 -0.615 0.000) 0.615 4.732 ( 0.000 8.687 0.000) 8.687 4.903 ( 0.000 -7.496 0.000) 7.496 5.152 ( 0.000 4.346 0.000) 4.346 5.154 ( 0.000 3.774 0.000) 3.774 5.267 ( 0.000 4.128 0.000) 4.128 5.307 ( 0.000 -0.184 0.000) 0.184 5.859 ( 0.000 4.410 0.000) 4.410 5.887 ( 0.000 1.128 0.000) 1.128 5.935 ( 0.000 6.695 0.000) 6.695 6.005 ( 0.000 -0.311 0.000) 0.311 6.981 ( 0.000 15.426 0.000) 15.426 7.095 ( 0.000 2.443 0.000) 2.443 7.179 ( 0.000 8.481 0.000) 8.481 7.248 ( 0.000 2.690 0.000) 2.690 7.256 ( 0.000 6.660 0.000) 6.660 7.518 ( 0.000 -14.404 0.000) 14.404 7.673 ( 0.000 8.498 0.000) 8.498 7.685 ( 0.000 1.162 0.000) 1.162 7.816 ( 0.000 7.191 0.000) 7.191 8.116 ( 0.000 6.855 0.000) 6.855 8.220 ( 0.000 -24.499 0.000) 24.499 8.251 ( 0.000 -6.401 0.000) 6.401 8.870 ( 0.000 16.204 0.000) 16.204 8.889 ( 0.000 2.552 0.000) 2.552 8.913 ( 0.000 -0.704 0.000) 0.704 8.987 ( 0.000 16.865 0.000) 16.865 9.182 ( 0.000 -12.316 0.000) 12.316 9.185 ( 0.000 9.429 0.000) 9.429 9.311 ( 0.000 1.673 0.000) 1.673 9.313 ( 0.000 -9.472 0.000) 9.472 9.410 ( 0.000 -2.109 0.000) 2.109 9.481 ( 0.000 -8.943 0.000) 8.943 9.786 ( 0.000 7.795 0.000) 7.795 9.888 ( 0.000 -1.637 0.000) 1.637 10.058 ( 0.000 4.937 0.000) 4.937 10.125 ( 0.000 10.942 0.000) 10.942 10.215 ( 0.000 -9.944 0.000) 9.944 10.282 ( 0.000 2.566 0.000) 2.566 10.485 ( 0.000 6.587 0.000) 6.587 10.540 ( 0.000 13.167 0.000) 13.167 10.740 ( 0.000 0.914 0.000) 0.914 10.865 ( 0.000 -22.720 0.000) 22.720 10.888 ( 0.000 3.818 0.000) 3.818 11.090 ( 0.000 -21.066 0.000) 21.066 11.556 ( 0.000 8.140 0.000) 8.140 11.657 ( 0.000 -0.170 0.000) 0.170 12.022 ( 0.000 3.714 0.000) 3.714 12.032 ( 0.000 3.481 0.000) 3.481 12.125 ( 0.000 7.917 0.000) 7.917 12.239 ( 0.000 -1.171 0.000) 1.171 12.600 ( 0.000 10.931 0.000) 10.931 12.793 ( 0.000 3.715 0.000) 3.715 12.852 ( 0.000 -12.683 0.000) 12.683 12.885 ( 0.000 -3.834 0.000) 3.834 13.908 ( 0.000 0.562 0.000) 0.562 14.000 ( 0.000 -8.381 0.000) 8.381 14.192 ( 0.000 -1.992 0.000) 1.992 14.238 ( 0.000 -6.328 0.000) 6.328 15.368 ( 0.000 3.366 0.000) 3.366 15.375 ( 0.000 3.531 0.000) 3.531 15.396 ( 0.000 8.340 0.000) 8.340 15.546 ( 0.000 -6.116 0.000) 6.116 15.820 ( 0.000 9.207 0.000) 9.207 15.952 ( 0.000 -2.912 0.000) 2.912 16.211 ( 0.000 5.188 0.000) 5.188 16.303 ( 0.000 -4.569 0.000) 4.569 17.899 ( 0.000 19.443 0.000) 19.443 17.975 ( 0.000 16.122 0.000) 16.122 18.291 ( 0.000 -19.392 0.000) 19.392 18.299 ( 0.000 -15.714 0.000) 15.714 20.711 ( 0.000 2.108 0.000) 2.108 20.750 ( 0.000 -1.818 0.000) 1.818 20.944 ( 0.000 2.179 0.000) 2.179 21.010 ( 0.000 -4.002 0.000) 4.002 23.158 ( 0.000 -2.205 0.000) 2.205 23.193 ( 0.000 -5.720 0.000) 5.720 23.244 ( 0.000 0.162 0.000) 0.162 23.267 ( 0.000 -2.167 0.000) 2.167======================= Grid point 31 (20/63) =======================q-point: ( 0.20 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.655 ( 4.493 5.452 0.000) 7.065 2.793 ( 7.501 -7.756 0.000) 10.790 2.821 ( 0.974 3.527 0.000) 3.659 2.863 ( -0.180 -0.514 0.000) 0.544 2.979 ( 0.316 5.915 0.000) 5.924 3.020 ( 0.696 2.092 0.000) 2.205 3.344 ( -5.909 9.648 0.000) 11.314 3.424 ( 0.743 4.741 0.000) 4.799 3.451 ( 0.819 5.479 0.000) 5.540 3.456 ( -5.502 -1.136 0.000) 5.618 3.509 ( -0.891 -1.921 0.000) 2.117 3.572 ( -3.082 -5.529 0.000) 6.330 3.693 ( 4.715 2.883 0.000) 5.527 3.750 ( 1.261 7.531 0.000) 7.636 3.777 ( 5.093 -4.995 0.000) 7.134 3.944 ( -0.943 -9.984 0.000) 10.028 4.418 ( -2.529 3.332 0.000) 4.183 4.452 ( -3.572 -0.043 0.000) 3.572 4.615 ( -9.338 9.101 0.000) 13.039 4.784 ( -10.471 -7.300 0.000) 12.765 5.253 ( 8.527 4.938 0.000) 9.854 5.280 ( 10.387 2.640 0.000) 10.717 5.332 ( 6.074 3.725 0.000) 7.125 5.367 ( 5.570 -0.016 0.000) 5.570 5.809 ( -4.367 5.587 0.000) 7.091 5.869 ( -2.388 -0.103 0.000) 2.391 5.883 ( -5.164 7.115 0.000) 8.792 5.959 ( -4.797 -0.325 0.000) 4.808 7.036 ( 5.003 15.599 0.000) 16.382 7.158 ( 6.381 2.719 0.000) 6.936 7.192 ( 1.332 6.840 0.000) 6.968 7.226 ( -2.037 4.190 0.000) 4.659 7.260 ( 0.372 5.092 0.000) 5.105 7.514 ( 0.118 -14.036 0.000) 14.037 7.649 ( -3.878 2.449 0.000) 4.587 7.694 ( 0.538 4.225 0.000) 4.259 7.800 ( -0.505 9.877 0.000) 9.889 8.048 ( -5.437 10.763 0.000) 12.059 8.226 ( 0.919 -24.638 0.000) 24.655 8.292 ( 2.272 -12.631 0.000) 12.834 8.863 ( -0.091 11.435 0.000) 11.435 8.920 ( 3.201 9.369 0.000) 9.901 8.964 ( -2.201 16.322 0.000) 16.470 8.974 ( 5.589 -0.694 0.000) 5.632 9.148 ( -3.528 7.074 0.000) 7.905 9.199 ( 1.663 -11.247 0.000) 11.369 9.284 ( -1.200 -3.021 0.000) 3.251 9.309 ( -2.289 -4.663 0.000) 5.194 9.445 ( 4.122 0.528 0.000) 4.156 9.535 ( 4.755 -7.719 0.000) 9.066 9.740 ( -4.356 7.107 0.000) 8.335 9.844 ( -4.276 -2.227 0.000) 4.821 10.063 ( 0.677 4.053 0.000) 4.109 10.101 ( -1.946 10.299 0.000) 10.482 10.190 ( -2.539 -8.247 0.000) 8.629 10.256 ( -2.949 -1.157 0.000) 3.167 10.497 ( 1.446 9.996 0.000) 10.100 10.566 ( 1.726 13.737 0.000) 13.845 10.813 ( 6.468 -1.580 0.000) 6.658 10.877 ( 1.190 -22.274 0.000) 22.305 10.933 ( 5.521 4.141 0.000) 6.901 11.089 ( 0.666 -18.473 0.000) 18.485 11.489 ( -6.992 8.354 0.000) 10.894 11.590 ( -7.135 -0.204 0.000) 7.138 12.026 ( 0.843 4.497 0.000) 4.575 12.058 ( 2.617 2.185 0.000) 3.409 12.119 ( -0.768 7.761 0.000) 7.799 12.236 ( -0.658 -2.156 0.000) 2.255 12.600 ( 0.332 11.998 0.000) 12.002 12.756 ( -3.401 6.166 0.000) 7.041 12.860 ( 0.853 -12.679 0.000) 12.708 12.893 ( 0.498 -6.172 0.000) 6.192 13.947 ( 3.821 -0.600 0.000) 3.868 14.019 ( 1.949 -7.669 0.000) 7.913 14.174 ( -1.920 -2.540 0.000) 3.183 14.210 ( -2.915 -5.948 0.000) 6.624 15.369 ( 0.340 4.146 0.000) 4.160 15.393 ( -0.287 7.920 0.000) 7.925 15.401 ( 2.384 1.414 0.000) 2.772 15.537 ( -0.965 -6.134 0.000) 6.210 15.851 ( 3.352 9.382 0.000) 9.963 15.978 ( 2.661 -2.494 0.000) 3.647 16.182 ( -3.061 4.457 0.000) 5.407 16.245 ( -5.655 -2.149 0.000) 6.050 17.905 ( 0.645 19.302 0.000) 19.312 17.966 ( -0.898 16.765 0.000) 16.789 18.294 ( 0.293 -19.228 0.000) 19.230 18.303 ( 0.280 -16.451 0.000) 16.454 20.731 ( 2.092 2.242 0.000) 3.067 20.775 ( 2.544 -2.087 0.000) 3.291 20.919 ( -2.536 2.306 0.000) 3.428 20.985 ( -2.628 -3.855 0.000) 4.666 23.167 ( 0.895 -1.541 0.000) 1.782 23.211 ( 1.665 -6.002 0.000) 6.229 23.235 ( -0.807 0.447 0.000) 0.923 23.271 ( 0.194 -3.225 0.000) 3.231======================= Grid point 32 (21/63) =======================q-point: ( 0.40 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.773 ( 6.487 7.394 0.000) 9.836 2.842 ( -0.060 3.062 0.000) 3.062 2.854 ( 0.043 1.723 0.000) 1.723 2.873 ( 0.063 -1.817 0.000) 1.818 3.022 ( 4.946 7.156 0.000) 8.699 3.107 ( 9.327 -1.236 0.000) 9.408 3.177 ( -10.429 11.401 0.000) 15.451 3.300 ( -9.918 -0.339 0.000) 9.924 3.461 ( 2.146 0.671 0.000) 2.248 3.474 ( 1.257 0.888 0.000) 1.539 3.501 ( -0.448 -3.202 0.000) 3.233 3.516 ( -2.658 -2.538 0.000) 3.675 3.772 ( 2.565 2.926 0.000) 3.891 3.777 ( 1.294 4.885 0.000) 5.053 3.869 ( 4.092 -6.638 0.000) 7.798 3.921 ( -1.648 -8.749 0.000) 8.903 4.395 ( 0.046 3.249 0.000) 3.249 4.426 ( 3.393 0.663 0.000) 3.458 4.456 ( -6.556 7.209 0.000) 9.744 4.572 ( -10.903 -4.092 0.000) 11.646 5.404 ( 6.682 5.847 0.000) 8.879 5.443 ( 3.548 3.650 0.000) 5.091 5.469 ( 7.250 -0.397 0.000) 7.261 5.473 ( 4.808 0.264 0.000) 4.815 5.731 ( -2.434 7.254 0.000) 7.652 5.773 ( -5.476 7.046 0.000) 8.924 5.813 ( -2.423 -0.727 0.000) 2.530 5.845 ( -6.034 0.092 0.000) 6.034 7.123 ( 3.674 13.139 0.000) 13.643 7.179 ( -2.648 8.041 0.000) 8.466 7.226 ( 2.058 3.622 0.000) 4.166 7.258 ( -0.865 1.480 0.000) 1.714 7.320 ( 10.295 5.262 0.000) 11.562 7.516 ( -9.681 4.073 0.000) 10.503 7.556 ( 4.738 -11.512 0.000) 12.449 7.658 ( -4.717 -6.051 0.000) 7.672 7.840 ( 4.503 15.984 0.000) 16.606 7.941 ( -5.832 14.865 0.000) 15.968 8.260 ( 2.534 -23.465 0.000) 23.601 8.302 ( -1.290 -19.951 0.000) 19.992 8.878 ( 1.610 13.950 0.000) 14.043 8.918 ( -2.486 15.379 0.000) 15.579 8.990 ( 4.117 7.050 0.000) 8.164 9.071 ( -4.425 5.713 0.000) 7.227 9.105 ( 7.685 0.088 0.000) 7.685 9.234 ( -5.647 -2.441 0.000) 6.152 9.235 ( 1.849 -7.883 0.000) 8.097 9.263 ( -1.195 -4.108 0.000) 4.278 9.541 ( 5.571 2.720 0.000) 6.199 9.636 ( 5.784 -5.355 0.000) 7.882 9.644 ( -5.467 5.186 0.000) 7.535 9.746 ( -5.812 -3.448 0.000) 6.757 10.079 ( 0.098 6.183 0.000) 6.184 10.085 ( 1.062 2.469 0.000) 2.688 10.140 ( -1.371 -4.004 0.000) 4.232 10.182 ( -4.268 -3.044 0.000) 5.242 10.536 ( 2.395 12.602 0.000) 12.827 10.573 ( -1.115 13.303 0.000) 13.350 10.901 ( 1.136 -20.481 0.000) 20.512 10.903 ( 1.815 -13.597 0.000) 13.718 11.098 ( 10.928 5.273 0.000) 12.134 11.174 ( 9.755 -5.737 0.000) 11.317 11.312 ( -11.241 7.615 0.000) 13.578 11.401 ( -12.385 -0.449 0.000) 12.393 12.055 ( 2.105 5.737 0.000) 6.111 12.094 ( -1.827 7.000 0.000) 7.235 12.125 ( 4.248 -0.213 0.000) 4.253 12.200 ( -3.279 -2.311 0.000) 4.011 12.625 ( 2.420 12.348 0.000) 12.582 12.685 ( -3.788 9.932 0.000) 10.630 12.880 ( 1.079 -11.977 0.000) 12.025 12.895 ( -0.407 -9.713 0.000) 9.721 14.036 ( 5.300 -2.809 0.000) 5.998 14.068 ( 3.097 -5.994 0.000) 6.747 14.124 ( -3.316 -3.900 0.000) 5.119 14.136 ( -4.604 -4.890 0.000) 6.716 15.378 ( 0.491 5.263 0.000) 5.286 15.386 ( -0.412 6.732 0.000) 6.745 15.455 ( 3.099 -2.460 0.000) 3.957 15.507 ( -2.250 -5.346 0.000) 5.800 15.945 ( 6.580 8.631 0.000) 10.853 16.046 ( 4.359 -1.195 0.000) 4.520 16.084 ( -7.471 5.290 0.000) 9.154 16.134 ( -5.131 0.380 0.000) 5.145 17.922 ( 1.121 18.837 0.000) 18.870 17.945 ( -1.257 17.950 0.000) 17.994 18.301 ( 0.366 -18.717 0.000) 18.720 18.305 ( -0.053 -17.767 0.000) 17.767 20.785 ( 3.575 2.468 0.000) 4.344 20.839 ( 4.112 -2.729 0.000) 4.935 20.857 ( -3.841 2.497 0.000) 4.581 20.919 ( -4.166 -3.405 0.000) 5.381 23.190 ( 1.432 -0.408 0.000) 1.489 23.215 ( -1.249 0.360 0.000) 1.300 23.245 ( 1.704 -5.969 0.000) 6.207 23.268 ( -0.693 -4.931 0.000) 4.979======================= Grid point 65 (22/63) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.640 ( 0.000 0.000 29.244) 29.244 0.778 ( 0.000 0.000 34.274) 34.274 1.207 ( 0.000 0.000 50.218) 50.218 1.867 ( 0.000 0.000 -20.355) 20.355 1.958 ( 0.000 0.000 5.809) 5.809 2.054 ( 0.000 0.000 -23.138) 23.138 2.343 ( 0.000 0.000 1.714) 1.714 2.667 ( 0.000 0.000 4.843) 4.843 2.718 ( 0.000 0.000 2.108) 2.108 2.784 ( 0.000 0.000 8.455) 8.455 2.796 ( 0.000 0.000 -10.451) 10.451 3.024 ( 0.000 0.000 -1.255) 1.255 3.227 ( 0.000 0.000 -4.289) 4.289 3.278 ( 0.000 0.000 1.312) 1.312 3.282 ( 0.000 0.000 -5.748) 5.748 3.283 ( 0.000 0.000 9.199) 9.199 3.315 ( 0.000 0.000 -0.030) 0.030 3.571 ( 0.000 0.000 11.633) 11.633 3.575 ( 0.000 0.000 -14.563) 14.563 4.150 ( 0.000 0.000 -6.156) 6.156 4.274 ( 0.000 0.000 0.902) 0.902 4.336 ( 0.000 0.000 -1.407) 1.407 4.440 ( 0.000 0.000 10.837) 10.837 4.654 ( 0.000 0.000 1.663) 1.663 4.721 ( 0.000 0.000 -0.732) 0.732 4.729 ( 0.000 0.000 -1.143) 1.143 4.765 ( 0.000 0.000 1.174) 1.174 4.961 ( 0.000 0.000 -2.620) 2.620 5.554 ( 0.000 0.000 -3.186) 3.186 5.631 ( 0.000 0.000 -9.074) 9.074 6.103 ( 0.000 0.000 2.649) 2.649 6.171 ( 0.000 0.000 -2.957) 2.957 6.569 ( 0.000 0.000 1.656) 1.656 6.839 ( 0.000 0.000 -6.232) 6.232 6.955 ( 0.000 0.000 0.463) 0.463 7.003 ( 0.000 0.000 -1.190) 1.190 7.159 ( 0.000 0.000 0.136) 0.136 7.202 ( 0.000 0.000 -9.332) 9.332 7.648 ( 0.000 0.000 5.446) 5.446 7.765 ( 0.000 0.000 4.957) 4.957 7.914 ( 0.000 0.000 1.524) 1.524 8.127 ( 0.000 0.000 -10.059) 10.059 8.224 ( 0.000 0.000 2.152) 2.152 8.318 ( 0.000 0.000 -1.244) 1.244 8.515 ( 0.000 0.000 5.547) 5.547 8.668 ( 0.000 0.000 15.245) 15.245 8.823 ( 0.000 0.000 -5.367) 5.367 9.122 ( 0.000 0.000 -4.674) 4.674 9.154 ( 0.000 0.000 5.184) 5.184 9.466 ( 0.000 0.000 -3.663) 3.663 9.519 ( 0.000 0.000 -1.020) 1.020 9.600 ( 0.000 0.000 -7.066) 7.066 9.824 ( 0.000 0.000 1.781) 1.781 9.854 ( 0.000 0.000 1.050) 1.050 9.929 ( 0.000 0.000 3.764) 3.764 10.099 ( 0.000 0.000 -4.577) 4.577 10.372 ( 0.000 0.000 0.738) 0.738 10.459 ( 0.000 0.000 -2.639) 2.639 10.499 ( 0.000 0.000 11.608) 11.608 10.962 ( 0.000 0.000 0.740) 0.740 11.030 ( 0.000 0.000 2.731) 2.731 11.135 ( 0.000 0.000 11.030) 11.030 11.246 ( 0.000 0.000 -5.966) 5.966 11.774 ( 0.000 0.000 11.167) 11.167 11.875 ( 0.000 0.000 -15.986) 15.986 12.613 ( 0.000 0.000 -24.030) 24.030 12.652 ( 0.000 0.000 10.432) 10.432 12.715 ( 0.000 0.000 10.422) 10.422 13.007 ( 0.000 0.000 0.220) 0.220 13.093 ( 0.000 0.000 -2.601) 2.601 13.192 ( 0.000 0.000 -9.329) 9.329 13.225 ( 0.000 0.000 -8.113) 8.113 13.278 ( 0.000 0.000 4.459) 4.459 13.464 ( 0.000 0.000 -2.942) 2.942 14.005 ( 0.000 0.000 4.761) 4.761 14.234 ( 0.000 0.000 -3.884) 3.884 14.489 ( 0.000 0.000 1.651) 1.651 14.635 ( 0.000 0.000 -4.974) 4.974 14.900 ( 0.000 0.000 12.391) 12.391 15.350 ( 0.000 0.000 -5.487) 5.487 16.353 ( 0.000 0.000 2.656) 2.656 16.373 ( 0.000 0.000 2.782) 2.782 16.491 ( 0.000 0.000 -2.292) 2.292 16.513 ( 0.000 0.000 -2.294) 2.294 16.895 ( 0.000 0.000 28.480) 28.480 18.005 ( 0.000 0.000 -13.428) 13.428 19.392 ( 0.000 0.000 -0.512) 0.512 19.433 ( 0.000 0.000 -2.347) 2.347 20.041 ( 0.000 0.000 3.511) 3.511 20.346 ( 0.000 0.000 -9.452) 9.452 20.912 ( 0.000 0.000 7.573) 7.573 21.139 ( 0.000 0.000 -2.370) 2.370 23.477 ( 0.000 0.000 5.452) 5.452 23.893 ( 0.000 0.000 -11.546) 11.546 24.735 ( 0.000 0.000 12.838) 12.838 25.244 ( 0.000 0.000 -7.445) 7.445======================= Grid point 66 (23/63) =======================q-point: ( 0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.740 ( 14.809 0.000 17.432) 22.873 0.985 ( 19.646 0.000 25.923) 32.526 1.593 ( 30.949 0.000 34.307) 46.204 1.764 ( -3.544 0.000 -14.139) 14.576 2.017 ( 1.265 0.000 2.549) 2.845 2.073 ( -0.058 0.000 -18.489) 18.489 2.169 ( -15.940 0.000 3.382) 16.295 2.473 ( -13.771 0.000 4.209) 14.400 2.670 ( -4.454 0.000 -0.683) 4.506 2.748 ( -2.623 0.000 0.451) 2.661 2.767 ( -5.631 0.000 -1.145) 5.746 2.977 ( -1.776 0.000 3.565) 3.982 3.149 ( -4.426 0.000 1.021) 4.542 3.232 ( 2.542 0.000 -2.727) 3.728 3.385 ( 6.873 0.000 -1.061) 6.954 3.408 ( 6.405 0.000 -0.787) 6.454 3.434 ( -4.316 0.000 5.769) 7.205 3.572 ( 11.056 0.000 7.238) 13.215 3.742 ( 14.408 0.000 -13.148) 19.506 4.061 ( -17.830 0.000 -5.917) 18.786 4.323 ( 4.824 0.000 0.652) 4.868 4.369 ( 3.547 0.000 -1.089) 3.711 4.388 ( 3.119 0.000 8.861) 9.394 4.591 ( -7.962 0.000 1.811) 8.165 4.625 ( -3.039 0.000 1.535) 3.405 4.694 ( -3.671 0.000 -1.053) 3.819 4.769 ( 2.497 0.000 -2.773) 3.732 5.037 ( 0.613 0.000 -4.628) 4.669 5.402 ( -7.740 0.000 0.395) 7.750 5.780 ( -5.513 0.000 -6.799) 8.753 5.911 ( 0.675 0.000 5.331) 5.373 6.146 ( -1.949 0.000 -3.146) 3.701 6.662 ( 8.539 0.000 2.774) 8.978 6.950 ( 1.490 0.000 -2.538) 2.943 7.018 ( 2.655 0.000 -0.955) 2.822 7.118 ( 10.620 0.000 -5.464) 11.943 7.267 ( 8.485 0.000 -9.675) 12.868 7.290 ( 6.269 0.000 -4.493) 7.712 7.502 ( -6.076 0.000 8.954) 10.821 7.758 ( -2.007 0.000 3.246) 3.816 7.963 ( 5.017 0.000 -1.673) 5.288 8.178 ( 0.809 0.000 -8.580) 8.618 8.230 ( 0.680 0.000 1.999) 2.111 8.303 ( -1.390 0.000 -0.370) 1.438 8.552 ( 3.675 0.000 4.497) 5.808 8.779 ( 11.156 0.000 -0.921) 11.194 8.802 ( -2.368 0.000 -3.542) 4.261 9.082 ( -3.889 0.000 -4.236) 5.750 9.164 ( 1.272 0.000 3.377) 3.608 9.402 ( -5.148 0.000 -2.732) 5.828 9.547 ( 1.601 0.000 -2.423) 2.904 9.600 ( -0.117 0.000 -6.452) 6.453 9.703 ( -18.248 0.000 4.951) 18.908 9.835 ( 1.081 0.000 1.976) 2.252 9.862 ( 0.682 0.000 1.248) 1.422 10.020 ( -9.989 0.000 -9.188) 13.572 10.380 ( 0.828 0.000 0.300) 0.880 10.451 ( -0.865 0.000 -2.422) 2.572 10.458 ( -0.406 0.000 14.819) 14.825 10.910 ( 1.050 0.000 1.465) 1.802 10.965 ( -8.551 0.000 -3.817) 9.365 11.180 ( -4.884 0.000 -3.080) 5.774 11.345 ( 16.242 0.000 15.735) 22.614 11.773 ( 3.413 0.000 2.418) 4.183 12.228 ( 21.615 0.000 -13.807) 25.648 12.635 ( 1.901 0.000 -21.669) 21.752 12.658 ( 0.624 0.000 10.420) 10.438 12.709 ( -0.633 0.000 10.409) 10.428 12.936 ( -5.339 0.000 -1.964) 5.689 13.035 ( -5.426 0.000 -5.661) 7.841 13.196 ( 0.341 0.000 -9.201) 9.207 13.222 ( -0.302 0.000 -8.220) 8.226 13.329 ( 4.839 0.000 6.156) 7.830 13.570 ( 8.197 0.000 -1.852) 8.404 13.951 ( -5.425 0.000 11.447) 12.668 14.168 ( -4.632 0.000 -1.050) 4.749 14.483 ( -1.859 0.000 -0.258) 1.877 14.592 ( -2.758 0.000 -5.520) 6.171 14.893 ( 1.438 0.000 11.304) 11.395 15.292 ( -6.008 0.000 -3.187) 6.801 16.355 ( 0.182 0.000 2.665) 2.671 16.371 ( -0.206 0.000 2.764) 2.771 16.493 ( 0.238 0.000 -2.286) 2.298 16.511 ( -0.206 0.000 -2.290) 2.300 16.923 ( 3.139 0.000 30.412) 30.574 17.667 ( -28.222 0.000 27.346) 39.298 19.388 ( -2.210 0.000 -3.509) 4.147 19.434 ( 2.234 0.000 -1.418) 2.646 19.850 ( -17.961 0.000 12.603) 21.941 20.227 ( -23.908 0.000 7.596) 25.086 20.319 ( -5.972 0.000 1.799) 6.237 20.755 ( -20.313 0.000 -1.676) 20.382 23.656 ( 15.996 0.000 6.857) 17.404 24.279 ( 4.868 0.000 -17.809) 18.463 25.034 ( 22.710 0.000 -5.547) 23.377 25.343 ( 8.301 0.000 -11.968) 14.565======================= Grid point 67 (24/63) =======================q-point: ( 0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( 25.343 0.000 0.429) 25.347 1.420 ( 25.118 0.000 15.253) 29.386 1.580 ( -17.009 0.000 -13.423) 21.668 1.872 ( -21.233 0.000 4.734) 21.755 1.878 ( -3.487 0.000 0.638) 3.545 1.916 ( -6.372 0.000 1.900) 6.649 2.402 ( 6.642 0.000 -11.606) 13.372 2.410 ( 39.773 0.000 23.674) 46.285 2.589 ( -11.350 0.000 -10.618) 15.542 2.642 ( 2.910 0.000 4.223) 5.128 2.688 ( -4.155 0.000 7.511) 8.584 2.997 ( 3.005 0.000 7.013) 7.630 3.068 ( -4.229 0.000 4.741) 6.353 3.147 ( -28.514 0.000 14.396) 31.942 3.344 ( 6.157 0.000 -1.889) 6.440 3.482 ( 3.136 0.000 -1.354) 3.416 3.494 ( 2.120 0.000 -1.299) 2.486 3.522 ( -14.781 0.000 -4.977) 15.596 3.915 ( 10.394 0.000 -2.633) 10.723 3.996 ( 6.428 0.000 -5.204) 8.271 4.431 ( 6.123 0.000 0.533) 6.146 4.465 ( 6.267 0.000 -0.810) 6.319 4.503 ( 2.612 0.000 -1.108) 2.838 4.546 ( -4.947 0.000 1.218) 5.095 4.590 ( 7.180 0.000 -5.522) 9.058 4.598 ( -6.341 0.000 -0.772) 6.388 4.728 ( -2.372 0.000 -6.374) 6.801 4.922 ( -11.855 0.000 -3.903) 12.481 5.365 ( 4.798 0.000 7.564) 8.957 5.539 ( -12.568 0.000 7.549) 14.661 6.048 ( 6.254 0.000 -6.897) 9.310 6.117 ( -1.691 0.000 -4.869) 5.154 6.819 ( 7.714 0.000 1.498) 7.858 6.940 ( -4.096 0.000 -1.071) 4.234 7.039 ( 2.372 0.000 0.801) 2.504 7.143 ( -8.064 0.000 -1.928) 8.291 7.371 ( 12.669 0.000 -1.170) 12.722 7.484 ( 10.957 0.000 -5.528) 12.273 7.544 ( -0.778 0.000 1.785) 1.947 7.663 ( -7.573 0.000 2.132) 7.868 8.051 ( 5.945 0.000 0.007) 5.945 8.166 ( -2.784 0.000 1.245) 3.050 8.248 ( 1.207 0.000 1.542) 1.958 8.274 ( -1.516 0.000 0.769) 1.700 8.638 ( 5.221 0.000 2.629) 5.846 8.734 ( -4.698 0.000 -0.016) 4.698 8.945 ( 3.496 0.000 -8.143) 8.862 9.005 ( -4.048 0.000 -4.617) 6.140 9.210 ( 3.775 0.000 0.090) 3.776 9.299 ( -5.439 0.000 -1.899) 5.761 9.501 ( 2.953 0.000 -6.670) 7.294 9.572 ( 1.213 0.000 -3.793) 3.982 9.592 ( -0.806 0.000 -5.177) 5.239 9.742 ( -17.274 0.000 -14.994) 22.874 9.858 ( 1.092 0.000 2.072) 2.342 9.870 ( -0.077 0.000 1.738) 1.740 10.401 ( 1.412 0.000 -0.730) 1.590 10.429 ( -1.427 0.000 -1.761) 2.266 10.553 ( 9.474 0.000 11.863) 15.182 10.763 ( -11.874 0.000 3.151) 12.285 10.984 ( 5.416 0.000 -0.513) 5.440 11.088 ( -5.272 0.000 -2.241) 5.729 11.626 ( 12.767 0.000 15.773) 20.293 11.787 ( -3.685 0.000 9.373) 10.072 12.524 ( 10.344 0.000 -12.981) 16.599 12.644 ( -2.502 0.000 -15.183) 15.388 12.674 ( 1.011 0.000 10.397) 10.446 12.693 ( -1.016 0.000 10.391) 10.441 12.874 ( -0.036 0.000 -8.440) 8.440 12.929 ( -5.013 0.000 -8.995) 10.298 13.204 ( 0.530 0.000 -8.880) 8.896 13.214 ( -0.506 0.000 -8.507) 8.522 13.445 ( 7.362 0.000 9.141) 11.737 13.591 ( -6.845 0.000 10.286) 12.356 13.959 ( 7.777 0.000 1.636) 7.947 14.092 ( -4.853 0.000 -1.933) 5.224 14.460 ( 1.144 0.000 -3.862) 4.027 14.527 ( -4.623 0.000 -6.638) 8.089 14.981 ( 7.409 0.000 6.964) 10.168 15.143 ( -9.174 0.000 2.066) 9.403 16.360 ( 0.305 0.000 2.689) 2.706 16.366 ( -0.319 0.000 2.725) 2.744 16.499 ( 0.367 0.000 -2.279) 2.308 16.506 ( -0.348 0.000 -2.282) 2.308 17.021 ( 7.730 0.000 35.891) 36.714 17.236 ( -16.328 0.000 42.115) 45.169 19.404 ( 4.907 0.000 -10.320) 11.427 19.476 ( 0.005 0.000 -6.886) 6.886 19.698 ( 1.195 0.000 4.677) 4.827 19.877 ( -16.219 0.000 0.894) 16.244 20.304 ( 2.730 0.000 -2.715) 3.850 20.435 ( -11.951 0.000 -4.757) 12.863 23.965 ( 15.353 0.000 4.233) 15.926 24.201 ( -9.479 0.000 -3.162) 9.993 25.325 ( 9.947 0.000 -6.419) 11.838 25.428 ( -0.683 0.000 -10.185) 10.207======================= Grid point 70 (25/63) =======================q-point: ( 0.00 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.820 ( 0.000 17.536 18.692) 25.630 0.944 ( 0.000 25.064 18.563) 31.190 1.825 ( 0.000 43.172 36.331) 56.425 1.868 ( 0.000 -2.492 -7.490) 7.894 1.987 ( 0.000 11.369 -19.397) 22.484 2.144 ( 0.000 4.140 -10.012) 10.834 2.354 ( 0.000 2.169 -1.976) 2.934 2.732 ( 0.000 3.631 4.579) 5.844 2.804 ( 0.000 4.817 4.791) 6.794 2.835 ( 0.000 14.446 3.313) 14.821 2.946 ( 0.000 9.211 -4.067) 10.069 3.109 ( 0.000 -2.774 3.968) 4.841 3.123 ( 0.000 8.325 -1.299) 8.426 3.200 ( 0.000 -6.194 9.104) 11.011 3.314 ( 0.000 4.880 -2.607) 5.532 3.394 ( 0.000 10.674 0.133) 10.675 3.527 ( 0.000 12.594 1.910) 12.738 3.688 ( 0.000 10.294 -14.251) 17.580 3.690 ( 0.000 11.123 3.527) 11.669 4.007 ( 0.000 -2.164 -6.268) 6.631 4.412 ( 0.000 3.141 12.677) 13.060 4.658 ( 0.000 9.196 1.685) 9.349 4.699 ( 0.000 7.101 -2.194) 7.432 4.742 ( 0.000 24.675 0.980) 24.694 4.949 ( 0.000 0.905 -3.033) 3.165 4.961 ( 0.000 26.874 -4.947) 27.325 5.059 ( 0.000 32.178 -1.352) 32.207 5.091 ( 0.000 32.148 -0.528) 32.152 5.564 ( 0.000 2.173 -1.351) 2.559 5.649 ( 0.000 4.187 -5.900) 7.234 5.942 ( 0.000 -4.265 8.961) 9.924 6.147 ( 0.000 -0.982 -4.400) 4.508 6.589 ( 0.000 1.967 1.661) 2.574 6.828 ( 0.000 -0.724 -6.342) 6.383 6.958 ( 0.000 0.070 0.465) 0.470 7.009 ( 0.000 -0.169 -1.081) 1.094 7.103 ( 0.000 -0.491 -3.166) 3.204 7.163 ( 0.000 -3.135 -9.157) 9.679 7.478 ( 0.000 -0.338 9.960) 9.966 7.705 ( 0.000 -0.266 8.785) 8.789 7.833 ( 0.000 -6.209 -0.360) 6.219 8.105 ( 0.000 -0.666 -7.676) 7.705 8.462 ( 0.000 9.214 2.471) 9.540 8.588 ( 0.000 -1.141 10.062) 10.127 8.633 ( 0.000 11.044 -5.641) 12.402 8.786 ( 0.000 13.096 2.204) 13.280 9.051 ( 0.000 -2.339 -2.379) 3.336 9.070 ( 0.000 13.165 -1.919) 13.304 9.350 ( 0.000 13.483 -4.815) 14.317 9.488 ( 0.000 1.702 -4.697) 4.996 9.544 ( 0.000 0.831 -4.502) 4.578 9.551 ( 0.000 2.257 -3.524) 4.185 9.749 ( 0.000 -4.762 5.317) 7.137 9.836 ( 0.000 2.958 4.914) 5.736 10.134 ( 0.000 14.122 11.340) 18.112 10.308 ( 0.000 -3.144 -2.852) 4.245 10.382 ( 0.000 -1.879 -2.647) 3.246 10.721 ( 0.000 14.747 5.061) 15.591 10.953 ( 0.000 3.486 -5.470) 6.487 11.011 ( 0.000 -2.411 -0.717) 2.515 11.077 ( 0.000 34.028 -31.353) 46.270 11.202 ( 0.000 6.547 17.047) 18.261 11.341 ( 0.000 13.464 -14.379) 19.699 11.741 ( 0.000 -3.580 12.037) 12.559 12.154 ( 0.000 15.641 -25.021) 29.508 12.371 ( 0.000 -22.590 7.127) 23.688 12.404 ( 0.000 -22.685 5.797) 23.414 12.565 ( 0.000 -4.668 -21.813) 22.307 12.675 ( 0.000 -29.734 -4.830) 30.124 12.818 ( 0.000 -13.260 -15.849) 20.664 13.080 ( 0.000 1.792 2.378) 2.977 13.225 ( 0.000 -0.643 -1.670) 1.789 13.558 ( 0.000 7.803 -2.126) 8.087 13.563 ( 0.000 11.746 -4.914) 12.733 14.248 ( 0.000 19.691 6.671) 20.790 14.581 ( 0.000 8.185 0.779) 8.222 14.641 ( 0.000 3.037 -2.799) 4.130 14.692 ( 0.000 26.907 -16.666) 31.651 14.966 ( 0.000 7.801 6.884) 10.404 15.316 ( 0.000 -3.226 -4.635) 5.647 16.236 ( 0.000 -9.110 -0.376) 9.118 16.248 ( 0.000 -10.422 1.779) 10.573 16.358 ( 0.000 -11.527 -2.460) 11.786 16.387 ( 0.000 -11.351 -2.542) 11.632 16.965 ( 0.000 5.496 29.891) 30.392 18.146 ( 0.000 12.016 -14.852) 19.104 19.485 ( 0.000 0.007 6.209) 6.209 19.546 ( 0.000 8.910 -1.658) 9.063 20.076 ( 0.000 1.412 9.085) 9.194 20.353 ( 0.000 1.143 -6.833) 6.928 20.547 ( 0.000 -29.026 27.051) 39.677 20.843 ( 0.000 -5.937 3.332) 6.808 23.446 ( 0.000 -2.050 4.296) 4.760 23.826 ( 0.000 -6.181 -10.811) 12.454 24.622 ( 0.000 -10.796 11.681) 15.906 25.021 ( 0.000 -16.883 -2.060) 17.008======================= Grid point 71 (26/63) =======================q-point: ( 0.20 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( 14.270 20.082 10.036) 26.601 1.099 ( 16.215 15.444 18.446) 29.012 1.787 ( -4.117 4.899 -14.944) 16.257 2.026 ( 7.348 18.570 12.981) 23.819 2.090 ( 14.513 19.985 14.000) 28.391 2.142 ( -3.511 5.360 -14.299) 15.669 2.229 ( -6.010 7.553 -1.174) 9.723 2.541 ( -18.361 5.272 5.478) 19.873 2.715 ( -1.950 5.334 3.104) 6.472 2.776 ( -6.141 4.655 -0.932) 7.762 2.917 ( -6.318 11.527 0.357) 13.150 3.000 ( -1.493 2.668 5.281) 6.103 3.130 ( -1.056 2.679 2.464) 3.790 3.333 ( 5.683 3.823 2.941) 7.454 3.422 ( 4.863 8.815 3.090) 10.531 3.446 ( 8.067 6.237 -5.019) 11.366 3.584 ( 1.623 9.082 -0.627) 9.247 3.655 ( 2.665 8.364 5.193) 10.199 3.815 ( 8.471 7.374 -11.744) 16.250 3.979 ( -5.644 -0.169 -2.654) 6.239 4.400 ( 0.214 3.741 7.354) 8.254 4.608 ( -12.681 6.337 0.272) 14.179 4.646 ( -0.422 10.081 -2.906) 10.500 4.737 ( 1.372 16.653 -1.372) 16.766 4.835 ( 3.927 21.922 2.007) 22.361 4.996 ( -1.193 29.745 -2.466) 29.871 5.087 ( 0.879 31.743 -0.281) 31.757 5.183 ( 4.180 21.519 -4.807) 22.442 5.450 ( -7.843 6.100 0.137) 9.937 5.717 ( -3.085 -1.165 -2.597) 4.197 5.901 ( 2.250 -0.552 2.808) 3.641 6.113 ( -2.755 -2.202 -3.556) 5.009 6.674 ( 7.751 1.280 2.037) 8.116 6.917 ( 3.513 -3.631 -4.237) 6.594 6.993 ( 2.923 -0.863 0.777) 3.145 7.080 ( 7.215 -4.389 -3.034) 8.973 7.174 ( 7.393 0.483 -2.613) 7.856 7.240 ( 7.939 -3.448 -8.573) 12.183 7.469 ( -0.204 0.076 7.004) 7.008 7.629 ( -3.450 -2.953 5.477) 7.114 7.833 ( -2.538 -5.171 2.782) 6.397 8.040 ( -7.083 -2.362 -6.410) 9.841 8.508 ( 4.677 13.521 1.306) 14.366 8.565 ( -0.306 2.592 5.642) 6.216 8.700 ( 4.364 4.911 0.310) 6.577 8.821 ( 4.369 7.497 -0.431) 8.688 9.026 ( -2.023 4.590 -1.938) 5.378 9.068 ( -1.284 10.016 -2.160) 10.326 9.388 ( 2.228 12.087 -6.205) 13.768 9.469 ( -1.142 4.862 -4.820) 6.941 9.504 ( -3.033 -0.370 -2.722) 4.092 9.588 ( 2.791 6.004 -5.193) 8.415 9.719 ( -3.661 -0.905 5.319) 6.520 9.846 ( 1.839 2.787 4.048) 5.248 10.010 ( -10.869 12.069 5.930) 17.291 10.310 ( -1.079 -0.914 -0.373) 1.462 10.381 ( -0.159 -1.791 -3.216) 3.684 10.607 ( -7.205 11.540 6.141) 14.926 10.739 ( -25.096 31.613 -19.455) 44.807 10.921 ( 0.730 1.350 -0.346) 1.573 11.011 ( -4.066 8.755 -8.612) 12.936 11.212 ( -6.894 3.731 -1.456) 7.973 11.467 ( 17.172 10.772 13.683) 24.457 11.809 ( 5.719 1.881 1.788) 6.280 12.316 ( 8.226 -10.037 -7.371) 14.925 12.361 ( -0.901 -21.496 4.519) 21.984 12.415 ( 3.461 -13.899 -1.543) 14.406 12.608 ( 3.359 -6.941 -17.454) 19.082 12.674 ( 0.181 -26.862 -6.076) 27.542 12.835 ( 1.468 -10.413 -15.391) 18.641 12.990 ( -7.243 0.807 0.314) 7.294 13.164 ( -5.762 -0.944 -3.568) 6.843 13.594 ( 4.988 10.746 -1.695) 11.968 13.729 ( 13.333 11.013 -3.640) 17.672 14.210 ( -5.177 19.087 9.105) 21.772 14.530 ( -8.470 18.159 -4.677) 20.576 14.567 ( -5.126 7.218 -3.034) 9.359 14.663 ( -0.955 15.015 -7.106) 16.639 14.942 ( 0.408 4.810 9.923) 11.034 15.262 ( -5.480 -2.821 -2.235) 6.556 16.232 ( -0.318 -10.061 0.457) 10.077 16.244 ( -0.426 -10.732 1.697) 10.874 16.365 ( 0.615 -11.033 -2.520) 11.333 16.389 ( 0.106 -10.776 -2.600) 11.086 16.998 ( 3.591 5.773 31.650) 32.372 17.815 ( -28.924 11.683 24.142) 39.445 19.422 ( -4.969 -5.576 5.515) 9.285 19.552 ( 1.965 10.292 -2.540) 10.781 19.879 ( -11.333 7.044 9.383) 16.312 20.207 ( -15.753 0.730 2.332) 15.941 20.340 ( -2.565 3.192 1.461) 4.348 20.697 ( -15.142 -4.101 -2.974) 15.966 23.596 ( 14.693 -5.077 6.430) 16.823 24.150 ( 9.178 -11.476 -16.712) 22.254 24.812 ( 20.163 -19.607 2.785) 28.262 25.089 ( 6.100 -18.535 -3.176) 19.770======================= Grid point 72 (27/63) =======================q-point: ( 0.40 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( 20.459 15.165 -0.360) 25.469 1.490 ( 23.059 7.707 12.363) 27.276 1.662 ( -12.904 8.047 -11.385) 18.997 1.883 ( -15.892 6.250 2.446) 17.251 2.008 ( -2.510 7.442 -0.050) 7.854 2.081 ( -12.942 12.334 3.099) 18.145 2.391 ( 7.854 0.812 -10.359) 13.025 2.509 ( 5.328 7.615 2.266) 9.566 2.689 ( 0.890 5.905 9.450) 11.179 2.730 ( 3.128 7.990 4.806) 9.834 2.820 ( 5.169 16.533 7.398) 18.836 3.028 ( -1.673 4.595 8.880) 10.138 3.087 ( 2.629 7.243 0.968) 7.766 3.380 ( -15.024 15.171 6.823) 22.415 3.428 ( 3.726 7.932 2.895) 9.230 3.539 ( -6.002 5.413 -2.199) 8.376 3.578 ( -1.217 6.699 -2.206) 7.157 3.589 ( -0.729 8.284 -0.632) 8.340 3.906 ( 7.832 2.280 -1.405) 8.277 3.989 ( 2.317 1.989 -2.798) 4.142 4.445 ( 1.960 0.807 -0.308) 2.142 4.463 ( -1.819 3.632 -3.921) 5.646 4.690 ( 2.978 5.506 -3.689) 7.266 4.729 ( -1.672 7.518 -3.278) 8.370 4.919 ( 5.735 33.542 0.072) 34.029 5.004 ( 0.040 34.501 -1.768) 34.546 5.083 ( -1.382 35.605 -2.434) 35.715 5.155 ( -5.839 28.449 -4.148) 29.337 5.382 ( 3.585 1.883 6.005) 7.243 5.542 ( -11.168 2.049 5.287) 12.525 6.007 ( 5.246 -3.768 -5.050) 8.199 6.070 ( -2.056 -4.156 -3.896) 6.056 6.816 ( 6.649 0.091 1.261) 6.768 6.914 ( -3.401 -1.894 -0.558) 3.933 7.042 ( 3.157 0.199 0.436) 3.193 7.114 ( -3.430 -2.445 -1.340) 4.420 7.372 ( 11.469 0.870 -2.529) 11.776 7.435 ( 10.966 -3.893 -5.464) 12.856 7.489 ( 0.782 -3.210 2.239) 3.991 7.608 ( -3.407 -4.104 1.043) 5.434 7.762 ( -1.060 -9.659 2.242) 9.973 7.866 ( -9.806 -7.257 -2.039) 12.369 8.592 ( 3.090 6.325 2.500) 7.470 8.614 ( 3.325 12.229 4.182) 13.346 8.769 ( 6.629 5.471 -2.571) 8.971 8.929 ( 4.392 2.053 -2.208) 5.327 8.979 ( -9.216 10.809 -1.568) 14.291 8.990 ( -1.890 9.008 0.479) 9.217 9.353 ( -2.577 6.134 -1.209) 6.762 9.387 ( -5.472 1.144 -0.086) 5.591 9.540 ( 4.093 9.996 -3.208) 11.268 9.613 ( -4.199 11.682 -1.281) 12.480 9.697 ( 7.395 6.218 -5.440) 11.088 9.837 ( -7.099 5.952 -2.307) 9.547 9.937 ( 8.942 12.242 -1.763) 15.262 10.209 ( -16.471 23.599 -11.693) 31.064 10.340 ( -3.428 -1.969 -4.487) 5.981 10.359 ( -4.219 -1.648 -0.636) 4.573 10.626 ( 7.004 5.580 9.234) 12.863 10.809 ( -10.892 3.879 1.468) 11.655 11.029 ( 4.938 5.086 -0.962) 7.154 11.120 ( -4.426 3.662 -3.099) 6.527 11.748 ( 11.664 9.214 13.290) 19.939 11.869 ( -0.953 5.673 6.074) 8.366 12.347 ( -0.027 -24.269 5.519) 24.889 12.355 ( -0.513 -24.513 6.386) 25.336 12.542 ( 6.491 -11.178 -9.909) 16.287 12.624 ( -2.046 -19.232 -8.282) 21.039 12.714 ( 3.721 -9.279 -11.471) 15.216 12.801 ( -5.596 -4.181 -8.282) 10.834 12.938 ( 3.359 -4.386 -7.350) 9.194 13.041 ( -6.692 -3.066 -6.380) 9.741 13.723 ( 8.622 13.341 2.258) 16.044 13.887 ( -4.684 17.087 2.739) 17.928 14.147 ( 7.823 13.199 1.048) 15.378 14.353 ( -9.644 18.778 -3.880) 21.463 14.543 ( 1.340 8.746 -2.407) 9.170 14.607 ( -4.495 9.107 -4.292) 11.026 15.006 ( 5.710 2.524 6.832) 9.255 15.133 ( -7.493 -0.701 2.945) 8.081 16.229 ( 0.089 -11.119 1.302) 11.196 16.235 ( -0.461 -11.216 1.572) 11.335 16.378 ( 0.668 -10.326 -2.515) 10.649 16.387 ( -0.317 -10.155 -2.571) 10.480 17.109 ( 8.702 6.695 36.725) 38.331 17.351 ( -18.286 8.818 42.018) 46.665 19.451 ( 7.889 -1.050 -9.163) 12.136 19.581 ( -1.424 6.741 -7.429) 10.133 19.783 ( -0.813 11.569 1.365) 11.678 19.897 ( -14.456 4.122 -0.684) 15.047 20.338 ( 2.392 4.104 -1.042) 4.863 20.446 ( -9.681 1.887 -3.679) 10.527 23.889 ( 14.769 -7.015 4.020) 16.837 24.114 ( -8.593 -8.224 -3.274) 12.337 25.115 ( 9.509 -20.348 -5.271) 23.071 25.181 ( 1.825 -20.574 -5.025) 21.257======================= Grid point 75 (28/63) =======================q-point: ( 0.00 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( 0.000 28.861 -0.272) 28.862 1.504 ( 0.000 28.556 7.879) 29.623 1.939 ( 0.000 9.735 -7.939) 12.562 2.230 ( 0.000 5.504 -3.886) 6.737 2.271 ( 0.000 14.494 -14.952) 20.824 2.448 ( 0.000 9.079 -6.891) 11.398 2.720 ( 0.000 41.491 25.066) 48.474 2.875 ( 0.000 9.909 6.987) 12.124 2.933 ( 0.000 7.005 7.413) 10.199 3.065 ( 0.000 4.703 1.392) 4.905 3.109 ( 0.000 7.197 -4.208) 8.337 3.115 ( 0.000 -0.265 10.758) 10.761 3.238 ( 0.000 15.498 3.964) 15.997 3.321 ( 0.000 10.215 -0.627) 10.234 3.433 ( 0.000 6.367 3.704) 7.366 3.652 ( 0.000 10.293 -9.417) 13.951 3.760 ( 0.000 11.164 -0.921) 11.202 3.946 ( 0.000 13.555 -9.175) 16.369 3.953 ( 0.000 13.122 4.775) 13.964 4.103 ( 0.000 13.312 1.087) 13.356 4.523 ( 0.000 7.831 6.121) 9.940 4.703 ( 0.000 0.132 -2.736) 2.739 4.775 ( 0.000 6.349 -1.507) 6.525 4.999 ( 0.000 3.882 -3.533) 5.248 5.259 ( 0.000 13.994 -1.581) 14.083 5.361 ( 0.000 4.852 -5.933) 7.664 5.659 ( 0.000 7.679 4.631) 8.967 5.774 ( 0.000 19.549 -0.776) 19.564 5.893 ( 0.000 28.044 -0.877) 28.057 5.915 ( 0.000 37.578 -0.938) 37.590 6.108 ( 0.000 28.916 2.520) 29.026 6.340 ( 0.000 28.387 -6.868) 29.206 6.647 ( 0.000 4.132 0.951) 4.240 6.820 ( 0.000 -0.038 -6.755) 6.755 6.958 ( 0.000 1.013 0.727) 1.247 6.993 ( 0.000 0.015 -0.991) 0.991 7.116 ( 0.000 -0.862 -6.498) 6.555 7.171 ( 0.000 6.367 -7.007) 9.468 7.577 ( 0.000 9.402 4.290) 10.335 7.722 ( 0.000 -3.938 2.273) 4.547 7.745 ( 0.000 4.782 9.137) 10.313 8.114 ( 0.000 1.499 -5.734) 5.926 8.491 ( 0.000 -0.645 13.172) 13.188 8.727 ( 0.000 -2.878 -1.029) 3.056 8.768 ( 0.000 12.629 -4.799) 13.510 8.852 ( 0.000 3.612 -2.338) 4.302 9.110 ( 0.000 -3.390 -0.836) 3.492 9.140 ( 0.000 5.443 -1.002) 5.534 9.524 ( 0.000 0.403 -1.091) 1.163 9.555 ( 0.000 0.314 -0.340) 0.463 9.695 ( 0.000 8.781 -1.100) 8.849 9.713 ( 0.000 2.019 13.250) 13.403 9.788 ( 0.000 15.967 -3.428) 16.330 10.025 ( 0.000 21.115 3.347) 21.378 10.319 ( 0.000 5.444 -9.266) 10.747 10.332 ( 0.000 3.309 6.485) 7.281 10.513 ( 0.000 16.286 3.515) 16.661 10.899 ( 0.000 -7.919 -2.039) 8.177 10.914 ( 0.000 -4.387 0.936) 4.486 11.020 ( 0.000 11.898 7.065) 13.837 11.385 ( 0.000 8.363 -9.311) 12.516 11.394 ( 0.000 12.217 19.016) 22.602 11.583 ( 0.000 -13.611 14.967) 20.231 11.586 ( 0.000 -6.043 -20.571) 21.440 11.948 ( 0.000 -14.556 2.625) 14.791 11.968 ( 0.000 -15.588 -3.006) 15.875 11.969 ( 0.000 -17.420 1.959) 17.529 12.006 ( 0.000 -27.086 -1.943) 27.156 12.507 ( 0.000 -6.523 -22.360) 23.292 12.936 ( 0.000 10.722 -24.961) 27.166 13.064 ( 0.000 -2.506 2.907) 3.838 13.222 ( 0.000 1.106 -11.632) 11.684 13.735 ( 0.000 9.265 -3.683) 9.970 13.745 ( 0.000 7.515 -8.979) 11.708 14.636 ( 0.000 -0.899 -3.497) 3.610 14.650 ( 0.000 17.641 7.576) 19.199 14.761 ( 0.000 8.363 -2.673) 8.780 14.983 ( 0.000 2.853 6.084) 6.719 15.227 ( 0.000 -5.595 -1.423) 5.773 15.268 ( 0.000 13.149 -17.076) 21.552 16.033 ( 0.000 -8.917 1.640) 9.067 16.105 ( 0.000 -11.731 -1.949) 11.892 16.110 ( 0.000 -0.465 -11.313) 11.323 16.124 ( 0.000 -12.755 -1.766) 12.876 17.077 ( 0.000 5.339 30.603) 31.065 18.395 ( 0.000 10.694 -18.874) 21.693 19.058 ( 0.000 -33.132 44.503) 55.482 19.645 ( 0.000 -2.438 -0.723) 2.543 20.190 ( 0.000 11.436 4.827) 12.413 20.433 ( 0.000 7.518 -2.970) 8.084 20.496 ( 0.000 11.957 3.484) 12.454 20.740 ( 0.000 -2.411 -3.237) 4.037 23.404 ( 0.000 -2.161 2.362) 3.202 23.672 ( 0.000 -8.433 -8.371) 11.883 24.327 ( 0.000 -17.619 9.147) 19.851 24.629 ( 0.000 -21.678 -2.463) 21.817======================= Grid point 76 (29/63) =======================q-point: ( 0.20 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( 11.295 25.218 1.312) 27.663 1.547 ( 4.709 25.775 7.599) 27.282 1.948 ( 0.669 11.699 -9.003) 14.777 2.205 ( -2.460 8.063 -1.897) 8.641 2.271 ( -3.397 7.735 -12.117) 14.772 2.397 ( -1.457 13.267 -7.744) 15.431 2.659 ( -20.756 6.263 8.447) 23.268 2.805 ( -0.204 22.036 10.106) 24.244 2.852 ( 0.521 15.360 13.921) 20.736 2.941 ( -2.702 12.277 -0.535) 12.582 3.106 ( 4.152 10.008 5.038) 11.949 3.159 ( -4.521 10.218 6.677) 13.016 3.263 ( 5.289 9.989 -3.141) 11.732 3.455 ( 5.999 8.071 0.743) 10.083 3.578 ( 9.478 6.790 1.142) 11.714 3.644 ( 5.650 10.655 -1.593) 12.165 3.798 ( -0.088 11.634 -1.723) 11.761 3.881 ( -3.687 12.215 3.781) 13.308 4.006 ( 2.167 10.638 -4.240) 11.656 4.111 ( 0.415 13.138 2.834) 13.446 4.521 ( 0.078 7.785 2.236) 8.100 4.727 ( 2.299 2.576 -3.952) 5.248 4.740 ( -5.016 8.461 -2.105) 10.059 4.909 ( -6.207 6.357 -3.434) 9.525 5.284 ( 3.527 10.322 1.275) 10.983 5.395 ( 2.865 5.014 -3.690) 6.853 5.712 ( 4.075 8.987 0.649) 9.889 5.812 ( 2.434 7.173 -3.375) 8.292 5.856 ( -1.752 37.539 0.837) 37.589 5.932 ( 0.985 39.045 -1.899) 39.103 6.063 ( -4.430 30.341 3.003) 30.809 6.262 ( -7.332 27.602 -4.926) 28.981 6.720 ( 6.692 3.742 0.473) 7.682 6.867 ( 3.795 -0.817 -5.250) 6.530 6.985 ( 2.251 0.338 1.082) 2.521 7.018 ( 2.456 -1.309 -0.288) 2.798 7.184 ( 7.026 -0.525 -5.902) 9.191 7.253 ( 8.319 5.835 -6.329) 11.971 7.543 ( -2.768 7.035 2.706) 8.030 7.636 ( -5.139 3.580 1.446) 6.428 7.760 ( -1.831 -0.710 7.579) 7.830 8.029 ( -9.238 1.007 -4.551) 10.348 8.522 ( 2.760 -1.739 9.417) 9.966 8.705 ( -2.067 -3.186 0.341) 3.813 8.803 ( 4.476 11.554 -3.386) 12.845 8.881 ( 3.580 3.698 -1.568) 5.381 9.120 ( 0.561 -1.733 -0.763) 1.974 9.166 ( 0.910 6.653 -1.131) 6.810 9.517 ( -0.801 0.257 -0.042) 0.842 9.537 ( -2.257 1.686 -1.216) 3.068 9.654 ( 0.342 7.425 4.123) 8.500 9.768 ( 0.930 5.105 6.742) 8.508 9.828 ( 3.593 13.571 -3.660) 14.508 10.085 ( 7.936 21.925 1.292) 23.353 10.183 ( -9.868 7.100 -2.466) 12.404 10.321 ( -1.537 2.021 0.731) 2.642 10.524 ( -3.256 15.546 5.100) 16.682 10.761 ( -9.436 0.746 1.019) 9.520 10.829 ( -7.470 -5.021 -3.097) 9.519 11.029 ( -0.065 8.863 1.028) 8.922 11.307 ( -3.988 6.667 2.052) 8.035 11.342 ( -11.462 6.372 -2.333) 13.320 11.605 ( 12.076 1.389 9.609) 15.495 11.749 ( 5.437 -20.759 -1.358) 21.502 11.859 ( -4.745 -17.050 -0.636) 17.709 11.958 ( -0.168 -17.042 0.706) 17.058 12.019 ( 2.977 -26.125 0.470) 26.298 12.070 ( 4.669 -9.597 -0.558) 10.687 12.557 ( 4.987 -5.264 -20.304) 21.560 12.907 ( -3.405 0.248 -5.873) 6.793 13.025 ( -2.447 6.704 -18.323) 19.664 13.174 ( -4.990 2.573 -10.494) 11.901 13.758 ( 5.756 7.093 -4.958) 10.394 13.938 ( 15.378 9.295 -6.314) 19.046 14.515 ( -10.704 6.729 0.134) 12.645 14.704 ( 3.190 10.972 3.257) 11.882 14.735 ( -2.763 8.329 -4.070) 9.673 15.006 ( 1.941 3.213 4.275) 5.689 15.130 ( -10.957 8.556 -6.820) 15.485 15.206 ( -4.117 2.112 -4.010) 6.123 16.016 ( -1.342 -9.880 1.177) 10.039 16.048 ( -3.354 -6.546 -3.928) 8.338 16.132 ( 1.749 -10.372 -2.326) 10.773 16.161 ( 1.621 -8.440 -4.871) 9.879 17.111 ( 3.793 5.175 32.337) 32.967 18.006 ( -31.553 4.738 26.415) 41.422 19.135 ( 7.107 -17.572 6.711) 20.108 19.642 ( -1.285 -4.663 -3.179) 5.789 20.151 ( -2.618 15.684 1.490) 15.971 20.315 ( -10.760 10.339 -2.210) 15.085 20.494 ( -0.493 11.812 1.239) 11.887 20.661 ( -6.976 1.643 -3.484) 7.969 23.486 ( 9.920 -5.343 4.784) 12.241 23.883 ( 10.716 -13.657 -12.258) 21.251 24.384 ( 8.630 -21.479 9.003) 24.837 24.671 ( 3.405 -22.903 -2.923) 23.338======================= Grid point 77 (30/63) =======================q-point: ( 0.40 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.689 ( 10.487 19.908 1.659) 22.563 1.738 ( 18.853 17.059 4.630) 25.843 1.894 ( -8.592 14.172 -6.329) 17.740 2.093 ( -15.250 13.017 -0.496) 20.056 2.172 ( 1.068 9.139 0.652) 9.224 2.288 ( -13.368 7.674 4.438) 16.040 2.489 ( 8.287 10.061 -11.187) 17.177 2.665 ( -9.615 7.298 -4.699) 12.953 2.887 ( 2.422 12.796 6.447) 14.531 2.945 ( -2.445 12.608 3.812) 13.397 3.119 ( 1.872 9.936 4.447) 11.046 3.182 ( -2.500 9.532 0.794) 9.887 3.411 ( 16.918 23.229 4.135) 29.033 3.577 ( 7.523 8.049 6.480) 12.782 3.696 ( -3.397 10.170 -0.562) 10.737 3.729 ( -9.461 15.751 6.718) 19.564 3.752 ( 3.564 7.456 0.925) 8.316 3.794 ( -1.070 12.219 -0.658) 12.284 4.036 ( 2.640 10.091 2.449) 10.715 4.098 ( -2.387 9.390 4.652) 10.748 4.541 ( 2.067 8.009 -3.813) 9.108 4.606 ( -5.787 10.016 -3.706) 12.147 4.788 ( 3.164 5.665 -4.885) 8.122 4.838 ( -2.490 5.588 -5.000) 7.901 5.378 ( 5.486 5.637 2.464) 8.243 5.437 ( 0.271 3.351 0.753) 3.445 5.752 ( 0.598 18.153 -4.162) 18.634 5.791 ( -2.214 10.661 -4.175) 11.662 5.905 ( 3.171 38.016 -0.612) 38.153 5.939 ( -0.607 38.121 -2.236) 38.191 6.004 ( 1.049 26.113 3.039) 26.310 6.108 ( -8.105 25.953 -1.372) 27.224 6.843 ( 5.397 3.177 -0.007) 6.262 6.903 ( -0.717 1.583 -1.571) 2.343 7.030 ( 2.482 -1.277 0.766) 2.894 7.055 ( 0.446 -2.773 0.102) 2.810 7.354 ( 9.755 -0.791 -2.775) 10.173 7.453 ( 11.141 4.276 -4.898) 12.899 7.487 ( -3.511 3.750 0.704) 5.185 7.577 ( -1.385 2.709 -1.184) 3.265 7.685 ( -3.660 0.958 3.455) 5.123 7.803 ( -13.118 0.301 -2.370) 13.333 8.579 ( 3.319 -2.870 3.524) 5.628 8.647 ( -3.774 -4.054 1.013) 5.631 8.936 ( 8.510 8.576 -1.516) 12.177 8.996 ( 8.219 3.251 0.156) 8.840 9.082 ( -5.792 3.945 -1.267) 7.121 9.131 ( -4.702 3.951 -0.454) 6.158 9.483 ( -0.230 4.658 2.993) 5.542 9.514 ( -1.760 5.352 2.717) 6.254 9.695 ( 2.961 8.150 1.176) 8.750 9.744 ( -2.214 5.670 2.167) 6.461 9.911 ( 4.992 11.864 -3.258) 13.277 10.018 ( -7.040 8.385 -3.099) 11.379 10.281 ( 3.931 3.927 0.583) 5.587 10.344 ( 11.380 16.697 -2.258) 20.332 10.374 ( -7.593 9.312 3.703) 12.573 10.612 ( -12.040 3.605 -3.456) 13.034 10.739 ( 2.744 6.216 -0.548) 6.817 10.899 ( -12.652 4.918 -3.605) 14.045 11.217 ( 1.838 10.095 6.098) 11.937 11.276 ( -3.034 11.915 -1.247) 12.359 11.770 ( 3.552 -14.481 2.860) 15.182 11.796 ( -0.638 -24.833 2.988) 25.020 11.826 ( 4.075 -18.663 2.499) 19.265 11.918 ( -3.925 -19.905 1.458) 20.341 12.106 ( 4.443 -14.542 1.860) 15.318 12.137 ( 1.546 -8.401 2.008) 8.775 12.678 ( 7.577 -3.242 -15.449) 17.510 12.814 ( -6.286 -4.829 -5.369) 9.574 13.005 ( 0.702 10.214 -20.318) 22.751 13.065 ( -5.469 5.703 -12.018) 14.382 13.929 ( 12.173 8.412 -1.844) 14.911 14.170 ( -6.068 11.085 -1.578) 12.735 14.346 ( 8.531 6.657 -8.074) 13.502 14.616 ( -11.551 7.641 -10.961) 17.662 14.776 ( 4.556 12.347 4.397) 13.875 14.898 ( -9.600 13.038 1.124) 16.230 15.064 ( 2.932 1.896 5.617) 6.614 15.129 ( -3.914 0.563 2.542) 4.701 15.995 ( -0.586 -10.174 0.632) 10.210 16.001 ( -1.385 -8.985 -0.688) 9.117 16.163 ( 1.345 -9.280 -2.439) 9.689 16.176 ( 0.019 -8.821 -3.364) 9.441 17.230 ( 9.500 4.830 37.360) 38.851 17.499 ( -20.351 4.665 42.320) 47.190 19.316 ( 11.986 -10.600 -11.895) 19.938 19.543 ( -10.141 -9.940 -11.152) 18.056 20.114 ( -1.085 18.021 -0.310) 18.057 20.142 ( -5.120 17.468 -0.669) 18.215 20.491 ( 0.766 10.729 0.081) 10.757 20.542 ( -4.833 7.679 -1.277) 9.163 23.711 ( 12.252 -9.821 3.370) 16.060 23.897 ( -6.562 -12.432 -3.003) 14.375 24.605 ( 10.471 -26.898 -0.085) 28.864 24.708 ( -0.758 -25.536 -2.914) 25.712======================= Grid point 80 (31/63) =======================q-point: ( 0.00 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( 0.000 25.402 -4.680) 25.829 2.042 ( 0.000 23.889 -3.138) 24.094 2.224 ( 0.000 16.168 -2.770) 16.404 2.397 ( 0.000 12.157 2.726) 12.459 2.476 ( 0.000 6.541 -9.115) 11.220 2.726 ( 0.000 16.728 -8.145) 18.606 3.059 ( 0.000 0.464 13.746) 13.754 3.063 ( 0.000 5.509 6.552) 8.560 3.091 ( 0.000 9.668 6.497) 11.648 3.174 ( 0.000 6.944 1.775) 7.167 3.259 ( 0.000 7.865 -2.638) 8.296 3.480 ( 0.000 5.620 0.291) 5.628 3.508 ( 0.000 14.483 0.943) 14.514 3.546 ( 0.000 2.564 5.012) 5.630 3.582 ( 0.000 31.825 11.393) 33.803 3.778 ( 0.000 5.542 -9.552) 11.043 4.006 ( 0.000 13.132 0.620) 13.147 4.170 ( 0.000 8.135 6.177) 10.214 4.179 ( 0.000 8.397 -1.856) 8.600 4.485 ( 0.000 20.429 10.438) 22.941 4.713 ( 0.000 10.540 -6.438) 12.351 4.726 ( 0.000 2.518 -3.110) 4.001 4.958 ( 0.000 11.919 -7.878) 14.287 5.062 ( 0.000 1.890 0.047) 1.890 5.390 ( 0.000 1.075 -2.190) 2.440 5.466 ( 0.000 10.198 -7.677) 12.765 5.616 ( 0.000 -5.845 4.434) 7.337 5.830 ( 0.000 -1.335 -3.291) 3.551 6.475 ( 0.000 11.937 -0.441) 11.946 6.545 ( 0.000 15.495 -3.351) 15.853 6.701 ( 0.000 18.741 3.485) 19.063 6.845 ( 0.000 4.100 -1.620) 4.408 6.935 ( 0.000 30.045 1.505) 30.083 6.997 ( 0.000 15.122 -2.149) 15.273 7.105 ( 0.000 15.416 -0.057) 15.416 7.144 ( 0.000 16.757 -4.559) 17.367 7.174 ( 0.000 19.797 -1.608) 19.862 7.355 ( 0.000 12.674 -9.759) 15.996 7.718 ( 0.000 5.034 10.502) 11.646 7.840 ( 0.000 15.618 3.023) 15.908 7.911 ( 0.000 12.101 5.946) 13.483 8.174 ( 0.000 5.312 -3.905) 6.593 8.536 ( 0.000 5.643 7.685) 9.534 8.687 ( 0.000 1.584 -0.018) 1.584 8.967 ( 0.000 7.854 -1.873) 8.074 8.987 ( 0.000 8.984 -6.726) 11.223 9.137 ( 0.000 7.606 -0.219) 7.609 9.237 ( 0.000 4.109 -3.401) 5.334 9.527 ( 0.000 -0.039 -1.020) 1.021 9.548 ( 0.000 -0.361 3.644) 3.662 9.736 ( 0.000 -0.877 -1.325) 1.589 9.753 ( 0.000 0.784 15.183) 15.203 9.996 ( 0.000 4.685 -3.612) 5.916 10.387 ( 0.000 4.187 -3.100) 5.209 10.435 ( 0.000 4.189 -2.158) 4.712 10.483 ( 0.000 5.069 -9.780) 11.015 10.582 ( 0.000 -10.801 4.844) 11.837 10.767 ( 0.000 -10.437 -0.793) 10.467 10.829 ( 0.000 0.151 -2.040) 2.045 11.105 ( 0.000 -18.784 -5.766) 19.649 11.192 ( 0.000 -0.030 20.459) 20.459 11.229 ( 0.000 -7.908 9.606) 12.442 11.444 ( 0.000 -16.380 -1.096) 16.417 11.636 ( 0.000 10.522 0.178) 10.524 11.718 ( 0.000 7.567 5.683) 9.463 11.778 ( 0.000 7.743 7.414) 10.720 11.867 ( 0.000 5.263 7.075) 8.817 11.982 ( 0.000 -0.610 -10.822) 10.839 12.336 ( 0.000 -9.865 -18.424) 20.899 13.007 ( 0.000 -2.615 3.650) 4.490 13.023 ( 0.000 -0.275 3.360) 3.372 13.265 ( 0.000 1.692 -20.540) 20.609 13.915 ( 0.000 7.829 -5.407) 9.515 13.918 ( 0.000 10.918 -15.549) 18.999 14.614 ( 0.000 -1.657 -3.777) 4.124 14.833 ( 0.000 0.857 -8.911) 8.952 14.901 ( 0.000 -10.276 5.249) 11.539 14.927 ( 0.000 5.559 3.512) 6.575 15.084 ( 0.000 -7.913 0.505) 7.929 15.316 ( 0.000 -5.639 -17.439) 18.328 15.935 ( 0.000 -3.229 2.406) 4.027 15.962 ( 0.000 2.047 9.569) 9.786 15.979 ( 0.000 -0.508 2.786) 2.832 16.245 ( 0.000 11.415 -17.076) 20.540 17.190 ( 0.000 6.374 25.737) 26.515 18.434 ( 0.000 -26.959 46.965) 54.153 18.527 ( 0.000 1.986 -22.884) 22.970 19.437 ( 0.000 -16.317 -2.560) 16.517 20.418 ( 0.000 9.895 0.951) 9.941 20.597 ( 0.000 6.499 -5.704) 8.647 20.778 ( 0.000 13.776 0.401) 13.782 20.787 ( 0.000 6.679 0.433) 6.693 23.358 ( 0.000 -2.411 1.320) 2.749 23.510 ( 0.000 -7.212 -5.107) 8.838 23.946 ( 0.000 -19.257 6.405) 20.294 24.168 ( 0.000 -23.274 -2.441) 23.401======================= Grid point 81 (32/63) =======================q-point: ( 0.20 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 5.202 23.409 -2.709) 24.133 2.057 ( 1.417 23.744 0.070) 23.786 2.233 ( 1.102 14.679 -5.279) 15.638 2.389 ( -1.420 11.173 2.387) 11.513 2.430 ( -3.604 7.816 -7.891) 11.677 2.687 ( -7.098 12.982 -6.035) 15.979 2.795 ( -12.458 8.280 8.516) 17.212 2.977 ( -7.524 7.934 7.024) 12.996 3.137 ( -0.925 9.973 2.576) 10.342 3.188 ( 1.472 9.239 0.858) 9.395 3.307 ( -0.202 6.515 -2.031) 6.827 3.420 ( 0.736 8.432 -0.461) 8.477 3.523 ( 3.373 8.154 1.302) 8.919 3.672 ( 7.824 15.317 5.078) 17.934 3.769 ( 3.597 13.886 1.387) 14.411 3.822 ( 15.912 10.062 4.047) 19.257 4.032 ( -0.893 11.287 -1.054) 11.371 4.090 ( -4.355 7.969 8.222) 12.250 4.192 ( -0.558 6.724 0.130) 6.749 4.456 ( -2.690 18.569 10.965) 21.732 4.694 ( 0.633 9.103 -6.746) 11.348 4.810 ( 5.361 5.814 -3.402) 8.609 4.949 ( -1.757 11.903 -5.973) 13.433 5.050 ( -1.836 7.345 -3.298) 8.258 5.383 ( -0.645 1.876 -1.892) 2.742 5.464 ( 2.490 5.248 -3.481) 6.772 5.656 ( 2.305 -6.372 -0.159) 6.778 5.791 ( -3.890 -2.410 -3.097) 5.525 6.522 ( 4.412 14.074 -0.560) 14.760 6.570 ( 2.433 17.004 -2.082) 17.303 6.698 ( -1.219 20.362 3.481) 20.694 6.809 ( -1.805 8.790 -0.223) 8.977 6.966 ( 2.090 20.882 -0.875) 21.004 6.998 ( 0.355 22.167 -2.014) 22.261 7.113 ( 0.803 14.024 -0.579) 14.059 7.158 ( 0.041 23.611 -2.466) 23.739 7.223 ( 6.343 5.994 -1.174) 8.806 7.426 ( 7.159 12.144 -8.616) 16.521 7.677 ( -3.994 6.519 8.621) 11.523 7.830 ( -1.848 15.596 0.137) 15.706 7.869 ( -3.258 12.080 6.544) 14.120 8.097 ( -8.259 7.074 -2.769) 11.221 8.544 ( 0.909 4.853 5.077) 7.082 8.660 ( -2.701 1.015 0.125) 2.888 8.973 ( 2.522 6.106 -0.986) 6.679 9.019 ( 2.630 9.829 -3.372) 10.719 9.152 ( 1.202 5.702 0.528) 5.851 9.284 ( 2.210 4.988 -4.676) 7.185 9.471 ( -2.130 -3.876 3.687) 5.758 9.589 ( 0.743 3.156 1.201) 3.458 9.736 ( 4.658 2.043 2.130) 5.514 9.845 ( 5.175 2.126 6.370) 8.478 10.015 ( 1.839 4.837 -4.706) 6.994 10.332 ( -7.906 4.314 -7.457) 11.693 10.372 ( -3.220 -0.384 -0.352) 3.262 10.450 ( -0.469 8.681 3.713) 9.453 10.588 ( -3.973 -15.154 -1.335) 15.723 10.710 ( -2.129 -1.066 -3.268) 4.044 10.832 ( -2.215 2.787 0.161) 3.564 10.998 ( -7.625 -21.186 -0.142) 22.517 11.185 ( -0.600 2.259 10.287) 10.549 11.236 ( 0.450 -15.599 7.600) 17.358 11.446 ( 0.232 -14.669 -1.516) 14.748 11.633 ( -1.562 8.092 4.738) 9.507 11.673 ( -4.671 4.508 -3.518) 7.384 11.788 ( -3.036 11.571 13.526) 18.057 11.863 ( 7.063 2.676 2.711) 8.024 12.070 ( 5.694 -1.228 -5.327) 7.894 12.414 ( 7.006 -8.531 -14.152) 17.948 12.849 ( -9.381 -3.399 4.715) 11.036 13.109 ( 2.867 1.331 -2.334) 3.929 13.248 ( -1.837 2.528 -19.738) 19.984 13.924 ( 5.716 9.753 -10.560) 15.469 14.111 ( 14.715 8.168 -9.921) 19.537 14.567 ( -5.811 0.433 -5.239) 7.836 14.815 ( -2.431 0.041 -9.176) 9.493 14.896 ( 0.215 -2.526 4.774) 5.406 14.935 ( 0.341 -3.938 3.292) 5.145 15.069 ( -1.270 -5.204 0.861) 5.425 15.251 ( -6.539 -4.638 -16.718) 18.541 15.914 ( -1.055 0.072 5.034) 5.144 15.967 ( -0.903 -0.288 2.841) 2.995 16.008 ( 2.969 0.018 5.967) 6.664 16.199 ( -4.382 9.761 -11.924) 16.021 17.217 ( 3.001 5.869 27.399) 28.181 17.971 ( -27.518 -7.028 36.152) 45.974 18.831 ( 14.174 -12.337 -10.939) 21.743 19.400 ( -4.389 -16.979 -6.021) 18.542 20.426 ( 0.657 11.083 0.550) 11.116 20.547 ( -4.182 10.228 -4.284) 11.851 20.748 ( -2.411 9.956 0.676) 10.266 20.775 ( -1.560 10.503 0.235) 10.621 23.389 ( 4.787 -4.302 2.920) 7.067 23.627 ( 6.797 -11.388 -7.412) 15.192 23.963 ( 3.542 -19.866 7.148) 21.408 24.191 ( 1.636 -23.833 -2.627) 24.033======================= Grid point 82 (33/63) =======================q-point: ( 0.40 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.056 ( 5.832 17.893 4.567) 19.366 2.137 ( 7.670 18.702 -1.497) 20.269 2.191 ( -5.555 14.930 -2.246) 16.088 2.354 ( -9.548 12.824 -2.709) 16.216 2.385 ( 3.197 11.307 -0.629) 11.767 2.462 ( -7.116 10.327 3.283) 12.964 2.738 ( 1.784 13.161 -4.672) 14.079 2.831 ( -7.398 9.439 -0.516) 12.004 3.144 ( 1.722 11.356 1.463) 11.579 3.185 ( -1.887 10.459 -0.401) 10.635 3.298 ( 1.581 8.797 -1.668) 9.093 3.366 ( -4.908 8.356 -6.772) 11.823 3.680 ( 10.920 4.818 5.509) 13.146 3.825 ( 6.505 1.987 1.133) 6.896 3.871 ( -0.393 13.774 8.281) 16.076 3.917 ( -2.665 11.052 2.509) 11.643 4.006 ( 1.349 12.599 2.483) 12.912 4.050 ( -2.764 12.321 9.611) 15.869 4.239 ( 7.819 8.943 3.310) 12.332 4.383 ( -5.703 16.142 7.994) 18.895 4.736 ( 4.009 10.891 -4.692) 12.518 4.841 ( -5.777 12.539 -2.787) 14.084 4.926 ( 3.678 8.105 -4.239) 9.858 4.998 ( -3.331 10.669 -6.287) 12.824 5.433 ( 5.451 1.364 -1.707) 5.873 5.508 ( -0.227 3.773 -4.249) 5.686 5.675 ( 0.337 -8.675 -2.018) 8.913 5.710 ( -3.583 -5.699 -2.406) 7.149 6.586 ( 2.447 17.784 0.787) 17.969 6.637 ( -1.566 19.306 1.294) 19.413 6.666 ( 4.552 21.936 0.006) 22.403 6.769 ( -4.065 17.672 -1.968) 18.240 7.002 ( 2.224 18.462 -0.422) 18.600 7.020 ( 1.001 16.193 -1.005) 16.255 7.132 ( 1.042 14.449 -0.343) 14.491 7.151 ( -0.813 17.192 -0.948) 17.237 7.381 ( 9.820 3.574 1.189) 10.518 7.552 ( -5.546 4.201 2.899) 7.537 7.615 ( 8.209 11.761 -3.203) 14.696 7.769 ( -4.551 14.596 -1.781) 15.392 7.828 ( -0.624 14.352 2.317) 14.551 7.905 ( -9.984 12.421 -1.219) 15.982 8.564 ( 1.354 2.912 1.872) 3.717 8.603 ( -2.832 1.332 0.510) 3.171 9.067 ( 6.736 4.038 1.054) 7.924 9.086 ( 4.201 7.907 -0.957) 9.005 9.155 ( -1.385 3.677 0.147) 3.932 9.222 ( -7.285 4.058 0.468) 8.352 9.514 ( 4.744 -2.118 -0.141) 5.197 9.578 ( -1.685 3.541 1.888) 4.352 9.861 ( 5.753 7.004 -0.653) 9.087 9.909 ( 1.254 9.299 3.175) 9.906 10.063 ( 4.176 5.150 -6.769) 9.476 10.183 ( -7.223 7.532 -4.766) 11.472 10.320 ( -0.793 -5.454 0.803) 5.569 10.403 ( -8.356 -10.029 2.423) 13.276 10.532 ( 5.578 2.663 3.989) 7.357 10.672 ( -6.262 3.566 1.923) 7.458 10.787 ( 1.822 -5.375 -4.222) 7.074 10.874 ( -5.964 -12.140 -3.680) 14.017 11.201 ( 2.035 -7.474 6.116) 9.869 11.233 ( -0.925 -15.841 5.500) 16.795 11.458 ( 1.446 -10.145 -2.414) 10.528 11.522 ( -5.724 -4.142 -2.522) 7.502 11.679 ( 1.728 13.751 5.379) 14.867 11.720 ( -2.906 10.376 9.469) 14.344 12.022 ( 7.754 0.311 5.168) 9.324 12.116 ( -1.494 -1.391 1.124) 2.330 12.555 ( 7.461 -7.934 -7.571) 13.264 12.690 ( -7.421 -6.191 -0.333) 9.670 13.151 ( 2.268 4.287 -9.907) 11.030 13.201 ( -2.890 4.360 -16.749) 17.547 14.108 ( 13.167 9.576 -8.797) 18.506 14.360 ( -7.679 8.037 -6.527) 12.890 14.444 ( 11.581 3.414 -12.858) 17.638 14.707 ( -10.380 1.425 -12.154) 16.047 14.913 ( 1.268 -2.796 3.649) 4.768 14.932 ( -0.659 -6.278 3.337) 7.141 15.058 ( 0.684 -2.014 -0.734) 2.250 15.116 ( -5.991 -3.479 -8.824) 11.219 15.907 ( 0.467 1.723 4.542) 4.880 15.935 ( -2.197 1.800 2.767) 3.965 16.064 ( 2.807 0.604 4.033) 4.951 16.119 ( -3.467 4.244 -1.163) 5.602 17.314 ( 7.911 4.197 32.430) 33.644 17.541 ( -17.285 0.560 38.703) 42.391 19.063 ( 11.484 -13.919 -16.353) 24.353 19.265 ( -9.621 -16.342 -13.289) 23.156 20.440 ( 1.174 13.507 0.437) 13.565 20.479 ( -2.890 14.376 -0.834) 14.687 20.716 ( -0.305 9.845 0.451) 9.860 20.737 ( -2.070 10.910 -0.000) 11.104 23.518 ( 7.798 -8.986 2.361) 12.130 23.641 ( -4.385 -12.383 -1.947) 13.280 24.095 ( 8.041 -23.016 1.360) 24.418 24.194 ( -2.145 -24.441 -1.994) 24.616======================= Grid point 85 (34/63) =======================q-point: ( 0.00 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.339 ( 0.000 18.135 -4.657) 18.724 2.438 ( 0.000 12.136 -8.500) 14.817 2.496 ( 0.000 14.532 -2.499) 14.746 2.583 ( 0.000 4.823 -6.267) 7.909 2.751 ( 0.000 20.345 6.322) 21.305 3.039 ( 0.000 1.667 12.713) 12.822 3.049 ( 0.000 11.076 -5.601) 12.412 3.133 ( 0.000 0.767 7.385) 7.425 3.233 ( 0.000 4.341 2.020) 4.788 3.350 ( 0.000 9.189 4.817) 10.375 3.416 ( 0.000 7.263 -0.506) 7.281 3.524 ( 0.000 -2.800 -2.993) 4.099 3.576 ( 0.000 4.011 1.407) 4.250 3.665 ( 0.000 4.774 -3.828) 6.119 3.890 ( 0.000 3.836 2.746) 4.718 4.167 ( 0.000 19.155 9.140) 21.223 4.209 ( 0.000 6.712 3.184) 7.429 4.298 ( 0.000 4.552 1.325) 4.741 4.330 ( 0.000 9.041 -0.346) 9.047 4.789 ( 0.000 8.078 3.910) 8.975 4.830 ( 0.000 8.749 0.706) 8.777 4.925 ( 0.000 9.698 -6.251) 11.538 5.095 ( 0.000 2.189 1.436) 2.619 5.239 ( 0.000 14.265 -11.195) 18.133 5.418 ( 0.000 1.240 1.686) 2.093 5.579 ( 0.000 5.080 4.173) 6.574 5.686 ( 0.000 10.642 -8.714) 13.755 5.793 ( 0.000 -1.273 -4.266) 4.451 6.572 ( 0.000 3.663 0.360) 3.680 6.715 ( 0.000 7.707 -4.555) 8.953 6.919 ( 0.000 6.747 3.032) 7.397 6.951 ( 0.000 6.132 1.124) 6.234 7.134 ( 0.000 5.426 3.977) 6.727 7.351 ( 0.000 8.735 4.272) 9.723 7.400 ( 0.000 14.903 -1.680) 14.997 7.471 ( 0.000 12.704 -5.241) 13.742 7.641 ( 0.000 11.933 -2.113) 12.119 7.754 ( 0.000 23.729 -5.147) 24.281 7.927 ( 0.000 11.667 10.353) 15.598 8.148 ( 0.000 15.568 3.566) 15.971 8.237 ( 0.000 17.571 1.257) 17.616 8.389 ( 0.000 16.616 -3.975) 17.085 8.718 ( 0.000 11.892 5.991) 13.316 8.814 ( 0.000 9.307 -0.720) 9.335 9.175 ( 0.000 8.524 -4.333) 9.562 9.192 ( 0.000 12.668 -1.696) 12.781 9.260 ( 0.000 -1.827 2.432) 3.042 9.374 ( 0.000 14.621 -2.254) 14.793 9.520 ( 0.000 -0.162 -4.496) 4.499 9.569 ( 0.000 -6.626 -2.567) 7.105 9.643 ( 0.000 -0.647 -4.298) 4.346 9.678 ( 0.000 -8.690 1.454) 8.811 10.066 ( 0.000 3.170 -1.486) 3.501 10.068 ( 0.000 -29.648 0.755) 29.657 10.258 ( 0.000 -10.537 4.446) 11.437 10.371 ( 0.000 1.159 0.554) 1.285 10.539 ( 0.000 -4.660 -2.644) 5.358 10.650 ( 0.000 -8.254 -6.178) 10.310 10.678 ( 0.000 -7.453 4.172) 8.542 11.073 ( 0.000 9.728 -6.655) 11.786 11.148 ( 0.000 -3.810 15.820) 16.272 11.229 ( 0.000 5.614 4.478) 7.181 11.349 ( 0.000 2.590 -4.170) 4.909 11.769 ( 0.000 5.235 5.402) 7.522 11.833 ( 0.000 7.436 2.155) 7.742 11.838 ( 0.000 -13.444 -12.180) 18.141 12.076 ( 0.000 12.170 18.383) 22.046 12.152 ( 0.000 -6.845 -3.295) 7.597 12.153 ( 0.000 18.837 0.252) 18.838 12.973 ( 0.000 -0.629 4.227) 4.273 12.978 ( 0.000 -3.525 8.446) 9.152 13.246 ( 0.000 -3.719 -8.412) 9.197 14.012 ( 0.000 1.116 -3.248) 3.434 14.216 ( 0.000 17.887 -24.145) 30.049 14.523 ( 0.000 -8.845 2.058) 9.081 14.636 ( 0.000 -13.671 3.186) 14.038 14.706 ( 0.000 -12.522 -2.154) 12.706 14.943 ( 0.000 -0.029 -8.962) 8.962 15.008 ( 0.000 -0.002 -9.593) 9.593 15.198 ( 0.000 -3.522 -26.036) 26.273 15.991 ( 0.000 7.150 9.837) 12.161 16.054 ( 0.000 5.687 18.633) 19.482 16.074 ( 0.000 8.266 8.451) 11.821 16.466 ( 0.000 8.866 -9.963) 13.336 17.353 ( 0.000 10.042 16.294) 19.140 18.009 ( 0.000 -14.435 37.528) 40.209 18.484 ( 0.000 -5.578 -23.054) 23.719 19.057 ( 0.000 -20.145 -6.086) 21.044 20.577 ( 0.000 5.932 0.501) 5.953 20.690 ( 0.000 3.250 -5.149) 6.089 20.922 ( 0.000 4.808 3.328) 5.848 20.997 ( 0.000 7.162 -0.553) 7.184 23.308 ( 0.000 -2.423 0.828) 2.560 23.386 ( 0.000 -5.229 -2.614) 5.846 23.583 ( 0.000 -16.028 3.942) 16.506 23.723 ( 0.000 -20.104 -1.735) 20.178======================= Grid point 86 (35/63) =======================q-point: ( 0.20 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.349 ( 0.984 15.019 -3.756) 15.513 2.469 ( 2.590 13.014 -7.427) 15.206 2.493 ( -0.090 15.396 -1.686) 15.488 2.571 ( -1.141 8.492 -3.765) 9.359 2.688 ( -4.904 15.049 4.808) 16.542 2.859 ( -12.156 6.604 5.265) 14.802 3.011 ( -2.832 9.742 3.353) 10.685 3.124 ( -2.511 6.570 1.454) 7.183 3.307 ( -0.514 7.360 3.533) 8.180 3.346 ( 3.142 5.293 -0.761) 6.202 3.444 ( 1.732 7.440 -1.439) 7.773 3.529 ( -0.166 0.382 -4.123) 4.144 3.586 ( 4.393 3.541 2.788) 6.294 3.755 ( 4.338 -0.192 -4.081) 5.959 3.983 ( 11.990 4.543 6.662) 14.449 4.158 ( -2.202 12.048 4.892) 13.189 4.197 ( -3.415 2.452 7.244) 8.375 4.238 ( -2.682 10.405 5.689) 12.158 4.320 ( -0.707 7.413 -0.197) 7.449 4.789 ( -1.798 14.433 8.287) 16.740 4.893 ( 1.808 4.519 -11.430) 12.423 4.920 ( 5.559 9.906 0.996) 11.402 5.138 ( 2.340 5.560 -0.242) 6.037 5.257 ( 2.184 13.010 -9.493) 16.253 5.413 ( -0.443 1.892 1.338) 2.359 5.569 ( -0.779 2.769 2.784) 4.003 5.637 ( -4.358 8.064 -8.432) 12.454 5.760 ( -3.508 -0.046 -4.254) 5.515 6.625 ( 5.121 3.777 0.681) 6.399 6.762 ( 4.735 8.010 -4.262) 10.235 6.926 ( -0.988 7.477 3.017) 8.123 6.936 ( -0.236 6.688 2.647) 7.196 7.183 ( 4.208 4.891 2.905) 7.076 7.332 ( 1.937 9.846 1.022) 10.086 7.431 ( -2.248 12.227 -3.881) 13.024 7.495 ( 4.452 12.245 0.243) 13.031 7.607 ( -3.447 12.360 -0.635) 12.847 7.762 ( -0.416 18.961 -2.576) 19.140 7.894 ( -1.731 13.858 4.494) 14.670 8.159 ( -0.032 16.680 1.885) 16.786 8.209 ( -1.477 19.031 2.473) 19.248 8.387 ( -0.748 20.591 -2.897) 20.807 8.722 ( 0.250 11.149 4.549) 12.044 8.785 ( -2.636 10.744 -0.531) 11.076 9.129 ( -1.408 7.965 0.846) 8.133 9.207 ( -1.301 4.882 0.328) 5.063 9.309 ( 4.749 6.534 -3.268) 8.714 9.365 ( -0.482 6.793 -4.282) 8.045 9.426 ( -6.459 0.420 -0.218) 6.476 9.606 ( 0.086 -4.232 0.898) 4.327 9.686 ( 7.733 -9.550 -4.267) 13.008 9.797 ( 8.476 -3.620 -5.984) 10.989 10.044 ( -2.362 -25.819 0.931) 25.943 10.098 ( 2.992 2.978 -2.029) 4.683 10.274 ( 1.283 -9.070 4.018) 10.003 10.356 ( -2.122 3.853 2.019) 4.840 10.509 ( -2.292 -6.059 -1.825) 6.731 10.628 ( -2.638 -5.620 -3.980) 7.374 10.662 ( -1.009 -8.735 2.275) 9.082 10.924 ( -11.025 6.776 -0.991) 12.978 11.156 ( -1.951 3.849 9.278) 10.233 11.203 ( -3.027 1.797 4.327) 5.578 11.359 ( 1.362 1.100 -5.294) 5.576 11.651 ( -6.875 -1.494 -4.668) 8.444 11.865 ( 3.235 5.885 3.492) 7.569 11.951 ( 5.347 -2.362 2.110) 6.215 12.044 ( -1.346 7.186 8.296) 11.058 12.104 ( -1.729 12.278 2.001) 12.559 12.272 ( 7.824 -0.262 2.670) 8.272 12.803 ( -10.116 -0.902 7.868) 12.848 13.096 ( 4.957 -2.320 2.115) 5.868 13.239 ( -0.848 -3.387 -8.267) 8.974 14.079 ( 6.823 2.232 -5.350) 8.953 14.317 ( 9.889 13.649 -20.368) 26.438 14.513 ( -1.560 -7.153 1.147) 7.411 14.642 ( 0.590 -13.802 1.804) 13.932 14.677 ( -2.475 -12.119 -1.125) 12.420 14.940 ( -0.483 0.819 -10.190) 10.235 15.005 ( -0.209 -0.571 -10.057) 10.075 15.150 ( -5.112 -2.808 -26.181) 26.823 16.000 ( 0.839 7.301 9.608) 12.096 16.056 ( -0.512 7.801 11.986) 14.310 16.088 ( 2.236 6.097 14.482) 15.872 16.406 ( -6.078 8.692 -5.067) 11.754 17.369 ( 1.883 9.608 17.504) 20.056 17.821 ( -14.870 -5.415 32.597) 36.235 18.605 ( 9.143 -10.901 -18.904) 23.660 19.021 ( -3.901 -19.666 -8.562) 21.801 20.597 ( 2.051 6.156 0.614) 6.517 20.696 ( 0.665 4.854 -4.280) 6.505 20.895 ( -2.372 4.909 3.405) 6.428 20.973 ( -2.408 6.768 -0.575) 7.207 23.312 ( 1.340 -3.340 1.552) 3.919 23.427 ( 1.775 -8.652 -3.391) 9.460 23.604 ( 3.190 -15.168 3.973) 16.001 23.742 ( 1.377 -20.033 -1.745) 20.156======================= Grid point 87 (36/63) =======================q-point: ( 0.40 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.376 ( 2.232 12.059 0.384) 12.270 2.447 ( -4.828 15.197 1.431) 16.009 2.522 ( 3.570 15.732 -1.453) 16.197 2.584 ( 2.084 10.160 -4.432) 11.279 2.625 ( -2.388 11.896 0.666) 12.152 2.680 ( -5.915 10.491 1.867) 12.187 2.974 ( 0.297 9.745 0.102) 9.750 3.038 ( -5.492 10.183 -1.039) 11.616 3.314 ( 1.587 6.180 0.961) 6.453 3.351 ( -1.784 5.621 -2.526) 6.415 3.477 ( 1.821 8.289 -2.459) 8.836 3.509 ( -1.594 5.253 -4.787) 7.284 3.733 ( 9.373 0.960 4.947) 10.642 3.827 ( 2.130 -1.561 2.033) 3.332 4.036 ( -5.361 4.678 1.234) 7.221 4.070 ( -6.399 4.202 1.350) 7.773 4.243 ( 3.855 6.741 11.299) 13.710 4.267 ( 2.474 10.435 7.518) 13.097 4.357 ( 11.452 3.145 4.778) 12.801 4.631 ( -13.286 6.329 4.194) 15.302 4.988 ( 6.969 13.896 -2.161) 15.696 5.072 ( 5.916 10.197 -3.775) 12.378 5.123 ( -0.547 11.125 -3.374) 11.638 5.255 ( -5.618 13.496 -6.115) 15.846 5.444 ( 4.978 0.332 -1.070) 5.102 5.534 ( -3.763 -2.082 -2.560) 5.005 5.597 ( 1.688 3.878 -3.904) 5.756 5.671 ( -5.358 1.909 -3.805) 6.843 6.734 ( 5.973 4.829 2.145) 7.975 6.841 ( -4.667 6.681 2.418) 8.501 6.878 ( 5.475 7.886 -2.282) 9.868 6.955 ( -0.892 8.622 -0.219) 8.671 7.266 ( 5.040 5.546 0.759) 7.533 7.367 ( -4.650 8.291 -2.741) 9.893 7.429 ( 6.687 8.430 1.252) 10.833 7.529 ( -4.220 12.956 -0.147) 13.627 7.564 ( 3.557 12.533 4.252) 13.705 7.677 ( -7.395 10.927 6.628) 14.765 7.949 ( 6.685 18.371 -7.733) 21.024 8.083 ( -6.584 16.201 -5.067) 18.207 8.252 ( 4.531 25.001 4.907) 25.878 8.341 ( -4.187 25.846 0.806) 26.196 8.724 ( 0.182 10.961 1.646) 11.085 8.740 ( -1.670 12.035 0.078) 12.151 9.141 ( 2.609 2.960 3.677) 5.393 9.188 ( -1.129 -0.042 3.064) 3.266 9.293 ( -2.359 9.799 -2.829) 10.469 9.312 ( -4.294 5.178 -0.085) 6.727 9.469 ( 7.740 -1.663 -5.957) 9.907 9.586 ( -3.720 -3.224 -3.863) 6.258 9.829 ( 7.412 -15.845 -2.268) 17.639 9.934 ( -0.694 -23.094 -4.659) 23.570 10.023 ( 6.140 -0.159 -1.787) 6.397 10.144 ( -0.857 0.619 -4.834) 4.948 10.272 ( -1.735 -0.083 2.430) 2.987 10.295 ( -2.643 4.800 2.597) 6.064 10.499 ( 1.915 -6.565 5.329) 8.670 10.565 ( -3.933 -7.841 2.964) 9.259 10.659 ( 1.380 -2.326 -3.654) 4.546 10.739 ( -7.476 5.408 -5.130) 10.557 11.113 ( -1.444 2.580 7.673) 8.222 11.130 ( -3.336 0.562 6.287) 7.140 11.416 ( 4.690 0.063 -6.439) 7.966 11.525 ( -6.597 -0.465 -6.328) 9.153 11.934 ( 3.453 7.030 5.256) 9.433 11.980 ( -1.251 9.964 6.679) 12.060 12.060 ( 1.546 -2.463 2.979) 4.164 12.078 ( -0.894 6.209 6.093) 8.745 12.433 ( 9.161 -1.169 4.698) 10.362 12.612 ( -9.978 -0.525 6.968) 12.181 13.169 ( 3.059 -2.137 -3.334) 5.004 13.214 ( -1.812 -2.643 -6.999) 7.698 14.246 ( 10.203 1.047 -5.795) 11.781 14.423 ( -7.210 -3.295 -4.889) 9.314 14.522 ( 7.823 1.147 -4.625) 9.160 14.609 ( -2.970 -11.545 3.029) 12.300 14.717 ( 7.420 -5.726 -12.863) 15.915 14.890 ( -6.932 2.086 -18.323) 19.702 15.005 ( 0.455 -1.502 -11.239) 11.348 15.040 ( -4.371 -2.066 -18.279) 18.907 16.019 ( 1.107 7.797 9.350) 12.225 16.040 ( -1.083 8.037 9.705) 12.647 16.154 ( 4.750 6.368 13.970) 16.071 16.269 ( -7.463 7.932 6.374) 12.619 17.431 ( 5.005 7.953 21.339) 23.317 17.572 ( -10.532 3.638 27.428) 29.605 18.770 ( 8.384 -14.875 -17.242) 24.266 18.916 ( -7.035 -17.767 -13.610) 23.460 20.647 ( 3.049 7.070 0.701) 7.731 20.696 ( -1.479 7.223 -1.367) 7.499 20.869 ( 0.638 4.877 1.746) 5.219 20.915 ( -3.426 5.832 -0.259) 6.769 23.359 ( 3.234 -6.655 1.296) 7.512 23.415 ( -2.390 -9.691 -0.642) 10.002 23.692 ( 4.809 -16.776 0.811) 17.471 23.749 ( -1.085 -19.193 -1.135) 19.257======================= Grid point 90 (37/63) =======================q-point: ( 0.00 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.567 ( 0.000 4.293 -3.438) 5.500 2.580 ( 0.000 4.248 -5.689) 7.100 2.726 ( 0.000 9.348 -3.063) 9.837 2.778 ( 0.000 10.654 -4.140) 11.430 3.008 ( 0.000 -1.218 8.574) 8.660 3.062 ( 0.000 -0.479 7.838) 7.853 3.162 ( 0.000 12.997 2.948) 13.327 3.263 ( 0.000 3.889 -2.290) 4.513 3.323 ( 0.000 8.473 0.600) 8.494 3.462 ( 0.000 -2.478 -5.161) 5.725 3.503 ( 0.000 5.704 3.976) 6.953 3.546 ( 0.000 5.279 -0.497) 5.303 3.657 ( 0.000 3.936 1.784) 4.322 3.722 ( 0.000 1.007 -2.621) 2.808 3.898 ( 0.000 -2.866 9.867) 10.275 4.182 ( 0.000 -5.011 7.146) 8.728 4.389 ( 0.000 4.518 1.675) 4.818 4.465 ( 0.000 4.185 -0.385) 4.202 4.480 ( 0.000 9.869 -4.845) 10.994 4.854 ( 0.000 -0.442 -10.133) 10.142 5.054 ( 0.000 10.274 5.612) 11.707 5.074 ( 0.000 5.498 2.086) 5.881 5.177 ( 0.000 6.583 1.566) 6.767 5.358 ( 0.000 1.288 2.956) 3.224 5.618 ( 0.000 14.308 -6.190) 15.590 5.742 ( 0.000 8.175 0.790) 8.213 5.801 ( 0.000 2.157 -4.829) 5.289 5.865 ( 0.000 6.459 -6.203) 8.955 6.727 ( 0.000 12.216 3.738) 12.775 6.907 ( 0.000 11.029 -3.931) 11.709 7.048 ( 0.000 6.345 2.670) 6.884 7.097 ( 0.000 8.045 -0.604) 8.068 7.238 ( 0.000 4.385 6.734) 8.036 7.544 ( 0.000 11.431 9.238) 14.697 7.589 ( 0.000 2.872 -4.887) 5.668 7.618 ( 0.000 4.030 -2.033) 4.514 7.753 ( 0.000 1.359 -3.252) 3.524 8.076 ( 0.000 4.262 8.180) 9.224 8.141 ( 0.000 13.721 -8.368) 16.071 8.422 ( 0.000 7.154 -2.998) 7.757 8.564 ( 0.000 14.405 1.601) 14.493 8.723 ( 0.000 13.528 -4.193) 14.163 8.905 ( 0.000 -1.483 6.163) 6.339 8.975 ( 0.000 11.816 5.533) 13.047 9.110 ( 0.000 -18.505 -0.888) 18.526 9.247 ( 0.000 3.039 3.570) 4.688 9.272 ( 0.000 -0.318 -1.668) 1.698 9.417 ( 0.000 -9.985 -2.914) 10.402 9.455 ( 0.000 -9.130 -5.219) 10.517 9.505 ( 0.000 -3.194 -12.796) 13.188 9.590 ( 0.000 4.485 -3.293) 5.564 9.685 ( 0.000 9.480 -8.597) 12.797 9.898 ( 0.000 10.475 2.193) 10.702 10.064 ( 0.000 -0.531 -0.356) 0.639 10.223 ( 0.000 5.720 9.494) 11.084 10.411 ( 0.000 -4.963 0.741) 5.018 10.416 ( 0.000 -6.420 -0.418) 6.434 10.573 ( 0.000 8.128 -1.461) 8.258 10.589 ( 0.000 -2.080 4.901) 5.324 11.010 ( 0.000 -6.224 10.135) 11.893 11.088 ( 0.000 -9.125 -13.808) 16.550 11.436 ( 0.000 10.892 4.198) 11.673 11.459 ( 0.000 -14.131 -8.506) 16.494 11.552 ( 0.000 5.343 -0.897) 5.418 11.918 ( 0.000 3.213 0.633) 3.275 11.922 ( 0.000 8.920 1.924) 9.125 12.116 ( 0.000 2.657 6.917) 7.409 12.253 ( 0.000 4.608 7.234) 8.576 12.477 ( 0.000 12.979 9.651) 16.174 12.905 ( 0.000 -3.040 8.917) 9.421 12.973 ( 0.000 0.121 4.235) 4.237 13.128 ( 0.000 -7.613 0.545) 7.632 13.974 ( 0.000 -3.448 1.028) 3.598 14.262 ( 0.000 -13.707 0.893) 13.736 14.370 ( 0.000 -8.942 4.531) 10.024 14.442 ( 0.000 -12.002 1.038) 12.047 14.627 ( 0.000 16.705 -25.026) 30.089 14.973 ( 0.000 2.800 -17.732) 17.951 15.052 ( 0.000 3.621 -15.056) 15.485 15.181 ( 0.000 0.629 -26.585) 26.593 16.153 ( 0.000 7.582 14.486) 16.350 16.165 ( 0.000 5.046 22.535) 23.093 16.254 ( 0.000 8.682 11.182) 14.157 16.567 ( 0.000 0.934 2.468) 2.639 17.591 ( 0.000 13.185 7.136) 14.993 17.872 ( 0.000 0.784 19.070) 19.086 18.329 ( 0.000 -9.259 -18.430) 20.625 18.653 ( 0.000 -19.483 -7.404) 20.843 20.666 ( 0.000 3.220 0.560) 3.268 20.735 ( 0.000 1.322 -2.763) 3.063 20.963 ( 0.000 -0.140 3.121) 3.124 21.058 ( 0.000 -0.732 -1.000) 1.239 23.264 ( 0.000 -1.940 0.378) 1.977 23.276 ( 0.000 -6.879 -0.042) 6.879 23.339 ( 0.000 -6.629 0.866) 6.686 23.383 ( 0.000 -13.118 -0.676) 13.135======================= Grid point 91 (38/63) =======================q-point: ( 0.20 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.535 ( -0.141 5.799 -1.990) 6.132 2.643 ( 3.654 4.559 -5.922) 8.319 2.742 ( 2.289 10.905 -1.794) 11.286 2.822 ( 3.574 10.980 -4.235) 12.300 2.879 ( -8.525 4.726 4.720) 10.830 3.016 ( -7.728 3.194 2.401) 8.700 3.141 ( -0.399 8.987 7.742) 11.869 3.286 ( -2.474 8.741 -2.075) 9.319 3.369 ( 4.642 0.539 -1.422) 4.885 3.454 ( -0.024 -1.110 -1.215) 1.646 3.484 ( -0.429 3.056 1.185) 3.306 3.576 ( 1.914 4.733 -0.612) 5.142 3.678 ( 2.484 4.326 1.916) 5.344 3.738 ( 2.123 -1.126 -0.450) 2.445 3.969 ( 6.270 -4.487 8.450) 11.439 4.163 ( -2.622 -5.233 5.321) 7.910 4.338 ( -3.059 7.071 1.000) 7.769 4.400 ( -4.495 4.961 2.214) 7.051 4.468 ( -1.501 6.924 0.902) 7.142 4.846 ( -5.012 -3.768 -7.124) 9.491 5.087 ( 6.968 10.292 2.414) 12.661 5.137 ( 4.840 9.421 1.380) 10.681 5.247 ( 6.264 6.221 0.496) 8.842 5.375 ( 1.995 1.798 -0.087) 2.687 5.596 ( -2.077 12.956 -4.275) 13.801 5.688 ( -4.720 6.927 -0.143) 8.384 5.795 ( -3.206 4.049 -3.007) 5.976 5.799 ( -4.614 5.682 -7.701) 10.624 6.782 ( 5.205 11.941 3.640) 13.525 6.952 ( 4.431 10.443 -3.764) 11.953 7.079 ( -1.402 8.021 1.304) 8.246 7.090 ( 2.909 8.189 2.077) 8.935 7.260 ( 2.362 2.891 5.335) 6.512 7.527 ( -0.464 8.131 0.264) 8.148 7.567 ( -3.476 3.885 -0.417) 5.230 7.644 ( 3.208 4.451 3.417) 6.464 7.734 ( -2.238 2.002 -2.486) 3.898 7.995 ( -6.169 5.823 7.894) 11.588 8.198 ( 4.071 13.219 -11.017) 17.683 8.443 ( 0.009 7.809 -5.940) 9.811 8.572 ( 2.837 14.657 4.046) 15.467 8.750 ( 2.224 13.228 -2.002) 13.562 8.886 ( -1.666 -1.516 5.873) 6.290 8.963 ( -1.590 9.200 5.652) 10.914 9.113 ( 0.564 -13.720 -0.489) 13.741 9.213 ( -2.318 2.336 1.234) 3.515 9.295 ( 1.124 -2.444 -1.016) 2.876 9.415 ( -3.514 -9.576 -8.902) 13.538 9.429 ( 1.565 -3.064 -2.402) 4.196 9.533 ( 2.432 -3.316 -6.126) 7.378 9.571 ( -1.752 2.796 -4.593) 5.655 9.674 ( -1.284 6.362 -6.912) 9.481 9.925 ( 2.857 6.575 -0.010) 7.169 10.091 ( 2.299 -0.959 -1.282) 2.801 10.249 ( 2.619 5.052 9.047) 10.688 10.349 ( -4.167 -7.028 0.234) 8.174 10.446 ( 0.781 -4.309 2.367) 4.978 10.537 ( -3.566 1.171 2.572) 4.550 10.640 ( 5.183 6.848 -1.393) 8.700 10.963 ( -3.266 -1.853 2.559) 4.544 11.125 ( 2.328 -7.734 -7.985) 11.357 11.369 ( -5.969 9.442 5.838) 12.604 11.399 ( -4.852 -7.288 -7.443) 11.491 11.529 ( -2.853 1.408 -1.002) 3.336 11.943 ( 2.508 3.219 1.835) 4.475 11.987 ( 5.681 5.863 2.048) 8.417 12.096 ( -1.941 2.714 6.683) 7.470 12.249 ( -1.017 3.606 3.950) 5.444 12.483 ( 1.301 12.643 11.974) 17.461 12.808 ( -7.128 1.164 9.561) 11.982 13.035 ( 3.583 -3.312 3.096) 5.778 13.126 ( -0.264 -7.423 0.261) 7.432 14.032 ( 5.645 -4.589 0.648) 7.304 14.273 ( 0.963 -13.361 1.312) 13.460 14.361 ( -0.945 -9.731 4.611) 10.809 14.405 ( -3.450 -11.625 1.173) 12.183 14.694 ( 6.548 14.866 -25.252) 30.026 14.981 ( 0.797 3.143 -17.577) 17.874 15.045 ( -0.730 3.664 -15.723) 16.161 15.148 ( -3.583 1.419 -26.949) 27.223 16.156 ( 0.731 7.087 15.608) 17.158 16.195 ( 2.670 5.507 20.265) 21.169 16.244 ( -0.974 8.410 11.536) 14.310 16.511 ( -5.563 1.621 6.010) 8.348 17.602 ( 1.176 13.031 7.670) 15.166 17.810 ( -5.470 4.583 16.324) 17.816 18.380 ( 4.518 -11.416 -16.625) 20.667 18.629 ( -2.515 -18.838 -8.718) 20.910 20.687 ( 2.192 3.132 0.698) 3.886 20.758 ( 2.211 1.579 -2.683) 3.818 20.939 ( -2.326 -0.057 3.196) 3.953 21.031 ( -2.758 -0.714 -0.931) 2.997 23.255 ( -0.449 -2.269 0.488) 2.364 23.269 ( -0.605 -6.949 0.047) 6.975 23.372 ( 2.794 -7.714 0.527) 8.221 23.404 ( 1.774 -13.029 -0.550) 13.161======================= Grid point 92 (39/63) =======================q-point: ( 0.40 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.580 ( 4.891 8.787 -0.838) 10.092 2.688 ( -3.161 7.777 -4.195) 9.385 2.753 ( 0.220 6.371 1.787) 6.620 2.812 ( 4.583 12.362 -0.175) 13.185 2.844 ( -4.651 5.843 -0.784) 7.509 2.887 ( -3.495 13.626 -0.909) 14.097 3.125 ( 1.362 5.234 2.465) 5.944 3.208 ( -5.765 6.573 -2.578) 9.115 3.400 ( 1.623 2.183 -0.889) 2.862 3.439 ( -2.082 3.685 1.134) 4.381 3.545 ( 4.181 -1.771 -0.848) 4.619 3.590 ( -0.687 2.028 -0.959) 2.346 3.753 ( 4.741 1.758 3.126) 5.945 3.787 ( 1.813 -1.288 2.282) 3.187 4.035 ( -0.011 -4.956 1.973) 5.334 4.076 ( -5.231 -3.653 0.455) 6.396 4.355 ( 3.297 5.259 7.089) 9.422 4.410 ( 3.266 2.841 5.694) 7.152 4.425 ( 2.271 5.495 5.238) 7.924 4.657 ( -13.454 -1.647 1.673) 13.657 5.234 ( 6.100 9.612 -0.468) 11.394 5.272 ( 8.025 8.769 -4.348) 12.657 5.334 ( 2.146 9.004 -3.065) 9.751 5.419 ( 1.000 2.061 -5.122) 5.610 5.547 ( -2.730 10.576 -0.414) 10.930 5.589 ( -5.033 6.332 0.500) 8.104 5.698 ( -1.483 5.211 -5.231) 7.531 5.742 ( -3.917 3.958 -4.134) 6.936 6.893 ( 6.201 10.891 3.395) 12.985 7.001 ( -4.731 8.929 2.166) 10.335 7.061 ( 5.454 10.147 -2.072) 11.704 7.137 ( -0.759 9.195 -0.542) 9.242 7.331 ( 5.723 1.704 3.158) 6.755 7.454 ( -6.179 1.504 -1.754) 6.597 7.579 ( 3.300 7.163 2.566) 8.293 7.653 ( -3.724 3.749 2.049) 5.667 7.737 ( 5.189 4.539 3.400) 7.687 7.865 ( -7.466 5.951 7.142) 11.923 8.288 ( 5.417 12.891 -12.672) 18.871 8.389 ( -4.874 11.144 -10.352) 15.972 8.677 ( 6.621 12.848 5.020) 15.300 8.767 ( -1.864 13.491 2.168) 13.790 8.868 ( 0.843 -1.133 4.926) 5.125 8.914 ( -3.216 4.846 5.286) 7.859 9.136 ( 1.813 -4.430 0.223) 4.792 9.172 ( -2.005 1.811 0.548) 2.757 9.308 ( 0.797 -5.298 -2.619) 5.964 9.345 ( -3.226 -6.542 -5.963) 9.421 9.479 ( 3.132 -0.337 -3.848) 4.973 9.531 ( -2.398 1.293 -4.930) 5.633 9.584 ( 2.830 -3.224 -4.454) 6.184 9.637 ( -2.623 1.172 -4.867) 5.651 10.003 ( 5.272 0.365 -2.743) 5.955 10.098 ( -3.281 -1.936 -3.939) 5.480 10.288 ( 2.258 -3.617 4.363) 6.101 10.328 ( 1.287 1.217 7.428) 7.636 10.424 ( -1.911 -5.881 1.089) 6.279 10.462 ( -3.848 3.169 6.703) 8.354 10.769 ( 7.889 8.162 -6.563) 13.112 10.897 ( -4.844 5.769 -6.332) 9.841 11.155 ( 2.108 0.195 -0.002) 2.117 11.244 ( -6.759 7.635 4.945) 11.333 11.363 ( 2.252 -5.503 -3.303) 6.802 11.446 ( -5.371 -3.080 -1.318) 6.330 11.999 ( 3.082 2.813 3.989) 5.773 12.052 ( -2.616 2.700 5.690) 6.820 12.099 ( 5.889 3.712 1.995) 7.241 12.198 ( -4.345 3.244 1.375) 5.594 12.547 ( 5.436 9.487 13.074) 17.043 12.670 ( -7.293 5.292 11.455) 14.574 13.088 ( 2.095 -5.412 0.782) 5.855 13.116 ( -0.902 -6.711 -0.072) 6.772 14.158 ( 7.140 -6.943 -0.013) 9.959 14.271 ( -3.341 -9.696 -0.539) 10.270 14.331 ( -0.815 -12.576 4.720) 13.457 14.349 ( -1.729 -12.342 4.700) 13.319 14.848 ( 9.189 10.695 -26.391) 29.921 14.985 ( -2.674 5.618 -20.312) 21.243 15.026 ( -0.431 3.000 -18.548) 18.794 15.060 ( -4.246 3.045 -22.874) 23.463 16.180 ( 1.690 7.475 14.117) 16.063 16.213 ( -1.623 8.105 12.928) 15.345 16.271 ( 4.888 4.704 17.884) 19.128 16.385 ( -7.019 3.330 13.222) 15.336 17.638 ( 2.765 12.224 9.359) 15.641 17.708 ( -4.792 9.693 12.361) 16.423 18.473 ( 5.099 -14.455 -14.328) 20.982 18.563 ( -4.372 -17.001 -11.595) 21.038 20.742 ( 3.386 3.014 0.705) 4.587 20.789 ( -0.371 2.655 -1.359) 3.006 20.908 ( 0.600 -0.606 1.948) 2.127 20.964 ( -4.029 -0.697 -0.451) 4.114 23.253 ( 0.187 -3.744 0.436) 3.774 23.259 ( -0.428 -5.637 0.247) 5.658 23.419 ( 1.780 -10.408 0.086) 10.560 23.430 ( 0.603 -12.371 -0.280) 12.389======================= Grid point 95 (40/63) =======================q-point: ( 0.00 0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.610 ( 0.000 1.178 -1.080) 1.598 2.623 ( 0.000 0.249 -3.249) 3.258 2.862 ( 0.000 3.436 -0.289) 3.448 2.891 ( 0.000 0.685 1.129) 1.320 3.007 ( 0.000 0.926 3.008) 3.147 3.018 ( 0.000 -0.516 2.515) 2.568 3.301 ( 0.000 1.616 -3.920) 4.240 3.332 ( 0.000 -0.114 -5.580) 5.581 3.487 ( 0.000 5.215 -0.351) 5.227 3.496 ( 0.000 5.976 -0.012) 5.976 3.588 ( 0.000 3.784 4.607) 5.962 3.634 ( 0.000 2.776 -0.139) 2.780 3.713 ( 0.000 -1.426 0.380) 1.476 3.714 ( 0.000 -0.709 3.080) 3.161 3.841 ( 0.000 2.279 10.081) 10.335 4.015 ( 0.000 -10.587 4.730) 11.596 4.468 ( 0.000 2.972 1.344) 3.262 4.500 ( 0.000 -0.092 0.562) 0.570 4.656 ( 0.000 7.855 -6.093) 9.941 4.793 ( 0.000 -5.289 -9.150) 10.568 5.161 ( 0.000 2.981 1.244) 3.230 5.173 ( 0.000 2.266 1.670) 2.815 5.323 ( 0.000 5.591 4.678) 7.290 5.377 ( 0.000 -0.143 4.982) 4.984 5.843 ( 0.000 5.745 -6.785) 8.891 5.853 ( 0.000 2.054 -3.784) 4.305 5.861 ( 0.000 4.846 -0.138) 4.848 5.932 ( 0.000 -0.103 -4.749) 4.750 7.016 ( 0.000 13.145 2.685) 13.417 7.097 ( 0.000 4.844 -0.391) 4.860 7.179 ( 0.000 6.553 0.640) 6.584 7.225 ( 0.000 2.987 -1.137) 3.196 7.323 ( 0.000 5.202 4.715) 7.021 7.500 ( 0.000 -9.793 -1.965) 9.988 7.678 ( 0.000 1.562 -0.366) 1.605 7.718 ( 0.000 -2.171 0.788) 2.310 7.840 ( 0.000 16.438 5.384) 17.297 8.156 ( 0.000 4.688 3.594) 5.907 8.197 ( 0.000 -12.519 -2.379) 12.743 8.294 ( 0.000 -10.983 1.381) 11.069 8.807 ( 0.000 11.804 -2.729) 12.115 8.902 ( 0.000 3.940 0.724) 4.006 8.906 ( 0.000 0.774 -0.654) 1.013 9.029 ( 0.000 11.624 3.078) 12.024 9.085 ( 0.000 -14.426 -7.627) 16.318 9.148 ( 0.000 5.266 -5.081) 7.317 9.265 ( 0.000 -6.630 -2.155) 6.971 9.274 ( 0.000 -3.374 -5.099) 6.114 9.373 ( 0.000 2.863 1.335) 3.159 9.446 ( 0.000 -3.657 -0.877) 3.760 9.719 ( 0.000 4.817 -5.898) 7.615 9.767 ( 0.000 0.290 -9.656) 9.661 10.093 ( 0.000 6.495 0.819) 6.546 10.113 ( 0.000 2.581 4.180) 4.913 10.282 ( 0.000 -3.583 2.568) 4.408 10.320 ( 0.000 -4.528 -0.585) 4.565 10.402 ( 0.000 11.551 1.469) 11.643 10.640 ( 0.000 -7.971 -6.483) 10.275 10.664 ( 0.000 11.131 3.733) 11.741 10.920 ( 0.000 -3.086 -4.054) 5.094 10.946 ( 0.000 -0.649 6.764) 6.795 11.037 ( 0.000 -20.070 2.269) 20.197 11.616 ( 0.000 6.419 3.492) 7.307 11.673 ( 0.000 1.228 0.692) 1.410 12.032 ( 0.000 6.091 0.410) 6.104 12.064 ( 0.000 3.522 0.679) 3.587 12.188 ( 0.000 3.854 4.157) 5.669 12.264 ( 0.000 -2.777 1.461) 3.138 12.704 ( 0.000 10.448 10.808) 15.032 12.868 ( 0.000 -2.412 7.475) 7.855 12.956 ( 0.000 -1.908 5.062) 5.410 12.963 ( 0.000 -6.618 6.341) 9.166 13.937 ( 0.000 0.948 2.827) 2.982 14.031 ( 0.000 -8.372 2.440) 8.721 14.233 ( 0.000 -3.193 3.611) 4.820 14.258 ( 0.000 -5.599 2.029) 5.956 14.910 ( 0.000 9.868 -24.970) 26.849 15.012 ( 0.000 -0.543 -22.253) 22.260 15.128 ( 0.000 3.656 -17.743) 18.115 15.181 ( 0.000 -1.227 -21.989) 22.023 16.248 ( 0.000 2.826 21.265) 21.452 16.258 ( 0.000 2.324 18.151) 18.299 16.410 ( 0.000 6.769 11.898) 13.689 16.525 ( 0.000 -4.379 10.675) 11.539 17.865 ( 0.000 13.522 -1.403) 13.594 18.005 ( 0.000 11.128 2.939) 11.510 18.120 ( 0.000 -11.519 -10.567) 15.632 18.287 ( 0.000 -16.444 -4.772) 17.123 20.717 ( 0.000 1.980 0.527) 2.049 20.744 ( 0.000 -0.501 -0.510) 0.714 20.957 ( 0.000 0.591 1.081) 1.232 21.003 ( 0.000 -3.498 -0.647) 3.558 23.164 ( 0.000 -2.590 0.498) 2.638 23.188 ( 0.000 -4.885 -0.392) 4.900 23.251 ( 0.000 -0.495 0.538) 0.731 23.267 ( 0.000 -1.947 -0.084) 1.949======================= Grid point 96 (41/63) =======================q-point: ( 0.20 0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.633 ( 3.526 4.103 -1.464) 5.604 2.685 ( 4.764 -0.450 -4.108) 6.306 2.886 ( 1.701 3.524 1.515) 4.196 2.931 ( 2.448 0.737 2.377) 3.491 2.975 ( -0.025 2.821 -2.378) 3.690 2.984 ( -3.043 -1.029 1.869) 3.716 3.319 ( 0.309 4.183 -1.604) 4.491 3.378 ( 3.679 -2.328 -3.694) 5.709 3.424 ( -4.533 4.992 -0.190) 6.746 3.446 ( -4.707 4.694 -0.641) 6.678 3.557 ( -2.816 2.566 3.581) 5.228 3.616 ( -2.392 -1.560 0.619) 2.922 3.732 ( 3.822 1.943 2.428) 4.927 3.763 ( 2.461 2.585 0.660) 3.630 3.872 ( 2.714 -1.742 8.490) 9.082 4.000 ( -1.749 -9.824 4.200) 10.827 4.440 ( -1.651 2.936 1.878) 3.856 4.459 ( -3.061 1.001 1.278) 3.464 4.610 ( -4.237 7.174 -1.218) 8.421 4.746 ( -5.382 -5.994 -4.595) 9.274 5.229 ( 6.977 4.133 -0.267) 8.114 5.251 ( 6.812 2.077 -0.376) 7.132 5.372 ( 4.570 4.486 2.243) 6.785 5.408 ( 3.133 0.606 2.217) 3.886 5.802 ( -3.703 4.931 -4.346) 7.544 5.809 ( -4.282 6.580 -2.153) 8.141 5.845 ( -2.121 0.494 -2.800) 3.547 5.874 ( -5.601 0.592 -5.200) 7.666 7.058 ( 3.676 12.383 1.562) 13.011 7.131 ( 2.829 5.105 -1.834) 6.118 7.225 ( 4.368 6.264 2.218) 7.952 7.245 ( 1.864 4.836 1.808) 5.490 7.307 ( -0.857 3.303 3.518) 4.901 7.476 ( -1.860 -8.940 -3.242) 9.690 7.657 ( -2.014 1.375 0.533) 2.496 7.709 ( -1.663 -2.982 -0.427) 3.441 7.851 ( 1.543 16.337 6.754) 17.745 8.108 ( -4.247 7.157 4.836) 9.625 8.212 ( 1.415 -14.683 -2.176) 14.910 8.313 ( 0.847 -12.696 0.015) 12.724 8.819 ( 1.257 11.963 -2.328) 12.252 8.893 ( 0.468 6.370 0.024) 6.388 8.959 ( 3.390 1.999 -0.416) 3.957 9.020 ( 0.277 8.293 1.877) 8.507 9.090 ( 0.338 -12.051 -6.106) 13.514 9.141 ( -0.901 5.261 -4.954) 7.282 9.218 ( -3.643 -7.280 -3.384) 8.816 9.257 ( -1.726 -4.006 -4.356) 6.165 9.424 ( 4.487 3.063 0.557) 5.461 9.493 ( 4.079 -2.797 -1.555) 5.185 9.688 ( -3.090 4.642 -4.779) 7.344 9.737 ( -3.066 0.066 -7.973) 8.543 10.080 ( -0.766 6.803 0.935) 6.909 10.129 ( 1.252 1.783 3.348) 3.995 10.231 ( -4.190 -1.885 2.462) 5.213 10.312 ( -1.702 -6.983 0.327) 7.195 10.421 ( 2.145 10.952 0.562) 11.174 10.641 ( -2.511 10.417 2.689) 11.048 10.663 ( 2.517 -9.464 -7.199) 12.155 10.902 ( -2.490 -8.010 -5.383) 9.967 11.020 ( 7.053 0.350 5.026) 8.667 11.086 ( 6.196 -10.798 5.178) 13.484 11.558 ( -6.123 6.872 4.043) 10.053 11.621 ( -5.611 1.178 1.393) 5.900 12.047 ( 1.549 5.553 1.174) 5.883 12.087 ( 2.333 2.229 0.830) 3.332 12.173 ( -1.519 4.246 3.796) 5.895 12.252 ( -1.394 -2.776 0.862) 3.224 12.712 ( 0.994 10.656 10.926) 15.295 12.847 ( -2.033 1.778 7.772) 8.228 12.954 ( -0.467 -8.222 6.094) 10.245 12.961 ( 0.101 -4.184 4.757) 6.336 13.972 ( 3.433 -0.136 2.447) 4.218 14.049 ( 1.871 -7.860 2.380) 8.423 14.212 ( -2.150 -3.778 3.358) 5.493 14.228 ( -3.105 -5.231 1.793) 6.342 14.944 ( 3.353 8.606 -24.402) 26.092 15.027 ( 1.540 0.022 -21.595) 21.650 15.120 ( -0.878 3.354 -18.128) 18.456 15.163 ( -1.963 -0.570 -22.191) 22.285 16.261 ( 1.353 3.176 19.523) 19.826 16.276 ( 1.853 1.880 18.514) 18.702 16.392 ( -1.783 6.149 12.467) 14.015 16.489 ( -3.550 -3.270 12.036) 12.968 17.876 ( 1.124 13.694 -1.126) 13.786 17.985 ( -1.824 11.924 1.950) 12.220 18.142 ( 2.026 -12.292 -9.626) 15.743 18.273 ( -1.438 -16.177 -5.385) 17.110 20.737 ( 2.135 2.052 0.573) 3.016 20.767 ( 2.409 -0.636 -0.589) 2.560 20.933 ( -2.433 0.596 1.128) 2.747 20.978 ( -2.548 -3.385 -0.592) 4.278 23.173 ( 0.912 -1.877 0.543) 2.156 23.202 ( 1.165 -4.135 -0.607) 4.338 23.247 ( -0.275 -1.298 0.790) 1.544 23.270 ( 0.143 -2.995 -0.169) 3.003======================= Grid point 97 (42/63) =======================q-point: ( 0.40 0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.727 ( 5.800 5.440 -2.446) 8.319 2.779 ( 4.812 0.855 -3.983) 6.305 2.838 ( -4.640 3.250 -0.360) 5.676 2.887 ( -5.325 -0.859 -1.075) 5.500 3.025 ( 7.709 7.923 0.979) 11.098 3.096 ( 7.711 2.975 -0.960) 8.320 3.219 ( -7.892 6.075 2.490) 10.266 3.294 ( -8.725 0.870 -1.008) 8.826 3.432 ( 3.015 1.775 -1.081) 3.662 3.475 ( 3.577 -2.111 0.190) 4.158 3.499 ( -2.143 0.994 1.498) 2.797 3.561 ( -3.591 -3.744 0.711) 5.236 3.802 ( 2.809 2.521 2.123) 4.330 3.809 ( 2.126 3.650 1.994) 4.672 3.907 ( 0.902 -5.673 3.081) 6.518 3.947 ( -3.409 -7.446 1.852) 8.396 4.441 ( 1.835 2.886 4.216) 5.429 4.463 ( 4.694 1.138 3.594) 6.020 4.517 ( -4.968 4.632 4.021) 7.893 4.605 ( -8.706 -3.553 1.851) 9.583 5.376 ( 7.188 4.157 -2.013) 8.544 5.391 ( 7.023 2.709 -3.127) 8.151 5.452 ( 2.217 2.563 -1.699) 3.791 5.459 ( 0.786 1.700 -2.183) 2.877 5.724 ( -3.792 5.838 -2.017) 7.248 5.724 ( -3.728 5.861 -1.519) 7.111 5.770 ( -3.137 1.124 -4.054) 5.248 5.788 ( -3.356 -0.169 -3.234) 4.664 7.127 ( 3.383 10.066 0.353) 10.626 7.172 ( -0.134 7.003 -1.168) 7.101 7.230 ( 0.925 3.727 1.420) 4.094 7.284 ( -2.885 1.018 1.373) 3.353 7.371 ( 8.294 6.468 3.497) 11.084 7.471 ( -0.206 1.323 -1.849) 2.283 7.605 ( -1.696 -4.541 2.257) 5.347 7.652 ( -4.119 -4.891 -0.644) 6.427 7.909 ( 4.565 14.572 6.700) 16.675 8.010 ( -5.836 11.039 5.953) 13.834 8.252 ( 2.693 -16.091 -2.181) 16.460 8.301 ( -2.068 -15.522 -1.674) 15.748 8.852 ( 2.204 11.918 -1.164) 12.176 8.891 ( -1.422 10.793 -0.123) 10.887 9.005 ( 2.951 6.229 0.916) 6.954 9.062 ( -1.048 3.272 -0.738) 3.514 9.103 ( 3.771 -3.451 -0.745) 5.165 9.131 ( 1.080 -3.588 -8.087) 8.913 9.159 ( -2.441 -8.491 -6.809) 11.154 9.203 ( -4.166 -4.140 -3.222) 6.699 9.519 ( 5.295 3.672 -0.911) 6.508 9.575 ( 4.147 -0.534 -3.420) 5.402 9.616 ( -4.087 3.540 -2.172) 5.827 9.664 ( -4.382 -0.405 -4.983) 6.648 10.081 ( 1.217 6.089 0.766) 6.257 10.127 ( -2.939 3.873 1.065) 4.978 10.188 ( 1.896 -4.653 3.459) 6.100 10.253 ( -4.019 -7.135 1.962) 8.421 10.484 ( 4.361 10.045 -0.074) 10.951 10.572 ( -4.582 9.614 0.989) 10.696 10.734 ( 4.791 -11.717 -8.070) 15.012 10.828 ( -4.914 -12.291 -7.404) 15.167 11.190 ( 10.608 4.640 5.201) 12.693 11.257 ( 10.778 -2.005 4.782) 11.961 11.399 ( -10.062 6.407 5.543) 13.154 11.469 ( -10.200 0.217 3.600) 10.819 12.087 ( 2.560 4.942 2.223) 5.993 12.135 ( -2.186 4.500 2.771) 5.719 12.145 ( 3.303 0.126 0.987) 3.449 12.210 ( -3.090 -1.928 0.410) 3.665 12.745 ( 2.499 10.041 10.459) 14.713 12.799 ( -2.945 7.264 9.117) 12.023 12.951 ( 0.216 -9.280 5.087) 10.585 12.958 ( -0.384 -7.472 4.466) 8.713 14.053 ( 4.932 -2.134 1.731) 5.645 14.096 ( 2.857 -6.312 2.214) 7.273 14.150 ( -4.499 -4.375 1.921) 6.563 14.161 ( -3.290 -5.381 2.825) 6.911 15.021 ( 4.504 5.604 -23.378) 24.458 15.063 ( 1.947 1.346 -20.165) 20.303 15.094 ( -2.063 2.748 -20.147) 20.438 15.111 ( -3.175 1.173 -21.789) 22.051 16.298 ( 2.473 3.849 16.618) 17.236 16.326 ( 3.295 1.214 17.526) 17.875 16.349 ( -2.394 4.534 14.230) 15.125 16.408 ( -4.670 -0.989 15.059) 15.797 17.905 ( 1.950 13.864 -0.356) 14.005 17.945 ( -2.257 13.336 0.722) 13.545 18.187 ( 2.661 -13.975 -8.336) 16.488 18.236 ( -2.434 -15.350 -6.820) 16.972 20.792 ( 3.414 2.282 0.549) 4.143 20.823 ( 2.565 0.383 -0.842) 2.726 20.878 ( -2.395 -0.780 1.264) 2.818 20.916 ( -3.849 -3.169 -0.340) 4.997 23.195 ( 1.262 -0.536 0.435) 1.438 23.213 ( -0.380 -0.288 -0.231) 0.530 23.251 ( 0.875 -5.270 0.474) 5.363 23.267 ( -0.564 -4.831 -0.122) 4.865======================= Grid point 130 (43/63) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 0.000 0.000 -27.678) 27.678 1.271 ( 0.000 0.000 27.678) 27.678 1.478 ( 0.000 0.000 -29.369) 29.369 1.478 ( 0.000 0.000 29.369) 29.369 2.038 ( 0.000 0.000 -8.046) 8.046 2.038 ( 0.000 0.000 8.046) 8.046 2.428 ( 0.000 0.000 -17.468) 17.468 2.428 ( 0.000 0.000 17.468) 17.468 2.790 ( 0.000 0.000 -5.269) 5.269 2.790 ( 0.000 0.000 5.269) 5.269 2.935 ( 0.000 0.000 -16.991) 16.991 2.935 ( 0.000 0.000 16.991) 16.991 3.104 ( 0.000 0.000 -6.563) 6.563 3.104 ( 0.000 0.000 6.563) 6.563 3.304 ( 0.000 0.000 -0.918) 0.918 3.304 ( 0.000 0.000 0.918) 0.918 3.438 ( 0.000 0.000 -4.120) 4.120 3.438 ( 0.000 0.000 4.120) 4.120 3.881 ( 0.000 0.000 -15.171) 15.171 3.881 ( 0.000 0.000 15.171) 15.171 4.301 ( 0.000 0.000 -1.534) 1.534 4.301 ( 0.000 0.000 1.534) 1.534 4.665 ( 0.000 0.000 -5.757) 5.757 4.665 ( 0.000 0.000 5.757) 5.757 4.695 ( 0.000 0.000 -1.887) 1.887 4.695 ( 0.000 0.000 1.887) 1.887 4.849 ( 0.000 0.000 -6.827) 6.827 4.849 ( 0.000 0.000 6.827) 6.827 5.504 ( 0.000 0.000 -0.762) 0.762 5.504 ( 0.000 0.000 0.762) 0.762 6.135 ( 0.000 0.000 -0.680) 0.680 6.135 ( 0.000 0.000 0.680) 0.680 6.659 ( 0.000 0.000 -7.018) 7.018 6.659 ( 0.000 0.000 7.018) 7.018 6.973 ( 0.000 0.000 -1.233) 1.233 6.973 ( 0.000 0.000 1.233) 1.233 7.144 ( 0.000 0.000 -0.799) 0.799 7.144 ( 0.000 0.000 0.799) 0.799 7.814 ( 0.000 0.000 -8.033) 8.033 7.814 ( 0.000 0.000 8.033) 8.033 7.919 ( 0.000 0.000 -8.825) 8.825 7.919 ( 0.000 0.000 8.825) 8.825 8.277 ( 0.000 0.000 -2.376) 2.376 8.277 ( 0.000 0.000 2.376) 2.376 8.670 ( 0.000 0.000 -7.895) 7.895 8.670 ( 0.000 0.000 7.895) 7.895 8.962 ( 0.000 0.000 -10.344) 10.344 8.962 ( 0.000 0.000 10.344) 10.344 9.314 ( 0.000 0.000 -8.781) 8.781 9.314 ( 0.000 0.000 8.781) 8.781 9.512 ( 0.000 0.000 -0.959) 0.959 9.512 ( 0.000 0.000 0.959) 0.959 9.857 ( 0.000 0.000 -0.825) 0.825 9.857 ( 0.000 0.000 0.825) 0.825 10.002 ( 0.000 0.000 -3.664) 3.664 10.002 ( 0.000 0.000 3.664) 3.664 10.402 ( 0.000 0.000 -2.139) 2.139 10.402 ( 0.000 0.000 2.139) 2.139 10.886 ( 0.000 0.000 -16.452) 16.452 10.886 ( 0.000 0.000 16.452) 16.452 11.030 ( 0.000 0.000 -3.771) 3.771 11.030 ( 0.000 0.000 3.771) 3.771 11.499 ( 0.000 0.000 -17.077) 17.077 11.499 ( 0.000 0.000 17.077) 17.077 12.107 ( 0.000 0.000 -19.841) 19.841 12.107 ( 0.000 0.000 19.841) 19.841 12.930 ( 0.000 0.000 -13.599) 13.599 12.930 ( 0.000 0.000 13.599) 13.599 12.985 ( 0.000 0.000 -12.833) 12.833 12.985 ( 0.000 0.000 12.833) 12.833 13.030 ( 0.000 0.000 -2.129) 2.129 13.030 ( 0.000 0.000 2.129) 2.129 13.380 ( 0.000 0.000 -4.506) 4.506 13.380 ( 0.000 0.000 4.506) 4.506 14.127 ( 0.000 0.000 -5.686) 5.686 14.127 ( 0.000 0.000 5.686) 5.686 14.542 ( 0.000 0.000 -3.290) 3.290 14.542 ( 0.000 0.000 3.290) 3.290 15.169 ( 0.000 0.000 -10.876) 10.876 15.169 ( 0.000 0.000 10.876) 10.876 16.425 ( 0.000 0.000 -3.481) 3.481 16.425 ( 0.000 0.000 3.481) 3.481 16.446 ( 0.000 0.000 -3.545) 3.545 16.446 ( 0.000 0.000 3.545) 3.545 17.549 ( 0.000 0.000 -27.510) 27.510 17.549 ( 0.000 0.000 27.510) 27.510 19.393 ( 0.000 0.000 -0.914) 0.914 19.393 ( 0.000 0.000 0.914) 0.914 20.158 ( 0.000 0.000 -7.145) 7.145 20.158 ( 0.000 0.000 7.145) 7.145 21.056 ( 0.000 0.000 -5.237) 5.237 21.056 ( 0.000 0.000 5.237) 5.237 23.648 ( 0.000 0.000 -9.970) 9.970 23.648 ( 0.000 0.000 9.970) 9.970 25.021 ( 0.000 0.000 -12.344) 12.344 25.021 ( 0.000 0.000 12.344) 12.344======================= Grid point 132 (44/63) =======================q-point: ( 0.20 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( -1.692 0.000 -24.376) 24.434 1.222 ( -1.692 0.000 24.376) 24.434 1.573 ( 9.481 0.000 -25.948) 27.626 1.573 ( 9.481 0.000 25.948) 27.626 2.108 ( -3.147 0.000 -3.720) 4.872 2.108 ( -3.147 0.000 3.720) 4.872 2.464 ( 11.210 0.000 -23.451) 25.993 2.464 ( 11.210 0.000 23.451) 25.993 2.628 ( -14.367 0.000 -8.335) 16.610 2.628 ( -14.367 0.000 8.335) 16.610 2.901 ( -0.114 0.000 -17.342) 17.342 2.901 ( -0.114 0.000 17.342) 17.342 3.105 ( 0.044 0.000 -5.034) 5.035 3.105 ( 0.044 0.000 5.034) 5.035 3.384 ( 5.996 0.000 -0.968) 6.074 3.384 ( 5.996 0.000 0.968) 6.074 3.558 ( 5.343 0.000 -6.535) 8.441 3.558 ( 5.343 0.000 6.535) 8.441 3.847 ( -1.019 0.000 -13.388) 13.427 3.847 ( -1.019 0.000 13.388) 13.427 4.343 ( 4.246 0.000 -1.141) 4.396 4.343 ( 4.246 0.000 1.141) 4.396 4.546 ( -9.471 0.000 -6.879) 11.705 4.546 ( -9.471 0.000 6.879) 11.705 4.663 ( -3.381 0.000 -1.738) 3.801 4.663 ( -3.381 0.000 1.738) 3.801 4.855 ( -0.992 0.000 -10.551) 10.598 4.855 ( -0.992 0.000 10.551) 10.598 5.527 ( 1.869 0.000 -10.244) 10.413 5.527 ( 1.869 0.000 10.244) 10.413 6.059 ( -5.094 0.000 -5.046) 7.171 6.059 ( -5.094 0.000 5.046) 7.171 6.789 ( 8.719 0.000 -8.848) 12.422 6.789 ( 8.719 0.000 8.848) 12.422 7.022 ( 5.516 0.000 -2.074) 5.893 7.022 ( 5.516 0.000 2.074) 5.893 7.221 ( 5.902 0.000 -2.608) 6.452 7.221 ( 5.902 0.000 2.608) 6.452 7.708 ( -4.876 0.000 -7.673) 9.091 7.708 ( -4.876 0.000 7.673) 9.091 7.995 ( 4.639 0.000 -5.570) 7.249 7.995 ( 4.639 0.000 5.570) 7.249 8.277 ( -0.002 0.000 -1.898) 1.898 8.277 ( -0.002 0.000 1.898) 1.898 8.683 ( 1.245 0.000 -6.658) 6.773 8.683 ( 1.245 0.000 6.658) 6.773 8.939 ( -2.026 0.000 -8.822) 9.052 8.939 ( -2.026 0.000 8.822) 9.052 9.285 ( -2.628 0.000 -6.994) 7.471 9.285 ( -2.628 0.000 6.994) 7.471 9.518 ( 0.437 0.000 -0.576) 0.723 9.518 ( 0.437 0.000 0.576) 0.723 9.825 ( -17.166 0.000 -7.219) 18.622 9.825 ( -17.166 0.000 7.219) 18.622 9.869 ( 1.063 0.000 -0.734) 1.292 9.869 ( 1.063 0.000 0.734) 1.292 10.401 ( -0.147 0.000 -1.752) 1.759 10.401 ( -0.147 0.000 1.752) 1.759 10.809 ( -5.142 0.000 -12.367) 13.394 10.809 ( -5.142 0.000 12.367) 13.394 11.026 ( 0.900 0.000 -9.095) 9.139 11.026 ( 0.900 0.000 9.095) 9.139 11.668 ( 12.224 0.000 -11.893) 17.055 11.668 ( 12.224 0.000 11.893) 17.055 12.211 ( 9.967 0.000 -13.115) 16.472 12.211 ( 9.967 0.000 13.115) 16.472 12.933 ( 0.272 0.000 -12.174) 12.177 12.933 ( 0.272 0.000 12.174) 12.177 12.940 ( -7.751 0.000 -2.477) 8.137 12.940 ( -7.751 0.000 2.477) 8.137 12.983 ( -0.260 0.000 -11.555) 11.558 12.983 ( -0.260 0.000 11.555) 11.558 13.471 ( 8.043 0.000 -6.266) 10.196 13.471 ( 8.043 0.000 6.266) 10.196 14.110 ( -2.303 0.000 -4.622) 5.164 14.110 ( -2.303 0.000 4.622) 5.164 14.503 ( -3.722 0.000 -2.344) 4.399 14.503 ( -3.722 0.000 2.344) 4.399 15.140 ( -2.479 0.000 -10.077) 10.377 15.140 ( -2.479 0.000 10.077) 10.377 16.426 ( 0.102 0.000 -3.115) 3.117 16.426 ( 0.102 0.000 3.115) 3.117 16.445 ( -0.098 0.000 -3.167) 3.168 16.445 ( -0.098 0.000 3.167) 3.168 17.583 ( 3.321 0.000 -23.990) 24.219 17.583 ( 3.321 0.000 23.990) 24.219 19.380 ( -1.900 0.000 -2.242) 2.939 19.380 ( -1.900 0.000 2.242) 2.939 20.072 ( -10.614 0.000 -9.366) 14.156 20.072 ( -10.614 0.000 9.366) 14.156 20.622 ( -29.857 0.000 -11.118) 31.860 20.622 ( -29.857 0.000 11.118) 31.860 23.889 ( 16.367 0.000 -14.645) 21.962 23.889 ( 16.367 0.000 14.645) 21.962 25.120 ( 9.066 0.000 -8.972) 12.755 25.120 ( 9.066 0.000 8.972) 12.755======================= Grid point 134 (45/63) =======================q-point: ( 0.40 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.263 ( 4.224 0.000 -11.179) 11.950 1.263 ( 4.224 0.000 11.179) 11.950 1.782 ( 10.154 0.000 -14.472) 17.679 1.782 ( 10.154 0.000 14.472) 17.679 1.923 ( -9.603 0.000 -1.349) 9.697 1.923 ( -9.603 0.000 1.349) 9.697 2.353 ( -11.969 0.000 -8.258) 14.542 2.353 ( -11.969 0.000 8.258) 14.542 2.718 ( 6.564 0.000 -1.067) 6.650 2.718 ( 6.564 0.000 1.067) 6.650 3.056 ( 19.673 0.000 -24.816) 31.668 3.056 ( 19.673 0.000 24.816) 31.668 3.105 ( 0.010 0.000 -1.874) 1.874 3.105 ( 0.010 0.000 1.874) 1.874 3.452 ( -16.270 0.000 -6.112) 17.380 3.452 ( -16.270 0.000 6.112) 17.380 3.468 ( 2.395 0.000 -0.459) 2.439 3.468 ( 2.395 0.000 0.459) 2.439 3.827 ( -2.627 0.000 -10.147) 10.482 3.827 ( -2.627 0.000 10.147) 10.482 4.447 ( 6.248 0.000 -0.837) 6.304 4.447 ( 6.248 0.000 0.837) 6.304 4.526 ( 9.168 0.000 -6.001) 10.957 4.526 ( 9.168 0.000 6.001) 10.957 4.575 ( -5.660 0.000 -1.282) 5.803 4.575 ( -5.660 0.000 1.282) 5.803 4.752 ( -10.049 0.000 -9.550) 13.863 4.752 ( -10.049 0.000 9.550) 13.863 5.547 ( 0.156 0.000 -6.724) 6.725 5.547 ( 0.156 0.000 6.724) 6.725 6.004 ( -0.906 0.000 -3.702) 3.811 6.004 ( -0.906 0.000 3.702) 3.811 6.885 ( 2.317 0.000 -3.812) 4.461 6.885 ( 2.317 0.000 3.812) 4.461 7.077 ( -1.242 0.000 -2.763) 3.030 7.077 ( -1.242 0.000 2.763) 3.030 7.386 ( 12.839 0.000 -2.617) 13.103 7.386 ( 12.839 0.000 2.617) 13.103 7.619 ( -8.202 0.000 -4.366) 9.291 7.619 ( -8.202 0.000 4.366) 9.291 8.131 ( 8.680 0.000 -4.913) 9.974 8.131 ( 8.680 0.000 4.913) 9.974 8.277 ( 0.000 0.000 -0.710) 0.710 8.277 ( 0.000 0.000 0.710) 0.710 8.706 ( 0.859 0.000 -2.760) 2.890 8.706 ( 0.859 0.000 2.760) 2.890 8.895 ( -2.419 0.000 -3.906) 4.594 8.895 ( -2.419 0.000 3.906) 4.594 9.240 ( -1.576 0.000 -2.750) 3.170 9.240 ( -1.576 0.000 2.750) 3.170 9.499 ( -12.654 0.000 -5.915) 13.968 9.499 ( -12.654 0.000 5.915) 13.968 9.524 ( 0.172 0.000 -0.222) 0.280 9.524 ( 0.172 0.000 0.222) 0.280 9.887 ( 0.620 0.000 -0.317) 0.696 9.887 ( 0.620 0.000 0.317) 0.696 10.398 ( -0.094 0.000 -0.684) 0.690 10.398 ( -0.094 0.000 0.684) 0.690 10.748 ( -1.460 0.000 -4.696) 4.918 10.748 ( -1.460 0.000 4.696) 4.918 11.049 ( 0.953 0.000 -3.693) 3.814 11.049 ( 0.953 0.000 3.693) 3.814 11.838 ( 4.903 0.000 -3.317) 5.920 11.838 ( 4.903 0.000 3.317) 5.920 12.405 ( 8.078 0.000 -3.966) 8.999 12.405 ( 8.078 0.000 3.966) 8.999 12.797 ( -5.995 0.000 -2.005) 6.321 12.797 ( -5.995 0.000 2.005) 6.321 12.938 ( 0.211 0.000 -5.850) 5.854 12.938 ( 0.211 0.000 5.850) 5.854 12.977 ( -0.204 0.000 -5.614) 5.618 12.977 ( -0.204 0.000 5.614) 5.618 13.631 ( 7.299 0.000 -5.855) 9.357 13.631 ( 7.299 0.000 5.855) 9.357 14.027 ( -5.440 0.000 -4.162) 6.850 14.027 ( -5.440 0.000 4.162) 6.850 14.440 ( -2.041 0.000 -1.606) 2.597 14.440 ( -2.041 0.000 1.606) 2.597 15.101 ( -1.212 0.000 -4.429) 4.592 15.101 ( -1.212 0.000 4.429) 4.592 16.428 ( 0.078 0.000 -1.486) 1.489 16.428 ( 0.078 0.000 1.486) 1.489 16.443 ( -0.076 0.000 -1.506) 1.508 16.443 ( -0.076 0.000 1.506) 1.508 17.647 ( 2.511 0.000 -10.651) 10.943 17.647 ( 2.511 0.000 10.651) 10.943 19.304 ( -4.855 0.000 -4.588) 6.680 19.304 ( -4.855 0.000 4.588) 6.680 19.824 ( -8.900 0.000 -5.564) 10.496 19.824 ( -8.900 0.000 5.564) 10.496 20.319 ( -5.304 0.000 -4.364) 6.868 20.319 ( -5.304 0.000 4.364) 6.868 24.089 ( 4.898 0.000 -6.374) 8.039 24.089 ( 4.898 0.000 6.374) 8.039 25.270 ( 4.934 0.000 -2.892) 5.720 25.270 ( 4.934 0.000 2.892) 5.720======================= Grid point 140 (46/63) =======================q-point: ( 0.00 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.297 ( 0.000 2.792 -7.681) 8.173 1.297 ( 0.000 2.792 7.681) 8.173 1.550 ( 0.000 12.802 -5.027) 13.753 1.550 ( 0.000 12.802 5.027) 13.753 2.181 ( 0.000 5.687 -5.793) 8.118 2.181 ( 0.000 5.687 5.793) 8.118 2.608 ( 0.000 19.821 -21.270) 29.074 2.608 ( 0.000 19.821 21.270) 29.074 2.903 ( 0.000 9.678 -4.591) 10.711 2.903 ( 0.000 9.678 4.591) 10.711 2.999 ( 0.000 7.479 -17.412) 18.950 2.999 ( 0.000 7.479 17.412) 18.950 3.133 ( 0.000 2.326 -0.814) 2.464 3.133 ( 0.000 2.326 0.814) 2.464 3.353 ( 0.000 5.042 -4.170) 6.543 3.353 ( 0.000 5.042 4.170) 6.543 3.556 ( 0.000 8.098 -0.634) 8.123 3.556 ( 0.000 8.098 0.634) 8.123 3.834 ( 0.000 3.545 -8.697) 9.392 3.834 ( 0.000 3.545 8.697) 9.392 4.624 ( 0.000 4.166 -5.315) 6.753 4.624 ( 0.000 4.166 5.315) 6.753 4.741 ( 0.000 17.749 -3.843) 18.160 4.741 ( 0.000 17.749 3.843) 18.160 4.877 ( 0.000 11.577 -0.086) 11.577 4.877 ( 0.000 11.577 0.086) 11.577 5.068 ( 0.000 32.081 -1.279) 32.106 5.068 ( 0.000 32.081 1.279) 32.106 5.551 ( 0.000 6.172 -1.504) 6.352 5.551 ( 0.000 6.172 1.504) 6.352 6.066 ( 0.000 -4.397 -3.359) 5.533 6.066 ( 0.000 -4.397 3.359) 5.533 6.665 ( 0.000 0.756 -5.911) 5.959 6.665 ( 0.000 0.756 5.911) 5.959 6.978 ( 0.000 -0.000 -1.346) 1.346 6.978 ( 0.000 -0.000 1.346) 1.346 7.082 ( 0.000 -3.229 -0.714) 3.307 7.082 ( 0.000 -3.229 0.714) 3.307 7.704 ( 0.000 -5.457 -9.554) 11.003 7.704 ( 0.000 -5.457 9.554) 11.003 7.909 ( 0.000 0.276 -9.494) 9.498 7.909 ( 0.000 0.276 9.494) 9.498 8.501 ( 0.000 13.767 -3.941) 14.320 8.501 ( 0.000 13.767 3.941) 14.320 8.807 ( 0.000 0.556 -4.643) 4.676 8.807 ( 0.000 0.556 4.643) 4.676 9.016 ( 0.000 11.406 -1.247) 11.474 9.016 ( 0.000 11.406 1.247) 11.474 9.345 ( 0.000 6.092 -4.439) 7.538 9.345 ( 0.000 6.092 4.439) 7.538 9.512 ( 0.000 1.875 -0.223) 1.889 9.512 ( 0.000 1.875 0.223) 1.889 9.875 ( 0.000 3.139 -2.699) 4.140 9.875 ( 0.000 3.139 2.699) 4.140 10.273 ( 0.000 -0.886 -0.285) 0.931 10.273 ( 0.000 -0.886 0.285) 0.931 10.448 ( 0.000 24.062 -15.247) 28.486 10.448 ( 0.000 24.062 15.247) 28.486 10.963 ( 0.000 5.417 -6.897) 8.770 10.963 ( 0.000 5.417 6.897) 8.770 11.047 ( 0.000 2.754 -10.654) 11.004 11.047 ( 0.000 2.754 10.654) 11.004 11.649 ( 0.000 13.206 -21.788) 25.478 11.649 ( 0.000 13.206 21.788) 25.478 12.082 ( 0.000 -2.502 -19.561) 19.720 12.082 ( 0.000 -2.502 19.561) 19.720 12.546 ( 0.000 -27.707 -7.339) 28.663 12.546 ( 0.000 -27.707 7.339) 28.663 12.567 ( 0.000 -27.078 -9.173) 28.590 12.567 ( 0.000 -27.078 9.173) 28.590 13.159 ( 0.000 1.389 -4.329) 4.547 13.159 ( 0.000 1.389 4.329) 4.547 13.519 ( 0.000 8.588 -0.723) 8.618 13.519 ( 0.000 8.588 0.723) 8.618 14.431 ( 0.000 23.530 -9.523) 25.384 14.431 ( 0.000 23.530 9.523) 25.384 14.602 ( 0.000 4.667 -1.191) 4.817 14.602 ( 0.000 4.667 1.191) 4.817 15.167 ( 0.000 0.180 -8.728) 8.730 15.167 ( 0.000 0.180 8.728) 8.730 16.289 ( 0.000 -11.550 -3.511) 12.072 16.289 ( 0.000 -11.550 3.511) 12.072 16.315 ( 0.000 -11.405 -3.678) 11.984 16.315 ( 0.000 -11.405 3.678) 11.984 17.653 ( 0.000 8.445 -29.234) 30.430 17.653 ( 0.000 8.445 29.234) 30.430 19.521 ( 0.000 9.584 -0.541) 9.599 19.521 ( 0.000 9.584 0.541) 9.599 20.209 ( 0.000 4.985 -5.879) 7.708 20.209 ( 0.000 4.985 5.879) 7.708 20.852 ( 0.000 -16.820 -4.066) 17.304 20.852 ( 0.000 -16.820 4.066) 17.304 23.598 ( 0.000 -4.352 -9.222) 10.198 23.598 ( 0.000 -4.352 9.222) 10.198 24.874 ( 0.000 -13.611 -10.215) 17.018 24.874 ( 0.000 -13.611 10.215) 17.018======================= Grid point 142 (47/63) =======================q-point: ( 0.20 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.316 ( 2.564 8.934 -16.979) 19.356 1.316 ( 2.564 8.934 16.979) 19.356 1.641 ( 9.335 8.906 -21.442) 25.024 1.641 ( 9.335 8.906 21.442) 25.024 2.142 ( -5.883 3.230 -4.410) 8.031 2.142 ( -5.883 3.230 4.410) 8.031 2.622 ( -5.138 11.279 -7.580) 14.529 2.622 ( -5.138 11.279 7.580) 14.529 2.754 ( -4.263 11.026 -8.166) 14.368 2.754 ( -4.263 11.026 8.166) 14.368 3.012 ( 3.895 13.237 -21.139) 25.243 3.012 ( 3.895 13.237 21.139) 25.243 3.158 ( 0.189 4.400 -6.057) 7.489 3.158 ( 0.189 4.400 6.057) 7.489 3.426 ( 6.640 4.177 -2.492) 8.231 3.426 ( 6.640 4.177 2.492) 8.231 3.627 ( 2.608 6.258 -4.517) 8.147 3.627 ( 2.608 6.258 4.517) 8.147 3.853 ( 2.737 4.898 -8.937) 10.552 3.853 ( 2.737 4.898 8.937) 10.552 4.536 ( -7.437 5.367 -5.191) 10.539 4.536 ( -7.437 5.367 5.191) 10.539 4.689 ( -4.102 9.561 -3.733) 11.053 4.689 ( -4.102 9.561 3.733) 11.053 4.906 ( 2.830 24.469 -5.194) 25.174 4.906 ( 2.830 24.469 5.194) 25.174 5.095 ( 1.064 30.432 -1.876) 30.508 5.095 ( 1.064 30.432 1.876) 30.508 5.547 ( -0.357 3.398 -8.007) 8.706 5.547 ( -0.357 3.398 8.007) 8.706 6.018 ( -3.509 -2.770 -5.110) 6.790 6.018 ( -3.509 -2.770 5.110) 6.790 6.768 ( 7.961 -1.357 -6.690) 10.486 6.768 ( 7.961 -1.357 6.690) 10.486 7.021 ( 4.243 -0.397 -2.029) 4.720 7.021 ( 4.243 -0.397 2.029) 4.720 7.159 ( 7.391 -3.269 -0.863) 8.128 7.159 ( 7.391 -3.269 0.863) 8.128 7.632 ( -4.649 -4.485 -5.879) 8.735 7.632 ( -4.649 -4.485 5.879) 8.735 7.898 ( -2.709 -2.558 -5.410) 6.569 7.898 ( -2.709 -2.558 5.410) 6.569 8.546 ( 4.559 14.157 -3.607) 15.304 8.546 ( 4.559 14.157 3.607) 15.304 8.799 ( -0.677 0.231 -4.217) 4.277 8.799 ( -0.677 0.231 4.217) 4.277 9.015 ( -0.119 11.734 -1.525) 11.833 9.015 ( -0.119 11.734 1.525) 11.833 9.349 ( 0.379 7.176 -3.051) 7.807 9.349 ( 0.379 7.176 3.051) 7.807 9.509 ( -0.047 3.929 -1.905) 4.366 9.509 ( -0.047 3.929 1.905) 4.366 9.843 ( -3.544 2.492 -4.379) 6.160 9.843 ( -3.544 2.492 4.379) 6.160 10.186 ( -10.110 13.017 -10.983) 19.806 10.186 ( -10.110 13.017 10.983) 19.806 10.387 ( -4.794 11.238 -6.708) 13.938 10.387 ( -4.794 11.238 6.708) 13.938 10.848 ( -6.990 1.968 -7.639) 10.540 10.848 ( -6.990 1.968 7.639) 10.540 11.060 ( 1.628 4.666 -10.322) 11.444 11.060 ( 1.628 4.666 10.322) 11.444 11.781 ( 9.137 8.342 -10.203) 16.037 11.781 ( 9.137 8.342 10.203) 16.037 12.195 ( 10.700 -1.977 -9.187) 14.241 12.195 ( 10.700 -1.977 9.187) 14.241 12.538 ( -0.934 -26.370 -7.146) 27.337 12.538 ( -0.934 -26.370 7.146) 27.337 12.580 ( 1.593 -26.280 -9.331) 27.933 12.580 ( 1.593 -26.280 9.331) 27.933 13.057 ( -8.595 0.285 -5.101) 9.999 13.057 ( -8.595 0.285 5.101) 9.999 13.632 ( 10.051 9.721 -4.211) 14.603 13.632 ( 10.051 9.721 4.211) 14.603 14.403 ( -4.557 21.525 -7.872) 23.368 14.403 ( -4.557 21.525 7.872) 23.368 14.563 ( -2.710 5.892 -1.515) 6.660 14.563 ( -2.710 5.892 1.515) 6.660 15.144 ( -1.960 0.642 -8.025) 8.285 15.144 ( -1.960 0.642 8.025) 8.285 16.283 ( -0.457 -12.399 -1.962) 12.561 16.283 ( -0.457 -12.399 1.962) 12.561 16.323 ( 0.601 -10.464 -2.129) 10.695 16.323 ( 0.601 -10.464 2.129) 10.695 17.686 ( 3.241 8.362 -25.587) 27.113 17.686 ( 3.241 8.362 25.587) 27.113 19.500 ( -3.092 7.943 -2.683) 8.936 19.500 ( -3.092 7.943 2.683) 8.936 20.091 ( -13.925 2.161 -8.616) 16.517 20.091 ( -13.925 2.161 8.616) 16.517 20.550 ( -19.236 -4.516 -10.503) 22.377 20.550 ( -19.236 -4.516 10.503) 22.377 23.808 ( 15.287 -7.158 -12.956) 21.279 23.808 ( 15.287 -7.158 12.956) 21.279 24.953 ( 7.395 -15.400 -7.895) 18.819 24.953 ( 7.395 -15.400 7.895) 18.819======================= Grid point 144 (48/63) =======================q-point: ( 0.40 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.395 ( 4.475 12.582 -8.813) 16.000 1.395 ( 4.475 12.582 8.813) 16.000 1.826 ( 5.250 5.106 -12.003) 14.060 1.826 ( 5.250 5.106 12.003) 14.060 2.032 ( 0.726 8.938 -4.030) 9.831 2.032 ( 0.726 8.938 4.030) 9.831 2.353 ( -15.589 2.098 -9.299) 18.273 2.353 ( -15.589 2.098 9.299) 18.273 2.803 ( 2.168 6.820 -2.491) 7.578 2.803 ( 2.168 6.820 2.491) 7.578 3.118 ( 0.946 3.009 -0.909) 3.282 3.118 ( 0.946 3.009 0.909) 3.282 3.260 ( 15.877 16.501 -20.920) 31.016 3.260 ( 15.877 16.501 20.920) 31.016 3.497 ( -2.813 7.242 -3.633) 8.576 3.497 ( -2.813 7.242 3.633) 8.576 3.607 ( -2.462 9.761 -2.831) 10.457 3.607 ( -2.462 9.761 2.831) 10.457 3.839 ( -4.786 4.708 -10.051) 12.087 3.839 ( -4.786 4.708 10.051) 12.087 4.463 ( 0.846 2.091 -2.605) 3.446 4.463 ( 0.846 2.091 2.605) 3.446 4.649 ( -0.622 3.393 -2.478) 4.247 4.649 ( -0.622 3.393 2.478) 4.247 4.955 ( 2.493 35.046 -2.764) 35.243 4.955 ( 2.493 35.046 2.764) 35.243 5.067 ( -3.450 33.042 -1.859) 33.274 5.067 ( -3.450 33.042 1.859) 33.274 5.535 ( -0.660 -0.404 -5.840) 5.891 5.535 ( -0.660 -0.404 5.840) 5.891 5.978 ( -0.707 -2.192 -3.044) 3.817 5.978 ( -0.707 -2.192 3.044) 3.817 6.869 ( 2.547 -1.147 -3.151) 4.210 6.869 ( 2.547 -1.147 3.151) 4.210 7.070 ( 0.012 -0.768 -2.077) 2.214 7.070 ( 0.012 -0.768 2.077) 2.214 7.357 ( 13.107 -1.546 -1.552) 13.289 7.357 ( 13.107 -1.546 1.552) 13.289 7.564 ( -5.615 -4.372 -3.939) 8.134 7.564 ( -5.615 -4.372 3.939) 8.134 7.819 ( -3.361 -9.783 -2.417) 10.623 7.819 ( -3.361 -9.783 2.417) 10.623 8.662 ( 7.293 10.771 -3.736) 13.534 8.662 ( 7.293 10.771 3.736) 13.534 8.771 ( -3.218 4.306 -7.247) 9.023 8.771 ( -3.218 4.306 7.247) 9.023 9.007 ( -0.604 10.311 -0.368) 10.335 9.007 ( -0.604 10.311 0.368) 10.335 9.358 ( 0.454 3.736 -1.933) 4.231 9.358 ( 0.454 3.736 1.933) 4.231 9.526 ( 2.127 16.249 -2.985) 16.657 9.526 ( 2.127 16.249 2.985) 16.657 9.730 ( -7.729 9.215 -5.351) 13.164 9.730 ( -7.729 9.215 5.351) 13.164 9.989 ( -6.160 15.205 -6.306) 17.576 9.989 ( -6.160 15.205 6.306) 17.576 10.332 ( -1.180 -3.118 -1.286) 3.573 10.332 ( -1.180 -3.118 1.286) 3.573 10.772 ( -1.662 1.133 -3.786) 4.287 10.772 ( -1.662 1.133 3.786) 4.287 11.090 ( 1.107 5.431 -3.387) 6.496 11.090 ( 1.107 5.431 3.387) 6.496 11.904 ( 3.544 3.572 -1.187) 5.170 11.904 ( 3.544 3.572 1.187) 5.170 12.391 ( 7.859 -5.800 -3.590) 10.406 12.391 ( 7.859 -5.800 3.590) 10.406 12.507 ( -2.442 -24.748 -6.052) 25.594 12.507 ( -2.442 -24.748 6.052) 25.594 12.634 ( 3.714 -19.594 -6.587) 21.003 12.634 ( 3.714 -19.594 6.587) 21.003 12.898 ( -6.932 -3.074 -4.551) 8.844 12.898 ( -6.932 -3.074 4.551) 8.844 13.843 ( 10.795 13.496 -6.296) 18.393 13.843 ( 10.795 13.496 6.296) 18.393 14.236 ( -10.622 12.075 -6.516) 17.351 14.236 ( -10.622 12.075 6.516) 17.351 14.545 ( 0.076 12.449 -1.698) 12.565 14.545 ( 0.076 12.449 1.698) 12.565 15.114 ( -0.934 1.308 -3.516) 3.866 15.114 ( -0.934 1.308 3.516) 3.866 16.276 ( -0.197 -13.183 -0.585) 13.197 16.276 ( -0.197 -13.183 0.585) 13.197 16.332 ( 0.268 -9.568 -0.662) 9.594 16.332 ( 0.268 -9.568 0.662) 9.594 17.749 ( 2.518 8.294 -11.477) 14.383 17.749 ( 2.518 8.294 11.477) 14.383 19.379 ( -7.317 1.909 -6.618) 10.048 19.379 ( -7.317 1.909 6.618) 10.048 19.848 ( -6.359 5.933 -3.523) 9.383 19.848 ( -6.359 5.933 3.523) 9.383 20.360 ( -3.657 4.474 -3.207) 6.609 20.360 ( -3.657 4.474 3.207) 6.609 24.005 ( 5.081 -7.764 -5.958) 11.027 24.005 ( 5.081 -7.764 5.958) 11.027 25.081 ( 4.435 -17.521 -2.499) 18.245 25.081 ( 4.435 -17.521 2.499) 18.245======================= Grid point 150 (49/63) =======================q-point: ( 0.00 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( 0.000 16.676 -11.404) 20.202 1.495 ( 0.000 16.676 11.404) 20.202 1.920 ( 0.000 21.153 -13.088) 24.875 1.920 ( 0.000 21.153 13.088) 24.875 2.292 ( 0.000 7.478 -6.441) 9.870 2.292 ( 0.000 7.478 6.441) 9.870 2.973 ( 0.000 12.751 -3.788) 13.302 2.973 ( 0.000 12.751 3.788) 13.302 3.069 ( 0.000 4.599 -0.895) 4.685 3.069 ( 0.000 4.599 0.895) 4.685 3.275 ( 0.000 14.688 -5.294) 15.612 3.275 ( 0.000 14.688 5.294) 15.612 3.312 ( 0.000 17.408 -18.093) 25.108 3.312 ( 0.000 17.408 18.093) 25.108 3.426 ( 0.000 5.021 -12.005) 13.013 3.426 ( 0.000 5.021 12.005) 13.013 3.745 ( 0.000 12.001 -2.198) 12.200 3.745 ( 0.000 12.001 2.198) 12.200 4.067 ( 0.000 16.238 -4.178) 16.767 4.067 ( 0.000 16.238 4.178) 16.767 4.656 ( 0.000 1.652 -2.016) 2.606 4.656 ( 0.000 1.652 2.016) 2.606 4.835 ( 0.000 3.322 -9.237) 9.816 4.835 ( 0.000 3.322 9.237) 9.816 5.264 ( 0.000 8.949 -2.441) 9.276 5.264 ( 0.000 8.949 2.441) 9.276 5.741 ( 0.000 10.514 -2.642) 10.841 5.741 ( 0.000 10.514 2.642) 10.841 5.891 ( 0.000 36.842 -0.887) 36.853 5.891 ( 0.000 36.842 0.887) 36.853 6.191 ( 0.000 27.903 -5.498) 28.439 6.191 ( 0.000 27.903 5.498) 28.439 6.692 ( 0.000 2.345 -3.738) 4.412 6.692 ( 0.000 2.345 3.738) 4.412 6.973 ( 0.000 1.096 -0.617) 1.258 6.973 ( 0.000 1.096 0.617) 1.258 7.079 ( 0.000 2.337 -1.683) 2.880 7.079 ( 0.000 2.337 1.683) 2.880 7.675 ( 0.000 3.250 -4.518) 5.565 7.675 ( 0.000 3.250 4.518) 5.565 7.949 ( 0.000 3.722 -8.831) 9.583 7.949 ( 0.000 3.722 8.831) 9.583 8.693 ( 0.000 -1.390 -2.264) 2.657 8.693 ( 0.000 -1.390 2.264) 2.657 8.765 ( 0.000 6.340 -5.612) 8.467 8.765 ( 0.000 6.340 5.612) 8.467 9.110 ( 0.000 0.051 -1.097) 1.099 9.110 ( 0.000 0.051 1.097) 1.099 9.529 ( 0.000 1.940 -1.663) 2.555 9.529 ( 0.000 1.940 1.663) 2.555 9.718 ( 0.000 17.104 -3.269) 17.414 9.718 ( 0.000 17.104 3.269) 17.414 10.011 ( 0.000 8.637 -11.226) 14.163 10.011 ( 0.000 8.637 11.226) 14.163 10.210 ( 0.000 3.209 -5.775) 6.607 10.210 ( 0.000 3.209 5.775) 6.607 10.843 ( 0.000 5.170 -10.650) 11.839 10.843 ( 0.000 5.170 10.650) 11.839 11.007 ( 0.000 0.540 -16.232) 16.241 11.007 ( 0.000 0.540 16.232) 16.241 11.234 ( 0.000 14.070 -12.132) 18.578 11.234 ( 0.000 14.070 12.132) 18.578 11.839 ( 0.000 -4.833 -14.144) 14.947 11.839 ( 0.000 -4.833 14.144) 14.947 11.917 ( 0.000 -23.097 -9.474) 24.964 11.917 ( 0.000 -23.097 9.474) 24.964 12.057 ( 0.000 -11.580 -10.966) 15.948 12.057 ( 0.000 -11.580 10.966) 15.948 12.177 ( 0.000 3.834 -26.513) 26.789 12.177 ( 0.000 3.834 26.513) 26.789 13.145 ( 0.000 -1.873 -3.617) 4.073 13.145 ( 0.000 -1.873 3.617) 4.073 13.667 ( 0.000 6.618 -1.097) 6.708 13.667 ( 0.000 6.618 1.097) 6.708 14.662 ( 0.000 0.537 -4.190) 4.225 14.662 ( 0.000 0.537 4.190) 4.225 14.873 ( 0.000 16.741 -10.672) 19.853 14.873 ( 0.000 16.741 10.672) 19.853 15.178 ( 0.000 -0.245 -2.814) 2.825 15.178 ( 0.000 -0.245 2.814) 2.825 16.057 ( 0.000 -8.826 -1.778) 9.003 16.057 ( 0.000 -8.826 1.778) 9.003 16.078 ( 0.000 -9.406 -2.152) 9.649 16.078 ( 0.000 -9.406 2.152) 9.649 17.814 ( 0.000 6.276 -32.688) 33.285 17.814 ( 0.000 6.276 32.688) 33.285 19.575 ( 0.000 -9.058 -8.254) 12.254 19.575 ( 0.000 -9.058 8.254) 12.255 20.335 ( 0.000 6.345 -6.256) 8.910 20.335 ( 0.000 6.345 6.256) 8.910 20.620 ( 0.000 -0.041 -7.047) 7.047 20.620 ( 0.000 -0.041 7.047) 7.047 23.501 ( 0.000 -4.840 -6.474) 8.083 23.501 ( 0.000 -4.840 6.474) 8.083 24.519 ( 0.000 -20.541 -7.494) 21.865 24.519 ( 0.000 -20.541 7.494) 21.865======================= Grid point 152 (50/63) =======================q-point: ( 0.20 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( 8.180 17.117 -8.865) 20.940 1.581 ( 8.180 17.117 8.865) 20.940 1.930 ( 1.616 17.740 -13.764) 22.511 1.930 ( 1.616 17.740 13.764) 22.511 2.261 ( -3.286 8.908 -4.854) 10.664 2.261 ( -3.286 8.908 4.854) 10.664 2.812 ( -15.714 8.256 -5.182) 18.492 2.812 ( -15.714 8.256 5.182) 18.492 2.997 ( -3.768 11.989 -5.106) 13.565 2.997 ( -3.768 11.989 5.106) 13.565 3.220 ( -1.370 4.789 -1.192) 5.122 3.220 ( -1.370 4.789 1.192) 5.122 3.452 ( 7.718 19.565 -15.717) 26.256 3.452 ( 7.718 19.565 15.717) 26.256 3.542 ( 11.291 10.534 -7.388) 17.118 3.542 ( 11.291 10.534 7.388) 17.118 3.796 ( 3.072 10.811 -3.140) 11.669 3.796 ( 3.072 10.811 3.140) 11.669 4.072 ( 0.393 14.825 -5.976) 15.989 4.072 ( 0.393 14.825 5.976) 15.989 4.639 ( -2.110 5.093 -4.448) 7.084 4.639 ( -2.110 5.093 4.448) 7.084 4.769 ( -5.438 4.030 -6.915) 9.676 4.769 ( -5.438 4.030 6.915) 9.676 5.326 ( 5.793 6.698 -2.527) 9.209 5.326 ( 5.793 6.698 2.527) 9.209 5.739 ( -0.649 7.129 -2.347) 7.533 5.739 ( -0.649 7.129 2.347) 7.533 5.889 ( 0.122 41.431 -1.890) 41.474 5.889 ( 0.122 41.431 1.890) 41.474 6.147 ( -4.226 27.771 -4.766) 28.492 6.147 ( -4.226 27.771 4.766) 28.492 6.758 ( 6.073 0.937 -3.415) 7.030 6.758 ( 6.073 0.937 3.415) 7.030 7.006 ( 2.849 0.209 -0.791) 2.964 7.006 ( 2.849 0.209 0.791) 2.964 7.156 ( 8.153 2.646 -2.171) 8.843 7.156 ( 8.153 2.646 2.171) 8.843 7.611 ( -5.180 3.472 -3.006) 6.923 7.611 ( -5.180 3.472 3.006) 6.923 7.905 ( -5.613 2.764 -6.223) 8.824 7.905 ( -5.613 2.764 6.223) 8.824 8.666 ( -2.099 -2.954 -3.518) 5.051 8.666 ( -2.099 -2.954 3.518) 5.051 8.825 ( 5.792 6.996 -3.590) 9.766 8.825 ( 5.792 6.996 3.590) 9.766 9.128 ( 0.992 1.885 -1.677) 2.711 9.128 ( 0.992 1.885 1.677) 2.711 9.520 ( -0.478 3.185 -0.408) 3.247 9.520 ( -0.478 3.185 0.408) 3.247 9.741 ( 2.147 14.562 -4.313) 15.338 9.741 ( 2.147 14.562 4.313) 15.338 9.964 ( -4.620 7.276 -10.049) 13.239 9.964 ( -4.620 7.276 10.049) 13.239 10.220 ( 1.758 6.934 -6.556) 9.704 10.220 ( 1.758 6.934 6.556) 9.704 10.776 ( -8.670 1.810 -0.839) 8.897 10.776 ( -8.670 1.810 0.839) 8.897 10.875 ( -9.853 8.846 -15.423) 20.328 10.875 ( -9.853 8.846 15.423) 20.328 11.275 ( 3.530 15.464 -5.986) 16.954 11.275 ( 3.530 15.464 5.986) 16.954 11.797 ( -2.012 -12.494 -4.993) 13.605 11.797 ( -2.012 -12.494 4.993) 13.605 11.914 ( -0.449 -25.016 -6.613) 25.879 11.914 ( -0.449 -25.016 6.613) 25.879 12.086 ( 2.954 -10.815 -4.207) 11.974 12.086 ( 2.954 -10.815 4.207) 11.974 12.334 ( 12.686 4.980 -17.316) 22.036 12.334 ( 12.686 4.980 17.316) 22.036 13.038 ( -9.497 -1.467 -5.928) 11.291 13.038 ( -9.497 -1.467 5.928) 11.291 13.791 ( 11.534 6.499 -5.842) 14.471 13.791 ( 11.534 6.499 5.842) 14.471 14.598 ( -7.642 1.565 -6.695) 10.280 14.598 ( -7.642 1.565 6.695) 10.280 14.867 ( -0.078 16.308 -8.707) 18.487 14.867 ( -0.078 16.308 8.707) 18.487 15.161 ( -1.380 -0.191 -3.095) 3.394 15.161 ( -1.380 -0.191 3.095) 3.394 16.028 ( -1.747 -9.832 -0.365) 9.993 16.028 ( -1.747 -9.832 0.365) 9.993 16.109 ( 1.898 -8.471 -0.772) 8.715 16.109 ( 1.898 -8.471 0.772) 8.715 17.844 ( 2.941 6.005 -28.816) 29.582 17.844 ( 2.941 6.005 28.816) 29.582 19.468 ( -11.405 -13.201 -14.261) 22.532 19.468 ( -11.405 -13.201 14.261) 22.532 20.224 ( -8.531 11.460 -4.963) 15.124 20.224 ( -8.531 11.460 4.963) 15.124 20.564 ( -3.926 6.757 -4.627) 9.082 20.564 ( -3.926 6.757 4.627) 9.082 23.642 ( 11.410 -8.540 -9.331) 17.035 23.642 ( 11.410 -8.540 9.331) 17.035 24.561 ( 4.061 -22.126 -6.902) 23.531 24.561 ( 4.061 -22.126 6.902) 23.531======================= Grid point 154 (51/63) =======================q-point: ( 0.40 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.728 ( 5.185 19.181 -4.156) 20.300 1.728 ( 5.185 19.181 4.156) 20.300 1.991 ( 3.324 10.685 -9.820) 14.888 1.991 ( 3.324 10.685 9.820) 14.888 2.230 ( 3.711 10.524 -6.610) 12.970 2.230 ( 3.711 10.524 6.610) 12.970 2.478 ( -17.452 9.960 -10.226) 22.547 2.478 ( -17.452 9.960 10.226) 22.547 2.976 ( 0.270 10.165 -1.932) 10.351 2.976 ( 0.270 10.165 1.932) 10.351 3.186 ( -1.484 4.030 -1.178) 4.454 3.186 ( -1.484 4.030 1.178) 4.454 3.612 ( 7.026 13.565 -6.877) 16.753 3.612 ( 7.026 13.565 6.877) 16.753 3.733 ( 6.233 14.453 -4.883) 16.480 3.733 ( 6.233 14.453 4.883) 16.480 3.824 ( 1.914 13.463 -8.404) 15.986 3.824 ( 1.914 13.463 8.404) 15.986 4.045 ( -3.956 14.467 -8.275) 17.130 4.045 ( -3.956 14.467 8.275) 17.130 4.570 ( -3.440 8.313 -2.912) 9.456 4.570 ( -3.440 8.313 2.912) 9.456 4.713 ( -0.542 4.380 -2.670) 5.158 4.713 ( -0.542 4.380 2.670) 5.158 5.439 ( 4.802 1.469 -1.800) 5.335 5.439 ( 4.802 1.469 1.800) 5.335 5.702 ( -2.607 11.506 -1.590) 11.904 5.702 ( -2.607 11.506 1.590) 11.904 5.906 ( 1.299 43.487 -0.702) 43.512 5.906 ( 1.299 43.487 0.702) 43.512 6.066 ( -3.240 25.724 -2.451) 26.043 6.066 ( -3.240 25.724 2.451) 26.043 6.859 ( 3.333 0.766 -1.642) 3.794 6.859 ( 3.333 0.766 1.642) 3.794 7.048 ( 1.105 -0.769 -0.740) 1.537 7.048 ( 1.105 -0.769 0.740) 1.537 7.362 ( 12.363 2.382 -2.934) 12.927 7.362 ( 12.363 2.382 2.934) 12.927 7.528 ( -4.023 2.777 -2.699) 5.584 7.528 ( -4.023 2.777 2.699) 5.584 7.746 ( -9.057 1.051 -2.543) 9.466 7.746 ( -9.057 1.051 2.543) 9.466 8.638 ( -0.751 -4.267 -1.777) 4.683 8.638 ( -0.751 -4.267 1.777) 4.683 8.953 ( 6.993 7.711 -2.796) 10.779 8.953 ( 6.993 7.711 2.796) 10.779 9.101 ( -4.275 2.660 -2.010) 5.422 9.101 ( -4.275 2.660 2.010) 5.422 9.532 ( 1.465 7.017 -1.018) 7.240 9.532 ( 1.465 7.017 1.018) 7.240 9.787 ( 2.576 9.273 -5.670) 11.170 9.787 ( 2.576 9.273 5.670) 11.170 9.871 ( -4.394 5.647 -7.398) 10.292 9.871 ( -4.394 5.647 7.398) 10.292 10.301 ( 7.417 13.127 -1.975) 15.207 10.301 ( 7.417 13.127 1.975) 15.207 10.513 ( -14.862 12.662 -6.302) 20.516 10.513 ( -14.862 12.662 6.302) 20.516 10.775 ( -2.337 1.740 -4.711) 5.539 10.775 ( -2.337 1.740 4.711) 5.539 11.330 ( 1.699 17.416 -1.495) 17.563 11.330 ( 1.699 17.416 1.495) 17.563 11.782 ( -0.102 -19.755 -1.899) 19.846 11.782 ( -0.102 -19.755 1.899) 19.846 11.905 ( -0.334 -26.623 -2.717) 26.764 11.905 ( -0.334 -26.623 2.717) 26.764 12.141 ( 2.078 -8.740 -2.398) 9.298 12.141 ( 2.078 -8.740 2.398) 9.298 12.565 ( 10.577 4.361 -10.534) 15.552 12.565 ( 10.577 4.361 10.534) 15.552 12.846 ( -9.684 -1.939 -6.776) 11.977 12.846 ( -9.684 -1.939 6.776) 11.977 14.052 ( 15.347 7.260 -9.521) 19.465 14.052 ( 15.347 7.260 9.521) 19.465 14.377 ( -14.697 3.702 -9.903) 18.105 14.377 ( -14.697 3.702 9.903) 18.105 14.876 ( 0.572 14.808 -3.215) 15.164 14.876 ( 0.572 14.808 3.215) 15.164 15.140 ( -0.643 0.060 -1.608) 1.733 15.140 ( -0.643 0.060 1.608) 1.733 16.003 ( -0.774 -10.681 -0.131) 10.709 16.003 ( -0.774 -10.681 0.131) 10.709 16.135 ( 0.796 -7.836 -0.314) 7.882 16.135 ( 0.796 -7.836 0.314) 7.882 17.902 ( 2.359 5.508 -13.158) 14.458 17.902 ( 2.359 5.508 13.158) 14.458 19.236 ( -9.066 -14.074 -10.677) 19.856 19.236 ( -9.066 -14.074 10.677) 19.856 20.123 ( -2.109 17.917 -0.928) 18.064 20.123 ( -2.109 17.917 0.928) 18.064 20.508 ( -1.751 9.937 -1.429) 10.191 20.508 ( -1.751 9.937 1.429) 10.191 23.806 ( 4.756 -11.156 -4.810) 13.046 23.806 ( 4.756 -11.156 4.810) 13.046 24.637 ( 2.825 -24.743 -2.867) 25.068 24.637 ( 2.825 -24.743 2.867) 25.068======================= Grid point 160 (52/63) =======================q-point: ( 0.00 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( 0.000 21.655 -5.524) 22.348 1.900 ( 0.000 21.655 5.524) 22.348 2.292 ( 0.000 13.194 -7.135) 14.999 2.292 ( 0.000 13.194 7.135) 14.999 2.531 ( 0.000 16.952 -8.296) 18.874 2.531 ( 0.000 16.952 8.296) 18.874 3.149 ( 0.000 4.694 -1.351) 4.885 3.149 ( 0.000 4.694 1.351) 4.885 3.200 ( 0.000 9.438 -2.976) 9.896 3.200 ( 0.000 9.438 2.976) 9.896 3.409 ( 0.000 0.746 -14.503) 14.523 3.409 ( 0.000 0.746 14.503) 14.523 3.488 ( 0.000 6.889 -0.801) 6.936 3.488 ( 0.000 6.889 0.801) 6.936 3.770 ( 0.000 17.405 -2.053) 17.525 3.770 ( 0.000 17.405 2.053) 17.525 4.071 ( 0.000 18.022 -7.916) 19.684 4.071 ( 0.000 18.022 7.916) 19.684 4.378 ( 0.000 12.970 -11.592) 17.395 4.378 ( 0.000 12.970 11.592) 17.395 4.715 ( 0.000 5.483 -2.195) 5.906 4.715 ( 0.000 5.483 2.195) 5.906 4.944 ( 0.000 6.833 -9.577) 11.765 4.944 ( 0.000 6.833 9.577) 11.765 5.362 ( 0.000 4.366 -0.588) 4.405 5.362 ( 0.000 4.366 0.588) 4.405 5.726 ( 0.000 -3.710 -5.440) 6.585 5.726 ( 0.000 -3.710 5.440) 6.585 6.487 ( 0.000 12.262 -1.725) 12.383 6.487 ( 0.000 12.262 1.725) 12.383 6.779 ( 0.000 14.204 -3.649) 14.666 6.779 ( 0.000 14.204 3.649) 14.666 6.974 ( 0.000 29.675 -1.378) 29.707 6.974 ( 0.000 29.675 1.378) 29.707 7.097 ( 0.000 12.990 -0.064) 12.990 7.097 ( 0.000 12.990 0.064) 12.990 7.195 ( 0.000 13.468 -4.066) 14.068 7.195 ( 0.000 13.468 4.066) 14.068 7.849 ( 0.000 13.612 -1.972) 13.754 7.849 ( 0.000 13.612 1.972) 13.754 8.059 ( 0.000 7.527 -6.361) 9.855 8.059 ( 0.000 7.527 6.361) 9.855 8.661 ( 0.000 1.659 -2.952) 3.386 8.661 ( 0.000 1.659 2.952) 3.386 8.929 ( 0.000 8.874 -0.755) 8.907 8.929 ( 0.000 8.874 0.755) 8.907 9.164 ( 0.000 5.886 -2.728) 6.488 9.164 ( 0.000 5.886 2.728) 6.488 9.552 ( 0.000 0.136 -2.909) 2.913 9.552 ( 0.000 0.136 2.909) 2.913 9.806 ( 0.000 -5.831 -7.915) 9.831 9.806 ( 0.000 -5.831 7.915) 9.831 10.135 ( 0.000 5.749 -15.403) 16.441 10.135 ( 0.000 5.749 15.403) 16.441 10.433 ( 0.000 7.633 -0.032) 7.633 10.433 ( 0.000 7.633 0.032) 7.633 10.697 ( 0.000 -16.505 -4.678) 17.155 10.697 ( 0.000 -16.505 4.678) 17.155 10.908 ( 0.000 -6.295 -9.154) 11.109 10.908 ( 0.000 -6.295 9.154) 11.109 11.376 ( 0.000 -12.409 -4.773) 13.295 11.376 ( 0.000 -12.409 4.773) 13.295 11.614 ( 0.000 9.775 -8.496) 12.951 11.614 ( 0.000 9.775 8.496) 12.951 11.807 ( 0.000 0.732 -4.499) 4.558 11.807 ( 0.000 0.732 4.499) 4.558 11.888 ( 0.000 -1.794 -15.676) 15.778 11.888 ( 0.000 -1.794 15.676) 15.778 12.452 ( 0.000 14.872 -36.665) 39.566 12.452 ( 0.000 14.872 36.665) 39.566 13.104 ( 0.000 -1.885 -3.745) 4.193 13.104 ( 0.000 -1.885 3.745) 4.193 13.807 ( 0.000 7.408 -2.352) 7.773 13.807 ( 0.000 7.408 2.352) 7.773 14.641 ( 0.000 -1.640 -6.690) 6.888 14.641 ( 0.000 -1.640 6.690) 6.888 14.987 ( 0.000 -5.784 -0.946) 5.861 14.987 ( 0.000 -5.784 0.946) 5.861 15.089 ( 0.000 -9.093 -3.369) 9.698 15.089 ( 0.000 -9.093 3.369) 9.698 16.019 ( 0.000 5.361 -4.531) 7.019 16.019 ( 0.000 5.361 4.531) 7.019 16.041 ( 0.000 6.249 -2.763) 6.832 16.041 ( 0.000 6.249 2.763) 6.832 17.888 ( 0.000 1.303 -33.541) 33.566 17.888 ( 0.000 1.303 33.541) 33.566 19.197 ( 0.000 -23.925 -21.770) 32.348 19.197 ( 0.000 -23.925 21.770) 32.348 20.473 ( 0.000 7.340 -4.475) 8.597 20.473 ( 0.000 7.340 4.475) 8.597 20.787 ( 0.000 11.443 -0.349) 11.448 20.787 ( 0.000 11.443 0.349) 11.448 23.410 ( 0.000 -4.061 -3.589) 5.419 23.410 ( 0.000 -4.061 3.589) 5.419 24.082 ( 0.000 -21.950 -5.400) 22.604 24.082 ( 0.000 -21.950 5.400) 22.604======================= Grid point 162 (53/63) =======================q-point: ( 0.20 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( 6.996 20.157 -4.915) 21.895 1.969 ( 6.996 20.157 4.915) 21.895 2.263 ( -2.566 13.585 -6.380) 15.226 2.263 ( -2.566 13.585 6.380) 15.226 2.508 ( -2.275 15.366 -7.626) 17.305 2.508 ( -2.275 15.366 7.626) 17.305 2.977 ( -13.924 7.927 -6.165) 17.167 2.977 ( -13.924 7.927 6.165) 17.167 3.219 ( -2.011 9.925 -2.856) 10.522 3.219 ( -2.011 9.925 2.856) 10.522 3.313 ( -2.512 4.444 -5.839) 7.756 3.313 ( -2.512 4.444 5.839) 7.756 3.604 ( 8.486 4.102 -4.816) 10.585 3.604 ( 8.486 4.102 4.816) 10.585 3.912 ( 9.880 15.336 -1.889) 18.341 3.912 ( 9.880 15.336 1.889) 18.341 4.078 ( 0.799 15.122 -7.089) 16.721 4.078 ( 0.799 15.122 7.089) 16.721 4.369 ( -0.604 13.537 -12.774) 18.622 4.369 ( -0.604 13.537 12.774) 18.622 4.742 ( 2.435 6.392 -5.144) 8.559 4.742 ( 2.435 6.392 5.144) 8.559 4.911 ( -3.387 9.351 -7.564) 12.495 4.911 ( -3.387 9.351 7.564) 12.495 5.384 ( 2.342 2.411 -2.273) 4.058 5.384 ( 2.342 2.411 2.273) 4.058 5.703 ( -2.231 -4.432 -3.937) 6.335 5.703 ( -2.231 -4.432 3.937) 6.335 6.530 ( 4.096 13.696 -1.305) 14.355 6.530 ( 4.096 13.696 1.305) 14.355 6.772 ( -1.385 17.526 -2.953) 17.827 6.772 ( -1.385 17.526 2.953) 17.827 6.965 ( 0.322 24.592 -0.972) 24.613 6.965 ( 0.322 24.592 0.972) 24.613 7.117 ( 1.327 14.603 -1.267) 14.718 7.117 ( 1.327 14.603 1.267) 14.718 7.270 ( 7.860 10.747 -4.982) 14.216 7.270 ( 7.860 10.747 4.982) 14.216 7.799 ( -4.449 14.851 -3.043) 15.799 7.799 ( -4.449 14.851 3.043) 15.799 8.007 ( -5.950 8.088 -5.399) 11.400 8.007 ( -5.950 8.088 5.399) 11.400 8.632 ( -2.350 1.650 -2.712) 3.950 8.632 ( -2.350 1.650 2.712) 3.950 8.977 ( 4.657 8.530 -1.185) 9.790 8.977 ( 4.657 8.530 1.185) 9.790 9.191 ( 1.842 4.298 -3.307) 5.727 9.191 ( 1.842 4.298 3.307) 5.727 9.562 ( 0.678 1.165 -3.284) 3.550 9.562 ( 0.678 1.165 3.284) 3.550 9.812 ( 1.593 -4.702 -6.449) 8.139 9.812 ( 1.593 -4.702 6.449) 8.139 10.113 ( -2.301 8.025 -11.840) 14.487 10.113 ( -2.301 8.025 11.840) 14.487 10.442 ( 0.082 3.669 -4.286) 5.642 10.442 ( 0.082 3.669 4.286) 5.642 10.623 ( -5.442 -10.473 -3.656) 12.355 10.623 ( -5.442 -10.473 3.656) 12.355 10.895 ( -2.290 -8.090 -5.204) 9.888 10.895 ( -2.290 -8.090 5.204) 9.888 11.370 ( -0.603 -12.735 -4.798) 13.622 11.370 ( -0.603 -12.735 4.798) 13.622 11.501 ( -8.314 -0.262 -12.403) 14.934 11.501 ( -8.314 -0.262 12.403) 14.934 11.831 ( 2.008 13.336 -10.829) 17.296 11.831 ( 2.008 13.336 10.829) 17.296 11.969 ( 5.921 -3.776 -7.406) 10.206 11.969 ( 5.921 -3.776 7.406) 10.206 12.520 ( 6.537 11.111 -30.567) 33.174 12.520 ( 6.537 11.111 30.567) 33.174 13.017 ( -8.137 -0.406 -8.623) 11.863 13.017 ( -8.137 -0.406 8.623) 11.863 13.918 ( 10.746 6.427 -7.040) 14.364 13.918 ( 10.746 6.427 7.040) 14.364 14.598 ( -5.155 -0.516 -8.006) 9.537 14.598 ( -5.155 -0.516 8.006) 9.537 14.984 ( -0.325 -5.268 -0.951) 5.363 14.984 ( -0.325 -5.268 0.951) 5.363 15.066 ( -1.690 -9.624 -1.611) 9.903 15.066 ( -1.690 -9.624 1.611) 9.903 15.997 ( -1.658 7.065 -2.508) 7.678 15.997 ( -1.658 7.065 2.508) 7.678 16.062 ( 1.549 4.386 -1.012) 4.761 16.062 ( 1.549 4.386 1.012) 4.761 17.911 ( 2.236 0.910 -29.671) 29.769 17.911 ( 2.236 0.910 29.671) 29.769 19.084 ( -10.493 -21.881 -22.433) 33.047 19.084 ( -10.493 -21.881 22.433) 33.047 20.461 ( -0.737 10.423 -2.929) 10.852 20.461 ( -0.737 10.423 2.929) 10.852 20.767 ( -1.965 11.238 -0.839) 11.439 20.767 ( -1.965 11.238 0.839) 11.439 23.483 ( 6.281 -7.034 -5.604) 10.970 23.483 ( 6.281 -7.034 5.604) 10.970 24.102 ( 2.003 -22.456 -5.374) 23.177 24.102 ( 2.003 -22.456 5.374) 23.177======================= Grid point 164 (54/63) =======================q-point: ( 0.40 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.121 ( 6.513 18.752 -0.351) 19.853 2.121 ( 6.513 18.752 0.351) 19.853 2.228 ( 0.081 12.249 -6.428) 13.834 2.228 ( 0.081 12.249 6.428) 13.834 2.458 ( -2.736 11.767 -4.764) 12.987 2.458 ( -2.736 11.767 4.764) 12.987 2.720 ( -10.095 13.057 -6.014) 17.566 2.720 ( -10.095 13.057 6.014) 17.566 3.197 ( -0.115 11.239 -1.521) 11.342 3.197 ( -0.115 11.239 1.521) 11.342 3.284 ( -1.058 5.467 -1.074) 5.671 3.284 ( -1.058 5.467 1.074) 5.671 3.783 ( 9.834 4.299 -3.862) 11.406 3.783 ( 9.834 4.299 3.862) 11.406 3.942 ( -5.965 8.122 -1.317) 10.163 3.942 ( -5.965 8.122 1.317) 10.163 4.170 ( 6.527 15.549 -5.794) 17.831 4.170 ( 6.527 15.549 5.794) 17.831 4.358 ( -0.845 14.919 -9.747) 17.840 4.358 ( -0.845 14.919 9.747) 17.840 4.777 ( 0.481 11.201 -7.212) 13.331 4.777 ( 0.481 11.201 7.212) 13.331 4.847 ( -1.976 9.610 -3.403) 10.385 4.847 ( -1.976 9.610 3.403) 10.385 5.435 ( 2.255 0.090 -1.883) 2.940 5.435 ( 2.255 0.090 1.883) 2.940 5.658 ( -1.967 -5.981 -1.110) 6.393 5.658 ( -1.967 -5.981 1.110) 6.393 6.615 ( 4.385 16.988 -1.609) 17.618 6.615 ( 4.385 16.988 1.609) 17.618 6.716 ( -3.998 22.471 -2.759) 22.991 6.716 ( -3.998 22.471 2.759) 22.991 7.001 ( 2.351 16.875 -0.460) 17.044 7.001 ( 2.351 16.875 0.460) 17.044 7.131 ( 0.091 14.542 -0.549) 14.552 7.131 ( 0.091 14.542 0.549) 14.552 7.465 ( 11.875 8.064 -5.597) 15.407 7.465 ( 11.875 8.064 5.597) 15.407 7.691 ( -7.998 11.657 -4.918) 14.968 7.691 ( -7.998 11.657 4.918) 14.968 7.872 ( -5.653 14.234 -1.690) 15.408 7.872 ( -5.653 14.234 1.690) 15.408 8.596 ( -1.092 1.472 -1.024) 2.100 8.596 ( -1.092 1.472 1.024) 2.100 9.082 ( 5.827 6.800 -0.651) 8.978 9.082 ( 5.827 6.800 0.651) 8.978 9.188 ( -2.679 4.816 -2.648) 6.114 9.188 ( -2.679 4.816 2.648) 6.114 9.560 ( -0.580 -2.874 -3.035) 4.220 9.560 ( -0.580 -2.874 3.035) 4.220 9.904 ( 7.838 3.680 -4.072) 9.569 9.904 ( 7.838 3.680 4.072) 9.569 10.046 ( -5.300 10.605 -6.530) 13.535 10.046 ( -5.300 10.605 6.530) 13.535 10.373 ( -5.181 -11.282 -4.018) 13.048 10.373 ( -5.181 -11.282 4.018) 13.048 10.615 ( 3.587 2.309 -4.436) 6.154 10.615 ( 3.587 2.309 4.436) 6.154 10.814 ( -5.107 -4.784 -2.753) 7.520 10.814 ( -5.107 -4.784 2.753) 7.520 11.358 ( -0.444 -11.582 -4.251) 12.345 11.358 ( -0.444 -11.582 4.251) 12.345 11.388 ( -3.071 -9.609 -7.162) 12.371 11.388 ( -3.071 -9.609 7.162) 12.371 11.862 ( 0.982 16.265 -5.031) 17.054 11.862 ( 0.982 16.265 5.031) 17.054 12.058 ( 2.903 -1.792 -4.321) 5.505 12.058 ( 2.903 -1.792 4.321) 5.505 12.668 ( 8.800 5.781 -20.982) 23.476 12.668 ( 8.800 5.781 20.982) 23.476 12.843 ( -9.729 2.111 -14.060) 17.228 12.843 ( -9.729 2.111 14.060) 17.228 14.165 ( 14.684 4.570 -10.324) 18.523 14.165 ( 14.684 4.570 10.324) 18.523 14.431 ( -12.385 2.524 -10.298) 16.304 14.431 ( -12.385 2.524 10.298) 16.304 14.978 ( -0.210 -5.180 -0.573) 5.216 14.978 ( -0.210 -5.180 0.573) 5.216 15.047 ( -0.372 -10.037 -0.158) 10.045 15.047 ( -0.372 -10.037 0.158) 10.045 15.970 ( -0.934 7.847 -0.857) 7.949 15.970 ( -0.934 7.847 0.857) 7.949 16.086 ( 0.760 3.415 -0.319) 3.513 16.086 ( 0.760 3.415 0.319) 3.513 17.955 ( 1.809 0.135 -13.648) 13.768 17.955 ( 1.809 0.135 13.648) 13.768 18.898 ( -6.663 -18.106 -11.999) 22.720 18.898 ( -6.663 -18.106 11.999) 22.720 20.457 ( 0.165 13.909 -1.027) 13.948 20.457 ( 0.165 13.909 1.027) 13.948 20.729 ( -1.446 10.845 -0.624) 10.959 20.729 ( -1.446 10.845 0.624) 10.959 23.582 ( 3.149 -10.604 -3.169) 11.507 23.582 ( 3.149 -10.604 3.169) 11.507 24.140 ( 1.447 -23.442 -2.573) 23.627 24.140 ( 1.447 -23.442 2.573) 23.627======================= Grid point 170 (55/63) =======================q-point: ( 0.00 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.306 ( 0.000 16.786 -2.466) 16.966 2.306 ( 0.000 16.786 2.466) 16.966 2.490 ( 0.000 8.879 -2.067) 9.116 2.490 ( 0.000 8.879 2.067) 9.116 2.900 ( 0.000 17.479 -7.048) 18.847 2.900 ( 0.000 17.479 7.048) 18.847 3.221 ( 0.000 1.366 -0.489) 1.451 3.221 ( 0.000 1.366 0.489) 1.451 3.330 ( 0.000 1.709 -8.922) 9.084 3.330 ( 0.000 1.709 8.922) 9.084 3.445 ( 0.000 4.632 -3.316) 5.696 3.445 ( 0.000 4.632 3.316) 5.696 3.594 ( 0.000 4.524 -1.891) 4.903 3.594 ( 0.000 4.524 1.891) 4.903 4.054 ( 0.000 10.411 -9.770) 14.278 4.054 ( 0.000 10.411 9.770) 14.278 4.324 ( 0.000 6.815 -0.701) 6.851 4.324 ( 0.000 6.815 0.701) 6.851 4.543 ( 0.000 3.342 -17.247) 17.568 4.543 ( 0.000 3.342 17.247) 17.568 4.955 ( 0.000 17.543 -8.428) 19.463 4.955 ( 0.000 17.543 8.428) 19.463 5.060 ( 0.000 4.162 -3.875) 5.687 5.060 ( 0.000 4.162 3.875) 5.687 5.497 ( 0.000 8.101 -6.475) 10.371 5.497 ( 0.000 8.101 6.475) 10.371 5.680 ( 0.000 0.586 -5.294) 5.327 5.680 ( 0.000 0.586 5.294) 5.327 6.620 ( 0.000 6.623 -3.696) 7.585 6.620 ( 0.000 6.623 3.696) 7.585 6.963 ( 0.000 6.202 -0.522) 6.224 6.963 ( 0.000 6.202 0.522) 6.224 7.278 ( 0.000 10.206 -8.338) 13.179 7.278 ( 0.000 10.206 8.338) 13.179 7.405 ( 0.000 12.813 -0.805) 12.839 7.405 ( 0.000 12.813 0.805) 12.839 7.654 ( 0.000 18.280 -3.305) 18.577 7.654 ( 0.000 18.280 3.305) 18.577 8.140 ( 0.000 12.112 -6.855) 13.917 8.140 ( 0.000 12.112 6.855) 13.917 8.287 ( 0.000 15.745 -4.647) 16.417 8.287 ( 0.000 15.745 4.647) 16.417 8.794 ( 0.000 11.140 -1.228) 11.208 8.794 ( 0.000 11.140 1.228) 11.208 9.165 ( 0.000 13.044 -0.991) 13.082 9.165 ( 0.000 13.044 0.991) 13.082 9.312 ( 0.000 7.919 -2.497) 8.303 9.312 ( 0.000 7.919 2.497) 8.303 9.485 ( 0.000 -9.271 -3.366) 9.863 9.485 ( 0.000 -9.271 3.366) 9.863 9.630 ( 0.000 -8.371 -3.493) 9.071 9.630 ( 0.000 -8.371 3.493) 9.071 10.064 ( 0.000 -14.525 -0.516) 14.535 10.064 ( 0.000 -14.525 0.516) 14.535 10.376 ( 0.000 0.343 -2.546) 2.569 10.376 ( 0.000 0.343 2.546) 2.569 10.537 ( 0.000 -3.908 -3.019) 4.938 10.537 ( 0.000 -3.908 3.019) 4.938 10.827 ( 0.000 -2.285 -11.064) 11.298 10.827 ( 0.000 -2.285 11.064) 11.298 11.299 ( 0.000 5.898 -2.317) 6.337 11.299 ( 0.000 5.898 2.317) 6.337 11.525 ( 0.000 -12.922 -16.220) 20.738 11.525 ( 0.000 -12.922 16.220) 20.738 11.850 ( 0.000 3.502 -1.627) 3.861 11.850 ( 0.000 3.502 1.627) 3.861 12.104 ( 0.000 12.167 -0.170) 12.168 12.104 ( 0.000 12.167 0.170) 12.168 12.725 ( 0.000 12.130 -32.716) 34.893 12.725 ( 0.000 12.130 32.716) 34.893 13.071 ( 0.000 -1.534 -2.379) 2.831 13.071 ( 0.000 -1.534 2.379) 2.831 13.958 ( 0.000 7.134 -0.754) 7.174 13.958 ( 0.000 7.134 0.754) 7.174 14.612 ( 0.000 -2.376 -5.671) 6.149 14.612 ( 0.000 -2.376 5.671) 6.149 14.781 ( 0.000 -11.582 -8.169) 14.173 14.781 ( 0.000 -11.582 8.169) 14.173 14.859 ( 0.000 -10.042 -2.884) 10.448 14.859 ( 0.000 -10.042 2.884) 10.448 16.195 ( 0.000 10.459 -4.662) 11.451 16.195 ( 0.000 10.459 4.662) 11.451 16.254 ( 0.000 12.111 -8.891) 15.025 16.254 ( 0.000 12.111 8.891) 15.025 17.889 ( 0.000 -0.575 -29.156) 29.161 17.889 ( 0.000 -0.575 29.156) 29.161 18.721 ( 0.000 -21.986 -24.914) 33.228 18.721 ( 0.000 -21.986 24.914) 33.228 20.605 ( 0.000 5.346 -2.404) 5.862 20.605 ( 0.000 5.346 2.404) 5.862 20.975 ( 0.000 6.087 -1.587) 6.290 20.975 ( 0.000 6.087 1.587) 6.290 23.337 ( 0.000 -3.308 -1.780) 3.756 23.337 ( 0.000 -3.308 1.780) 3.756 23.666 ( 0.000 -18.517 -3.397) 18.826 23.666 ( 0.000 -18.517 3.397) 18.826======================= Grid point 172 (56/63) =======================q-point: ( 0.20 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.340 ( 3.517 14.785 -3.232) 15.537 2.340 ( 3.517 14.785 3.232) 15.537 2.496 ( 0.690 11.428 -2.066) 11.633 2.496 ( 0.690 11.428 2.066) 11.633 2.820 ( -7.349 13.601 -6.015) 16.588 2.820 ( -7.349 13.601 6.015) 16.588 3.117 ( -8.756 6.045 -5.192) 11.839 3.117 ( -8.756 6.045 5.192) 11.839 3.366 ( 2.105 2.615 -5.347) 6.314 3.366 ( 2.105 2.615 5.347) 6.314 3.421 ( -1.247 7.768 -3.877) 8.771 3.421 ( -1.247 7.768 3.877) 8.771 3.666 ( 6.729 2.275 -4.001) 8.153 3.666 ( 6.729 2.275 4.001) 8.153 4.144 ( 5.142 7.180 -5.304) 10.302 4.144 ( 5.142 7.180 5.304) 10.302 4.277 ( -1.754 5.906 -2.401) 6.612 4.277 ( -1.754 5.906 2.401) 6.612 4.559 ( 1.153 4.080 -17.164) 17.680 4.559 ( 1.153 4.080 17.164) 17.680 4.970 ( 1.619 15.952 -6.462) 17.287 4.970 ( 1.619 15.952 6.462) 17.287 5.090 ( 2.000 7.157 -5.347) 9.155 5.090 ( 2.000 7.157 5.347) 9.155 5.472 ( -1.903 6.095 -4.970) 8.091 5.472 ( -1.903 6.095 4.970) 8.091 5.649 ( -3.007 0.490 -4.846) 5.724 5.649 ( -3.007 0.490 4.846) 5.724 6.673 ( 5.307 6.794 -3.447) 9.285 6.673 ( 5.307 6.794 3.447) 9.285 6.968 ( -0.155 6.465 -0.253) 6.472 6.968 ( -0.155 6.465 0.253) 6.472 7.282 ( 0.140 9.282 -5.397) 10.738 7.282 ( 0.140 9.282 5.397) 10.738 7.432 ( 3.573 13.047 -4.718) 14.326 7.432 ( 3.573 13.047 4.718) 14.326 7.654 ( 0.141 17.335 -4.328) 17.867 7.654 ( 0.141 17.335 4.328) 17.867 8.077 ( -6.266 10.592 -7.999) 14.677 8.077 ( -6.266 10.592 7.999) 14.677 8.307 ( 1.614 20.406 -4.619) 20.984 8.307 ( 1.614 20.406 4.619) 20.984 8.772 ( -1.996 11.753 -0.622) 11.937 8.772 ( -1.996 11.753 0.622) 11.937 9.193 ( 2.813 11.458 -2.330) 12.027 9.193 ( 2.813 11.458 2.330) 12.027 9.274 ( -2.611 3.514 -2.401) 4.993 9.274 ( -2.611 3.514 2.401) 4.993 9.521 ( 0.250 -7.411 -6.419) 9.807 9.521 ( 0.250 -7.411 6.419) 9.807 9.663 ( 5.493 -8.400 -3.349) 10.580 9.663 ( 5.493 -8.400 3.349) 10.580 10.065 ( -0.186 -13.450 -1.312) 13.515 10.065 ( -0.186 -13.450 1.312) 13.515 10.375 ( -0.667 3.160 -2.606) 4.150 10.375 ( -0.667 3.160 2.606) 4.150 10.523 ( -0.622 -4.487 -3.067) 5.471 10.523 ( -0.622 -4.487 3.067) 5.471 10.782 ( -4.760 -1.610 -9.056) 10.356 10.782 ( -4.760 -1.610 9.056) 10.356 11.265 ( -2.468 2.242 -2.994) 4.481 11.265 ( -2.468 2.242 2.994) 4.481 11.452 ( -6.109 -6.162 -12.445) 15.172 11.452 ( -6.109 -6.162 12.445) 15.172 11.935 ( 6.780 0.975 -2.681) 7.355 11.935 ( 6.780 0.975 2.681) 7.355 12.106 ( 0.063 10.080 -1.751) 10.231 12.106 ( 0.063 10.080 1.751) 10.231 12.746 ( 2.281 10.675 -30.341) 32.245 12.746 ( 2.281 10.675 30.341) 32.245 13.020 ( -4.790 0.442 -8.965) 10.174 13.020 ( -4.789 0.442 8.965) 10.174 14.046 ( 8.626 5.766 -5.347) 11.673 14.046 ( 8.626 5.766 5.347) 11.673 14.596 ( -2.318 -0.625 -6.756) 7.170 14.596 ( -2.318 -0.625 6.756) 7.170 14.779 ( -0.197 -12.499 -7.491) 14.573 14.779 ( -0.197 -12.499 7.491) 14.573 14.830 ( -2.442 -9.862 -3.166) 10.642 14.830 ( -2.442 -9.862 3.166) 10.642 16.201 ( 0.505 10.652 -4.923) 11.745 16.201 ( 0.505 10.652 4.923) 11.745 16.245 ( -0.821 11.826 -8.075) 14.344 16.245 ( -0.821 11.826 8.075) 14.344 17.904 ( 1.529 -0.873 -25.814) 25.874 17.904 ( 1.529 -0.873 25.814) 25.874 18.654 ( -6.232 -19.841 -23.119) 31.097 18.654 ( -6.232 -19.841 23.119) 31.097 20.626 ( 2.061 5.954 -2.145) 6.655 20.626 ( 2.061 5.954 2.145) 6.655 20.950 ( -2.425 5.948 -1.679) 6.640 20.950 ( -2.425 5.948 1.679) 6.640 23.359 ( 1.994 -5.280 -2.712) 6.262 23.359 ( 1.994 -5.280 2.712) 6.262 23.685 ( 1.825 -18.245 -3.294) 18.630 23.685 ( 1.825 -18.245 3.294) 18.630======================= Grid point 174 (57/63) =======================q-point: ( 0.40 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.421 ( 4.067 10.490 -3.142) 11.682 2.421 ( 4.067 10.490 3.142) 11.682 2.515 ( 0.929 16.455 -1.014) 16.513 2.515 ( 0.929 16.455 1.014) 16.513 2.682 ( -5.590 9.718 -2.783) 11.551 2.682 ( -5.590 9.718 2.783) 11.551 2.967 ( -5.475 10.708 -2.885) 12.367 2.967 ( -5.475 10.708 2.885) 12.367 3.391 ( 0.613 4.951 -3.075) 5.861 3.391 ( 0.613 4.951 3.075) 5.861 3.409 ( -0.233 8.978 -2.703) 9.379 3.409 ( -0.233 8.978 2.703) 9.379 3.815 ( 7.889 -0.395 -2.498) 8.285 3.815 ( 7.889 -0.395 2.498) 8.285 4.068 ( -7.555 3.813 -1.205) 8.548 4.068 ( -7.555 3.813 1.205) 8.548 4.390 ( 7.411 7.075 -1.676) 10.382 4.390 ( 7.411 7.075 1.676) 10.382 4.561 ( -1.214 4.133 -11.713) 12.480 4.561 ( -1.214 4.133 11.713) 12.480 5.016 ( 3.231 13.019 -3.749) 13.928 5.016 ( 3.231 13.019 3.749) 13.928 5.085 ( -2.800 11.698 -5.751) 13.332 5.085 ( -2.800 11.698 5.751) 13.332 5.466 ( 1.395 3.384 -2.666) 4.529 5.466 ( 1.395 3.384 2.666) 4.529 5.583 ( -3.251 -0.074 -2.751) 4.260 5.583 ( -3.251 -0.074 2.751) 4.260 6.794 ( 6.773 7.613 -3.176) 10.673 6.794 ( 6.773 7.613 3.176) 10.673 6.925 ( -4.557 6.261 -2.598) 8.168 6.925 ( -4.557 6.261 2.598) 8.168 7.299 ( 1.564 9.328 -2.475) 9.776 7.299 ( 1.564 9.328 2.475) 9.776 7.493 ( 1.042 12.602 -2.999) 12.996 7.493 ( 1.042 12.602 2.999) 12.996 7.694 ( 4.848 12.981 -6.304) 15.223 7.694 ( 4.848 12.981 6.304) 15.223 7.931 ( -7.896 12.393 -7.294) 16.406 7.931 ( -7.896 12.393 7.294) 16.406 8.333 ( 0.877 26.043 -2.097) 26.142 8.333 ( 0.877 26.043 2.097) 26.142 8.737 ( -1.253 12.080 -0.173) 12.146 8.737 ( -1.253 12.080 0.173) 12.146 9.226 ( -0.571 4.500 -2.936) 5.403 9.226 ( -0.571 4.500 2.936) 5.403 9.269 ( 2.590 4.266 -4.060) 6.434 9.269 ( 2.590 4.266 4.060) 6.434 9.481 ( -2.698 -4.000 -5.047) 6.983 9.481 ( -2.698 -4.000 5.047) 6.983 9.805 ( 6.795 -17.783 -2.807) 19.242 9.805 ( 6.795 -17.783 2.807) 19.242 10.046 ( -1.823 -6.504 -3.052) 7.412 10.046 ( -1.823 -6.504 3.052) 7.412 10.339 ( -2.197 8.920 -1.241) 9.270 10.339 ( -2.197 8.920 1.241) 9.270 10.552 ( 3.933 -3.875 -0.311) 5.530 10.552 ( 3.933 -3.875 0.311) 5.530 10.666 ( -6.707 -3.614 -3.994) 8.602 10.666 ( -6.707 -3.614 3.994) 8.602 11.253 ( 1.602 -1.454 -6.009) 6.387 11.253 ( 1.602 -1.454 6.009) 6.387 11.338 ( -5.352 -0.146 -9.306) 10.736 11.338 ( -5.352 -0.146 9.306) 10.736 12.045 ( 4.369 1.749 -4.057) 6.213 12.045 ( 4.369 1.749 4.057) 6.213 12.099 ( -1.151 5.391 -3.220) 6.384 12.099 ( -1.151 5.391 3.220) 6.384 12.806 ( 3.845 7.271 -22.362) 23.826 12.806 ( 3.845 7.271 22.362) 23.826 12.919 ( -5.212 4.518 -14.800) 16.328 12.919 ( -5.212 4.518 14.800) 16.328 14.236 ( 9.803 1.737 -6.691) 11.995 14.236 ( 9.803 1.737 6.691) 11.995 14.503 ( -6.908 4.421 -7.318) 10.992 14.503 ( -6.908 4.421 7.318) 10.992 14.773 ( -0.290 -14.878 -2.183) 15.040 14.773 ( -0.290 -14.878 2.183) 15.040 14.800 ( -0.557 -8.798 -0.885) 8.860 14.800 ( -0.557 -8.798 0.885) 8.860 16.208 ( 0.145 12.590 -3.247) 13.003 16.208 ( 0.145 12.590 3.247) 13.003 16.231 ( -0.382 9.797 -4.210) 10.670 16.231 ( -0.382 9.797 4.210) 10.670 17.935 ( 1.235 -1.464 -11.887) 12.041 17.935 ( 1.235 -1.464 11.887) 12.041 18.543 ( -4.010 -16.451 -11.260) 20.335 18.543 ( -4.010 -16.451 11.260) 20.335 20.668 ( 1.769 7.098 -1.167) 7.408 20.668 ( 1.769 7.098 1.167) 7.408 20.902 ( -2.002 5.500 -1.066) 5.949 20.902 ( -2.002 5.500 1.066) 5.949 23.392 ( 1.053 -8.100 -1.471) 8.300 23.392 ( 1.053 -8.100 1.471) 8.300 23.719 ( 1.215 -17.971 -1.490) 18.074 23.719 ( 1.215 -17.971 1.490) 18.074======================= Grid point 180 (58/63) =======================q-point: ( 0.00 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.518 ( 0.000 5.596 -0.081) 5.596 2.518 ( 0.000 5.596 0.081) 5.596 2.708 ( 0.000 11.093 -1.409) 11.182 2.708 ( 0.000 11.093 1.409) 11.182 3.167 ( 0.000 -3.041 -4.035) 5.053 3.167 ( 0.000 -3.041 4.035) 5.053 3.192 ( 0.000 7.089 -4.161) 8.220 3.192 ( 0.000 7.089 4.161) 8.220 3.355 ( 0.000 3.610 -3.175) 4.808 3.355 ( 0.000 3.610 3.175) 4.808 3.554 ( 0.000 4.907 -0.048) 4.907 3.554 ( 0.000 4.907 0.048) 4.907 3.678 ( 0.000 3.586 -0.936) 3.706 3.678 ( 0.000 3.586 0.936) 3.706 4.150 ( 0.000 -1.496 -10.922) 11.024 4.150 ( 0.000 -1.496 10.922) 11.024 4.426 ( 0.000 4.781 -1.282) 4.950 4.426 ( 0.000 4.781 1.282) 4.950 4.574 ( 0.000 0.901 -12.445) 12.478 4.574 ( 0.000 0.901 12.445) 12.478 5.132 ( 0.000 3.439 -1.391) 3.709 5.132 ( 0.000 3.439 1.391) 3.709 5.286 ( 0.000 12.622 -9.116) 15.570 5.286 ( 0.000 12.622 9.116) 15.570 5.626 ( 0.000 5.726 -7.940) 9.789 5.626 ( 0.000 5.726 7.940) 9.789 5.777 ( 0.000 6.828 -2.484) 7.266 5.777 ( 0.000 6.828 2.484) 7.266 6.818 ( 0.000 12.768 -4.167) 13.431 6.818 ( 0.000 12.768 4.167) 13.431 7.086 ( 0.000 6.339 -0.673) 6.374 7.086 ( 0.000 6.339 0.673) 6.374 7.424 ( 0.000 3.328 -9.119) 9.707 7.424 ( 0.000 3.328 9.119) 9.707 7.615 ( 0.000 7.911 -1.364) 8.028 7.615 ( 0.000 7.911 1.364) 8.028 7.882 ( 0.000 8.020 -12.929) 15.214 7.882 ( 0.000 8.019 12.929) 15.214 8.281 ( 0.000 2.099 -9.690) 9.914 8.281 ( 0.000 2.099 9.690) 9.914 8.627 ( 0.000 15.635 -4.248) 16.202 8.627 ( 0.000 15.635 4.248) 16.202 9.027 ( 0.000 7.934 -1.757) 8.126 9.027 ( 0.000 7.934 1.757) 8.126 9.195 ( 0.000 -10.976 -10.403) 15.122 9.195 ( 0.000 -10.976 10.403) 15.122 9.306 ( 0.000 -5.750 -1.338) 5.904 9.306 ( 0.000 -5.750 1.338) 5.904 9.396 ( 0.000 -7.671 -0.468) 7.685 9.396 ( 0.000 -7.671 0.468) 7.685 9.528 ( 0.000 8.628 -2.383) 8.952 9.528 ( 0.000 8.629 2.383) 8.952 9.982 ( 0.000 6.922 -4.930) 8.498 9.982 ( 0.000 6.922 4.930) 8.498 10.400 ( 0.000 -4.232 -1.318) 4.432 10.400 ( 0.000 -4.232 1.318) 4.432 10.475 ( 0.000 2.155 -8.067) 8.350 10.475 ( 0.000 2.155 8.067) 8.350 10.788 ( 0.000 -1.485 -11.809) 11.902 10.788 ( 0.000 -1.485 11.809) 11.902 11.238 ( 0.000 -12.543 -10.550) 16.390 11.238 ( 0.000 -12.543 10.550) 16.390 11.520 ( 0.000 11.127 -2.838) 11.484 11.520 ( 0.000 11.127 2.838) 11.484 11.934 ( 0.000 5.250 -0.455) 5.270 11.934 ( 0.000 5.250 0.455) 5.270 12.243 ( 0.000 2.507 -4.427) 5.087 12.243 ( 0.000 2.507 4.427) 5.087 12.910 ( 0.000 5.463 -20.114) 20.843 12.910 ( 0.000 5.463 20.114) 20.843 13.040 ( 0.000 -1.371 -0.158) 1.380 13.040 ( 0.000 -1.371 0.158) 1.380 14.056 ( 0.000 1.345 -8.737) 8.840 14.056 ( 0.000 1.345 8.737) 8.840 14.470 ( 0.000 -10.475 -1.722) 10.616 14.470 ( 0.000 -10.475 1.722) 10.616 14.609 ( 0.000 -2.130 -12.827) 13.002 14.609 ( 0.000 -2.130 12.827) 13.002 14.816 ( 0.000 3.013 -0.537) 3.060 14.816 ( 0.000 3.013 0.537) 3.060 16.398 ( 0.000 9.009 -2.005) 9.230 16.398 ( 0.000 9.009 2.005) 9.230 16.464 ( 0.000 7.973 -9.389) 12.317 16.464 ( 0.000 7.973 9.389) 12.317 17.888 ( 0.000 0.740 -19.385) 19.399 17.888 ( 0.000 0.740 19.385) 19.399 18.341 ( 0.000 -15.135 -20.054) 25.124 18.341 ( 0.000 -15.135 20.054) 25.124 20.687 ( 0.000 2.987 -1.499) 3.342 20.687 ( 0.000 2.987 1.499) 3.342 21.023 ( 0.000 -0.789 -2.180) 2.318 21.023 ( 0.000 -0.789 2.180) 2.318 23.272 ( 0.000 -3.510 -0.333) 3.526 23.272 ( 0.000 -3.510 0.333) 3.526 23.362 ( 0.000 -10.756 -1.141) 10.816 23.362 ( 0.000 -10.756 1.141) 10.816======================= Grid point 182 (59/63) =======================q-point: ( 0.20 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.537 ( 2.203 6.263 -2.733) 7.180 2.537 ( 2.203 6.263 2.733) 7.180 2.747 ( 3.808 11.581 -2.094) 12.370 2.747 ( 3.808 11.581 2.094) 12.370 2.992 ( -10.126 3.004 -4.258) 11.388 2.992 ( -10.126 3.004 4.258) 11.388 3.260 ( -4.272 8.855 -1.516) 9.948 3.260 ( -4.272 8.855 1.516) 9.948 3.364 ( 5.036 -2.043 -3.888) 6.682 3.364 ( 5.036 -2.043 3.888) 6.682 3.556 ( -0.303 4.741 -2.350) 5.300 3.556 ( -0.303 4.741 2.350) 5.300 3.711 ( 3.671 2.503 -1.417) 4.664 3.711 ( 3.671 2.503 1.417) 4.664 4.159 ( -1.328 -4.505 -6.329) 7.882 4.159 ( -1.328 -4.505 6.329) 7.882 4.404 ( 0.533 6.175 -4.021) 7.388 4.404 ( 0.533 6.175 4.021) 7.388 4.590 ( 1.013 0.514 -12.460) 12.511 4.590 ( 1.013 0.514 12.460) 12.511 5.191 ( 5.021 4.130 -2.319) 6.903 5.191 ( 5.021 4.130 2.319) 6.903 5.275 ( -0.846 11.513 -7.010) 13.506 5.275 ( -0.846 11.513 7.010) 13.506 5.601 ( -2.245 6.798 -5.584) 9.079 5.601 ( -2.245 6.798 5.584) 9.079 5.734 ( -4.046 6.134 -1.961) 7.605 5.734 ( -4.046 6.134 1.961) 7.605 6.867 ( 4.768 11.957 -3.878) 13.444 6.867 ( 4.768 11.957 3.878) 13.444 7.107 ( 1.329 7.703 -0.760) 7.854 7.107 ( 1.329 7.703 0.760) 7.854 7.400 ( -1.525 2.384 -6.812) 7.377 7.400 ( -1.525 2.384 6.812) 7.377 7.636 ( 1.402 6.266 -3.938) 7.532 7.636 ( 1.402 6.266 3.938) 7.532 7.888 ( 1.019 9.140 -13.162) 16.056 7.888 ( 1.019 9.140 13.162) 16.056 8.234 ( -4.548 4.243 -11.049) 12.679 8.234 ( -4.548 4.243 11.049) 12.679 8.677 ( 4.645 14.769 -4.696) 16.179 8.677 ( 4.645 14.769 4.696) 16.179 9.003 ( -2.147 7.251 -3.154) 8.194 9.003 ( -2.147 7.251 3.154) 8.194 9.195 ( 0.016 -10.946 -8.813) 14.053 9.195 ( 0.016 -10.946 8.813) 14.053 9.282 ( -2.319 -5.588 -4.506) 7.544 9.282 ( -2.319 -5.588 4.506) 7.544 9.418 ( 1.885 -4.165 -2.297) 5.117 9.418 ( 1.885 -4.165 2.297) 5.117 9.533 ( 0.497 5.108 -3.547) 6.238 9.533 ( 0.497 5.108 3.547) 6.238 9.987 ( 0.551 5.429 -5.087) 7.460 9.987 ( 0.551 5.429 5.087) 7.460 10.398 ( -1.030 -6.595 -3.224) 7.413 10.398 ( -1.030 -6.595 3.224) 7.413 10.485 ( 1.971 4.624 -8.899) 10.220 10.485 ( 1.971 4.624 8.899) 10.220 10.775 ( -1.693 -0.343 -11.736) 11.862 10.775 ( -1.693 -0.343 11.736) 11.862 11.210 ( -1.927 -7.876 -8.750) 11.930 11.210 ( -1.927 -7.876 8.750) 11.930 11.482 ( -3.778 9.031 -3.802) 10.502 11.482 ( -3.778 9.031 3.802) 10.502 11.986 ( 4.790 3.984 -1.527) 6.415 11.986 ( 4.790 3.984 1.527) 6.415 12.221 ( -2.147 2.322 -4.420) 5.434 12.221 ( -2.147 2.322 4.420) 5.434 12.909 ( 0.051 4.788 -17.922) 18.551 12.909 ( 0.051 4.788 17.922) 18.551 13.023 ( -1.673 -0.266 -4.470) 4.780 13.023 ( -1.673 -0.266 4.470) 4.780 14.106 ( 4.801 -0.811 -8.184) 9.523 14.106 ( 4.801 -0.811 8.184) 9.523 14.457 ( -1.443 -11.785 -0.692) 11.894 14.457 ( -1.443 -11.785 0.692) 11.894 14.622 ( 1.424 -0.065 -12.351) 12.433 14.622 ( 1.424 -0.065 12.351) 12.433 14.793 ( -2.274 3.474 -1.639) 4.464 14.793 ( -2.274 3.474 1.639) 4.464 16.401 ( 0.240 8.707 -2.690) 9.116 16.401 ( 0.240 8.707 2.690) 9.116 16.456 ( -0.722 8.151 -8.226) 11.603 16.456 ( -0.722 8.151 8.226) 11.603 17.899 ( 1.100 0.648 -17.259) 17.306 17.899 ( 1.100 0.648 17.259) 17.306 18.310 ( -2.977 -13.831 -18.001) 22.895 18.310 ( -2.977 -13.831 18.001) 22.895 20.711 ( 2.393 2.879 -1.560) 4.056 20.711 ( 2.393 2.879 1.560) 4.056 20.998 ( -2.510 -0.716 -2.107) 3.354 20.998 ( -2.510 -0.716 2.107) 3.354 23.265 ( -0.439 -4.203 -0.380) 4.242 23.265 ( -0.439 -4.203 0.380) 4.242 23.388 ( 2.186 -10.754 -0.838) 11.006 23.388 ( 2.186 -10.754 0.838) 11.006======================= Grid point 184 (60/63) =======================q-point: ( 0.40 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.599 ( 3.683 7.408 -2.856) 8.752 2.599 ( 3.683 7.408 2.856) 8.752 2.804 ( -2.941 7.102 -1.918) 7.922 2.804 ( -2.941 7.102 1.918) 7.922 2.850 ( 0.101 11.088 -2.770) 11.429 2.850 ( 0.101 11.088 2.770) 11.429 3.147 ( -5.145 7.358 -1.773) 9.152 3.147 ( -5.145 7.358 1.773) 9.152 3.456 ( 3.457 1.187 -3.995) 5.414 3.456 ( 3.457 1.187 3.995) 5.414 3.537 ( -1.418 3.046 -3.319) 4.723 3.537 ( -1.418 3.046 3.319) 4.723 3.802 ( 4.848 0.137 -0.948) 4.941 3.802 ( 4.848 0.137 0.948) 4.941 4.071 ( -5.590 -3.636 -1.035) 6.748 4.071 ( -5.590 -3.636 1.035) 6.748 4.486 ( 6.126 3.029 -0.324) 6.841 4.486 ( 6.126 3.029 0.324) 6.841 4.584 ( -2.254 0.031 -8.771) 9.056 4.584 ( -2.254 0.031 8.771) 9.056 5.258 ( 1.315 9.070 -3.385) 9.770 5.258 ( 1.315 9.070 3.385) 9.770 5.270 ( 0.258 7.706 -5.271) 9.340 5.270 ( 0.258 7.706 5.271) 9.340 5.580 ( 1.073 7.078 -2.961) 7.747 5.580 ( 1.073 7.078 2.961) 7.747 5.649 ( -4.513 5.140 -3.066) 7.496 5.649 ( -4.513 5.140 3.066) 7.496 6.972 ( 5.456 9.139 -3.406) 11.175 6.972 ( 5.456 9.139 3.406) 11.175 7.093 ( -2.947 10.976 -3.120) 11.785 7.093 ( -2.947 10.976 3.120) 11.785 7.402 ( 1.291 1.792 -2.873) 3.623 7.402 ( 1.291 1.792 2.873) 3.623 7.639 ( -0.807 2.961 -2.422) 3.910 7.639 ( -0.807 2.961 2.422) 3.910 7.935 ( 3.428 10.880 -10.032) 15.191 7.935 ( 3.428 10.880 10.032) 15.191 8.135 ( -4.934 6.686 -9.017) 12.262 8.135 ( -4.934 6.686 9.017) 12.262 8.765 ( 3.637 15.331 -2.589) 15.968 8.765 ( 3.637 15.331 2.589) 15.968 8.959 ( -2.046 5.996 -2.316) 6.745 8.959 ( -2.046 5.996 2.316) 6.745 9.201 ( 0.766 -7.670 -5.446) 9.438 9.201 ( 0.766 -7.670 5.446) 9.438 9.236 ( -2.074 -9.002 -5.074) 10.539 9.236 ( -2.074 -9.002 5.074) 10.539 9.446 ( 0.837 1.092 -1.274) 1.875 9.446 ( 0.837 1.092 1.274) 1.875 9.543 ( 0.433 -0.123 -1.889) 1.942 9.543 ( 0.433 -0.123 1.889) 1.942 9.998 ( 0.441 2.665 -2.843) 3.922 9.998 ( 0.441 2.665 2.843) 3.922 10.364 ( -1.632 -6.144 -2.587) 6.863 10.364 ( -1.632 -6.144 2.587) 6.863 10.556 ( 4.542 3.496 -7.161) 9.172 10.556 ( 4.542 3.496 7.161) 9.172 10.714 ( -4.283 2.292 -8.197) 9.528 10.714 ( -4.283 2.292 8.197) 9.528 11.205 ( 1.169 -0.437 -4.257) 4.437 11.205 ( 1.169 -0.437 4.257) 4.437 11.401 ( -3.678 5.529 -3.225) 7.382 11.401 ( -3.678 5.529 3.225) 7.382 12.081 ( 4.719 2.208 -2.806) 5.918 12.081 ( 4.719 2.208 2.806) 5.918 12.168 ( -3.393 2.120 -3.786) 5.508 12.168 ( -3.393 2.120 3.786) 5.508 12.916 ( 0.562 3.226 -9.710) 10.248 12.916 ( 0.562 3.226 9.710) 10.248 12.989 ( -1.453 1.906 -5.000) 5.545 12.989 ( -1.453 1.906 5.000) 5.545 14.200 ( 3.904 -4.929 -4.642) 7.816 14.200 ( 3.904 -4.929 4.642) 7.816 14.420 ( -1.920 -13.109 -1.425) 13.326 14.420 ( -1.920 -13.109 1.425) 13.326 14.660 ( 2.265 4.539 -8.853) 10.203 14.660 ( 2.265 4.539 8.853) 10.203 14.741 ( -2.799 2.911 -4.364) 5.945 14.741 ( -2.799 2.911 4.364) 5.945 16.407 ( 0.289 8.055 -2.232) 8.363 16.407 ( 0.289 8.055 2.232) 8.363 16.442 ( -0.593 8.625 -4.151) 9.590 16.442 ( -0.593 8.625 4.151) 9.590 17.921 ( 0.884 0.468 -8.062) 8.124 17.921 ( 0.884 0.468 8.062) 8.124 18.255 ( -2.016 -11.752 -8.463) 14.622 18.255 ( -2.016 -11.752 8.463) 14.622 20.762 ( 2.273 2.881 -1.074) 3.824 20.762 ( 2.273 2.881 1.074) 3.824 20.945 ( -2.350 -0.759 -1.282) 2.783 20.945 ( -2.350 -0.759 1.282) 2.783 23.261 ( -0.090 -4.750 -0.165) 4.753 23.261 ( -0.090 -4.750 0.165) 4.753 23.423 ( 1.155 -11.295 -0.293) 11.358 23.423 ( 1.155 -11.295 0.293) 11.358======================= Grid point 190 (61/63) =======================q-point: ( 0.00 0.46 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.590 ( 0.000 1.843 -0.088) 1.845 2.590 ( 0.000 1.843 0.089) 1.845 2.871 ( 0.000 4.538 -1.133) 4.677 2.871 ( 0.000 4.538 1.133) 4.677 3.066 ( 0.000 -3.758 -0.727) 3.828 3.066 ( 0.000 -3.758 0.727) 3.828 3.254 ( 0.000 0.133 -0.415) 0.436 3.254 ( 0.000 0.133 0.415) 0.436 3.488 ( 0.000 5.404 -0.307) 5.413 3.488 ( 0.000 5.404 0.307) 5.413 3.633 ( 0.000 2.736 -0.187) 2.742 3.633 ( 0.000 2.736 0.187) 2.742 3.736 ( 0.000 2.332 -0.698) 2.434 3.736 ( 0.000 2.332 0.698) 2.434 4.048 ( 0.000 -5.848 -5.063) 7.736 4.048 ( 0.000 -5.848 5.063) 7.736 4.507 ( 0.000 2.377 -1.883) 3.032 4.507 ( 0.000 2.377 1.883) 3.032 4.593 ( 0.000 0.749 -5.470) 5.521 4.593 ( 0.000 0.749 5.470) 5.521 5.192 ( 0.000 1.917 -0.588) 2.005 5.192 ( 0.000 1.917 0.588) 2.005 5.432 ( 0.000 2.775 -2.638) 3.829 5.432 ( 0.000 2.775 2.638) 3.829 5.746 ( 0.000 4.474 -1.790) 4.819 5.746 ( 0.000 4.474 1.790) 4.819 5.874 ( 0.000 2.251 -1.199) 2.550 5.874 ( 0.000 2.251 1.199) 2.550 7.071 ( 0.000 9.304 -1.922) 9.500 7.071 ( 0.000 9.304 1.922) 9.500 7.202 ( 0.000 4.165 -1.037) 4.292 7.202 ( 0.000 4.165 1.037) 4.293 7.429 ( 0.000 -1.562 -4.349) 4.621 7.429 ( 0.000 -1.562 4.349) 4.621 7.689 ( 0.000 0.190 -1.561) 1.573 7.689 ( 0.000 0.190 1.561) 1.573 8.048 ( 0.000 7.043 -10.587) 12.716 8.048 ( 0.000 7.043 10.587) 12.716 8.257 ( 0.000 -2.755 -4.510) 5.285 8.257 ( 0.000 -2.755 4.510) 5.285 8.861 ( 0.000 0.588 -7.311) 7.335 8.861 ( 0.000 0.588 7.311) 7.335 8.909 ( 0.000 -1.362 -1.699) 2.178 8.909 ( 0.000 -1.362 1.699) 2.178 9.097 ( 0.000 -6.333 -1.511) 6.511 9.097 ( 0.000 -6.333 1.511) 6.511 9.212 ( 0.000 2.461 -1.574) 2.921 9.212 ( 0.000 2.461 1.574) 2.921 9.425 ( 0.000 2.783 -1.782) 3.305 9.425 ( 0.000 2.783 1.782) 3.305 9.630 ( 0.000 2.008 -0.487) 2.066 9.630 ( 0.000 2.008 0.487) 2.066 10.142 ( 0.000 5.691 -1.887) 5.996 10.142 ( 0.000 5.691 1.888) 5.996 10.304 ( 0.000 -3.222 -0.351) 3.241 10.304 ( 0.000 -3.222 0.351) 3.241 10.488 ( 0.000 -1.197 -6.462) 6.572 10.488 ( 0.000 -1.197 6.462) 6.572 10.778 ( 0.000 -0.479 -6.447) 6.465 10.778 ( 0.000 -0.479 6.447) 6.465 11.071 ( 0.000 -3.174 -2.290) 3.914 11.071 ( 0.000 -3.174 2.290) 3.914 11.669 ( 0.000 3.198 -1.265) 3.439 11.669 ( 0.000 3.198 1.265) 3.439 12.049 ( 0.000 4.465 -1.197) 4.623 12.049 ( 0.000 4.465 1.197) 4.623 12.256 ( 0.000 -0.192 -1.976) 1.986 12.256 ( 0.000 -0.192 1.976) 1.986 12.969 ( 0.000 1.867 -7.706) 7.929 12.969 ( 0.000 1.867 7.706) 7.929 13.010 ( 0.000 -1.872 -1.962) 2.712 13.010 ( 0.000 -1.872 1.962) 2.712 14.031 ( 0.000 -1.851 -4.302) 4.683 14.031 ( 0.000 -1.851 4.302) 4.683 14.301 ( 0.000 -4.785 -0.366) 4.799 14.301 ( 0.000 -4.785 0.366) 4.799 14.648 ( 0.000 2.820 -5.590) 6.261 14.648 ( 0.000 2.820 5.590) 6.261 14.876 ( 0.000 1.902 -0.528) 1.974 14.876 ( 0.000 1.902 0.528) 1.974 16.535 ( 0.000 4.084 -3.132) 5.147 16.535 ( 0.000 4.084 3.132) 5.147 16.564 ( 0.000 1.966 -7.554) 7.806 16.564 ( 0.000 1.966 7.554) 7.806 17.910 ( 0.000 0.986 -6.561) 6.634 17.910 ( 0.000 0.986 6.561) 6.634 18.129 ( 0.000 -5.530 -8.005) 9.730 18.129 ( 0.000 -5.530 8.005) 9.730 20.731 ( 0.000 1.255 -0.659) 1.417 20.731 ( 0.000 1.255 0.659) 1.417 20.983 ( 0.000 -1.920 -1.149) 2.237 20.983 ( 0.000 -1.920 1.149) 2.237 23.177 ( 0.000 -3.592 -0.592) 3.640 23.177 ( 0.000 -3.592 0.592) 3.640 23.262 ( 0.000 -1.361 -0.398) 1.418 23.262 ( 0.000 -1.361 0.398) 1.418======================= Grid point 192 (62/63) =======================q-point: ( 0.20 0.46 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.625 ( 3.547 2.394 -1.211) 4.447 2.625 ( 3.547 2.394 1.211) 4.447 2.917 ( 4.072 5.141 -1.551) 6.739 2.917 ( 4.072 5.141 1.551) 6.739 2.990 ( -5.413 -1.811 -1.774) 5.977 2.990 ( -5.413 -1.811 1.774) 5.977 3.317 ( 4.065 -1.643 -1.560) 4.654 3.317 ( 4.065 -1.643 1.560) 4.654 3.434 ( -4.551 6.163 -0.508) 7.678 3.434 ( -4.551 6.163 0.508) 7.678 3.607 ( -2.550 0.704 -1.248) 2.925 3.607 ( -2.550 0.704 1.248) 2.925 3.767 ( 2.857 2.587 -0.617) 3.904 3.767 ( 2.857 2.587 0.617) 3.904 4.033 ( -2.175 -5.865 -3.427) 7.132 4.033 ( -2.175 -5.865 3.427) 7.132 4.493 ( -0.209 2.320 -1.706) 2.887 4.493 ( -0.209 2.320 1.706) 2.887 4.602 ( 0.502 0.535 -5.006) 5.060 4.602 ( 0.502 0.535 5.006) 5.060 5.255 ( 5.809 1.953 -0.784) 6.178 5.255 ( 5.809 1.953 0.784) 6.178 5.419 ( -1.032 3.132 -1.682) 3.702 5.419 ( -1.032 3.132 1.682) 3.702 5.726 ( -1.912 4.146 -1.610) 4.841 5.726 ( -1.912 4.146 1.610) 4.841 5.828 ( -4.432 2.430 -0.966) 5.146 5.828 ( -4.432 2.430 0.966) 5.146 7.092 ( 2.143 7.944 -1.618) 8.385 7.092 ( 2.143 7.944 1.618) 8.385 7.266 ( 5.637 6.738 -0.863) 8.827 7.266 ( 5.637 6.738 0.863) 8.827 7.390 ( -3.035 -2.525 -4.107) 5.697 7.390 ( -3.035 -2.525 4.107) 5.697 7.681 ( -1.197 -0.522 -1.600) 2.065 7.681 ( -1.197 -0.522 1.600) 2.065 8.061 ( 1.397 6.385 -10.195) 12.110 8.061 ( 1.397 6.385 10.195) 12.110 8.243 ( -1.784 -1.860 -5.801) 6.348 8.243 ( -1.784 -1.860 5.801) 6.348 8.876 ( 1.557 -2.680 -7.549) 8.161 8.876 ( 1.557 -2.680 7.549) 8.161 8.928 ( 2.094 2.814 -2.062) 4.069 8.928 ( 2.094 2.814 2.062) 4.069 9.087 ( -1.329 -5.980 -2.598) 6.654 9.087 ( -1.329 -5.980 2.598) 6.654 9.178 ( -2.744 0.514 -1.358) 3.104 9.178 ( -2.744 0.514 1.358) 3.104 9.463 ( 3.319 3.658 -1.809) 5.260 9.463 ( 3.319 3.658 1.809) 5.260 9.620 ( -1.054 1.933 -0.813) 2.347 9.620 ( -1.054 1.934 0.813) 2.347 10.129 ( -1.218 5.989 -2.695) 6.679 10.129 ( -1.218 5.989 2.695) 6.679 10.282 ( -2.117 -4.222 -2.497) 5.343 10.282 ( -2.117 -4.222 2.497) 5.343 10.506 ( 2.072 -1.197 -6.422) 6.854 10.506 ( 2.072 -1.197 6.423) 6.854 10.751 ( -2.987 -2.037 -6.533) 7.467 10.751 ( -2.987 -2.037 6.533) 7.467 11.129 ( 6.182 -0.086 -2.281) 6.590 11.129 ( 6.182 -0.086 2.281) 6.590 11.621 ( -5.035 3.446 -1.537) 6.292 11.621 ( -5.035 3.446 1.537) 6.292 12.075 ( 2.528 3.448 -1.339) 4.480 12.075 ( 2.528 3.448 1.339) 4.480 12.239 ( -1.736 0.122 -2.014) 2.662 12.239 ( -1.736 0.122 2.014) 2.662 12.964 ( -0.432 1.909 -6.154) 6.458 12.964 ( -0.432 1.909 6.154) 6.458 13.004 ( -0.624 -1.735 -1.980) 2.706 13.004 ( -0.624 -1.735 1.980) 2.706 14.053 ( 2.274 -2.408 -3.685) 4.955 14.053 ( 2.274 -2.408 3.685) 4.955 14.271 ( -2.948 -5.241 -0.395) 6.026 14.271 ( -2.948 -5.241 0.395) 6.026 14.681 ( 3.187 3.043 -4.689) 6.434 14.681 ( 3.187 3.043 4.689) 6.434 14.861 ( -1.574 2.124 -0.477) 2.686 14.861 ( -1.574 2.124 0.477) 2.686 16.533 ( -0.230 3.991 -2.463) 4.696 16.533 ( -0.230 3.991 2.463) 4.695 16.558 ( -0.501 1.949 -6.166) 6.486 16.558 ( -0.501 1.949 6.166) 6.486 17.925 ( 1.458 1.389 -6.368) 6.679 17.925 ( 1.458 1.389 6.368) 6.679 18.111 ( -1.783 -5.490 -7.543) 9.498 18.111 ( -1.783 -5.490 7.543) 9.498 20.752 ( 2.243 1.215 -0.729) 2.653 20.752 ( 2.243 1.215 0.729) 2.653 20.959 ( -2.419 -1.893 -1.120) 3.269 20.959 ( -2.419 -1.893 1.120) 3.269 23.187 ( 0.969 -2.768 -0.693) 3.014 23.187 ( 0.969 -2.768 0.693) 3.014 23.262 ( 0.002 -2.376 -0.556) 2.441 23.262 ( 0.002 -2.376 0.556) 2.441======================= Grid point 194 (63/63) =======================q-point: ( 0.40 0.46 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.712 ( 5.319 3.407 -1.416) 6.473 2.712 ( 5.319 3.407 1.416) 6.473 2.851 ( -6.337 0.203 -1.495) 6.514 2.851 ( -6.337 0.203 1.495) 6.514 3.061 ( 7.968 6.714 -2.013) 10.612 3.061 ( 7.968 6.714 2.013) 10.612 3.260 ( -7.866 3.210 -1.671) 8.659 3.260 ( -7.866 3.210 1.671) 8.659 3.452 ( 4.821 -0.426 -1.872) 5.189 3.452 ( 4.821 -0.426 1.872) 5.189 3.544 ( -4.069 -1.243 -1.916) 4.667 3.544 ( -4.069 -1.243 1.916) 4.667 3.832 ( 3.623 2.170 -0.199) 4.228 3.832 ( 3.623 2.170 0.199) 4.228 3.963 ( -4.314 -5.174 -1.076) 6.822 3.963 ( -4.314 -5.174 1.076) 6.822 4.527 ( 3.479 1.084 -0.186) 3.649 4.527 ( 3.479 1.084 0.186) 3.649 4.589 ( -2.255 0.332 -3.141) 3.881 4.589 ( -2.255 0.332 3.141) 3.881 5.362 ( 4.406 2.747 -1.146) 5.317 5.362 ( 4.406 2.747 1.146) 5.317 5.404 ( -0.671 3.598 -0.611) 3.710 5.404 ( -0.671 3.598 0.611) 3.710 5.695 ( -0.401 3.370 -1.358) 3.655 5.695 ( -0.401 3.370 1.358) 3.655 5.736 ( -4.423 2.602 -1.457) 5.335 5.736 ( -4.423 2.602 1.457) 5.335 7.142 ( 2.669 7.148 -1.140) 7.715 7.142 ( 2.669 7.148 1.140) 7.715 7.276 ( -3.209 2.082 -1.982) 4.308 7.276 ( -3.209 2.082 1.982) 4.308 7.437 ( 5.898 4.909 -2.120) 7.962 7.437 ( 5.898 4.909 2.120) 7.962 7.637 ( -3.047 -2.722 -0.782) 4.159 7.637 ( -3.047 -2.722 0.782) 4.159 8.101 ( 2.659 4.669 -8.239) 9.836 8.101 ( 2.659 4.669 8.239) 9.836 8.188 ( -3.495 -0.475 -6.733) 7.601 8.188 ( -3.495 -0.475 6.733) 7.601 8.918 ( 2.760 -2.654 -7.316) 8.257 8.918 ( 2.760 -2.654 7.316) 8.257 8.963 ( 0.114 2.193 -5.485) 5.908 8.963 ( 0.114 2.193 5.485) 5.908 9.059 ( -0.449 -1.769 -1.465) 2.340 9.059 ( -0.449 -1.769 1.465) 2.340 9.132 ( -1.959 -3.002 -2.501) 4.371 9.132 ( -1.959 -3.002 2.501) 4.371 9.525 ( 2.833 4.323 -1.192) 5.305 9.525 ( 2.833 4.323 1.192) 5.305 9.593 ( -1.706 1.499 -0.840) 2.421 9.593 ( -1.706 1.499 0.840) 2.421 10.108 ( -0.787 6.611 -1.792) 6.895 10.108 ( -0.787 6.611 1.792) 6.895 10.243 ( -1.478 -5.649 -1.834) 6.120 10.243 ( -1.478 -5.649 1.834) 6.120 10.565 ( 3.899 -0.945 -5.789) 7.044 10.565 ( 3.899 -0.945 5.789) 7.044 10.674 ( -4.501 -3.682 -5.825) 8.231 10.674 ( -4.501 -3.682 5.825) 8.231 11.281 ( 8.887 4.833 -2.145) 10.341 11.281 ( 8.887 4.833 2.145) 10.341 11.491 ( -8.054 2.218 -1.899) 8.567 11.491 ( -8.054 2.218 1.899) 8.567 12.132 ( 3.201 2.066 -1.569) 4.120 12.132 ( 3.201 2.066 1.569) 4.120 12.195 ( -2.778 0.628 -1.846) 3.394 12.195 ( -2.778 0.628 1.846) 3.394 12.959 ( -0.116 1.717 -2.482) 3.020 12.959 ( -0.116 1.717 2.482) 3.020 12.992 ( -0.458 -1.265 -0.868) 1.601 12.992 ( -0.458 -1.265 0.868) 1.601 14.108 ( 3.128 -2.659 -2.177) 4.647 14.108 ( 3.128 -2.659 2.177) 4.647 14.206 ( -3.462 -6.488 -1.033) 7.426 14.206 ( -3.462 -6.488 1.033) 7.426 14.751 ( 3.917 3.115 -2.994) 5.832 14.751 ( 3.917 3.115 2.994) 5.832 14.818 ( -3.037 2.669 -1.391) 4.276 14.818 ( -3.037 2.669 1.391) 4.276 16.529 ( -0.132 3.776 -0.884) 3.880 16.529 ( -0.132 3.776 0.884) 3.880 16.550 ( -0.312 1.998 -2.418) 3.152 16.550 ( -0.312 1.998 2.418) 3.152 17.957 ( 1.465 2.824 -4.031) 5.135 17.957 ( 1.465 2.824 4.031) 5.135 18.073 ( -1.667 -6.223 -4.484) 7.849 18.073 ( -1.667 -6.223 4.484) 7.849 20.806 ( 2.985 1.683 -0.723) 3.503 20.806 ( 2.985 1.683 0.723) 3.503 20.903 ( -3.092 -2.380 -0.870) 3.998 20.903 ( -3.092 -2.380 0.870) 3.998 23.205 ( 0.689 -0.682 -0.450) 1.069 23.205 ( 0.689 -0.682 0.450) 1.069 23.261 ( -0.093 -4.770 -0.400) 4.787 23.261 ( -0.093 -4.770 0.400) 4.787=================== 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 3/24960 10.0 1467.890 629.369 429.469 0.000 0.000 -0.000 3/24960 20.0 379.567 444.678 249.069 0.000 0.000 -0.000 3/24960 30.0 153.667 220.352 114.563 0.000 0.000 0.000 3/24960 40.0 81.674 128.359 64.172 0.000 0.000 0.000 3/24960 50.0 51.522 85.633 41.627 0.000 0.000 0.000 3/24960 60.0 36.029 62.368 29.606 0.000 0.000 0.000 3/24960 70.0 26.948 48.115 22.388 0.000 0.000 0.000 3/24960 80.0 21.143 38.670 17.697 0.000 0.000 0.000 3/24960 90.0 17.198 32.057 14.473 0.000 0.000 0.000 3/24960 100.0 14.389 27.233 12.159 0.000 0.000 0.000 3/24960 110.0 12.313 23.594 10.440 0.000 0.000 0.000 3/24960 120.0 10.731 20.774 9.126 0.000 0.000 0.000 3/24960 130.0 9.495 18.537 8.098 0.000 0.000 0.000 3/24960 140.0 8.506 16.727 7.275 0.000 0.000 0.000 3/24960 150.0 7.701 15.237 6.605 0.000 0.000 0.000 3/24960 160.0 7.035 13.992 6.050 0.000 0.000 0.000 3/24960 170.0 6.476 12.938 5.584 0.000 0.000 0.000 3/24960 180.0 6.000 12.035 5.188 0.000 0.000 0.000 3/24960 190.0 5.590 11.253 4.847 0.000 0.000 0.000 3/24960 200.0 5.235 10.570 4.550 0.000 0.000 0.000 3/24960 210.0 4.924 9.969 4.290 0.000 0.000 0.000 3/24960 220.0 4.648 9.436 4.061 0.000 0.000 0.000 3/24960 230.0 4.404 8.959 3.856 0.000 0.000 0.000 3/24960 240.0 4.185 8.530 3.672 0.000 0.000 0.000 3/24960 250.0 3.987 8.143 3.506 0.000 0.000 0.000 3/24960 260.0 3.808 7.791 3.356 0.000 0.000 0.000 3/24960 270.0 3.646 7.470 3.218 0.000 0.000 0.000 3/24960 280.0 3.497 7.176 3.093 0.000 0.000 0.000 3/24960 290.0 3.361 6.905 2.977 0.000 0.000 0.000 3/24960 300.0 3.235 6.655 2.870 0.000 0.000 0.000 3/24960 310.0 3.119 6.424 2.771 0.000 0.000 0.000 3/24960 320.0 3.011 6.208 2.679 0.000 0.000 0.000 3/24960 330.0 2.911 6.008 2.593 0.000 0.000 0.000 3/24960 340.0 2.817 5.820 2.513 0.000 0.000 0.000 3/24960 350.0 2.730 5.645 2.438 0.000 0.000 0.000 3/24960 360.0 2.648 5.480 2.367 0.000 0.000 0.000 3/24960 370.0 2.571 5.325 2.301 0.000 0.000 0.000 3/24960 380.0 2.499 5.179 2.238 0.000 0.000 0.000 3/24960 390.0 2.430 5.040 2.179 0.000 0.000 0.000 3/24960 400.0 2.366 4.910 2.123 0.000 0.000 0.000 3/24960 410.0 2.305 4.786 2.069 0.000 0.000 0.000 3/24960 420.0 2.247 4.668 2.019 0.000 0.000 0.000 3/24960 430.0 2.192 4.557 1.971 0.000 0.000 0.000 3/24960 440.0 2.139 4.450 1.925 0.000 0.000 0.000 3/24960 450.0 2.090 4.349 1.882 0.000 0.000 0.000 3/24960 460.0 2.042 4.252 1.840 0.000 0.000 0.000 3/24960 470.0 1.997 4.160 1.800 0.000 0.000 0.000 3/24960 480.0 1.954 4.072 1.762 0.000 0.000 0.000 3/24960 490.0 1.912 3.987 1.726 0.000 0.000 0.000 3/24960 500.0 1.873 3.906 1.691 0.000 0.000 0.000 3/24960 510.0 1.835 3.828 1.657 0.000 0.000 0.000 3/24960 520.0 1.798 3.753 1.625 0.000 0.000 0.000 3/24960 530.0 1.763 3.682 1.594 0.000 0.000 0.000 3/24960 540.0 1.730 3.613 1.564 0.000 0.000 0.000 3/24960 550.0 1.697 3.546 1.536 0.000 0.000 0.000 3/24960 560.0 1.666 3.482 1.508 0.000 0.000 0.000 3/24960 570.0 1.636 3.420 1.481 0.000 0.000 0.000 3/24960 580.0 1.607 3.361 1.456 0.000 0.000 0.000 3/24960 590.0 1.580 3.303 1.431 0.000 0.000 0.000 3/24960 600.0 1.553 3.248 1.407 0.000 0.000 0.000 3/24960 610.0 1.527 3.194 1.384 0.000 0.000 0.000 3/24960 620.0 1.501 3.142 1.361 0.000 0.000 0.000 3/24960 630.0 1.477 3.092 1.340 0.000 0.000 0.000 3/24960 640.0 1.454 3.044 1.318 0.000 0.000 0.000 3/24960 650.0 1.431 2.997 1.298 0.000 0.000 0.000 3/24960 660.0 1.409 2.951 1.278 0.000 0.000 0.000 3/24960 670.0 1.387 2.907 1.259 0.000 0.000 0.000 3/24960 680.0 1.367 2.864 1.241 0.000 0.000 0.000 3/24960 690.0 1.347 2.822 1.223 0.000 0.000 0.000 3/24960 700.0 1.327 2.782 1.205 0.000 0.000 0.000 3/24960 710.0 1.308 2.742 1.188 0.000 0.000 0.000 3/24960 720.0 1.290 2.704 1.172 0.000 0.000 0.000 3/24960 730.0 1.272 2.667 1.156 0.000 0.000 0.000 3/24960 740.0 1.254 2.631 1.140 0.000 0.000 0.000 3/24960 750.0 1.237 2.596 1.125 0.000 0.000 0.000 3/24960 760.0 1.221 2.561 1.110 0.000 0.000 0.000 3/24960 770.0 1.205 2.528 1.095 0.000 0.000 0.000 3/24960 780.0 1.189 2.496 1.081 0.000 0.000 0.000 3/24960 790.0 1.174 2.464 1.068 0.000 0.000 0.000 3/24960 800.0 1.159 2.433 1.054 0.000 0.000 0.000 3/24960 810.0 1.145 2.403 1.041 0.000 0.000 0.000 3/24960 820.0 1.131 2.374 1.029 0.000 0.000 0.000 3/24960 830.0 1.117 2.345 1.016 0.000 0.000 0.000 3/24960 840.0 1.103 2.317 1.004 0.000 0.000 0.000 3/24960 850.0 1.090 2.290 0.992 0.000 0.000 0.000 3/24960 860.0 1.078 2.263 0.981 0.000 0.000 0.000 3/24960 870.0 1.065 2.237 0.969 0.000 0.000 0.000 3/24960 880.0 1.053 2.212 0.958 0.000 0.000 0.000 3/24960 890.0 1.041 2.187 0.948 0.000 0.000 0.000 3/24960 900.0 1.029 2.163 0.937 0.000 0.000 0.000 3/24960 910.0 1.018 2.139 0.927 0.000 0.000 0.000 3/24960 920.0 1.007 2.116 0.917 0.000 0.000 0.000 3/24960 930.0 0.996 2.093 0.907 0.000 0.000 0.000 3/24960 940.0 0.985 2.071 0.897 0.000 0.000 0.000 3/24960 950.0 0.975 2.049 0.888 0.000 0.000 0.000 3/24960 960.0 0.965 2.027 0.879 0.000 0.000 0.000 3/24960 970.0 0.955 2.006 0.870 0.000 0.000 0.000 3/24960 980.0 0.945 1.986 0.861 0.000 0.000 0.000 3/24960 990.0 0.935 1.966 0.852 0.000 0.000 0.000 3/24960 1000.0 0.926 1.946 0.843 0.000 0.000 0.000 3/24960Thermal conductivity related properties were written into "kappa-m5134.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 04:02:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|