----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:40:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.014498732365092 0.000000000000000 0.000000000000000 b -2.507249366182546 4.342683289473034 0.000000000000000 c 0.000000000000000 0.000000000000000 13.774966190000001 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.14542524427765 6.941 2 Li 0.00000000000000 0.00000000000000 0.35457475572235 6.941 3 Li 0.00000000000000 0.00000000000000 0.64542524427765 6.941 4 Li 0.00000000000000 0.00000000000000 0.85457475572235 6.941 *5 Ti 0.33333333333333 0.66666666666667 0.02485611243864 47.867 *6 Ti 0.33333333333333 0.66666666666667 0.31230509112660 47.867 7 Ti 0.33333333333333 0.66666666666667 0.52485611243864 47.867 8 Ti 0.33333333333333 0.66666666666667 0.81230509112660 47.867 9 Ti 0.66666666666667 0.33333333333333 0.18769490887340 47.867 10 Ti 0.66666666666667 0.33333333333333 0.68769490887340 47.867 11 Ti 0.66666666666667 0.33333333333333 0.47514388756136 47.867 12 Ti 0.66666666666667 0.33333333333333 0.97514388756136 47.867 *13 O 0.33859643694831 0.33859643694831 0.75000000000000 15.999 *14 O 0.35840822791647 0.38376179996327 0.41819142011360 15.999 15 O 0.02535357204681 0.38376179996327 0.91819142011360 15.999 16 O 0.66140356305169 0.66140356305169 0.25000000000000 15.999 17 O 0.61623820003673 0.64159177208353 0.91819142011360 15.999 18 O 0.61623820003673 0.97464642795319 0.41819142011360 15.999 19 O 0.66140356305169 0.00000000000000 0.75000000000000 15.999 20 O 0.64159177208353 0.02535357204681 0.08180857988640 15.999 21 O 0.02535357204681 0.64159177208353 0.41819142011360 15.999 22 O 0.00000000000000 0.33859643694831 0.25000000000000 15.999 23 O 0.97464642795319 0.35840822791647 0.58180857988640 15.999 24 O 0.35840822791647 0.97464642795319 0.91819142011360 15.999 25 O 0.33859643694831 0.00000000000000 0.25000000000000 15.999 26 O 0.38376179996327 0.02535357204681 0.58180857988640 15.999 27 O 0.38376179996327 0.35840822791647 0.08180857988640 15.999 28 O 0.97464642795319 0.61623820003673 0.08180857988640 15.999 29 O 0.00000000000000 0.66140356305169 0.75000000000000 15.999 30 O 0.64159177208353 0.61623820003673 0.58180857988640 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.014498732365092 0.000000000000000 0.000000000000000 b -2.507249366182546 4.342683289473034 0.000000000000000 c 0.000000000000000 0.000000000000000 13.774966190000001 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.14542524427765 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.35457475572235 6.941 > 2 3 Li 0.00000000000000 0.00000000000000 0.64542524427765 6.941 > 3 4 Li 0.00000000000000 0.00000000000000 0.85457475572235 6.941 > 4 *5 Ti 0.33333333333333 0.66666666666667 0.02485611243864 47.867 > 5 *6 Ti 0.33333333333333 0.66666666666667 0.31230509112660 47.867 > 6 7 Ti 0.33333333333333 0.66666666666667 0.52485611243864 47.867 > 7 8 Ti 0.33333333333333 0.66666666666667 0.81230509112660 47.867 > 8 9 Ti 0.66666666666667 0.33333333333333 0.18769490887340 47.867 > 9 10 Ti 0.66666666666667 0.33333333333333 0.68769490887340 47.867 > 10 11 Ti 0.66666666666667 0.33333333333333 0.47514388756136 47.867 > 11 12 Ti 0.66666666666667 0.33333333333333 0.97514388756136 47.867 > 12 *13 O 0.33859643694831 0.33859643694831 0.75000000000000 15.999 > 13 *14 O 0.35840822791647 0.38376179996327 0.41819142011360 15.999 > 14 15 O 0.02535357204681 0.38376179996327 0.91819142011360 15.999 > 15 16 O 0.66140356305169 0.66140356305169 0.25000000000000 15.999 > 16 17 O 0.61623820003673 0.64159177208353 0.91819142011360 15.999 > 17 18 O 0.61623820003673 0.97464642795319 0.41819142011360 15.999 > 18 19 O 0.66140356305169 0.00000000000000 0.75000000000000 15.999 > 19 20 O 0.64159177208353 0.02535357204681 0.08180857988640 15.999 > 20 21 O 0.02535357204681 0.64159177208353 0.41819142011360 15.999 > 21 22 O 0.00000000000000 0.33859643694831 0.25000000000000 15.999 > 22 23 O 0.97464642795319 0.35840822791647 0.58180857988640 15.999 > 23 24 O 0.35840822791647 0.97464642795319 0.91819142011360 15.999 > 24 25 O 0.33859643694831 0.00000000000000 0.25000000000000 15.999 > 25 26 O 0.38376179996327 0.02535357204681 0.58180857988640 15.999 > 26 27 O 0.38376179996327 0.35840822791647 0.08180857988640 15.999 > 27 28 O 0.97464642795319 0.61623820003673 0.08180857988640 15.999 > 28 29 O 0.00000000000000 0.66140356305169 0.75000000000000 15.999 > 29 30 O 0.64159177208353 0.61623820003673 0.58180857988640 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.028997464730184 0.000000000000000 0.000000000000000 b -5.014498732365092 8.685366578946068 0.000000000000000 c 0.000000000000000 0.000000000000000 13.774966190000001 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.14542524427765 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.14542524427765 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.14542524427765 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.14542524427765 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.35457475572235 6.941 > 2 6 Li 0.50000000000000 0.00000000000000 0.35457475572235 6.941 > 2 7 Li 0.00000000000000 0.50000000000000 0.35457475572235 6.941 > 2 8 Li 0.50000000000000 0.50000000000000 0.35457475572235 6.941 > 2 9 Li 0.00000000000000 0.00000000000000 0.64542524427765 6.941 > 3 10 Li 0.50000000000000 0.00000000000000 0.64542524427765 6.941 > 3 11 Li 0.00000000000000 0.50000000000000 0.64542524427765 6.941 > 3 12 Li 0.50000000000000 0.50000000000000 0.64542524427765 6.941 > 3 13 Li 0.00000000000000 0.00000000000000 0.85457475572235 6.941 > 4 14 Li 0.50000000000000 0.00000000000000 0.85457475572235 6.941 > 4 15 Li 0.00000000000000 0.50000000000000 0.85457475572235 6.941 > 4 16 Li 0.50000000000000 0.50000000000000 0.85457475572235 6.941 > 4 *17 Ti 0.16666666666667 0.33333333333333 0.02485611243864 47.867 > 5 18 Ti 0.66666666666667 0.33333333333333 0.02485611243864 47.867 > 5 19 Ti 0.16666666666667 0.83333333333333 0.02485611243864 47.867 > 5 20 Ti 0.66666666666667 0.83333333333333 0.02485611243864 47.867 > 5 *21 Ti 0.16666666666667 0.33333333333333 0.31230509112660 47.867 > 6 22 Ti 0.66666666666667 0.33333333333333 0.31230509112660 47.867 > 6 23 Ti 0.16666666666667 0.83333333333333 0.31230509112660 47.867 > 6 24 Ti 0.66666666666667 0.83333333333333 0.31230509112660 47.867 > 6 25 Ti 0.16666666666667 0.33333333333333 0.52485611243864 47.867 > 7 26 Ti 0.66666666666667 0.33333333333333 0.52485611243864 47.867 > 7 27 Ti 0.16666666666667 0.83333333333333 0.52485611243864 47.867 > 7 28 Ti 0.66666666666667 0.83333333333333 0.52485611243864 47.867 > 7 29 Ti 0.16666666666667 0.33333333333333 0.81230509112660 47.867 > 8 30 Ti 0.66666666666667 0.33333333333333 0.81230509112660 47.867 > 8 31 Ti 0.16666666666667 0.83333333333333 0.81230509112660 47.867 > 8 32 Ti 0.66666666666667 0.83333333333333 0.81230509112660 47.867 > 8 33 Ti 0.33333333333333 0.16666666666667 0.18769490887340 47.867 > 9 34 Ti 0.83333333333333 0.16666666666667 0.18769490887340 47.867 > 9 35 Ti 0.33333333333333 0.66666666666667 0.18769490887340 47.867 > 9 36 Ti 0.83333333333333 0.66666666666667 0.18769490887340 47.867 > 9 37 Ti 0.33333333333333 0.16666666666667 0.68769490887340 47.867 > 10 38 Ti 0.83333333333333 0.16666666666667 0.68769490887340 47.867 > 10 39 Ti 0.33333333333333 0.66666666666667 0.68769490887340 47.867 > 10 40 Ti 0.83333333333333 0.66666666666667 0.68769490887340 47.867 > 10 41 Ti 0.33333333333333 0.16666666666667 0.47514388756136 47.867 > 11 42 Ti 0.83333333333333 0.16666666666667 0.47514388756136 47.867 > 11 43 Ti 0.33333333333333 0.66666666666667 0.47514388756136 47.867 > 11 44 Ti 0.83333333333333 0.66666666666667 0.47514388756136 47.867 > 11 45 Ti 0.33333333333333 0.16666666666667 0.97514388756136 47.867 > 12 46 Ti 0.83333333333333 0.16666666666667 0.97514388756136 47.867 > 12 47 Ti 0.33333333333333 0.66666666666667 0.97514388756136 47.867 > 12 48 Ti 0.83333333333333 0.66666666666667 0.97514388756136 47.867 > 12 *49 O 0.16929821847415 0.16929821847415 0.75000000000000 15.999 > 13 50 O 0.66929821847415 0.16929821847415 0.75000000000000 15.999 > 13 51 O 0.16929821847415 0.66929821847415 0.75000000000000 15.999 > 13 52 O 0.66929821847415 0.66929821847415 0.75000000000000 15.999 > 13 *53 O 0.17920411395823 0.19188089998164 0.41819142011360 15.999 > 14 54 O 0.67920411395823 0.19188089998164 0.41819142011360 15.999 > 14 55 O 0.17920411395823 0.69188089998164 0.41819142011360 15.999 > 14 56 O 0.67920411395823 0.69188089998164 0.41819142011360 15.999 > 14 57 O 0.01267678602340 0.19188089998164 0.91819142011360 15.999 > 15 58 O 0.51267678602340 0.19188089998164 0.91819142011360 15.999 > 15 59 O 0.01267678602340 0.69188089998164 0.91819142011360 15.999 > 15 60 O 0.51267678602340 0.69188089998164 0.91819142011360 15.999 > 15 61 O 0.33070178152585 0.33070178152585 0.25000000000000 15.999 > 16 62 O 0.83070178152585 0.33070178152585 0.25000000000000 15.999 > 16 63 O 0.33070178152585 0.83070178152585 0.25000000000000 15.999 > 16 64 O 0.83070178152585 0.83070178152585 0.25000000000000 15.999 > 16 65 O 0.30811910001836 0.32079588604177 0.91819142011360 15.999 > 17 66 O 0.80811910001836 0.32079588604177 0.91819142011360 15.999 > 17 67 O 0.30811910001836 0.82079588604177 0.91819142011360 15.999 > 17 68 O 0.80811910001836 0.82079588604177 0.91819142011360 15.999 > 17 69 O 0.30811910001836 0.48732321397660 0.41819142011360 15.999 > 18 70 O 0.80811910001836 0.48732321397660 0.41819142011360 15.999 > 18 71 O 0.30811910001836 0.98732321397660 0.41819142011360 15.999 > 18 72 O 0.80811910001836 0.98732321397660 0.41819142011360 15.999 > 18 73 O 0.33070178152585 0.00000000000000 0.75000000000000 15.999 > 19 74 O 0.83070178152585 0.00000000000000 0.75000000000000 15.999 > 19 75 O 0.33070178152585 0.50000000000000 0.75000000000000 15.999 > 19 76 O 0.83070178152585 0.50000000000000 0.75000000000000 15.999 > 19 77 O 0.32079588604177 0.01267678602340 0.08180857988640 15.999 > 20 78 O 0.82079588604177 0.01267678602340 0.08180857988640 15.999 > 20 79 O 0.32079588604177 0.51267678602340 0.08180857988640 15.999 > 20 80 O 0.82079588604177 0.51267678602340 0.08180857988640 15.999 > 20 81 O 0.01267678602340 0.32079588604177 0.41819142011360 15.999 > 21 82 O 0.51267678602340 0.32079588604177 0.41819142011360 15.999 > 21 83 O 0.01267678602340 0.82079588604177 0.41819142011360 15.999 > 21 84 O 0.51267678602340 0.82079588604177 0.41819142011360 15.999 > 21 85 O 0.00000000000000 0.16929821847415 0.25000000000000 15.999 > 22 86 O 0.50000000000000 0.16929821847415 0.25000000000000 15.999 > 22 87 O 0.00000000000000 0.66929821847415 0.25000000000000 15.999 > 22 88 O 0.50000000000000 0.66929821847415 0.25000000000000 15.999 > 22 89 O 0.48732321397660 0.17920411395823 0.58180857988640 15.999 > 23 90 O 0.98732321397660 0.17920411395823 0.58180857988640 15.999 > 23 91 O 0.48732321397660 0.67920411395823 0.58180857988640 15.999 > 23 92 O 0.98732321397660 0.67920411395823 0.58180857988640 15.999 > 23 93 O 0.17920411395823 0.48732321397660 0.91819142011360 15.999 > 24 94 O 0.67920411395823 0.48732321397660 0.91819142011360 15.999 > 24 95 O 0.17920411395823 0.98732321397660 0.91819142011360 15.999 > 24 96 O 0.67920411395823 0.98732321397660 0.91819142011360 15.999 > 24 97 O 0.16929821847415 0.00000000000000 0.25000000000000 15.999 > 25 98 O 0.66929821847415 0.00000000000000 0.25000000000000 15.999 > 25 99 O 0.16929821847415 0.50000000000000 0.25000000000000 15.999 > 25 100 O 0.66929821847415 0.50000000000000 0.25000000000000 15.999 > 25 101 O 0.19188089998164 0.01267678602340 0.58180857988640 15.999 > 26 102 O 0.69188089998164 0.01267678602340 0.58180857988640 15.999 > 26 103 O 0.19188089998164 0.51267678602340 0.58180857988640 15.999 > 26 104 O 0.69188089998164 0.51267678602340 0.58180857988640 15.999 > 26 105 O 0.19188089998164 0.17920411395823 0.08180857988640 15.999 > 27 106 O 0.69188089998164 0.17920411395823 0.08180857988640 15.999 > 27 107 O 0.19188089998164 0.67920411395823 0.08180857988640 15.999 > 27 108 O 0.69188089998164 0.67920411395823 0.08180857988640 15.999 > 27 109 O 0.48732321397660 0.30811910001836 0.08180857988640 15.999 > 28 110 O 0.98732321397660 0.30811910001836 0.08180857988640 15.999 > 28 111 O 0.48732321397660 0.80811910001836 0.08180857988640 15.999 > 28 112 O 0.98732321397660 0.80811910001836 0.08180857988640 15.999 > 28 113 O 0.00000000000000 0.33070178152585 0.75000000000000 15.999 > 29 114 O 0.50000000000000 0.33070178152585 0.75000000000000 15.999 > 29 115 O 0.00000000000000 0.83070178152585 0.75000000000000 15.999 > 29 116 O 0.50000000000000 0.83070178152585 0.75000000000000 15.999 > 29 117 O 0.32079588604177 0.30811910001836 0.58180857988640 15.999 > 30 118 O 0.82079588604177 0.30811910001836 0.58180857988640 15.999 > 30 119 O 0.32079588604177 0.80811910001836 0.58180857988640 15.999 > 30 120 O 0.82079588604177 0.80811910001836 0.58180857988640 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1773661 0.0000000 0.0000000 -0.0000000 6.1773662 0.0000000 0.0000000 0.0000000 5.5769066 -------------------------- Born effective charges -------------------------- 1 Li 1.2715177 -0.0257675 0.0000000 0.0257675 1.2715177 -0.0000000 0.0000000 0.0000000 1.1118127 2 Li 1.2715177 0.0257675 0.0000000 -0.0257675 1.2715177 -0.0000000 0.0000000 0.0000000 1.1118127 3 Li 1.2715177 0.0257675 0.0000000 -0.0257675 1.2715177 -0.0000000 0.0000000 0.0000000 1.1118127 4 Li 1.2715177 -0.0257675 0.0000000 0.0257675 1.2715177 -0.0000000 0.0000000 0.0000000 1.1118127 5 Ti 5.6703530 -0.4543150 0.0000000 0.4543150 5.6703530 -0.0000000 0.0000000 0.0000000 3.7000627 6 Ti 5.9891193 0.6066495 0.0000000 -0.6066495 5.9891193 -0.0000000 0.0000000 0.0000000 6.1468493 7 Ti 5.6703530 0.4543150 0.0000000 -0.4543150 5.6703530 -0.0000000 0.0000000 0.0000000 3.7000627 8 Ti 5.9891193 -0.6066495 0.0000000 0.6066495 5.9891193 -0.0000000 0.0000000 0.0000000 6.1468493 9 Ti 5.9891193 -0.6066495 0.0000000 0.6066495 5.9891193 -0.0000000 0.0000000 0.0000000 6.1468493 10 Ti 5.9891193 0.6066495 0.0000000 -0.6066495 5.9891193 -0.0000000 0.0000000 0.0000000 6.1468493 11 Ti 5.6703530 0.4543150 0.0000000 -0.4543150 5.6703530 -0.0000000 0.0000000 0.0000000 3.7000627 12 Ti 5.6703530 -0.4543150 0.0000000 0.4543150 5.6703530 -0.0000000 0.0000000 0.0000000 3.7000627 13 O -3.7660524 1.2199880 1.5822600 1.2199880 -2.3573316 -0.9135182 1.5864232 -0.9159218 -2.2606901 14 O -3.5990073 1.0606986 -0.8194620 1.1937565 -1.9599606 0.3092854 -0.7964993 0.2047099 -2.5225632 15 O -3.5990073 -1.0606986 0.8194620 -1.1937565 -1.9599606 0.3092854 0.7964993 0.2047099 -2.5225632 16 O -3.7660524 1.2199880 1.5822600 1.2199880 -2.3573316 -0.9135182 1.5864232 -0.9159218 -2.2606901 17 O -3.3459300 1.3398708 -0.6775800 1.2068129 -2.2130380 0.5550322 -0.5755336 0.5874337 -2.5225632 18 O -1.3935146 0.0795853 0.1418820 0.2126432 -4.1654534 -0.8643176 0.2209657 -0.7921435 -2.5225632 19 O -1.6529711 -0.0000000 0.0000000 0.0000000 -4.4704128 1.8270365 0.0000000 1.8318437 -2.2606901 20 O -1.3935146 -0.0795853 -0.1418820 -0.2126432 -4.1654534 -0.8643176 -0.2209657 -0.7921435 -2.5225632 21 O -3.3459300 -1.3398708 0.6775800 -1.2068129 -2.2130380 0.5550322 0.5755336 0.5874337 -2.5225632 22 O -3.7660524 -1.2199880 -1.5822600 -1.2199880 -2.3573316 -0.9135182 -1.5864232 -0.9159218 -2.2606901 23 O -3.3459300 -1.3398708 0.6775800 -1.2068129 -2.2130380 0.5550322 0.5755336 0.5874337 -2.5225632 24 O -1.3935146 -0.0795853 -0.1418820 -0.2126432 -4.1654534 -0.8643176 -0.2209657 -0.7921435 -2.5225632 25 O -1.6529711 -0.0000000 0.0000000 0.0000000 -4.4704128 1.8270365 0.0000000 1.8318437 -2.2606901 26 O -1.3935146 0.0795853 0.1418820 0.2126432 -4.1654534 -0.8643176 0.2209657 -0.7921435 -2.5225632 27 O -3.3459300 1.3398708 -0.6775800 1.2068129 -2.2130380 0.5550322 -0.5755336 0.5874337 -2.5225632 28 O -3.5990073 -1.0606986 0.8194620 -1.1937565 -1.9599606 0.3092854 0.7964993 0.2047099 -2.5225632 29 O -3.7660524 -1.2199880 -1.5822600 -1.2199880 -2.3573316 -0.9135182 -1.5864232 -0.9159218 -2.2606901 30 O -3.5990073 1.0606986 -0.8194620 1.1937565 -1.9599606 0.3092854 -0.7964993 0.2047099 -2.5225632 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1426 Number of blocks in projector: 670 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 154 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 244 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 190 Use standard eigh solver. Tree of FC basis block matrices: - (1426, 1403), data: False |-- (190, 185), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 10), data: (576, 16) @ (16, 10) |-- (76, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 6), data: (660, 18) @ (18, 6) |-- (160, 154), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 320 - Time: 1.971 Solver_block: 200 / 320 - Time: 2.009 Solver_block: 300 / 320 - Time: 2.004 Solver_block: 320 / 320 - Time: 0.485 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.506 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1426 Number of blocks in projector: 670 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 154 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 244 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 190 Use standard eigh solver. Tree of FC basis block matrices: - (1426, 1403), data: False |-- (190, 185), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 10), data: (576, 16) @ (16, 10) |-- (76, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 6), data: (660, 18) @ (18, 6) |-- (160, 154), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True Max 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 2026-01-09 02:40:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:40:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.014498732365092 0.000000000000000 0.000000000000000 b -2.507249366182546 4.342683289473034 0.000000000000000 c 0.000000000000000 0.000000000000000 13.774966190000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.14542524427765 6.941 2 Li 0.00000000000000 0.00000000000000 0.35457475572235 6.941 3 Li 0.00000000000000 0.00000000000000 0.64542524427765 6.941 4 Li 0.00000000000000 0.00000000000000 0.85457475572235 6.941 5 Ti 0.33333333333333 0.66666666666667 0.02485611243864 47.867 6 Ti 0.33333333333333 0.66666666666667 0.31230509112660 47.867 7 Ti 0.33333333333333 0.66666666666667 0.52485611243864 47.867 8 Ti 0.33333333333333 0.66666666666667 0.81230509112660 47.867 9 Ti 0.66666666666667 0.33333333333333 0.18769490887340 47.867 10 Ti 0.66666666666667 0.33333333333333 0.68769490887340 47.867 11 Ti 0.66666666666667 0.33333333333333 0.47514388756136 47.867 12 Ti 0.66666666666667 0.33333333333333 0.97514388756136 47.867 13 O 0.33859643694831 0.33859643694831 0.75000000000000 15.999 14 O 0.35840822791647 0.38376179996327 0.41819142011360 15.999 15 O 0.02535357204681 0.38376179996327 0.91819142011360 15.999 16 O 0.66140356305169 0.66140356305169 0.25000000000000 15.999 17 O 0.61623820003673 0.64159177208353 0.91819142011360 15.999 18 O 0.61623820003673 0.97464642795319 0.41819142011360 15.999 19 O 0.66140356305169 0.00000000000000 0.75000000000000 15.999 20 O 0.64159177208353 0.02535357204681 0.08180857988640 15.999 21 O 0.02535357204681 0.64159177208353 0.41819142011360 15.999 22 O 0.00000000000000 0.33859643694831 0.25000000000000 15.999 23 O 0.97464642795319 0.35840822791647 0.58180857988640 15.999 24 O 0.35840822791647 0.97464642795319 0.91819142011360 15.999 25 O 0.33859643694831 0.00000000000000 0.25000000000000 15.999 26 O 0.38376179996327 0.02535357204681 0.58180857988640 15.999 27 O 0.38376179996327 0.35840822791647 0.08180857988640 15.999 28 O 0.97464642795319 0.61623820003673 0.08180857988640 15.999 29 O 0.00000000000000 0.66140356305169 0.75000000000000 15.999 30 O 0.64159177208353 0.61623820003673 0.58180857988640 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.028997464730184 0.000000000000000 0.000000000000000 b -5.014498732365092 8.685366578946068 0.000000000000000 c 0.000000000000000 0.000000000000000 13.774966190000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.14542524427765 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.14542524427765 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.14542524427765 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.14542524427765 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.35457475572235 6.941 > 5 6 Li 0.50000000000000 0.00000000000000 0.35457475572235 6.941 > 5 7 Li 0.00000000000000 0.50000000000000 0.35457475572235 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.35457475572235 6.941 > 5 9 Li 0.00000000000000 0.00000000000000 0.64542524427765 6.941 > 9 10 Li 0.50000000000000 0.00000000000000 0.64542524427765 6.941 > 9 11 Li 0.00000000000000 0.50000000000000 0.64542524427765 6.941 > 9 12 Li 0.50000000000000 0.50000000000000 0.64542524427765 6.941 > 9 13 Li 0.00000000000000 0.00000000000000 0.85457475572235 6.941 > 13 14 Li 0.50000000000000 0.00000000000000 0.85457475572235 6.941 > 13 15 Li 0.00000000000000 0.50000000000000 0.85457475572235 6.941 > 13 16 Li 0.50000000000000 0.50000000000000 0.85457475572235 6.941 > 13 17 Ti 0.16666666666667 0.33333333333333 0.02485611243864 47.867 > 17 18 Ti 0.66666666666667 0.33333333333333 0.02485611243864 47.867 > 17 19 Ti 0.16666666666667 0.83333333333333 0.02485611243864 47.867 > 17 20 Ti 0.66666666666667 0.83333333333333 0.02485611243864 47.867 > 17 21 Ti 0.16666666666667 0.33333333333333 0.31230509112660 47.867 > 21 22 Ti 0.66666666666667 0.33333333333333 0.31230509112660 47.867 > 21 23 Ti 0.16666666666667 0.83333333333333 0.31230509112660 47.867 > 21 24 Ti 0.66666666666667 0.83333333333333 0.31230509112660 47.867 > 21 25 Ti 0.16666666666667 0.33333333333333 0.52485611243864 47.867 > 25 26 Ti 0.66666666666667 0.33333333333333 0.52485611243864 47.867 > 25 27 Ti 0.16666666666667 0.83333333333333 0.52485611243864 47.867 > 25 28 Ti 0.66666666666667 0.83333333333333 0.52485611243864 47.867 > 25 29 Ti 0.16666666666667 0.33333333333333 0.81230509112660 47.867 > 29 30 Ti 0.66666666666667 0.33333333333333 0.81230509112660 47.867 > 29 31 Ti 0.16666666666667 0.83333333333333 0.81230509112660 47.867 > 29 32 Ti 0.66666666666667 0.83333333333333 0.81230509112660 47.867 > 29 33 Ti 0.33333333333333 0.16666666666667 0.18769490887340 47.867 > 33 34 Ti 0.83333333333333 0.16666666666667 0.18769490887340 47.867 > 33 35 Ti 0.33333333333333 0.66666666666667 0.18769490887340 47.867 > 33 36 Ti 0.83333333333333 0.66666666666667 0.18769490887340 47.867 > 33 37 Ti 0.33333333333333 0.16666666666667 0.68769490887340 47.867 > 37 38 Ti 0.83333333333333 0.16666666666667 0.68769490887340 47.867 > 37 39 Ti 0.33333333333333 0.66666666666667 0.68769490887340 47.867 > 37 40 Ti 0.83333333333333 0.66666666666667 0.68769490887340 47.867 > 37 41 Ti 0.33333333333333 0.16666666666667 0.47514388756136 47.867 > 41 42 Ti 0.83333333333333 0.16666666666667 0.47514388756136 47.867 > 41 43 Ti 0.33333333333333 0.66666666666667 0.47514388756136 47.867 > 41 44 Ti 0.83333333333333 0.66666666666667 0.47514388756136 47.867 > 41 45 Ti 0.33333333333333 0.16666666666667 0.97514388756136 47.867 > 45 46 Ti 0.83333333333333 0.16666666666667 0.97514388756136 47.867 > 45 47 Ti 0.33333333333333 0.66666666666667 0.97514388756136 47.867 > 45 48 Ti 0.83333333333333 0.66666666666667 0.97514388756136 47.867 > 45 49 O 0.16929821847415 0.16929821847415 0.75000000000000 15.999 > 49 50 O 0.66929821847415 0.16929821847415 0.75000000000000 15.999 > 49 51 O 0.16929821847415 0.66929821847415 0.75000000000000 15.999 > 49 52 O 0.66929821847415 0.66929821847415 0.75000000000000 15.999 > 49 53 O 0.17920411395823 0.19188089998164 0.41819142011360 15.999 > 53 54 O 0.67920411395823 0.19188089998164 0.41819142011360 15.999 > 53 55 O 0.17920411395823 0.69188089998164 0.41819142011360 15.999 > 53 56 O 0.67920411395823 0.69188089998164 0.41819142011360 15.999 > 53 57 O 0.01267678602340 0.19188089998164 0.91819142011360 15.999 > 57 58 O 0.51267678602340 0.19188089998164 0.91819142011360 15.999 > 57 59 O 0.01267678602340 0.69188089998164 0.91819142011360 15.999 > 57 60 O 0.51267678602340 0.69188089998164 0.91819142011360 15.999 > 57 61 O 0.33070178152585 0.33070178152585 0.25000000000000 15.999 > 61 62 O 0.83070178152585 0.33070178152585 0.25000000000000 15.999 > 61 63 O 0.33070178152585 0.83070178152585 0.25000000000000 15.999 > 61 64 O 0.83070178152585 0.83070178152585 0.25000000000000 15.999 > 61 65 O 0.30811910001836 0.32079588604177 0.91819142011360 15.999 > 65 66 O 0.80811910001836 0.32079588604177 0.91819142011360 15.999 > 65 67 O 0.30811910001836 0.82079588604177 0.91819142011360 15.999 > 65 68 O 0.80811910001836 0.82079588604177 0.91819142011360 15.999 > 65 69 O 0.30811910001836 0.48732321397660 0.41819142011360 15.999 > 69 70 O 0.80811910001836 0.48732321397660 0.41819142011360 15.999 > 69 71 O 0.30811910001836 0.98732321397660 0.41819142011360 15.999 > 69 72 O 0.80811910001836 0.98732321397660 0.41819142011360 15.999 > 69 73 O 0.33070178152585 0.00000000000000 0.75000000000000 15.999 > 73 74 O 0.83070178152585 0.00000000000000 0.75000000000000 15.999 > 73 75 O 0.33070178152585 0.50000000000000 0.75000000000000 15.999 > 73 76 O 0.83070178152585 0.50000000000000 0.75000000000000 15.999 > 73 77 O 0.32079588604177 0.01267678602340 0.08180857988640 15.999 > 77 78 O 0.82079588604177 0.01267678602340 0.08180857988640 15.999 > 77 79 O 0.32079588604177 0.51267678602340 0.08180857988640 15.999 > 77 80 O 0.82079588604177 0.51267678602340 0.08180857988640 15.999 > 77 81 O 0.01267678602340 0.32079588604177 0.41819142011360 15.999 > 81 82 O 0.51267678602340 0.32079588604177 0.41819142011360 15.999 > 81 83 O 0.01267678602340 0.82079588604177 0.41819142011360 15.999 > 81 84 O 0.51267678602340 0.82079588604177 0.41819142011360 15.999 > 81 85 O 0.00000000000000 0.16929821847415 0.25000000000000 15.999 > 85 86 O 0.50000000000000 0.16929821847415 0.25000000000000 15.999 > 85 87 O 0.00000000000000 0.66929821847415 0.25000000000000 15.999 > 85 88 O 0.50000000000000 0.66929821847415 0.25000000000000 15.999 > 85 89 O 0.48732321397660 0.17920411395823 0.58180857988640 15.999 > 89 90 O 0.98732321397660 0.17920411395823 0.58180857988640 15.999 > 89 91 O 0.48732321397660 0.67920411395823 0.58180857988640 15.999 > 89 92 O 0.98732321397660 0.67920411395823 0.58180857988640 15.999 > 89 93 O 0.17920411395823 0.48732321397660 0.91819142011360 15.999 > 93 94 O 0.67920411395823 0.48732321397660 0.91819142011360 15.999 > 93 95 O 0.17920411395823 0.98732321397660 0.91819142011360 15.999 > 93 96 O 0.67920411395823 0.98732321397660 0.91819142011360 15.999 > 93 97 O 0.16929821847415 0.00000000000000 0.25000000000000 15.999 > 97 98 O 0.66929821847415 0.00000000000000 0.25000000000000 15.999 > 97 99 O 0.16929821847415 0.50000000000000 0.25000000000000 15.999 > 97 100 O 0.66929821847415 0.50000000000000 0.25000000000000 15.999 > 97 101 O 0.19188089998164 0.01267678602340 0.58180857988640 15.999 > 101 102 O 0.69188089998164 0.01267678602340 0.58180857988640 15.999 > 101 103 O 0.19188089998164 0.51267678602340 0.58180857988640 15.999 > 101 104 O 0.69188089998164 0.51267678602340 0.58180857988640 15.999 > 101 105 O 0.19188089998164 0.17920411395823 0.08180857988640 15.999 > 105 106 O 0.69188089998164 0.17920411395823 0.08180857988640 15.999 > 105 107 O 0.19188089998164 0.67920411395823 0.08180857988640 15.999 > 105 108 O 0.69188089998164 0.67920411395823 0.08180857988640 15.999 > 105 109 O 0.48732321397660 0.30811910001836 0.08180857988640 15.999 > 109 110 O 0.98732321397660 0.30811910001836 0.08180857988640 15.999 > 109 111 O 0.48732321397660 0.80811910001836 0.08180857988640 15.999 > 109 112 O 0.98732321397660 0.80811910001836 0.08180857988640 15.999 > 109 113 O 0.00000000000000 0.33070178152585 0.75000000000000 15.999 > 113 114 O 0.50000000000000 0.33070178152585 0.75000000000000 15.999 > 113 115 O 0.00000000000000 0.83070178152585 0.75000000000000 15.999 > 113 116 O 0.50000000000000 0.83070178152585 0.75000000000000 15.999 > 113 117 O 0.32079588604177 0.30811910001836 0.58180857988640 15.999 > 117 118 O 0.82079588604177 0.30811910001836 0.58180857988640 15.999 > 117 119 O 0.32079588604177 0.80811910001836 0.58180857988640 15.999 > 117 120 O 0.82079588604177 0.80811910001836 0.58180857988640 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1773661 0.0000000 0.0000000 -0.0000000 6.1773662 0.0000000 0.0000000 0.0000000 5.5769066 -------------------------- Born effective charges -------------------------- 1 Li 1.2715177 -0.0257675 0.0000000 0.0257675 1.2715177 -0.0000000 0.0000000 0.0000000 1.1118127 2 Li 1.2715177 0.0257675 0.0000000 -0.0257675 1.2715177 -0.0000000 0.0000000 0.0000000 1.1118127 3 Li 1.2715177 0.0257675 0.0000000 -0.0257675 1.2715177 -0.0000000 0.0000000 0.0000000 1.1118127 4 Li 1.2715177 -0.0257675 0.0000000 0.0257675 1.2715177 -0.0000000 0.0000000 0.0000000 1.1118127 5 Ti 5.6703530 -0.4543150 0.0000000 0.4543150 5.6703530 -0.0000000 0.0000000 0.0000000 3.7000627 6 Ti 5.9891193 0.6066495 0.0000000 -0.6066495 5.9891193 -0.0000000 0.0000000 0.0000000 6.1468493 7 Ti 5.6703530 0.4543150 0.0000000 -0.4543150 5.6703530 -0.0000000 0.0000000 0.0000000 3.7000627 8 Ti 5.9891193 -0.6066495 0.0000000 0.6066495 5.9891193 -0.0000000 0.0000000 0.0000000 6.1468493 9 Ti 5.9891193 -0.6066495 0.0000000 0.6066495 5.9891193 -0.0000000 0.0000000 0.0000000 6.1468493 10 Ti 5.9891193 0.6066495 0.0000000 -0.6066495 5.9891193 -0.0000000 0.0000000 0.0000000 6.1468493 11 Ti 5.6703530 0.4543150 0.0000000 -0.4543150 5.6703530 -0.0000000 0.0000000 0.0000000 3.7000627 12 Ti 5.6703530 -0.4543150 0.0000000 0.4543150 5.6703530 -0.0000000 0.0000000 0.0000000 3.7000627 13 O -3.7660524 1.2199880 1.5822600 1.2199880 -2.3573316 -0.9135182 1.5864232 -0.9159218 -2.2606901 14 O -3.5990073 1.0606986 -0.8194620 1.1937565 -1.9599606 0.3092854 -0.7964993 0.2047099 -2.5225632 15 O -3.5990073 -1.0606986 0.8194620 -1.1937565 -1.9599606 0.3092854 0.7964993 0.2047099 -2.5225632 16 O -3.7660524 1.2199880 1.5822600 1.2199880 -2.3573316 -0.9135182 1.5864232 -0.9159218 -2.2606901 17 O -3.3459300 1.3398708 -0.6775800 1.2068129 -2.2130380 0.5550322 -0.5755336 0.5874337 -2.5225632 18 O -1.3935146 0.0795853 0.1418820 0.2126432 -4.1654534 -0.8643176 0.2209657 -0.7921435 -2.5225632 19 O -1.6529711 -0.0000000 0.0000000 0.0000000 -4.4704128 1.8270365 0.0000000 1.8318437 -2.2606901 20 O -1.3935146 -0.0795853 -0.1418820 -0.2126432 -4.1654534 -0.8643176 -0.2209657 -0.7921435 -2.5225632 21 O -3.3459300 -1.3398708 0.6775800 -1.2068129 -2.2130380 0.5550322 0.5755336 0.5874337 -2.5225632 22 O -3.7660524 -1.2199880 -1.5822600 -1.2199880 -2.3573316 -0.9135182 -1.5864232 -0.9159218 -2.2606901 23 O -3.3459300 -1.3398708 0.6775800 -1.2068129 -2.2130380 0.5550322 0.5755336 0.5874337 -2.5225632 24 O -1.3935146 -0.0795853 -0.1418820 -0.2126432 -4.1654534 -0.8643176 -0.2209657 -0.7921435 -2.5225632 25 O -1.6529711 -0.0000000 0.0000000 0.0000000 -4.4704128 1.8270365 0.0000000 1.8318437 -2.2606901 26 O -1.3935146 0.0795853 0.1418820 0.2126432 -4.1654534 -0.8643176 0.2209657 -0.7921435 -2.5225632 27 O -3.3459300 1.3398708 -0.6775800 1.2068129 -2.2130380 0.5550322 -0.5755336 0.5874337 -2.5225632 28 O -3.5990073 -1.0606986 0.8194620 -1.1937565 -1.9599606 0.3092854 0.7964993 0.2047099 -2.5225632 29 O -3.7660524 -1.2199880 -1.5822600 -1.2199880 -2.3573316 -0.9135182 -1.5864232 -0.9159218 -2.2606901 30 O -3.5990073 1.0606986 -0.8194620 1.1937565 -1.9599606 0.3092854 -0.7964993 0.2047099 -2.5225632 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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: 0.00000022 (yxy) 0.00000022 (yxy) 0.00000022 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000006 (xy) -0.00000006 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:41:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:41:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.014498732365092 0.000000000000000 0.000000000000000 b -2.507249366182546 4.342683289473034 0.000000000000000 c 0.000000000000000 0.000000000000000 13.774966190000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.14542524427765 6.941 2 Li 0.00000000000000 0.00000000000000 0.35457475572235 6.941 3 Li 0.00000000000000 0.00000000000000 0.64542524427765 6.941 4 Li 0.00000000000000 0.00000000000000 0.85457475572235 6.941 5 Ti 0.33333333333333 0.66666666666667 0.02485611243864 47.867 6 Ti 0.33333333333333 0.66666666666667 0.31230509112660 47.867 7 Ti 0.33333333333333 0.66666666666667 0.52485611243864 47.867 8 Ti 0.33333333333333 0.66666666666667 0.81230509112660 47.867 9 Ti 0.66666666666667 0.33333333333333 0.18769490887340 47.867 10 Ti 0.66666666666667 0.33333333333333 0.68769490887340 47.867 11 Ti 0.66666666666667 0.33333333333333 0.47514388756136 47.867 12 Ti 0.66666666666667 0.33333333333333 0.97514388756136 47.867 13 O 0.33859643694831 0.33859643694831 0.75000000000000 15.999 14 O 0.35840822791647 0.38376179996327 0.41819142011360 15.999 15 O 0.02535357204681 0.38376179996327 0.91819142011360 15.999 16 O 0.66140356305169 0.66140356305169 0.25000000000000 15.999 17 O 0.61623820003673 0.64159177208353 0.91819142011360 15.999 18 O 0.61623820003673 0.97464642795319 0.41819142011360 15.999 19 O 0.66140356305169 0.00000000000000 0.75000000000000 15.999 20 O 0.64159177208353 0.02535357204681 0.08180857988640 15.999 21 O 0.02535357204681 0.64159177208353 0.41819142011360 15.999 22 O 0.00000000000000 0.33859643694831 0.25000000000000 15.999 23 O 0.97464642795319 0.35840822791647 0.58180857988640 15.999 24 O 0.35840822791647 0.97464642795319 0.91819142011360 15.999 25 O 0.33859643694831 0.00000000000000 0.25000000000000 15.999 26 O 0.38376179996327 0.02535357204681 0.58180857988640 15.999 27 O 0.38376179996327 0.35840822791647 0.08180857988640 15.999 28 O 0.97464642795319 0.61623820003673 0.08180857988640 15.999 29 O 0.00000000000000 0.66140356305169 0.75000000000000 15.999 30 O 0.64159177208353 0.61623820003673 0.58180857988640 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.028997464730184 0.000000000000000 0.000000000000000 b -5.014498732365092 8.685366578946068 0.000000000000000 c 0.000000000000000 0.000000000000000 13.774966190000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.14542524427765 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.14542524427765 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.14542524427765 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.14542524427765 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.35457475572235 6.941 > 5 6 Li 0.50000000000000 0.00000000000000 0.35457475572235 6.941 > 5 7 Li 0.00000000000000 0.50000000000000 0.35457475572235 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.35457475572235 6.941 > 5 9 Li 0.00000000000000 0.00000000000000 0.64542524427765 6.941 > 9 10 Li 0.50000000000000 0.00000000000000 0.64542524427765 6.941 > 9 11 Li 0.00000000000000 0.50000000000000 0.64542524427765 6.941 > 9 12 Li 0.50000000000000 0.50000000000000 0.64542524427765 6.941 > 9 13 Li 0.00000000000000 0.00000000000000 0.85457475572235 6.941 > 13 14 Li 0.50000000000000 0.00000000000000 0.85457475572235 6.941 > 13 15 Li 0.00000000000000 0.50000000000000 0.85457475572235 6.941 > 13 16 Li 0.50000000000000 0.50000000000000 0.85457475572235 6.941 > 13 17 Ti 0.16666666666667 0.33333333333333 0.02485611243864 47.867 > 17 18 Ti 0.66666666666667 0.33333333333333 0.02485611243864 47.867 > 17 19 Ti 0.16666666666667 0.83333333333333 0.02485611243864 47.867 > 17 20 Ti 0.66666666666667 0.83333333333333 0.02485611243864 47.867 > 17 21 Ti 0.16666666666667 0.33333333333333 0.31230509112660 47.867 > 21 22 Ti 0.66666666666667 0.33333333333333 0.31230509112660 47.867 > 21 23 Ti 0.16666666666667 0.83333333333333 0.31230509112660 47.867 > 21 24 Ti 0.66666666666667 0.83333333333333 0.31230509112660 47.867 > 21 25 Ti 0.16666666666667 0.33333333333333 0.52485611243864 47.867 > 25 26 Ti 0.66666666666667 0.33333333333333 0.52485611243864 47.867 > 25 27 Ti 0.16666666666667 0.83333333333333 0.52485611243864 47.867 > 25 28 Ti 0.66666666666667 0.83333333333333 0.52485611243864 47.867 > 25 29 Ti 0.16666666666667 0.33333333333333 0.81230509112660 47.867 > 29 30 Ti 0.66666666666667 0.33333333333333 0.81230509112660 47.867 > 29 31 Ti 0.16666666666667 0.83333333333333 0.81230509112660 47.867 > 29 32 Ti 0.66666666666667 0.83333333333333 0.81230509112660 47.867 > 29 33 Ti 0.33333333333333 0.16666666666667 0.18769490887340 47.867 > 33 34 Ti 0.83333333333333 0.16666666666667 0.18769490887340 47.867 > 33 35 Ti 0.33333333333333 0.66666666666667 0.18769490887340 47.867 > 33 36 Ti 0.83333333333333 0.66666666666667 0.18769490887340 47.867 > 33 37 Ti 0.33333333333333 0.16666666666667 0.68769490887340 47.867 > 37 38 Ti 0.83333333333333 0.16666666666667 0.68769490887340 47.867 > 37 39 Ti 0.33333333333333 0.66666666666667 0.68769490887340 47.867 > 37 40 Ti 0.83333333333333 0.66666666666667 0.68769490887340 47.867 > 37 41 Ti 0.33333333333333 0.16666666666667 0.47514388756136 47.867 > 41 42 Ti 0.83333333333333 0.16666666666667 0.47514388756136 47.867 > 41 43 Ti 0.33333333333333 0.66666666666667 0.47514388756136 47.867 > 41 44 Ti 0.83333333333333 0.66666666666667 0.47514388756136 47.867 > 41 45 Ti 0.33333333333333 0.16666666666667 0.97514388756136 47.867 > 45 46 Ti 0.83333333333333 0.16666666666667 0.97514388756136 47.867 > 45 47 Ti 0.33333333333333 0.66666666666667 0.97514388756136 47.867 > 45 48 Ti 0.83333333333333 0.66666666666667 0.97514388756136 47.867 > 45 49 O 0.16929821847415 0.16929821847415 0.75000000000000 15.999 > 49 50 O 0.66929821847415 0.16929821847415 0.75000000000000 15.999 > 49 51 O 0.16929821847415 0.66929821847415 0.75000000000000 15.999 > 49 52 O 0.66929821847415 0.66929821847415 0.75000000000000 15.999 > 49 53 O 0.17920411395823 0.19188089998164 0.41819142011360 15.999 > 53 54 O 0.67920411395823 0.19188089998164 0.41819142011360 15.999 > 53 55 O 0.17920411395823 0.69188089998164 0.41819142011360 15.999 > 53 56 O 0.67920411395823 0.69188089998164 0.41819142011360 15.999 > 53 57 O 0.01267678602340 0.19188089998164 0.91819142011360 15.999 > 57 58 O 0.51267678602340 0.19188089998164 0.91819142011360 15.999 > 57 59 O 0.01267678602340 0.69188089998164 0.91819142011360 15.999 > 57 60 O 0.51267678602340 0.69188089998164 0.91819142011360 15.999 > 57 61 O 0.33070178152585 0.33070178152585 0.25000000000000 15.999 > 61 62 O 0.83070178152585 0.33070178152585 0.25000000000000 15.999 > 61 63 O 0.33070178152585 0.83070178152585 0.25000000000000 15.999 > 61 64 O 0.83070178152585 0.83070178152585 0.25000000000000 15.999 > 61 65 O 0.30811910001836 0.32079588604177 0.91819142011360 15.999 > 65 66 O 0.80811910001836 0.32079588604177 0.91819142011360 15.999 > 65 67 O 0.30811910001836 0.82079588604177 0.91819142011360 15.999 > 65 68 O 0.80811910001836 0.82079588604177 0.91819142011360 15.999 > 65 69 O 0.30811910001836 0.48732321397660 0.41819142011360 15.999 > 69 70 O 0.80811910001836 0.48732321397660 0.41819142011360 15.999 > 69 71 O 0.30811910001836 0.98732321397660 0.41819142011360 15.999 > 69 72 O 0.80811910001836 0.98732321397660 0.41819142011360 15.999 > 69 73 O 0.33070178152585 0.00000000000000 0.75000000000000 15.999 > 73 74 O 0.83070178152585 0.00000000000000 0.75000000000000 15.999 > 73 75 O 0.33070178152585 0.50000000000000 0.75000000000000 15.999 > 73 76 O 0.83070178152585 0.50000000000000 0.75000000000000 15.999 > 73 77 O 0.32079588604177 0.01267678602340 0.08180857988640 15.999 > 77 78 O 0.82079588604177 0.01267678602340 0.08180857988640 15.999 > 77 79 O 0.32079588604177 0.51267678602340 0.08180857988640 15.999 > 77 80 O 0.82079588604177 0.51267678602340 0.08180857988640 15.999 > 77 81 O 0.01267678602340 0.32079588604177 0.41819142011360 15.999 > 81 82 O 0.51267678602340 0.32079588604177 0.41819142011360 15.999 > 81 83 O 0.01267678602340 0.82079588604177 0.41819142011360 15.999 > 81 84 O 0.51267678602340 0.82079588604177 0.41819142011360 15.999 > 81 85 O 0.00000000000000 0.16929821847415 0.25000000000000 15.999 > 85 86 O 0.50000000000000 0.16929821847415 0.25000000000000 15.999 > 85 87 O 0.00000000000000 0.66929821847415 0.25000000000000 15.999 > 85 88 O 0.50000000000000 0.66929821847415 0.25000000000000 15.999 > 85 89 O 0.48732321397660 0.17920411395823 0.58180857988640 15.999 > 89 90 O 0.98732321397660 0.17920411395823 0.58180857988640 15.999 > 89 91 O 0.48732321397660 0.67920411395823 0.58180857988640 15.999 > 89 92 O 0.98732321397660 0.67920411395823 0.58180857988640 15.999 > 89 93 O 0.17920411395823 0.48732321397660 0.91819142011360 15.999 > 93 94 O 0.67920411395823 0.48732321397660 0.91819142011360 15.999 > 93 95 O 0.17920411395823 0.98732321397660 0.91819142011360 15.999 > 93 96 O 0.67920411395823 0.98732321397660 0.91819142011360 15.999 > 93 97 O 0.16929821847415 0.00000000000000 0.25000000000000 15.999 > 97 98 O 0.66929821847415 0.00000000000000 0.25000000000000 15.999 > 97 99 O 0.16929821847415 0.50000000000000 0.25000000000000 15.999 > 97 100 O 0.66929821847415 0.50000000000000 0.25000000000000 15.999 > 97 101 O 0.19188089998164 0.01267678602340 0.58180857988640 15.999 > 101 102 O 0.69188089998164 0.01267678602340 0.58180857988640 15.999 > 101 103 O 0.19188089998164 0.51267678602340 0.58180857988640 15.999 > 101 104 O 0.69188089998164 0.51267678602340 0.58180857988640 15.999 > 101 105 O 0.19188089998164 0.17920411395823 0.08180857988640 15.999 > 105 106 O 0.69188089998164 0.17920411395823 0.08180857988640 15.999 > 105 107 O 0.19188089998164 0.67920411395823 0.08180857988640 15.999 > 105 108 O 0.69188089998164 0.67920411395823 0.08180857988640 15.999 > 105 109 O 0.48732321397660 0.30811910001836 0.08180857988640 15.999 > 109 110 O 0.98732321397660 0.30811910001836 0.08180857988640 15.999 > 109 111 O 0.48732321397660 0.80811910001836 0.08180857988640 15.999 > 109 112 O 0.98732321397660 0.80811910001836 0.08180857988640 15.999 > 109 113 O 0.00000000000000 0.33070178152585 0.75000000000000 15.999 > 113 114 O 0.50000000000000 0.33070178152585 0.75000000000000 15.999 > 113 115 O 0.00000000000000 0.83070178152585 0.75000000000000 15.999 > 113 116 O 0.50000000000000 0.83070178152585 0.75000000000000 15.999 > 113 117 O 0.32079588604177 0.30811910001836 0.58180857988640 15.999 > 117 118 O 0.82079588604177 0.30811910001836 0.58180857988640 15.999 > 117 119 O 0.32079588604177 0.80811910001836 0.58180857988640 15.999 > 117 120 O 0.82079588604177 0.80811910001836 0.58180857988640 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1773661 0.0000000 0.0000000 -0.0000000 6.1773662 0.0000000 0.0000000 0.0000000 5.5769066 -------------------------- Born effective charges -------------------------- 1 Li 1.2715177 -0.0257675 0.0000000 0.0257675 1.2715177 -0.0000000 0.0000000 0.0000000 1.1118127 2 Li 1.2715177 0.0257675 0.0000000 -0.0257675 1.2715177 -0.0000000 0.0000000 0.0000000 1.1118127 3 Li 1.2715177 0.0257675 0.0000000 -0.0257675 1.2715177 -0.0000000 0.0000000 0.0000000 1.1118127 4 Li 1.2715177 -0.0257675 0.0000000 0.0257675 1.2715177 -0.0000000 0.0000000 0.0000000 1.1118127 5 Ti 5.6703530 -0.4543150 0.0000000 0.4543150 5.6703530 -0.0000000 0.0000000 0.0000000 3.7000627 6 Ti 5.9891193 0.6066495 0.0000000 -0.6066495 5.9891193 -0.0000000 0.0000000 0.0000000 6.1468493 7 Ti 5.6703530 0.4543150 0.0000000 -0.4543150 5.6703530 -0.0000000 0.0000000 0.0000000 3.7000627 8 Ti 5.9891193 -0.6066495 0.0000000 0.6066495 5.9891193 -0.0000000 0.0000000 0.0000000 6.1468493 9 Ti 5.9891193 -0.6066495 0.0000000 0.6066495 5.9891193 -0.0000000 0.0000000 0.0000000 6.1468493 10 Ti 5.9891193 0.6066495 0.0000000 -0.6066495 5.9891193 -0.0000000 0.0000000 0.0000000 6.1468493 11 Ti 5.6703530 0.4543150 0.0000000 -0.4543150 5.6703530 -0.0000000 0.0000000 0.0000000 3.7000627 12 Ti 5.6703530 -0.4543150 0.0000000 0.4543150 5.6703530 -0.0000000 0.0000000 0.0000000 3.7000627 13 O -3.7660524 1.2199880 1.5822600 1.2199880 -2.3573316 -0.9135182 1.5864232 -0.9159218 -2.2606901 14 O -3.5990073 1.0606986 -0.8194620 1.1937565 -1.9599606 0.3092854 -0.7964993 0.2047099 -2.5225632 15 O -3.5990073 -1.0606986 0.8194620 -1.1937565 -1.9599606 0.3092854 0.7964993 0.2047099 -2.5225632 16 O -3.7660524 1.2199880 1.5822600 1.2199880 -2.3573316 -0.9135182 1.5864232 -0.9159218 -2.2606901 17 O -3.3459300 1.3398708 -0.6775800 1.2068129 -2.2130380 0.5550322 -0.5755336 0.5874337 -2.5225632 18 O -1.3935146 0.0795853 0.1418820 0.2126432 -4.1654534 -0.8643176 0.2209657 -0.7921435 -2.5225632 19 O -1.6529711 -0.0000000 0.0000000 0.0000000 -4.4704128 1.8270365 0.0000000 1.8318437 -2.2606901 20 O -1.3935146 -0.0795853 -0.1418820 -0.2126432 -4.1654534 -0.8643176 -0.2209657 -0.7921435 -2.5225632 21 O -3.3459300 -1.3398708 0.6775800 -1.2068129 -2.2130380 0.5550322 0.5755336 0.5874337 -2.5225632 22 O -3.7660524 -1.2199880 -1.5822600 -1.2199880 -2.3573316 -0.9135182 -1.5864232 -0.9159218 -2.2606901 23 O -3.3459300 -1.3398708 0.6775800 -1.2068129 -2.2130380 0.5550322 0.5755336 0.5874337 -2.5225632 24 O -1.3935146 -0.0795853 -0.1418820 -0.2126432 -4.1654534 -0.8643176 -0.2209657 -0.7921435 -2.5225632 25 O -1.6529711 -0.0000000 0.0000000 0.0000000 -4.4704128 1.8270365 0.0000000 1.8318437 -2.2606901 26 O -1.3935146 0.0795853 0.1418820 0.2126432 -4.1654534 -0.8643176 0.2209657 -0.7921435 -2.5225632 27 O -3.3459300 1.3398708 -0.6775800 1.2068129 -2.2130380 0.5550322 -0.5755336 0.5874337 -2.5225632 28 O -3.5990073 -1.0606986 0.8194620 -1.1937565 -1.9599606 0.3092854 0.7964993 0.2047099 -2.5225632 29 O -3.7660524 -1.2199880 -1.5822600 -1.2199880 -2.3573316 -0.9135182 -1.5864232 -0.9159218 -2.2606901 30 O -3.5990073 1.0606986 -0.8194620 1.1937565 -1.9599606 0.3092854 -0.7964993 0.2047099 -2.5225632 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000022 (yxy) 0.00000022 (yxy) 0.00000022 (yyx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 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: 0.62, Number of G-points: 287, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/69) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 6.379 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.451 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 7.881 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 8.655 ( 0.000 0.000 0.000) 0.000 8.655 ( 0.000 0.000 0.000) 0.000 8.767 ( 0.000 0.000 0.000) 0.000 8.767 ( 0.000 0.000 0.000) 0.000 8.778 ( 0.000 0.000 0.000) 0.000 8.785 ( 0.000 0.000 0.000) 0.000 8.903 ( 0.000 0.000 0.000) 0.000 8.903 ( 0.000 0.000 0.000) 0.000 9.131 ( 0.000 0.000 0.000) 0.000 9.330 ( 0.000 0.000 0.000) 0.000 9.330 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 10.149 ( 0.000 0.000 0.000) 0.000 10.149 ( 0.000 0.000 0.000) 0.000 10.164 ( 0.000 0.000 0.000) 0.000 10.332 ( 0.000 0.000 0.000) 0.000 10.332 ( 0.000 0.000 0.000) 0.000 10.467 ( 0.000 0.000 0.000) 0.000 10.467 ( 0.000 0.000 0.000) 0.000 10.626 ( 0.000 0.000 0.000) 0.000 11.145 ( 0.000 0.000 0.000) 0.000 11.145 ( 0.000 0.000 0.000) 0.000 11.636 ( 0.000 0.000 0.000) 0.000 11.636 ( 0.000 0.000 0.000) 0.000 12.042 ( 0.000 0.000 0.000) 0.000 12.042 ( 0.000 0.000 0.000) 0.000 12.082 ( 0.000 0.000 0.000) 0.000 12.187 ( 0.000 0.000 0.000) 0.000 12.542 ( 0.000 0.000 0.000) 0.000 12.542 ( 0.000 0.000 0.000) 0.000 12.551 ( 0.000 0.000 0.000) 0.000 13.028 ( 0.000 0.000 0.000) 0.000 13.028 ( 0.000 0.000 0.000) 0.000 13.131 ( 0.000 0.000 0.000) 0.000 13.131 ( 0.000 0.000 0.000) 0.000 13.826 ( 0.000 0.000 0.000) 0.000 14.222 ( 0.000 0.000 0.000) 0.000 14.222 ( 0.000 0.000 0.000) 0.000 14.482 ( 0.000 0.000 0.000) 0.000 14.557 ( 0.000 0.000 0.000) 0.000 14.557 ( 0.000 0.000 0.000) 0.000 15.451 ( 0.000 0.000 0.000) 0.000 15.631 ( 0.000 0.000 0.000) 0.000 15.815 ( 0.000 0.000 0.000) 0.000 15.847 ( 0.000 0.000 0.000) 0.000 15.847 ( 0.000 0.000 0.000) 0.000 15.870 ( 0.000 0.000 0.000) 0.000 15.870 ( 0.000 0.000 0.000) 0.000 16.659 ( 0.000 0.000 0.000) 0.000 16.659 ( 0.000 0.000 0.000) 0.000 17.220 ( 0.000 0.000 0.000) 0.000 17.220 ( 0.000 0.000 0.000) 0.000 17.924 ( 0.000 0.000 0.000) 0.000 18.288 ( 0.000 0.000 0.000) 0.000 18.288 ( 0.000 0.000 0.000) 0.000 18.565 ( 0.000 0.000 0.000) 0.000 18.565 ( 0.000 0.000 0.000) 0.000 20.220 ( 0.000 0.000 0.000) 0.000 22.220 ( 0.000 0.000 0.000) 0.000 22.276 ( 0.000 0.000 0.000) 0.000 24.028 ( 0.000 0.000 0.000) 0.000 24.647 ( 0.000 0.000 0.000) 0.000 24.926 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/69) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 23.048 13.307 -19.311) 32.882 0.584 ( 26.544 15.325 -1.403) 30.682 1.583 ( 69.689 40.235 6.531) 80.734 2.582 ( -2.040 -1.178 28.853) 28.949 2.781 ( 14.887 8.595 -24.177) 29.665 3.036 ( 11.965 6.908 -29.526) 32.599 3.179 ( 26.637 15.379 24.536) 39.345 4.405 ( 2.035 1.175 8.358) 8.683 4.652 ( -1.386 -0.800 -14.888) 14.974 4.809 ( 7.058 4.075 12.097) 14.586 4.872 ( 13.694 7.906 -4.028) 16.317 5.008 ( 0.584 0.337 0.636) 0.927 5.375 ( -7.364 -4.252 -2.532) 8.872 5.554 ( 0.489 0.282 -0.688) 0.889 5.691 ( 3.061 1.767 3.533) 4.998 5.984 ( 0.210 0.121 -0.186) 0.305 6.352 ( -4.993 -2.883 0.139) 5.767 6.406 ( 2.367 1.367 -0.029) 2.733 7.224 ( -3.197 -1.846 -0.684) 3.754 7.242 ( -1.328 -0.767 1.314) 2.020 7.410 ( -3.083 -1.780 -0.177) 3.565 7.772 ( -2.696 -1.556 -0.962) 3.258 7.800 ( -1.801 -1.040 -0.073) 2.081 7.890 ( 2.470 1.426 1.041) 3.036 8.138 ( 0.920 0.531 0.135) 1.071 8.279 ( -7.896 -4.559 -2.159) 9.370 8.577 ( -6.970 -4.024 -1.614) 8.209 8.623 ( -12.171 -7.027 0.738) 14.073 8.726 ( -8.564 -4.945 -1.264) 9.970 8.741 ( -2.558 -1.477 -1.788) 3.453 8.779 ( 1.028 0.594 -0.420) 1.259 8.805 ( 2.579 1.489 -0.161) 2.983 8.885 ( -2.011 -1.161 4.560) 5.117 9.105 ( -2.018 -1.165 -2.983) 3.785 9.128 ( -14.129 -8.157 0.105) 16.315 9.345 ( 0.926 0.535 0.100) 1.074 9.820 ( -1.956 -1.130 6.469) 6.852 9.943 ( 0.219 0.126 -0.484) 0.546 10.002 ( 0.414 0.239 -1.198) 1.290 10.117 ( 0.110 0.064 -4.227) 4.228 10.156 ( 1.164 0.672 -1.733) 2.193 10.378 ( -3.280 -1.894 0.766) 3.865 10.390 ( 2.475 1.429 2.645) 3.894 10.404 ( -3.550 -2.049 0.444) 4.123 10.443 ( 7.511 4.336 -1.300) 8.769 10.656 ( 1.522 0.879 -0.256) 1.776 11.111 ( -4.454 -2.571 -3.063) 5.986 11.147 ( 6.093 3.518 1.492) 7.192 11.205 ( 4.316 2.492 2.135) 5.422 11.573 ( -5.231 -3.020 -8.959) 10.805 11.601 ( -5.414 -3.126 10.019) 11.810 11.865 ( -10.728 -6.194 -6.194) 13.850 11.953 ( -6.081 -3.511 5.828) 9.126 12.035 ( -11.438 -6.604 0.032) 13.208 12.193 ( -1.867 -1.078 -2.977) 3.675 12.448 ( -1.879 -1.085 2.105) 3.023 12.849 ( -2.102 -1.213 -3.103) 3.939 12.862 ( 16.388 9.462 3.355) 19.218 13.044 ( -0.081 -0.047 -0.591) 0.598 13.048 ( 1.688 0.974 -0.143) 1.954 13.107 ( 0.284 0.164 0.560) 0.649 13.172 ( 3.672 2.120 -1.947) 4.665 13.819 ( -0.108 -0.062 -0.316) 0.339 14.245 ( 0.989 0.571 2.721) 2.951 14.391 ( -7.621 -4.400 4.799) 10.023 14.527 ( -1.011 -0.584 -6.613) 6.716 14.561 ( 0.421 0.243 -0.931) 1.051 15.282 ( -11.330 -6.541 -0.808) 13.107 15.384 ( -8.979 -5.184 7.314) 12.688 15.553 ( -5.200 -3.002 -3.209) 6.808 15.836 ( 3.441 1.987 -1.420) 4.220 15.840 ( -0.646 -0.373 0.751) 1.059 15.894 ( 0.939 0.542 -3.500) 3.664 16.006 ( 8.698 5.022 2.247) 10.292 16.545 ( 7.677 4.432 7.025) 11.310 16.694 ( 3.072 1.773 -4.842) 6.003 17.181 ( 5.652 3.263 5.710) 8.672 17.266 ( 3.280 1.894 -7.298) 8.222 18.022 ( 8.401 4.850 4.961) 10.895 18.243 ( -3.467 -2.002 -5.247) 6.600 18.582 ( 22.920 13.233 1.167) 26.492 18.586 ( 1.877 1.084 -2.961) 3.669 18.593 ( 3.812 2.201 1.852) 4.776 20.268 ( 4.101 2.368 1.124) 4.867 22.160 ( -5.224 -3.016 -0.044) 6.032 22.238 ( -3.428 -1.979 0.056) 3.959 24.060 ( 2.585 1.493 -0.196) 2.992 24.654 ( 0.412 0.238 3.529) 3.561 24.878 ( -4.126 -2.382 0.205) 4.768 24.962 ( -1.765 -1.019 -3.543) 4.087 ======================= Grid point 2 (3/69) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 30.412 17.559 -15.582) 38.419 1.183 ( 27.750 16.022 1.409) 32.074 2.569 ( 5.426 3.133 23.180) 24.012 3.071 ( 54.418 31.418 5.649) 63.090 3.223 ( 21.715 12.537 -15.449) 29.451 3.362 ( 21.831 12.604 -26.464) 36.549 3.822 ( 28.737 16.591 19.240) 38.357 4.452 ( 2.211 1.277 12.785) 13.038 4.627 ( -0.726 -0.419 -12.486) 12.514 4.998 ( 9.462 5.463 8.477) 13.828 5.008 ( 1.440 0.831 12.426) 12.537 5.194 ( -6.746 -3.895 -16.236) 18.008 5.286 ( 19.259 11.119 -7.063) 23.333 5.559 ( 0.553 0.319 -1.607) 1.730 5.756 ( 1.287 0.743 5.733) 5.923 5.996 ( 1.014 0.585 -0.442) 1.252 6.214 ( -6.212 -3.586 1.929) 7.427 6.474 ( 3.271 1.888 -0.989) 3.904 7.113 ( -6.732 -3.887 -1.243) 7.873 7.202 ( -2.402 -1.387 3.087) 4.150 7.343 ( -2.592 -1.496 -1.124) 3.196 7.671 ( -6.142 -3.546 -1.579) 7.266 7.707 ( -5.920 -3.418 0.876) 6.892 7.930 ( -0.897 -0.518 3.683) 3.826 8.111 ( -7.591 -4.383 -4.827) 10.007 8.173 ( -0.378 -0.218 -3.384) 3.412 8.356 ( -8.442 -4.874 8.084) 12.663 8.385 ( -9.314 -5.377 -0.284) 10.758 8.426 ( -13.304 -7.681 -5.478) 16.310 8.661 ( -4.909 -2.834 -1.599) 5.889 8.772 ( -7.468 -4.312 0.268) 8.627 8.810 ( 0.334 0.193 5.292) 5.306 8.834 ( -3.193 -1.843 -0.439) 3.713 8.930 ( -0.363 -0.209 -1.933) 1.978 9.093 ( 1.481 0.855 -3.193) 3.622 9.337 ( -1.732 -1.000 -1.304) 2.388 9.807 ( 0.651 0.376 5.463) 5.514 9.861 ( -5.866 -3.387 -2.409) 7.189 9.939 ( -4.569 -2.638 1.924) 5.616 10.139 ( -4.084 -2.358 -2.706) 5.437 10.193 ( 4.614 2.664 -2.887) 6.060 10.306 ( -3.851 -2.223 -1.829) 4.808 10.337 ( -0.647 -0.373 2.465) 2.576 10.446 ( 1.263 0.729 0.967) 1.750 10.594 ( 5.622 3.246 2.525) 6.966 10.661 ( -1.120 -0.646 -2.833) 3.114 10.910 ( -13.179 -7.609 -1.332) 15.276 11.248 ( -6.979 -4.029 5.771) 9.912 11.350 ( 1.270 0.733 2.603) 2.988 11.427 ( 8.629 4.982 6.121) 11.694 11.434 ( -6.564 -3.790 -10.916) 13.289 11.709 ( -5.516 -3.185 -5.650) 8.514 11.780 ( -10.270 -5.930 0.967) 11.898 11.813 ( -6.834 -3.946 5.811) 9.800 12.116 ( -3.966 -2.290 -6.920) 8.299 12.428 ( -0.106 -0.061 5.928) 5.929 12.746 ( -5.899 -3.406 -2.213) 7.162 12.868 ( -7.845 -4.529 0.281) 9.063 13.078 ( -0.055 -0.032 -0.850) 0.852 13.130 ( 0.206 0.119 1.744) 1.761 13.258 ( 3.190 1.842 -4.811) 6.060 13.310 ( 15.416 8.901 7.964) 19.501 13.853 ( 3.602 2.080 -1.744) 4.510 14.145 ( -7.373 -4.257 6.531) 10.731 14.327 ( 0.676 0.390 1.584) 1.766 14.506 ( -1.453 -0.839 -13.561) 13.665 14.574 ( 0.604 0.349 -1.199) 1.387 15.037 ( -10.137 -5.853 -1.162) 11.763 15.120 ( -13.112 -7.570 6.830) 16.610 15.424 ( -6.079 -3.510 -0.391) 7.031 15.805 ( -2.673 -1.543 1.475) 3.421 15.883 ( -1.851 -1.069 -2.432) 3.238 15.979 ( 8.415 4.858 -4.408) 10.670 16.208 ( 9.610 5.548 6.719) 12.972 16.752 ( 9.872 5.700 10.767) 15.680 16.790 ( 5.407 3.122 -9.440) 11.318 17.294 ( 3.284 1.896 14.044) 14.547 17.346 ( 3.908 2.256 -14.454) 15.142 18.183 ( -0.536 -0.309 -11.946) 11.962 18.259 ( 12.103 6.987 11.458) 18.071 18.642 ( 3.009 1.737 -5.143) 6.206 18.663 ( 3.798 2.193 4.080) 5.990 19.219 ( 29.986 17.313 -1.464) 34.656 20.387 ( 6.277 3.624 1.727) 7.451 22.001 ( -8.774 -5.065 -0.297) 10.135 22.128 ( -6.390 -3.689 0.393) 7.389 24.120 ( 2.282 1.317 -1.323) 2.948 24.648 ( -1.488 -0.859 6.152) 6.387 24.754 ( -6.756 -3.901 1.290) 7.907 24.914 ( -2.221 -1.282 -6.047) 6.568 ======================= Grid point 3 (4/69) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 33.852 19.545 -12.675) 41.093 1.816 ( 29.267 16.897 2.287) 33.872 2.723 ( 8.843 5.106 16.109) 19.073 3.600 ( 13.646 7.878 -21.253) 26.457 3.617 ( 12.346 7.128 -11.134) 18.089 4.296 ( 9.388 5.420 23.568) 25.942 4.388 ( 41.308 23.849 1.160) 47.712 4.559 ( 8.080 4.665 16.403) 18.871 4.659 ( 9.859 5.692 -5.701) 12.732 4.959 ( -0.128 -0.074 6.913) 6.914 5.200 ( 8.424 4.863 3.850) 10.461 5.250 ( 8.858 5.114 -21.322) 23.649 5.609 ( 6.889 3.977 -1.674) 8.129 5.659 ( -10.648 -6.148 3.136) 12.689 5.698 ( 15.449 8.920 -7.737) 19.444 6.036 ( 2.845 1.643 -0.179) 3.290 6.159 ( 1.938 1.119 7.953) 8.261 6.518 ( -0.152 -0.088 -5.006) 5.009 6.938 ( -8.684 -5.014 -1.259) 10.106 7.129 ( -4.183 -2.415 5.238) 7.126 7.300 ( -1.138 -0.657 -1.797) 2.226 7.530 ( -5.828 -3.365 -1.354) 6.864 7.532 ( -10.263 -5.925 2.498) 12.111 7.804 ( -17.128 -9.889 -5.840) 20.621 7.875 ( -2.104 -1.215 5.344) 5.871 8.116 ( -7.731 -4.464 -3.622) 9.634 8.195 ( -7.679 -4.433 3.173) 9.417 8.206 ( -1.619 -0.935 -0.419) 1.916 8.377 ( 5.227 3.018 4.477) 7.515 8.499 ( -8.976 -5.182 1.022) 10.415 8.660 ( -2.515 -1.452 -1.960) 3.503 8.731 ( -4.305 -2.485 -5.114) 7.132 8.810 ( 0.970 0.560 0.068) 1.122 9.043 ( 7.835 4.524 1.531) 9.176 9.133 ( 1.587 0.916 -2.950) 3.473 9.257 ( -5.348 -3.088 -1.887) 6.457 9.740 ( -4.607 -2.660 -4.032) 6.676 9.823 ( -3.941 -2.276 3.886) 5.984 9.843 ( -0.402 -0.232 6.646) 6.663 10.018 ( -5.183 -2.992 -1.914) 6.283 10.192 ( -6.181 -3.569 -2.576) 7.588 10.271 ( 1.156 0.668 -2.511) 2.844 10.304 ( -2.548 -1.471 4.472) 5.353 10.476 ( 1.802 1.040 -1.060) 2.335 10.582 ( -12.349 -7.129 -4.159) 14.853 10.619 ( -4.956 -2.861 -1.171) 5.841 10.686 ( 2.391 1.381 4.617) 5.379 10.936 ( -14.330 -8.274 3.908) 17.002 11.314 ( -3.925 -2.266 -7.655) 8.896 11.388 ( 0.979 0.565 2.285) 2.550 11.566 ( -9.027 -5.212 2.860) 10.809 11.585 ( -3.878 -2.239 -3.634) 5.767 11.672 ( -5.647 -3.261 4.225) 7.770 11.742 ( 10.100 5.831 3.718) 12.240 12.045 ( -0.662 -0.382 -9.919) 9.948 12.435 ( 0.145 0.084 6.589) 6.591 12.645 ( -2.346 -1.355 -1.064) 2.911 12.682 ( -7.723 -4.459 1.551) 9.051 13.037 ( -3.236 -1.868 -1.199) 3.924 13.100 ( -2.745 -1.585 1.824) 3.657 13.289 ( -0.187 -0.108 -5.928) 5.932 13.535 ( 4.512 2.605 11.896) 12.987 13.975 ( 7.106 4.102 -3.765) 9.028 14.051 ( -0.998 -0.576 2.275) 2.550 14.331 ( -1.308 -0.755 -3.888) 4.171 14.452 ( -2.394 -1.382 -7.336) 7.839 14.576 ( -1.064 -0.614 -1.441) 1.894 14.848 ( -6.803 -3.928 -0.721) 7.888 14.859 ( -9.426 -5.442 7.444) 13.187 15.301 ( -4.797 -2.770 -2.282) 5.991 15.717 ( -5.285 -3.051 0.819) 6.157 15.806 ( -5.231 -3.020 -2.523) 6.546 16.181 ( 9.416 5.436 -2.567) 11.171 16.427 ( 9.698 5.599 7.294) 13.364 16.924 ( 6.218 3.590 -10.239) 12.506 16.935 ( 5.860 3.383 11.216) 13.099 17.300 ( -2.287 -1.320 18.781) 18.965 17.446 ( 5.592 3.229 -17.138) 18.314 18.262 ( 7.609 4.393 -14.220) 16.716 18.520 ( 10.543 6.087 11.440) 16.706 18.711 ( 3.107 1.794 -6.134) 7.106 18.757 ( 4.953 2.860 5.830) 8.167 19.826 ( 23.956 13.831 -2.537) 27.778 20.532 ( 6.579 3.799 1.916) 7.835 21.789 ( -9.989 -5.767 -0.757) 11.559 21.962 ( -8.339 -4.815 1.055) 9.687 24.147 ( 0.117 0.067 -3.298) 3.301 24.578 ( -4.700 -2.714 5.487) 7.717 24.594 ( -7.382 -4.262 3.045) 9.051 24.872 ( -1.615 -0.933 -5.150) 5.478 ======================= Grid point 4 (5/69) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 29.012 16.750 1.544) 33.535 2.492 ( 31.342 18.095 -10.290) 37.625 2.944 ( 10.584 6.111 8.274) 14.759 3.787 ( 4.378 2.527 -10.753) 11.882 3.860 ( 9.650 5.571 -15.592) 19.164 4.359 ( 0.117 0.068 19.236) 19.237 4.552 ( -6.074 -3.507 20.038) 21.230 4.588 ( -0.485 -0.280 -2.528) 2.590 5.212 ( 15.255 8.807 -4.180) 18.104 5.229 ( 7.247 4.184 7.820) 11.453 5.348 ( -8.764 -5.060 -1.473) 10.227 5.425 ( 7.391 4.267 -9.323) 12.639 5.493 ( 19.207 11.089 -2.989) 22.379 5.824 ( 9.079 5.242 1.361) 10.571 6.016 ( 14.811 8.551 -7.958) 18.863 6.148 ( 8.103 4.678 0.184) 9.358 6.244 ( 4.429 2.557 10.168) 11.382 6.453 ( -5.119 -2.956 -9.861) 11.497 6.757 ( -6.814 -3.934 -0.791) 7.908 7.026 ( -4.603 -2.657 2.026) 5.688 7.229 ( -11.967 -6.909 -2.034) 13.967 7.341 ( 0.583 0.336 6.239) 6.275 7.432 ( -4.041 -2.333 0.484) 4.692 7.459 ( -11.595 -6.695 -4.197) 14.031 7.848 ( -1.833 -1.059 4.433) 4.913 7.879 ( -11.644 -6.723 -1.764) 13.561 8.035 ( -6.117 -3.532 2.166) 7.388 8.274 ( 5.282 3.049 1.377) 6.252 8.320 ( -6.623 -3.824 3.583) 8.445 8.502 ( 5.501 3.176 0.398) 6.364 8.667 ( 3.374 1.948 -0.509) 3.930 8.689 ( 0.630 0.364 -9.244) 9.272 8.866 ( 3.774 2.179 -1.429) 4.586 9.082 ( -6.637 -3.832 -1.207) 7.758 9.190 ( 4.272 2.466 1.994) 5.320 9.209 ( 2.182 1.260 -2.027) 3.233 9.647 ( -4.236 -2.446 -4.692) 6.778 9.684 ( -7.372 -4.256 9.585) 12.819 9.800 ( -3.267 -1.886 -1.011) 3.905 9.984 ( 0.976 0.564 2.002) 2.297 10.034 ( -7.425 -4.287 -2.635) 8.969 10.228 ( -4.148 -2.395 5.735) 7.472 10.250 ( -3.735 -2.156 -6.382) 7.702 10.341 ( -6.003 -3.466 3.632) 7.825 10.468 ( -3.891 -2.247 1.159) 4.640 10.588 ( 2.154 1.244 -7.264) 7.678 10.614 ( -9.167 -5.293 2.944) 10.987 10.766 ( -0.176 -0.102 1.371) 1.386 11.258 ( -1.350 -0.780 -4.197) 4.477 11.361 ( -2.456 -1.418 1.184) 3.073 11.400 ( -5.500 -3.175 3.729) 7.364 11.565 ( 1.531 0.884 -1.084) 2.073 11.569 ( -3.592 -2.074 2.245) 4.716 11.744 ( -6.208 -3.584 -3.795) 8.112 12.150 ( 5.956 3.439 -3.649) 7.785 12.384 ( -4.701 -2.714 3.966) 6.723 12.600 ( 0.728 0.420 2.662) 2.792 12.644 ( 1.504 0.868 0.955) 1.982 12.950 ( -4.352 -2.513 -1.074) 5.139 13.015 ( -4.791 -2.766 1.445) 5.718 13.294 ( 1.996 1.153 -6.209) 6.623 13.552 ( -1.707 -0.986 10.019) 10.211 14.054 ( 0.008 0.004 4.962) 4.962 14.149 ( 7.889 4.555 -4.675) 10.239 14.221 ( -6.477 -3.739 -15.133) 16.880 14.458 ( 0.619 0.357 7.691) 7.724 14.474 ( -8.292 -4.787 1.065) 9.634 14.753 ( -0.524 -0.303 -2.738) 2.804 14.757 ( 0.539 0.311 3.311) 3.369 15.219 ( -2.535 -1.463 -4.004) 4.959 15.568 ( -8.192 -4.730 -0.683) 9.484 15.646 ( -9.210 -5.317 -0.105) 10.635 16.385 ( 8.808 5.085 -1.585) 10.293 16.620 ( 7.641 4.412 4.813) 10.051 16.999 ( 0.104 0.060 10.220) 10.220 17.025 ( 2.156 1.245 -7.016) 7.445 17.237 ( -2.642 -1.525 14.249) 14.572 17.614 ( 9.484 5.475 -16.265) 19.607 18.476 ( 10.392 6.000 -9.550) 15.336 18.682 ( 3.798 2.193 8.348) 9.430 18.774 ( 2.464 1.422 -5.720) 6.388 18.899 ( 7.570 4.371 7.165) 11.303 20.270 ( 16.204 9.356 -3.145) 18.974 20.671 ( 5.878 3.394 1.886) 7.044 21.574 ( -9.115 -5.263 -1.176) 10.591 21.770 ( -8.748 -5.051 1.746) 10.251 24.131 ( -1.337 -0.772 -4.807) 5.048 24.441 ( -6.163 -3.558 4.333) 8.332 24.458 ( -5.536 -3.196 3.323) 7.205 24.837 ( -1.648 -0.951 -2.836) 3.415 ======================= Grid point 5 (6/69) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 21.891 12.639 7.280) 26.305 3.088 ( 20.839 12.031 -7.058) 25.076 3.167 ( 9.911 5.722 -5.158) 12.553 3.856 ( 2.252 1.300 -7.261) 7.712 4.020 ( 4.886 2.821 -7.410) 9.313 4.346 ( -1.316 -0.760 5.009) 5.235 4.432 ( -3.527 -2.036 18.779) 19.216 4.492 ( -9.092 -5.249 1.614) 10.622 5.020 ( -8.960 -5.173 3.808) 11.025 5.397 ( 3.489 2.014 -2.546) 4.766 5.398 ( 3.360 1.940 -11.331) 11.977 5.602 ( 4.324 2.496 5.423) 7.371 5.781 ( 5.195 3.000 -1.418) 6.165 5.950 ( 5.808 3.353 5.235) 8.508 6.280 ( 1.441 0.832 -0.036) 1.664 6.289 ( -2.377 -1.372 -4.263) 5.070 6.379 ( 5.314 3.068 4.443) 7.576 6.405 ( 10.857 6.269 -11.430) 16.965 6.685 ( 1.174 0.678 0.713) 1.531 6.915 ( -7.468 -4.312 0.268) 8.628 6.988 ( -4.946 -2.856 -0.541) 5.737 7.252 ( -4.970 -2.870 -0.270) 5.746 7.397 ( 2.351 1.357 1.967) 3.352 7.416 ( 0.258 0.149 -0.321) 0.438 7.651 ( -7.816 -4.513 0.339) 9.032 7.724 ( -7.832 -4.522 9.473) 13.096 8.004 ( 2.636 1.522 -8.678) 9.196 8.208 ( -3.713 -2.144 5.725) 7.153 8.386 ( 3.956 2.284 1.488) 4.805 8.624 ( 5.278 3.047 -0.277) 6.101 8.727 ( 1.738 1.003 -11.362) 11.538 8.757 ( 3.147 1.817 2.787) 4.580 8.958 ( 3.934 2.272 -0.607) 4.583 8.960 ( -2.998 -1.731 2.095) 4.047 9.224 ( -2.673 -1.543 0.112) 3.088 9.235 ( 1.410 0.814 1.840) 2.457 9.528 ( -7.397 -4.270 -5.206) 10.002 9.572 ( -1.137 -0.656 5.357) 5.515 9.743 ( -1.726 -0.997 -0.130) 1.998 9.914 ( -1.851 -1.069 -1.602) 2.672 9.996 ( -0.099 -0.057 1.302) 1.307 10.138 ( -3.199 -1.847 4.119) 5.533 10.150 ( -3.299 -1.905 -7.718) 8.607 10.271 ( -3.658 -2.112 6.199) 7.501 10.398 ( -0.729 -0.421 -0.039) 0.843 10.435 ( -6.371 -3.679 0.579) 7.380 10.647 ( 2.270 1.311 -3.655) 4.498 10.792 ( 1.897 1.095 0.950) 2.387 11.243 ( -0.164 -0.094 -2.662) 2.669 11.317 ( -2.368 -1.367 2.588) 3.765 11.322 ( -0.667 -0.385 1.630) 1.803 11.515 ( -1.337 -0.772 1.185) 1.946 11.579 ( -5.512 -3.182 -2.425) 6.811 11.617 ( 0.455 0.263 -1.799) 1.875 12.215 ( 0.351 0.203 -2.459) 2.493 12.290 ( -3.124 -1.803 2.782) 4.555 12.662 ( 4.134 2.387 -0.381) 4.788 12.689 ( 2.594 1.498 2.181) 3.705 12.857 ( -3.814 -2.202 -1.058) 4.529 12.898 ( -5.504 -3.178 1.989) 6.660 13.396 ( 6.139 3.544 -4.735) 8.525 13.494 ( -2.950 -1.703 5.615) 6.568 14.008 ( -3.399 -1.962 2.193) 4.496 14.151 ( 0.261 0.151 -8.995) 9.000 14.199 ( -7.323 -4.228 4.328) 9.499 14.360 ( 2.639 1.524 -5.271) 6.089 14.403 ( -4.449 -2.569 6.954) 8.646 14.852 ( 7.837 4.525 -1.813) 9.230 14.861 ( 9.102 5.255 -0.622) 10.528 15.183 ( -1.059 -0.611 -2.891) 3.139 15.356 ( -10.863 -6.272 -1.954) 12.695 15.404 ( -12.181 -7.033 3.211) 14.427 16.561 ( 6.675 3.854 -1.310) 7.818 16.766 ( 5.520 3.187 2.815) 6.968 16.964 ( -2.563 -1.480 6.910) 7.517 17.023 ( -1.796 -1.037 -4.150) 4.640 17.194 ( -1.219 -0.704 6.932) 7.073 17.825 ( 8.156 4.709 -10.524) 14.123 18.676 ( 6.917 3.994 -3.926) 8.900 18.718 ( 0.187 0.108 5.831) 5.835 18.816 ( 1.228 0.709 -3.920) 4.169 19.049 ( 5.205 3.005 4.402) 7.450 20.549 ( 8.955 5.170 -2.629) 10.669 20.786 ( 4.216 2.434 1.436) 5.076 21.399 ( -6.173 -3.564 -1.111) 7.214 21.594 ( -6.520 -3.764 1.715) 7.721 24.101 ( -1.148 -0.663 -3.924) 4.142 24.331 ( -3.515 -2.030 3.532) 5.380 24.353 ( -3.586 -2.070 1.553) 4.422 24.803 ( -1.289 -0.744 -1.184) 1.902 ======================= Grid point 6 (7/69) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 0.000 0.000 -0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 -0.000) 0.000 4.083 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 -0.000) 0.000 4.399 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 -0.000) 0.000 5.435 ( 0.000 0.000 -0.000) 0.000 5.438 ( 0.000 0.000 -0.000) 0.000 5.610 ( 0.000 0.000 0.000) 0.000 5.827 ( 0.000 0.000 0.000) 0.000 6.098 ( -0.000 -0.000 -0.000) 0.000 6.168 ( 0.000 0.000 0.000) 0.000 6.289 ( 0.000 0.000 0.000) 0.000 6.411 ( 0.000 0.000 -0.000) 0.000 6.582 ( 0.000 0.000 0.000) 0.000 6.723 ( 0.000 0.000 -0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 -0.000) 0.000 7.205 ( 0.000 0.000 -0.000) 0.000 7.419 ( 0.000 0.000 0.000) 0.000 7.427 ( 0.000 0.000 -0.000) 0.000 7.561 ( 0.000 0.000 -0.000) 0.000 7.619 ( 0.000 0.000 -0.000) 0.000 8.060 ( 0.000 0.000 0.000) 0.000 8.154 ( 0.000 0.000 -0.000) 0.000 8.431 ( 0.000 0.000 -0.000) 0.000 8.693 ( -0.000 -0.000 -0.000) 0.000 8.738 ( 0.000 0.000 0.000) 0.000 8.786 ( 0.000 0.000 -0.000) 0.000 8.960 ( 0.000 0.000 -0.000) 0.000 9.006 ( 0.000 0.000 -0.000) 0.000 9.149 ( -0.000 -0.000 0.000) 0.000 9.331 ( 0.000 0.000 -0.000) 0.000 9.343 ( 0.000 0.000 -0.000) 0.000 9.583 ( -0.000 -0.000 0.000) 0.000 9.723 ( 0.000 0.000 -0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 9.992 ( 0.000 0.000 -0.000) 0.000 10.106 ( 0.000 0.000 0.000) 0.000 10.113 ( 0.000 0.000 -0.000) 0.000 10.210 ( 0.000 0.000 0.000) 0.000 10.355 ( 0.000 0.000 0.000) 0.000 10.402 ( 0.000 0.000 -0.000) 0.000 10.674 ( 0.000 0.000 -0.000) 0.000 10.821 ( -0.000 -0.000 -0.000) 0.000 11.244 ( 0.000 0.000 0.000) 0.000 11.289 ( 0.000 0.000 -0.000) 0.000 11.324 ( 0.000 0.000 0.000) 0.000 11.488 ( 0.000 0.000 -0.000) 0.000 11.502 ( 0.000 0.000 -0.000) 0.000 11.635 ( 0.000 0.000 0.000) 0.000 12.210 ( 0.000 0.000 -0.000) 0.000 12.254 ( 0.000 0.000 -0.000) 0.000 12.740 ( 0.000 0.000 -0.000) 0.000 12.750 ( 0.000 0.000 0.000) 0.000 12.796 ( 0.000 0.000 0.000) 0.000 12.797 ( 0.000 0.000 0.000) 0.000 13.454 ( 0.000 0.000 -0.000) 0.000 13.485 ( 0.000 0.000 -0.000) 0.000 13.966 ( 0.000 0.000 -0.000) 0.000 14.078 ( 0.000 0.000 -0.000) 0.000 14.167 ( 0.000 0.000 0.000) 0.000 14.337 ( 0.000 0.000 -0.000) 0.000 14.405 ( 0.000 0.000 0.000) 0.000 15.078 ( 0.000 0.000 -0.000) 0.000 15.085 ( -0.000 -0.000 0.000) 0.000 15.096 ( 0.000 0.000 0.000) 0.000 15.104 ( -0.000 -0.000 -0.000) 0.000 15.219 ( -0.000 -0.000 -0.000) 0.000 16.647 ( 0.000 0.000 -0.000) 0.000 16.841 ( 0.000 0.000 -0.000) 0.000 16.924 ( 0.000 0.000 0.000) 0.000 16.987 ( 0.000 0.000 0.000) 0.000 17.181 ( 0.000 0.000 -0.000) 0.000 17.923 ( 0.000 0.000 -0.000) 0.000 18.716 ( 0.000 0.000 0.000) 0.000 18.758 ( 0.000 0.000 0.000) 0.000 18.828 ( 0.000 0.000 -0.000) 0.000 19.109 ( 0.000 0.000 -0.000) 0.000 20.653 ( 0.000 0.000 0.000) 0.000 20.838 ( 0.000 0.000 0.000) 0.000 21.325 ( 0.000 0.000 -0.000) 0.000 21.514 ( 0.000 0.000 -0.000) 0.000 24.087 ( 0.000 0.000 0.000) 0.000 24.291 ( 0.000 0.000 -0.000) 0.000 24.312 ( 0.000 0.000 0.000) 0.000 24.787 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 14 (8/69) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 14.238 24.662 0.000) 28.477 1.074 ( 17.034 29.504 0.000) 34.068 2.676 ( 3.225 5.586 0.000) 6.450 2.702 ( 38.107 66.003 0.000) 76.213 2.887 ( 7.539 13.059 0.000) 15.079 3.388 ( 11.535 19.980 0.000) 23.071 3.618 ( 17.027 29.491 0.000) 34.053 4.451 ( 1.777 3.077 0.000) 3.553 4.631 ( -1.378 -2.387 0.000) 2.756 4.908 ( 5.453 9.445 0.000) 10.906 5.000 ( 1.736 3.008 0.000) 3.473 5.201 ( 10.777 18.666 0.000) 21.554 5.234 ( -5.590 -9.682 0.000) 11.180 5.555 ( -0.058 -0.100 0.000) 0.116 5.751 ( 2.038 3.529 0.000) 4.075 5.990 ( 0.374 0.647 0.000) 0.747 6.256 ( -3.586 -6.211 0.000) 7.172 6.456 ( 2.079 3.600 0.000) 4.157 7.152 ( -3.253 -5.635 0.000) 6.507 7.211 ( -1.425 -2.469 0.000) 2.850 7.362 ( -1.438 -2.490 0.000) 2.875 7.687 ( -2.811 -4.869 0.000) 5.623 7.800 ( -2.882 -4.992 0.000) 5.764 7.886 ( 0.090 0.156 0.000) 0.180 8.151 ( 0.069 0.119 0.000) 0.137 8.169 ( -3.492 -6.048 0.000) 6.984 8.414 ( -6.998 -12.120 0.000) 13.995 8.449 ( -4.715 -8.166 0.000) 9.429 8.468 ( -9.361 -16.214 0.000) 18.722 8.706 ( -2.194 -3.800 0.000) 4.388 8.800 ( 0.597 1.034 0.000) 1.194 8.848 ( -0.174 -0.302 0.000) 0.348 8.854 ( -1.637 -2.835 0.000) 3.273 8.905 ( -6.076 -10.524 0.000) 12.152 9.099 ( 0.449 0.777 0.000) 0.897 9.365 ( 0.506 0.876 0.000) 1.011 9.844 ( -0.285 -0.493 0.000) 0.570 9.858 ( -0.687 -1.191 0.000) 1.375 9.973 ( -3.599 -6.234 0.000) 7.198 10.133 ( 1.137 1.969 0.000) 2.274 10.179 ( -0.500 -0.866 0.000) 1.000 10.298 ( -3.416 -5.916 0.000) 6.832 10.346 ( 0.329 0.570 0.000) 0.659 10.477 ( 1.803 3.123 0.000) 3.606 10.538 ( 3.099 5.367 0.000) 6.198 10.659 ( -0.710 -1.230 0.000) 1.421 11.000 ( -6.157 -10.665 0.000) 12.315 11.262 ( 2.143 3.711 0.000) 4.285 11.312 ( 7.639 13.232 0.000) 15.278 11.431 ( -7.465 -12.929 0.000) 14.930 11.455 ( -5.877 -10.179 0.000) 11.754 11.680 ( -6.002 -10.396 0.000) 12.005 11.871 ( -4.231 -7.328 0.000) 8.462 11.928 ( -0.603 -1.044 0.000) 1.205 12.133 ( -2.702 -4.680 0.000) 5.404 12.401 ( -1.459 -2.526 0.000) 2.917 12.848 ( -3.899 -6.752 0.000) 7.797 12.859 ( -2.683 -4.646 0.000) 5.365 13.053 ( -0.239 -0.414 0.000) 0.478 13.141 ( 4.174 7.230 0.000) 8.348 13.222 ( 3.294 5.706 0.000) 6.589 13.244 ( 6.633 11.489 0.000) 13.266 13.830 ( 1.031 1.786 0.000) 2.062 14.195 ( -4.343 -7.522 0.000) 8.685 14.321 ( -0.808 -1.400 0.000) 1.616 14.371 ( -4.487 -7.773 0.000) 8.975 14.702 ( 4.618 7.999 0.000) 9.236 15.089 ( -6.813 -11.801 0.000) 13.626 15.209 ( -7.780 -13.475 0.000) 15.560 15.447 ( -3.341 -5.787 0.000) 6.683 15.809 ( -0.908 -1.573 0.000) 1.816 15.908 ( 2.963 5.132 0.000) 5.926 15.979 ( 2.275 3.941 0.000) 4.550 16.090 ( 3.434 5.948 0.000) 6.868 16.712 ( 0.542 0.938 0.000) 1.083 16.743 ( 7.838 13.576 0.000) 15.676 17.251 ( 2.644 4.579 0.000) 5.287 17.365 ( 3.539 6.129 0.000) 7.077 18.153 ( -3.646 -6.315 0.000) 7.291 18.216 ( 8.383 14.519 0.000) 16.765 18.625 ( 1.472 2.550 0.000) 2.945 18.641 ( 2.294 3.974 0.000) 4.589 19.037 ( 17.256 29.888 0.000) 34.511 20.352 ( 3.455 5.984 0.000) 6.909 22.051 ( -4.603 -7.973 0.000) 9.206 22.163 ( -3.306 -5.727 0.000) 6.613 24.104 ( 1.469 2.545 0.000) 2.939 24.666 ( 0.133 0.230 0.000) 0.265 24.795 ( -3.320 -5.750 0.000) 6.639 24.915 ( -2.110 -3.654 0.000) 4.220 ======================= Grid point 15 (9/69) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 29.037 21.204 -6.601) 36.556 1.677 ( 20.923 30.055 0.674) 36.627 2.778 ( -0.244 15.706 14.534) 21.400 3.269 ( 21.955 6.779 -15.192) 27.546 3.646 ( 7.570 16.425 -7.981) 19.768 3.994 ( 38.804 43.980 0.282) 58.652 4.164 ( 16.488 16.751 11.986) 26.384 4.518 ( 2.671 6.068 10.700) 12.587 4.619 ( 3.375 1.550 -8.260) 9.057 5.006 ( -7.102 -3.109 17.691) 19.315 5.110 ( 6.266 4.647 -2.693) 8.253 5.141 ( 8.997 3.245 -16.744) 19.283 5.556 ( 7.489 10.098 -4.299) 13.286 5.575 ( 6.006 4.913 0.018) 7.760 5.759 ( -4.359 -1.233 2.274) 5.069 6.015 ( 1.550 1.422 -0.360) 2.134 6.190 ( 0.035 3.933 2.762) 4.806 6.527 ( 1.475 3.407 -1.806) 4.128 7.007 ( -6.529 -7.074 -0.811) 9.661 7.153 ( -1.921 -3.582 3.042) 5.077 7.332 ( -1.572 0.973 -1.247) 2.230 7.591 ( -4.329 -3.940 -0.621) 5.886 7.608 ( -8.852 -9.451 0.688) 12.968 7.886 ( -0.194 -1.591 3.149) 3.533 7.960 ( -12.788 -11.829 -4.315) 17.946 8.093 ( -2.066 -8.186 0.042) 8.443 8.216 ( -6.438 -8.766 -8.787) 13.982 8.250 ( -0.569 -5.349 9.268) 10.716 8.351 ( -0.894 -0.415 1.599) 1.878 8.598 ( -6.344 -3.802 0.201) 7.398 8.675 ( -6.488 -7.604 -1.952) 10.185 8.788 ( -1.076 -3.346 1.826) 3.961 8.796 ( -3.242 -1.311 -1.173) 3.689 8.936 ( 7.287 4.366 0.142) 8.496 9.120 ( 0.979 -0.110 -1.973) 2.205 9.354 ( -3.958 2.033 -1.560) 4.715 9.807 ( -4.736 -1.120 -0.125) 4.868 9.847 ( -2.666 -5.569 1.269) 6.304 9.870 ( 0.255 4.887 2.342) 5.425 10.100 ( -5.369 -0.921 -0.423) 5.464 10.159 ( 1.375 -7.334 -0.253) 7.466 10.218 ( 0.114 -2.348 -1.458) 2.766 10.371 ( -0.956 1.613 0.237) 1.890 10.498 ( -1.009 2.559 -0.188) 2.757 10.611 ( -0.515 -3.764 -2.719) 4.672 10.635 ( 2.307 0.640 1.047) 2.613 10.726 ( -10.811 -11.026 1.340) 15.500 11.092 ( -14.626 -10.509 5.290) 18.771 11.246 ( -3.567 -13.192 -6.944) 15.329 11.357 ( 4.831 -0.788 1.166) 5.032 11.462 ( -3.409 -13.668 1.091) 14.129 11.653 ( 8.228 13.198 0.276) 15.556 11.758 ( -4.919 0.896 2.745) 5.704 11.878 ( -7.045 5.738 -0.120) 9.087 12.044 ( -3.304 -3.338 -5.525) 7.251 12.383 ( 3.350 -4.155 3.072) 6.158 12.685 ( -6.326 -5.290 -0.300) 8.252 12.718 ( -4.871 -9.118 0.292) 10.342 13.075 ( 0.104 0.798 1.247) 1.484 13.161 ( -3.599 1.944 -0.404) 4.110 13.303 ( 0.531 2.610 -3.380) 4.303 13.486 ( 6.255 7.511 6.482) 11.729 13.900 ( 4.828 2.631 -1.758) 5.773 14.044 ( -2.423 -6.655 3.357) 7.838 14.254 ( 1.065 -12.312 -7.230) 14.317 14.316 ( 1.189 -1.543 1.882) 2.709 14.789 ( -7.124 7.138 -6.290) 11.886 14.892 ( -2.793 -6.442 2.789) 7.555 14.932 ( -8.663 -10.987 3.208) 14.354 15.345 ( -3.699 -3.179 -0.679) 4.924 15.754 ( -4.468 -1.583 0.532) 4.770 15.972 ( -5.471 5.284 -6.202) 9.814 16.047 ( 6.678 3.684 2.573) 8.049 16.290 ( 13.381 4.015 5.258) 14.926 16.736 ( 3.855 -3.055 -0.684) 4.966 16.987 ( 5.199 10.555 2.191) 11.969 17.340 ( 0.684 6.783 1.876) 7.071 17.466 ( 1.128 6.281 -2.109) 6.721 18.061 ( 4.160 -9.674 -4.606) 11.493 18.526 ( 8.509 16.406 2.669) 18.674 18.688 ( 2.968 4.623 -1.682) 5.745 18.739 ( 3.710 5.876 1.443) 7.098 19.619 ( 20.311 22.460 -1.161) 30.304 20.483 ( 5.005 6.109 1.003) 7.961 21.870 ( -7.385 -8.112 -0.314) 10.975 22.023 ( -5.917 -7.130 0.423) 9.275 24.139 ( 0.715 0.386 -1.346) 1.572 24.611 ( -4.482 -5.327 2.870) 7.530 24.691 ( -5.565 -0.445 3.067) 6.369 24.845 ( 0.109 -5.854 -4.536) 7.407 ======================= Grid point 16 (10/69) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 31.511 19.047 -6.990) 37.478 2.333 ( 22.698 29.478 1.414) 37.231 2.981 ( 3.255 20.505 8.874) 22.578 3.657 ( 15.295 6.168 -12.576) 20.740 3.802 ( 3.167 4.641 -11.386) 12.697 4.360 ( 1.116 1.686 17.868) 17.982 4.491 ( 1.971 -3.833 2.274) 4.874 4.689 ( -0.957 4.005 9.910) 10.732 4.980 ( 14.090 6.609 0.618) 15.575 5.095 ( 21.898 21.812 4.070) 31.174 5.288 ( 12.116 6.369 -3.443) 14.114 5.324 ( 7.290 3.754 -12.001) 14.535 5.515 ( -10.993 -7.827 -0.596) 13.507 5.674 ( 7.471 0.639 1.768) 7.704 5.916 ( 11.217 15.324 -4.107) 19.430 6.081 ( 4.774 2.985 0.884) 5.699 6.322 ( 1.551 15.060 4.974) 15.936 6.536 ( -4.093 2.105 -7.207) 8.551 6.819 ( -7.142 -6.890 -0.753) 9.952 7.087 ( -2.911 -2.064 4.310) 5.595 7.314 ( -1.991 2.308 -1.832) 3.556 7.357 ( -8.183 -10.540 2.439) 13.564 7.487 ( -4.554 -2.122 -0.300) 5.033 7.612 ( -14.315 -9.656 -2.535) 17.453 7.865 ( -1.382 -0.255 2.915) 3.236 7.970 ( -3.525 -10.079 3.030) 11.099 8.029 ( -6.754 -6.550 -5.620) 10.959 8.256 ( 0.712 1.782 5.260) 5.599 8.345 ( 0.576 -6.250 4.477) 7.709 8.458 ( -3.105 -2.217 0.906) 3.921 8.549 ( 2.574 -7.679 -6.944) 10.668 8.762 ( -1.354 3.892 -3.185) 5.208 8.786 ( 2.603 -0.058 0.224) 2.613 9.107 ( 4.487 3.482 -0.731) 5.726 9.142 ( 5.360 -1.712 -0.612) 5.660 9.280 ( -7.927 5.246 -2.218) 9.761 9.700 ( -3.072 -4.146 3.535) 6.255 9.763 ( -6.074 0.152 -0.055) 6.076 9.910 ( -6.461 5.516 0.504) 8.510 9.998 ( -2.658 0.077 1.113) 2.882 10.078 ( -2.420 -5.189 0.259) 5.731 10.202 ( -0.102 -4.289 -1.077) 4.423 10.335 ( -3.570 0.269 -0.835) 3.677 10.420 ( -8.645 -7.821 2.641) 11.953 10.517 ( -2.009 2.083 -0.004) 2.894 10.565 ( -0.466 -2.676 -6.007) 6.593 10.691 ( -0.787 -0.876 4.938) 5.077 10.789 ( -8.870 -6.638 0.856) 11.112 11.104 ( 3.122 -14.868 -5.429) 16.133 11.284 ( -0.908 -13.353 1.964) 13.527 11.419 ( 3.876 -1.661 2.122) 4.720 11.594 ( -7.821 -0.564 1.768) 8.038 11.757 ( -9.010 6.003 0.207) 10.828 11.924 ( -8.910 8.488 -3.229) 12.722 12.029 ( 9.113 2.305 -2.945) 9.850 12.398 ( 0.451 -4.016 3.882) 5.604 12.547 ( -0.177 -7.327 -0.489) 7.345 12.613 ( 0.309 -4.051 1.537) 4.344 13.046 ( -4.447 1.282 1.232) 4.789 13.090 ( -6.012 0.318 -0.156) 6.023 13.292 ( -1.999 -0.039 -5.230) 5.599 13.557 ( -0.430 -0.817 9.195) 9.241 13.988 ( 3.345 -5.070 1.707) 6.310 14.053 ( 9.063 -0.021 -2.342) 9.360 14.144 ( -0.105 -12.490 -8.561) 15.143 14.323 ( 1.533 -4.056 4.406) 6.182 14.678 ( -5.031 0.645 -7.429) 8.996 14.700 ( -4.823 -8.576 4.626) 10.872 14.883 ( -4.328 6.756 1.510) 8.164 15.271 ( -3.314 0.209 -2.168) 3.966 15.629 ( -7.343 -3.643 0.635) 8.222 15.873 ( -12.902 6.287 -3.271) 14.720 16.220 ( 11.442 -0.916 -0.524) 11.491 16.563 ( 11.018 8.061 7.747) 15.696 16.783 ( 8.345 -8.031 -1.572) 11.688 17.086 ( -0.556 2.545 9.020) 9.388 17.375 ( -6.517 10.045 2.645) 12.262 17.529 ( 2.690 1.864 -11.037) 11.511 18.147 ( 16.553 -9.859 -3.892) 19.655 18.681 ( 2.208 1.474 0.053) 2.655 18.841 ( 1.432 10.927 0.412) 11.028 18.935 ( 6.265 20.363 2.548) 21.457 20.104 ( 16.468 14.320 -2.161) 21.930 20.625 ( 5.029 5.742 1.427) 7.765 21.666 ( -8.264 -6.568 -0.785) 10.585 21.839 ( -7.197 -7.940 1.108) 10.773 24.133 ( -0.610 -1.647 -3.119) 3.580 24.466 ( -4.783 -6.983 3.381) 9.114 24.567 ( -8.219 -0.931 3.238) 8.883 24.808 ( 1.344 -5.368 -3.452) 6.522 ======================= Grid point 17 (11/69) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 28.255 15.978 -7.459) 33.306 2.933 ( 16.865 22.136 5.956) 28.459 3.259 ( 3.547 24.893 -1.570) 25.193 3.815 ( 3.882 0.455 -8.557) 9.408 3.963 ( 6.752 6.181 -7.353) 11.742 4.375 ( 0.258 1.234 12.329) 12.393 4.399 ( -3.325 -7.987 6.134) 10.605 4.640 ( -6.256 0.830 6.962) 9.397 5.118 ( -8.139 -7.984 5.624) 12.713 5.275 ( 5.815 -1.978 -5.253) 8.082 5.390 ( 3.273 4.532 -8.116) 9.855 5.478 ( 13.674 1.043 4.012) 14.288 5.672 ( 8.886 0.012 -2.184) 9.151 5.776 ( 5.408 -0.883 -0.283) 5.487 6.218 ( 10.015 7.150 3.992) 12.937 6.318 ( 10.944 13.381 -1.095) 17.321 6.370 ( -8.788 3.730 -5.899) 11.222 6.533 ( -2.075 14.535 -4.306) 15.301 6.674 ( -2.575 -3.795 0.412) 4.605 7.013 ( -3.553 -0.245 0.506) 3.597 7.126 ( -12.255 -1.012 0.594) 12.311 7.341 ( -5.604 -3.394 1.765) 6.785 7.365 ( 1.107 0.934 1.001) 1.761 7.425 ( -1.759 0.394 -1.038) 2.081 7.740 ( -10.416 -7.989 1.270) 13.188 7.810 ( -5.717 -2.651 6.653) 9.164 7.913 ( 1.551 -7.681 -4.195) 8.889 8.226 ( -2.471 -6.245 3.173) 7.428 8.279 ( 2.462 -3.851 1.905) 4.952 8.478 ( 5.587 -4.930 0.843) 7.498 8.637 ( 9.197 0.574 -10.601) 14.046 8.819 ( 3.145 0.805 -0.217) 3.254 8.842 ( 0.808 6.224 1.642) 6.487 9.121 ( 1.072 -3.287 -0.588) 3.507 9.217 ( -5.592 13.218 -2.441) 14.558 9.290 ( 4.468 2.998 0.987) 5.471 9.590 ( -10.142 -3.744 5.939) 12.335 9.664 ( -3.565 3.216 -2.116) 5.247 9.812 ( -5.972 1.953 0.019) 6.283 9.935 ( -3.405 -3.114 -0.599) 4.653 10.030 ( -3.386 0.798 -0.854) 3.582 10.140 ( -2.564 -1.566 1.543) 3.378 10.221 ( -3.963 -3.167 -2.065) 5.477 10.343 ( -3.176 2.994 3.274) 5.456 10.444 ( -4.972 -0.012 1.200) 5.115 10.529 ( -6.718 -3.219 -0.069) 7.450 10.587 ( 1.298 -1.529 -1.940) 2.790 10.764 ( 3.264 -0.298 -0.033) 3.277 11.057 ( 7.818 -14.981 -3.480) 17.253 11.181 ( 1.471 -10.332 2.053) 10.637 11.462 ( 2.789 -0.554 2.405) 3.724 11.492 ( -4.008 0.971 0.958) 4.234 11.674 ( -6.106 3.962 -0.307) 7.285 11.802 ( -12.374 5.953 -4.835) 14.557 12.148 ( 4.144 -2.111 -1.660) 4.938 12.305 ( -3.247 -5.525 3.076) 7.108 12.564 ( 5.417 -2.750 0.623) 6.107 12.625 ( 4.190 -3.144 1.552) 5.464 12.965 ( -6.511 1.260 0.383) 6.643 12.972 ( -6.988 -1.776 0.866) 7.262 13.295 ( 4.400 -1.783 -5.392) 7.184 13.506 ( -1.794 -4.158 6.221) 7.694 13.947 ( 0.248 -12.507 3.609) 13.020 14.036 ( 4.232 -9.789 -4.626) 11.625 14.243 ( 9.688 1.623 -4.222) 10.692 14.248 ( -2.838 -7.140 2.429) 8.058 14.517 ( -8.627 -1.035 0.125) 8.690 14.777 ( 7.999 6.632 -0.432) 10.400 14.889 ( -1.970 7.831 -0.466) 8.088 15.239 ( -2.778 3.312 -2.785) 5.142 15.448 ( -8.940 -5.674 1.224) 10.659 15.664 ( -18.037 4.081 -1.504) 18.554 16.389 ( 11.835 -5.087 -1.350) 12.953 16.757 ( 2.913 7.349 3.316) 8.573 16.874 ( 9.530 -4.033 2.562) 10.660 17.051 ( -3.520 -0.915 10.984) 11.571 17.331 ( -8.422 8.046 1.479) 11.741 17.609 ( 10.194 -7.991 -14.547) 19.478 18.351 ( 16.885 -9.030 -1.377) 19.198 18.709 ( 0.842 -0.194 0.682) 1.101 18.950 ( -1.543 11.918 0.992) 12.058 19.217 ( -0.245 25.356 1.413) 25.396 20.441 ( 11.157 8.178 -2.540) 14.065 20.754 ( 4.041 5.135 1.476) 6.699 21.482 ( -7.442 -4.030 -1.092) 8.533 21.646 ( -6.429 -7.695 1.592) 10.153 24.098 ( -0.775 -2.586 -3.623) 4.519 24.338 ( -2.751 -5.911 3.117) 7.226 24.425 ( -6.647 -1.866 2.158) 7.233 24.776 ( 0.917 -5.110 -1.644) 5.445 ======================= Grid point 18 (12/69) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( 6.856 6.660 -2.816) 9.964 3.318 ( 13.843 14.039 4.666) 20.261 3.508 ( -3.827 17.612 -6.280) 19.086 3.886 ( 2.255 2.446 -3.966) 5.177 4.060 ( 0.938 1.116 0.063) 1.459 4.290 ( -1.358 -4.385 3.003) 5.486 4.396 ( -1.398 3.808 2.183) 4.607 4.491 ( -9.307 1.331 5.902) 11.101 4.951 ( -3.472 -2.084 2.055) 4.541 5.314 ( 5.579 -9.867 -2.045) 11.518 5.435 ( 1.147 1.055 -6.598) 6.780 5.619 ( -0.527 -2.787 1.902) 3.415 5.814 ( 15.425 -4.480 7.941) 17.918 5.825 ( 3.413 -2.034 -0.922) 4.079 6.170 ( -9.371 -3.781 -6.997) 12.291 6.400 ( 2.909 1.065 2.986) 4.302 6.479 ( -2.459 9.026 -2.949) 9.809 6.668 ( 2.942 -2.480 -0.432) 3.872 6.687 ( -1.387 17.164 -1.743) 17.308 6.946 ( -10.114 4.904 -0.118) 11.241 6.992 ( -1.781 3.827 0.276) 4.230 7.277 ( -2.198 4.986 1.848) 5.754 7.392 ( 0.895 -3.479 -1.197) 3.787 7.445 ( -0.382 4.526 0.461) 4.566 7.551 ( -2.512 -5.755 0.674) 6.315 7.659 ( -6.123 -2.261 5.431) 8.491 7.926 ( 7.220 -8.615 -4.799) 12.222 8.144 ( -0.592 -4.336 3.056) 5.338 8.298 ( 6.049 -8.787 0.165) 10.669 8.505 ( 4.809 -7.333 0.287) 8.774 8.748 ( 0.653 2.147 -6.934) 7.288 8.855 ( 3.832 -1.389 1.920) 4.505 8.919 ( 0.178 3.627 0.710) 3.700 9.151 ( 1.835 5.979 0.437) 6.269 9.257 ( -8.663 11.810 0.276) 14.649 9.370 ( -2.335 8.105 2.158) 8.706 9.412 ( -2.384 -1.454 -1.362) 3.107 9.603 ( -6.878 0.644 0.549) 6.930 9.759 ( -2.961 2.151 0.180) 3.664 9.901 ( 1.835 -2.965 -1.301) 3.722 9.978 ( -1.822 2.856 -0.029) 3.388 10.115 ( -1.910 2.120 0.501) 2.897 10.179 ( 0.285 -0.241 -3.663) 3.682 10.257 ( -7.138 2.005 4.720) 8.789 10.408 ( -4.778 1.060 0.896) 4.976 10.438 ( -1.311 4.212 -0.159) 4.414 10.605 ( 3.411 -4.598 -0.982) 5.808 10.825 ( 2.389 1.139 -0.479) 2.689 11.062 ( 8.834 -12.770 -1.228) 15.576 11.112 ( 2.456 -11.032 0.899) 11.337 11.477 ( 0.957 -0.187 0.841) 1.288 11.511 ( -1.436 8.235 1.801) 8.552 11.629 ( -2.624 0.693 -1.677) 3.190 11.654 ( -9.338 4.021 -1.792) 10.323 12.158 ( 2.302 -4.890 -0.857) 5.472 12.225 ( 0.144 -4.998 1.549) 5.235 12.646 ( 6.670 -2.532 -1.180) 7.231 12.676 ( 4.749 -2.719 1.200) 5.602 12.842 ( -5.645 -1.466 1.522) 6.027 12.869 ( -5.133 0.401 -0.197) 5.153 13.379 ( 7.571 -4.952 -3.287) 9.626 13.441 ( -0.279 -4.638 2.286) 5.178 13.835 ( 2.550 -12.242 1.507) 12.595 14.049 ( 6.133 -7.121 1.128) 9.466 14.129 ( -2.462 -5.877 -1.256) 6.495 14.374 ( 4.658 -1.206 -2.811) 5.572 14.405 ( -5.974 4.015 1.725) 7.401 14.993 ( 7.511 7.706 -1.339) 10.844 15.027 ( 7.900 11.462 -0.807) 13.944 15.205 ( -7.794 -2.989 1.850) 8.550 15.255 ( -6.588 3.053 -1.255) 7.369 15.380 ( -18.176 2.720 -0.035) 18.379 16.497 ( 9.877 -10.967 -0.741) 14.778 16.849 ( 2.520 3.801 -1.351) 4.756 16.961 ( -0.783 -0.315 4.831) 4.904 16.980 ( -2.415 2.874 3.282) 4.987 17.277 ( -5.819 6.525 0.692) 8.771 17.689 ( 13.054 -17.452 -6.240) 22.670 18.492 ( 11.178 -11.357 -0.507) 15.943 18.712 ( -0.141 0.168 0.707) 0.740 19.012 ( -5.207 12.472 0.502) 13.525 19.386 ( -8.838 24.656 0.415) 26.196 20.627 ( 4.364 3.015 -1.334) 5.469 20.845 ( 1.277 3.556 0.775) 3.857 21.359 ( -3.926 -0.715 -0.649) 4.043 21.505 ( -2.008 -5.301 0.936) 5.745 24.068 ( 0.425 -2.531 -1.625) 3.038 24.270 ( 0.282 -3.950 1.115) 4.114 24.330 ( -2.706 -0.864 0.988) 3.007 24.749 ( 1.712 -4.686 -0.481) 5.012 ======================= Grid point 27 (13/69) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 18.259 31.626 0.000) 36.519 2.286 ( 19.036 32.972 0.000) 38.072 3.096 ( 9.972 17.272 0.000) 19.944 3.521 ( 10.086 17.469 0.000) 20.172 3.802 ( 1.489 2.579 0.000) 2.978 4.356 ( 1.593 2.760 0.000) 3.187 4.449 ( 1.405 2.433 0.000) 2.809 4.690 ( 4.105 7.110 0.000) 8.210 4.915 ( -0.229 -0.397 0.000) 0.458 5.017 ( 19.691 34.107 0.000) 39.383 5.208 ( 4.628 8.016 0.000) 9.256 5.273 ( 4.202 7.277 0.000) 8.403 5.571 ( -6.034 -10.452 0.000) 12.069 5.614 ( 2.027 3.512 0.000) 4.055 5.907 ( 9.437 16.345 0.000) 18.873 6.054 ( 1.599 2.770 0.000) 3.199 6.390 ( 8.300 14.376 0.000) 16.600 6.588 ( 1.221 2.115 0.000) 2.442 6.853 ( -4.879 -8.450 0.000) 9.758 7.080 ( -1.824 -3.158 0.000) 3.647 7.359 ( -3.698 -6.405 0.000) 7.396 7.381 ( -2.985 -5.170 0.000) 5.970 7.513 ( -2.404 -4.165 0.000) 4.809 7.691 ( -8.577 -14.856 0.000) 17.154 7.878 ( 0.062 0.108 0.000) 0.125 7.914 ( -5.207 -9.018 0.000) 10.414 8.124 ( -3.053 -5.288 0.000) 6.106 8.199 ( 1.610 2.789 0.000) 3.220 8.297 ( -2.520 -4.364 0.000) 5.040 8.488 ( -5.766 -9.987 0.000) 11.532 8.495 ( -4.649 -8.052 0.000) 9.297 8.773 ( 2.063 3.573 0.000) 4.126 8.793 ( 0.695 1.204 0.000) 1.390 9.075 ( 1.908 3.304 0.000) 3.815 9.089 ( 1.611 2.790 0.000) 3.222 9.383 ( 0.554 0.960 0.000) 1.109 9.690 ( -3.912 -6.776 0.000) 7.825 9.843 ( 0.243 0.421 0.000) 0.486 9.997 ( 4.146 7.181 0.000) 8.292 10.028 ( -2.355 -4.080 0.000) 4.711 10.104 ( -1.369 -2.371 0.000) 2.738 10.150 ( -2.056 -3.562 0.000) 4.113 10.356 ( -1.371 -2.374 0.000) 2.741 10.451 ( -5.602 -9.703 0.000) 11.204 10.544 ( -1.289 -2.232 0.000) 2.577 10.568 ( -0.805 -1.395 0.000) 1.611 10.664 ( 0.696 1.205 0.000) 1.391 10.879 ( -6.481 -11.226 0.000) 12.962 10.985 ( -6.855 -11.874 0.000) 13.711 11.214 ( -6.650 -11.519 0.000) 13.301 11.356 ( 0.229 0.396 0.000) 0.458 11.675 ( -3.034 -5.256 0.000) 6.069 11.903 ( 2.117 3.666 0.000) 4.233 11.920 ( 0.096 0.166 0.000) 0.192 12.116 ( 5.945 10.297 0.000) 11.890 12.305 ( -1.429 -2.475 0.000) 2.858 12.513 ( -5.439 -9.420 0.000) 10.878 12.586 ( -3.496 -6.055 0.000) 6.992 13.080 ( -0.847 -1.468 0.000) 1.695 13.163 ( -1.168 -2.024 0.000) 2.337 13.331 ( -0.394 -0.683 0.000) 0.789 13.555 ( -0.583 -1.010 0.000) 1.166 13.914 ( -2.905 -5.032 0.000) 5.810 13.937 ( -0.017 -0.029 0.000) 0.034 14.113 ( -1.562 -2.705 0.000) 3.124 14.280 ( -0.944 -1.635 0.000) 1.888 14.669 ( -4.395 -7.612 0.000) 8.789 14.748 ( -4.085 -7.075 0.000) 8.169 14.958 ( 1.940 3.360 0.000) 3.880 15.300 ( -1.084 -1.878 0.000) 2.168 15.736 ( -1.360 -2.356 0.000) 2.721 15.971 ( -1.027 -1.780 0.000) 2.055 16.176 ( 2.543 4.405 0.000) 5.087 16.393 ( 5.036 8.723 0.000) 10.073 16.705 ( 0.418 0.725 0.000) 0.837 17.098 ( 1.042 1.804 0.000) 2.083 17.524 ( -0.350 -0.607 0.000) 0.701 17.554 ( 6.634 11.490 0.000) 13.268 17.892 ( -2.959 -5.125 0.000) 5.918 18.668 ( 1.316 2.279 0.000) 2.632 18.879 ( 4.931 8.541 0.000) 9.862 18.991 ( 12.665 21.937 0.000) 25.331 20.030 ( 11.347 19.653 0.000) 22.694 20.611 ( 4.066 7.042 0.000) 8.132 21.706 ( -5.004 -8.667 0.000) 10.008 21.860 ( -5.570 -9.648 0.000) 11.141 24.129 ( -0.854 -1.480 0.000) 1.708 24.472 ( -4.640 -8.036 0.000) 9.279 24.701 ( -0.749 -1.297 0.000) 1.498 24.701 ( -4.149 -7.187 0.000) 8.299 ======================= Grid point 28 (14/69) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 22.564 25.934 -3.400) 34.544 2.907 ( 17.457 29.919 2.563) 34.734 3.449 ( 6.237 26.665 1.159) 27.409 3.746 ( 3.552 -0.454 -4.980) 6.134 3.926 ( 8.281 12.518 -3.279) 15.363 4.344 ( -0.844 -3.862 5.448) 6.731 4.412 ( -2.544 -4.024 1.419) 4.968 4.672 ( -1.527 -4.812 3.749) 6.288 5.097 ( 8.424 6.088 -0.677) 10.416 5.176 ( 0.963 -3.600 4.277) 5.673 5.350 ( -4.699 -8.632 0.445) 9.838 5.389 ( 2.872 4.886 -5.286) 7.750 5.625 ( 3.612 10.474 -5.067) 12.183 5.698 ( 8.889 6.903 2.109) 11.450 6.127 ( 5.431 2.160 4.242) 7.222 6.279 ( 12.162 19.365 -0.793) 22.881 6.556 ( -5.978 1.877 -5.367) 8.250 6.638 ( 0.372 8.285 -2.682) 8.716 6.719 ( -1.928 1.162 1.739) 2.845 7.044 ( -1.736 -1.646 0.768) 2.513 7.180 ( -0.554 -7.042 3.801) 8.021 7.334 ( -3.319 -6.055 -1.016) 6.979 7.452 ( -7.472 -4.219 0.022) 8.581 7.463 ( -0.937 1.032 -1.488) 2.039 7.763 ( -2.702 -8.448 0.002) 8.869 7.875 ( -2.744 0.266 5.287) 5.963 7.938 ( -10.551 -5.039 -3.490) 12.202 8.189 ( -2.082 -6.966 1.047) 7.346 8.283 ( -4.347 -2.360 8.681) 9.991 8.369 ( 1.213 -4.803 -1.595) 5.204 8.430 ( 11.784 -0.732 -9.389) 15.085 8.840 ( -0.132 4.668 0.107) 4.672 8.866 ( 2.796 4.847 0.667) 5.635 9.047 ( 1.992 -3.074 -1.206) 3.856 9.226 ( 4.051 3.112 0.886) 5.185 9.421 ( -1.897 11.067 -3.096) 11.648 9.621 ( 1.554 -1.523 5.090) 5.535 9.805 ( -6.550 1.497 -2.394) 7.132 9.948 ( -5.970 -1.344 1.780) 6.373 9.983 ( -5.890 -0.451 -0.468) 5.925 10.077 ( -1.655 -1.423 -2.373) 3.224 10.155 ( 2.611 4.145 2.205) 5.373 10.260 ( -5.365 -5.749 -0.395) 7.873 10.363 ( 2.582 0.157 0.399) 2.617 10.514 ( -3.041 -3.609 0.079) 4.720 10.533 ( -0.753 0.245 -2.024) 2.173 10.669 ( -4.697 -0.954 6.022) 7.696 10.697 ( -1.890 -3.118 0.149) 3.649 10.823 ( 1.801 -13.029 -6.072) 14.487 11.056 ( 0.671 -10.022 0.432) 10.054 11.374 ( 3.032 -2.098 1.913) 4.154 11.556 ( -4.274 -3.823 0.866) 5.799 11.842 ( -8.118 2.600 -0.573) 8.544 11.941 ( -0.282 -2.293 -3.879) 4.515 12.188 ( -6.749 6.616 0.147) 9.452 12.299 ( -2.612 -5.782 1.925) 6.630 12.434 ( 7.290 -2.815 1.088) 7.890 12.508 ( 2.338 -5.909 -0.002) 6.355 13.014 ( -3.071 -4.160 0.837) 5.238 13.087 ( -5.382 -1.894 -0.362) 5.717 13.276 ( -3.361 -1.591 -2.904) 4.718 13.478 ( -2.085 -7.517 3.453) 8.531 13.835 ( -1.552 -8.549 4.613) 9.837 13.880 ( 1.825 -9.612 -4.323) 10.696 14.121 ( 2.800 -1.311 -1.261) 3.338 14.245 ( -1.377 -2.526 0.363) 2.900 14.599 ( -2.104 -1.334 0.216) 2.501 14.726 ( 5.242 7.391 -2.292) 9.347 14.977 ( -1.634 1.749 1.506) 2.828 15.284 ( -0.207 1.091 -0.838) 1.391 15.611 ( -12.022 1.183 -1.593) 12.185 15.935 ( -4.177 -2.193 -2.631) 5.402 16.169 ( 0.437 -4.309 3.006) 5.272 16.617 ( 13.980 -1.667 1.255) 14.135 16.781 ( 4.318 8.365 2.606) 9.768 17.090 ( -1.876 -1.105 5.694) 6.096 17.460 ( -1.113 -7.549 -7.532) 10.722 17.606 ( -12.443 12.199 -1.009) 17.455 17.982 ( 17.524 -7.753 0.126) 19.163 18.709 ( 1.123 2.596 0.103) 2.830 19.047 ( 3.341 11.093 0.521) 11.597 19.403 ( 8.419 25.128 0.265) 26.502 20.359 ( 9.777 12.165 -1.007) 15.640 20.746 ( 3.963 6.585 0.632) 7.711 21.547 ( -5.552 -5.716 -0.458) 7.982 21.664 ( -6.188 -10.004 0.621) 11.780 24.088 ( -1.311 -2.806 -1.390) 3.395 24.324 ( -3.699 -7.571 1.488) 8.556 24.527 ( -8.097 -3.698 1.247) 8.988 24.688 ( 1.976 -6.430 -1.322) 6.855 ======================= Grid point 29 (15/69) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 19.397 19.692 -5.330) 28.150 3.343 ( 3.571 19.932 5.707) 21.038 3.736 ( 2.180 18.084 -6.828) 19.453 3.846 ( 3.564 6.261 -2.450) 7.610 4.104 ( -0.708 6.934 3.508) 7.803 4.257 ( -0.438 -5.315 3.697) 6.489 4.419 ( 4.045 3.488 -0.790) 5.400 4.600 ( -2.703 -2.806 4.932) 6.286 5.005 ( -6.168 -4.600 3.067) 8.283 5.180 ( -1.387 -6.886 -4.455) 8.318 5.355 ( 6.368 -7.756 -0.259) 10.039 5.516 ( 4.141 -1.091 -0.849) 4.366 5.631 ( 4.125 5.632 3.570) 7.840 5.849 ( -0.459 5.125 -4.333) 6.727 6.295 ( 10.369 -0.117 6.922) 12.468 6.346 ( -11.751 -0.002 -3.674) 12.312 6.561 ( -2.776 -2.028 -1.673) 3.823 6.647 ( 1.978 11.500 -6.667) 13.439 6.818 ( 2.522 7.134 -0.684) 7.598 7.001 ( -0.560 0.895 0.119) 1.062 7.156 ( -3.569 -1.025 4.429) 5.780 7.231 ( 3.665 -9.277 3.601) 10.604 7.333 ( -2.490 -5.248 -3.137) 6.602 7.519 ( 0.848 8.548 -1.299) 8.688 7.630 ( -8.310 0.860 0.421) 8.365 7.760 ( -3.846 -2.904 -2.370) 5.370 7.803 ( -5.246 -0.751 6.717) 8.556 8.103 ( -1.203 -4.789 0.374) 4.952 8.206 ( -0.247 -2.323 2.101) 3.142 8.367 ( 4.138 -6.900 -1.462) 8.177 8.679 ( 11.055 4.764 -10.082) 15.702 8.829 ( -2.387 0.518 5.207) 5.751 8.938 ( 0.982 1.364 -1.232) 2.084 9.134 ( 6.334 6.455 0.040) 9.044 9.276 ( 4.833 -3.798 2.534) 6.649 9.500 ( -7.079 9.254 -1.779) 11.786 9.608 ( -7.226 7.342 4.481) 11.234 9.733 ( -3.801 1.819 -3.401) 5.415 9.849 ( -4.288 3.206 0.709) 5.401 9.924 ( -3.070 2.868 0.185) 4.205 10.013 ( -1.185 -0.357 -2.053) 2.397 10.171 ( -3.065 1.135 -0.761) 3.356 10.223 ( -1.949 6.031 1.710) 6.565 10.389 ( -5.815 1.295 2.270) 6.375 10.444 ( 2.832 -3.238 0.218) 4.307 10.503 ( -2.543 2.205 -1.447) 3.664 10.558 ( -3.575 -0.618 3.291) 4.898 10.739 ( 7.215 -2.390 -0.332) 7.608 10.787 ( 6.792 -11.439 -4.078) 13.915 10.999 ( 1.284 -8.823 0.463) 8.928 11.411 ( 3.502 -2.044 1.742) 4.413 11.512 ( 3.319 -1.790 0.816) 3.858 11.721 ( -7.414 0.770 -1.481) 7.600 11.839 ( -8.598 -3.018 -3.570) 9.787 12.123 ( -2.881 -0.967 0.262) 3.051 12.179 ( -2.389 -7.305 2.135) 7.977 12.523 ( 5.690 -1.036 0.612) 5.816 12.553 ( 5.939 -3.140 0.538) 6.739 12.917 ( -4.519 -2.519 0.972) 5.264 12.964 ( -6.376 -2.147 -0.353) 6.737 13.236 ( 1.996 -3.568 -3.721) 5.528 13.375 ( -0.368 -8.647 2.280) 8.950 13.708 ( -0.817 -9.973 2.653) 10.352 13.860 ( 5.870 -9.420 0.003) 11.099 14.084 ( -1.218 -7.017 -0.185) 7.124 14.253 ( 5.031 -3.727 -2.352) 6.688 14.565 ( -5.066 6.607 -0.508) 8.342 14.950 ( 5.207 6.440 1.826) 8.480 15.024 ( 7.000 10.331 -0.183) 12.480 15.281 ( -3.617 0.264 -1.610) 3.968 15.423 ( -9.877 3.397 -2.536) 10.748 15.736 ( -18.233 2.500 0.214) 18.405 16.172 ( 10.931 -16.511 1.764) 19.880 16.771 ( 8.164 -1.832 -3.403) 9.033 16.993 ( 5.860 8.303 11.774) 15.553 17.031 ( -1.872 0.656 4.524) 4.939 17.373 ( 2.185 -12.095 -10.810) 16.369 17.488 ( -11.876 7.736 -1.622) 14.266 18.173 ( 14.524 -10.607 -0.189) 17.986 18.751 ( -0.363 4.431 0.428) 4.467 19.183 ( -0.729 11.822 0.517) 11.856 19.717 ( -0.451 24.855 0.152) 24.860 20.586 ( 6.038 7.214 -1.289) 9.496 20.859 ( 2.382 5.398 0.828) 5.958 21.418 ( -4.685 -2.806 -0.650) 5.500 21.484 ( -3.810 -8.845 0.857) 9.669 24.041 ( -0.698 -3.033 -1.259) 3.358 24.218 ( -0.618 -6.548 1.119) 6.672 24.382 ( -5.248 -2.225 0.728) 5.746 24.653 ( 2.186 -7.342 -0.565) 7.682 ======================= Grid point 30 (16/69) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( -6.118 10.596 -0.000) 12.235 3.509 ( -1.948 3.374 0.000) 3.896 3.757 ( -6.136 10.628 -0.000) 12.272 3.958 ( -2.291 3.969 -0.000) 4.583 4.076 ( -0.932 1.614 0.000) 1.864 4.260 ( 0.394 -0.683 0.000) 0.789 4.525 ( -1.446 2.505 -0.000) 2.892 4.550 ( -5.858 10.147 -0.000) 11.716 4.940 ( -0.811 1.405 0.000) 1.622 5.079 ( 6.854 -11.871 -0.000) 13.708 5.419 ( 6.745 -11.682 0.000) 13.489 5.425 ( 1.864 -3.228 -0.000) 3.727 5.839 ( -2.473 4.284 -0.000) 4.947 5.858 ( -2.147 3.718 0.000) 4.293 6.145 ( -1.395 2.416 0.000) 2.790 6.418 ( 0.039 -0.067 -0.000) 0.077 6.588 ( 2.608 -4.517 -0.000) 5.216 6.602 ( -1.851 3.206 0.000) 3.701 6.959 ( -4.442 7.694 -0.000) 8.885 7.016 ( 2.084 -3.609 -0.000) 4.168 7.046 ( -2.744 4.753 0.000) 5.488 7.258 ( 4.685 -8.115 -0.000) 9.371 7.263 ( 5.484 -9.499 0.000) 10.968 7.563 ( -5.006 8.670 0.000) 10.012 7.615 ( -7.128 12.346 0.000) 14.256 7.651 ( -1.626 2.817 -0.000) 3.252 7.783 ( 2.250 -3.898 -0.000) 4.501 8.067 ( 1.326 -2.297 0.000) 2.652 8.200 ( 1.119 -1.938 0.000) 2.238 8.367 ( 4.233 -7.332 0.000) 8.466 8.775 ( -0.569 0.985 -0.000) 1.137 8.842 ( -0.246 0.426 0.000) 0.492 8.947 ( -0.025 0.043 -0.000) 0.050 9.253 ( -0.820 1.421 -0.000) 1.641 9.349 ( -2.437 4.221 0.000) 4.874 9.410 ( -0.131 0.227 -0.000) 0.263 9.573 ( -0.508 0.880 0.000) 1.016 9.661 ( -4.899 8.485 0.000) 9.798 9.836 ( -4.255 7.370 0.000) 8.510 9.932 ( -5.162 8.941 0.000) 10.324 10.055 ( 0.255 -0.441 -0.000) 0.509 10.178 ( -3.293 5.704 -0.000) 6.586 10.179 ( -1.979 3.427 0.000) 3.957 10.330 ( -2.421 4.194 0.000) 4.843 10.438 ( 0.788 -1.366 -0.000) 1.577 10.525 ( -2.054 3.558 0.000) 4.108 10.532 ( -0.124 0.214 -0.000) 0.248 10.767 ( 4.276 -7.407 -0.000) 8.553 10.890 ( 5.303 -9.186 -0.000) 10.607 10.895 ( 3.783 -6.552 0.000) 7.566 11.442 ( 1.566 -2.713 0.000) 3.132 11.583 ( 3.604 -6.242 -0.000) 7.208 11.655 ( -0.344 0.596 -0.000) 0.688 11.686 ( -2.983 5.166 0.000) 5.966 12.093 ( 0.953 -1.650 0.000) 1.906 12.116 ( 3.236 -5.605 -0.000) 6.472 12.584 ( 1.795 -3.109 -0.000) 3.590 12.597 ( 2.678 -4.638 0.000) 5.355 12.851 ( -1.468 2.543 -0.000) 2.937 12.884 ( -0.694 1.203 0.000) 1.389 13.248 ( 4.023 -6.969 -0.000) 8.047 13.323 ( 3.643 -6.310 0.000) 7.286 13.650 ( 3.853 -6.674 0.000) 7.707 13.871 ( 6.088 -10.545 0.000) 12.176 14.028 ( 2.357 -4.083 0.000) 4.715 14.281 ( 4.553 -7.886 0.000) 9.105 14.552 ( -6.172 10.690 -0.000) 12.344 15.051 ( 2.081 -3.604 0.000) 4.162 15.170 ( -2.333 4.041 -0.000) 4.666 15.231 ( -4.672 8.091 0.000) 9.343 15.425 ( -3.264 5.654 0.000) 6.529 15.482 ( -7.374 12.773 -0.000) 14.749 16.186 ( 11.281 -19.540 -0.000) 22.562 16.858 ( 3.559 -6.165 0.000) 7.118 16.949 ( -2.121 3.674 -0.000) 4.243 17.164 ( -6.898 11.947 0.000) 13.795 17.305 ( 10.271 -17.790 -0.000) 20.542 17.413 ( -4.324 7.490 0.000) 8.649 18.243 ( 8.462 -14.657 -0.000) 16.924 18.772 ( -2.615 4.530 -0.000) 5.231 19.235 ( -5.832 10.102 0.000) 11.664 19.837 ( -11.791 20.423 -0.000) 23.582 20.677 ( -1.474 2.553 -0.000) 2.948 20.909 ( -1.512 2.619 -0.000) 3.024 21.360 ( -0.224 0.389 -0.000) 0.449 21.403 ( 2.834 -4.909 0.000) 5.669 24.018 ( 1.282 -2.221 0.000) 2.565 24.182 ( 2.891 -5.007 0.000) 5.781 24.326 ( -0.390 0.676 0.000) 0.780 24.634 ( 3.953 -6.848 -0.000) 7.907 ======================= Grid point 41 (17/69) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( 14.769 25.580 0.000) 29.537 3.455 ( 14.866 25.749 0.000) 29.733 3.707 ( -0.544 -0.942 0.000) 1.087 3.942 ( 12.074 20.912 0.000) 24.147 4.143 ( 1.012 1.753 0.000) 2.024 4.260 ( -2.431 -4.210 0.000) 4.861 4.343 ( 2.028 3.512 0.000) 4.055 4.591 ( -0.732 -1.268 0.000) 1.464 5.038 ( -5.158 -8.934 0.000) 10.317 5.191 ( 0.138 0.239 0.000) 0.275 5.227 ( -1.842 -3.191 0.000) 3.685 5.496 ( 1.096 1.899 0.000) 2.193 5.635 ( 1.531 2.652 0.000) 3.062 5.923 ( 5.486 9.503 0.000) 10.973 6.138 ( 0.432 0.748 0.000) 0.864 6.470 ( -3.546 -6.143 0.000) 7.093 6.576 ( 4.426 7.666 0.000) 8.852 6.711 ( 0.336 0.583 0.000) 0.673 6.816 ( 2.188 3.789 0.000) 4.376 7.054 ( 0.388 0.671 0.000) 0.775 7.071 ( -7.598 -13.159 0.000) 15.195 7.113 ( -1.217 -2.107 0.000) 2.433 7.384 ( -3.682 -6.377 0.000) 7.364 7.554 ( 4.674 8.095 0.000) 9.348 7.678 ( -0.172 -0.297 0.000) 0.343 7.819 ( -3.056 -5.294 0.000) 6.113 7.899 ( 0.618 1.071 0.000) 1.237 8.091 ( -2.072 -3.590 0.000) 4.145 8.238 ( -1.182 -2.046 0.000) 2.363 8.245 ( -2.589 -4.484 0.000) 5.177 8.590 ( 7.561 13.096 0.000) 15.122 8.875 ( -0.119 -0.206 0.000) 0.238 8.917 ( -0.238 -0.412 0.000) 0.476 9.093 ( 4.864 8.425 0.000) 9.728 9.224 ( -0.955 -1.654 0.000) 1.910 9.642 ( 2.352 4.075 0.000) 4.705 9.671 ( 3.289 5.696 0.000) 6.577 9.799 ( -1.969 -3.410 0.000) 3.937 9.912 ( -0.680 -1.178 0.000) 1.360 9.922 ( 0.261 0.453 0.000) 0.523 10.102 ( 1.444 2.502 0.000) 2.889 10.191 ( 0.190 0.328 0.000) 0.379 10.274 ( 3.421 5.926 0.000) 6.842 10.346 ( -1.944 -3.368 0.000) 3.889 10.448 ( -0.428 -0.741 0.000) 0.855 10.561 ( 0.944 1.635 0.000) 1.888 10.605 ( -3.620 -6.270 0.000) 7.240 10.645 ( -1.874 -3.245 0.000) 3.747 10.676 ( -0.295 -0.512 0.000) 0.591 10.917 ( -2.561 -4.435 0.000) 5.121 11.362 ( 0.547 0.948 0.000) 1.095 11.467 ( -2.596 -4.496 0.000) 5.192 11.840 ( -3.245 -5.621 0.000) 6.490 11.848 ( -2.502 -4.333 0.000) 5.003 12.160 ( -4.887 -8.465 0.000) 9.774 12.177 ( -4.002 -6.931 0.000) 8.003 12.462 ( 1.606 2.782 0.000) 3.213 12.471 ( 2.618 4.534 0.000) 5.235 12.934 ( -1.874 -3.246 0.000) 3.748 13.010 ( -3.281 -5.684 0.000) 6.563 13.232 ( -1.826 -3.164 0.000) 3.653 13.327 ( -3.869 -6.701 0.000) 7.738 13.679 ( -4.342 -7.520 0.000) 8.683 13.735 ( -2.848 -4.932 0.000) 5.695 14.059 ( -2.224 -3.853 0.000) 4.449 14.187 ( -2.368 -4.101 0.000) 4.735 14.645 ( 3.298 5.713 0.000) 6.596 14.959 ( -1.154 -1.999 0.000) 2.309 14.986 ( 10.248 17.749 0.000) 20.495 15.320 ( 0.987 1.710 0.000) 1.975 15.597 ( -3.006 -5.206 0.000) 6.012 15.826 ( -3.071 -5.319 0.000) 6.142 16.029 ( -5.998 -10.389 0.000) 11.996 16.636 ( 1.550 2.685 0.000) 3.100 16.959 ( 5.190 8.990 0.000) 10.381 17.056 ( -1.266 -2.193 0.000) 2.533 17.333 ( -2.098 -3.633 0.000) 4.195 17.814 ( 0.326 0.565 0.000) 0.653 17.815 ( -0.840 -1.455 0.000) 1.681 18.779 ( 2.375 4.113 0.000) 4.750 19.248 ( 5.307 9.192 0.000) 10.614 19.843 ( 11.356 19.668 0.000) 22.711 20.571 ( 5.697 9.867 0.000) 11.394 20.866 ( 3.182 5.511 0.000) 6.364 21.446 ( -2.842 -4.922 0.000) 5.683 21.471 ( -5.508 -9.540 0.000) 11.016 24.034 ( -1.499 -2.596 0.000) 2.998 24.186 ( -3.695 -6.399 0.000) 7.389 24.433 ( -3.020 -5.230 0.000) 6.039 24.580 ( -2.771 -4.800 0.000) 5.543 ======================= Grid point 42 (18/69) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( 11.716 16.607 -1.878) 20.411 3.634 ( -7.991 8.446 1.185) 11.687 3.914 ( 9.673 7.145 0.426) 12.033 3.976 ( -7.160 2.833 -1.714) 7.888 4.134 ( -3.352 -3.636 2.124) 5.382 4.227 ( 1.765 -0.483 0.454) 1.885 4.528 ( 5.363 6.960 -2.312) 9.086 4.688 ( 3.841 11.595 3.071) 12.595 4.895 ( -0.163 -6.359 -1.033) 6.444 5.073 ( -9.699 -2.946 -1.185) 10.205 5.231 ( 5.338 -4.190 2.778) 7.333 5.373 ( -3.966 -10.957 -2.089) 11.839 5.872 ( 9.166 16.483 2.723) 19.056 5.997 ( -6.186 10.929 -3.861) 13.139 6.240 ( 3.081 -3.067 1.006) 4.463 6.337 ( -1.860 -1.815 1.892) 3.214 6.516 ( -0.705 -6.128 -0.687) 6.206 6.669 ( -9.784 -12.290 -1.019) 15.742 6.816 ( 6.665 -4.930 -3.747) 9.098 6.942 ( 5.079 -5.349 1.572) 7.541 7.085 ( 2.946 1.923 4.153) 5.443 7.159 ( 1.713 1.287 -0.882) 2.317 7.221 ( -6.651 -6.018 -1.120) 9.040 7.695 ( 1.282 6.773 -1.772) 7.117 7.722 ( -0.084 6.773 -1.430) 6.923 7.755 ( -2.904 1.460 1.322) 3.509 7.890 ( -6.440 8.200 3.792) 11.094 8.040 ( -0.361 -2.595 -0.939) 2.783 8.171 ( 0.461 -3.960 0.993) 4.108 8.247 ( 2.401 -3.096 -1.191) 4.095 8.786 ( 1.847 3.445 -3.778) 5.436 8.877 ( -1.061 2.518 5.082) 5.770 8.947 ( 2.495 5.877 -4.756) 7.961 9.201 ( 4.836 -2.984 3.444) 6.645 9.325 ( 7.513 11.552 0.694) 13.798 9.521 ( -7.553 -6.442 -0.126) 9.928 9.594 ( -10.982 -8.079 -2.607) 13.881 9.760 ( 2.137 2.911 2.194) 4.225 9.968 ( 2.551 2.401 -1.289) 3.733 10.037 ( -7.986 6.913 -1.004) 10.610 10.114 ( 2.503 13.192 -0.408) 13.434 10.259 ( -2.129 5.957 1.822) 6.583 10.302 ( 6.095 -8.797 0.755) 10.729 10.328 ( -2.445 2.184 -0.031) 3.278 10.421 ( -5.873 2.844 -0.609) 6.554 10.550 ( 2.117 2.068 1.546) 3.339 10.591 ( -1.224 2.121 1.031) 2.657 10.650 ( 5.590 -1.469 -1.988) 6.112 10.700 ( 4.114 -1.154 -0.638) 4.321 10.830 ( -1.885 -9.228 -0.008) 9.418 11.383 ( 1.428 -1.666 0.869) 2.360 11.425 ( 3.800 -6.127 -0.808) 7.255 11.712 ( -5.069 -0.343 -0.330) 5.092 11.757 ( -3.748 -3.141 -0.664) 4.935 12.024 ( -0.478 -7.720 -0.522) 7.752 12.034 ( -0.456 -9.410 1.355) 9.518 12.549 ( 1.922 3.802 -0.507) 4.290 12.559 ( 2.348 3.811 0.867) 4.559 12.892 ( -1.183 -0.723 0.114) 1.391 12.905 ( -2.684 -3.307 -0.363) 4.275 13.173 ( -0.782 -2.815 -0.672) 2.998 13.236 ( -0.189 -5.068 0.325) 5.082 13.578 ( -1.160 -3.497 1.015) 3.822 13.685 ( 3.841 -8.165 -0.095) 9.024 13.988 ( -1.600 -2.687 -0.483) 3.165 14.125 ( 2.762 -8.155 -0.293) 8.615 14.767 ( -3.033 13.954 -0.380) 14.285 14.959 ( 4.723 -1.500 1.821) 5.279 15.269 ( -6.535 -1.587 -0.948) 6.792 15.333 ( 6.775 16.054 -1.418) 17.483 15.482 ( -2.345 1.513 -0.825) 2.910 15.738 ( -8.804 -3.105 0.243) 9.339 15.835 ( 3.804 -15.583 1.730) 16.133 16.686 ( 5.962 -6.429 -0.046) 8.768 17.011 ( -2.295 0.464 -1.494) 2.777 17.074 ( 4.339 -3.027 3.155) 6.160 17.367 ( 0.554 11.764 -1.308) 11.849 17.616 ( -14.113 5.127 -0.649) 15.029 17.936 ( 11.763 -13.705 0.130) 18.061 18.842 ( -0.127 4.057 0.067) 4.059 19.375 ( -0.208 7.524 0.058) 7.527 20.117 ( 0.022 15.575 0.040) 15.575 20.727 ( 1.969 7.598 -0.359) 7.857 20.933 ( 0.606 1.072 0.280) 1.263 21.335 ( -1.025 -5.407 0.295) 5.512 21.364 ( -1.800 -3.087 -0.273) 3.584 23.997 ( -0.618 -1.136 -0.115) 1.298 24.095 ( 0.327 -5.819 0.113) 5.829 24.358 ( -2.538 0.140 0.077) 2.543 24.510 ( 1.695 -7.087 -0.066) 7.287 ======================= Grid point 54 (19/69) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.662 ( -2.564 -4.440 0.000) 5.127 3.662 ( 2.564 4.440 0.000) 5.127 3.988 ( -1.788 -3.097 0.000) 3.576 3.988 ( 1.788 3.097 0.000) 3.576 4.114 ( -0.000 -0.000 0.000) 0.000 4.204 ( -0.000 -0.000 0.000) 0.000 4.614 ( -0.000 -0.000 0.000) 0.000 4.821 ( -0.337 -0.584 0.000) 0.674 4.821 ( 0.337 0.584 0.000) 0.674 5.100 ( -0.000 -0.000 0.000) 0.000 5.194 ( -0.846 -1.466 0.000) 1.693 5.194 ( 0.846 1.466 0.000) 1.693 6.170 ( -0.000 -0.000 0.000) 0.000 6.219 ( -8.285 -14.350 0.000) 16.570 6.219 ( 8.285 14.350 0.000) 16.570 6.318 ( -7.799 -13.509 0.000) 15.598 6.318 ( 7.799 13.508 0.000) 15.598 6.347 ( 0.000 0.000 0.000) 0.000 6.775 ( 0.000 0.000 0.000) 0.000 6.940 ( -0.000 -0.000 0.000) 0.000 7.118 ( -1.623 -2.811 0.000) 3.246 7.118 ( 1.623 2.811 0.000) 3.246 7.197 ( -0.000 -0.000 0.000) 0.000 7.766 ( -0.492 -0.853 0.000) 0.985 7.766 ( 0.492 0.853 0.000) 0.985 7.808 ( -0.000 -0.000 0.000) 0.000 8.008 ( -0.000 -0.000 0.000) 0.000 8.045 ( -3.729 -6.459 0.000) 7.459 8.045 ( 3.729 6.459 0.000) 7.459 8.239 ( -0.000 -0.000 0.000) 0.000 8.839 ( -1.495 -2.590 0.000) 2.991 8.839 ( 1.495 2.590 0.000) 2.991 9.172 ( -0.822 -1.424 0.000) 1.644 9.172 ( 0.822 1.424 0.000) 1.644 9.290 ( 0.000 0.000 0.000) 0.000 9.512 ( -3.078 -5.332 0.000) 6.156 9.512 ( 3.078 5.332 0.000) 6.156 9.747 ( -0.000 -0.000 0.000) 0.000 10.089 ( -3.499 -6.060 0.000) 6.997 10.089 ( 3.499 6.060 0.000) 6.997 10.131 ( 0.000 0.000 0.000) 0.000 10.295 ( -0.700 -1.212 0.000) 1.399 10.295 ( 0.700 1.212 0.000) 1.399 10.312 ( -0.000 -0.000 0.000) 0.000 10.563 ( -0.000 -0.000 0.000) 0.000 10.582 ( -1.105 -1.915 0.000) 2.211 10.582 ( 1.105 1.915 0.000) 2.211 10.650 ( -1.965 -3.403 0.000) 3.930 10.650 ( 1.965 3.403 0.000) 3.930 10.734 ( 0.000 0.000 0.000) 0.000 11.352 ( -0.022 -0.038 0.000) 0.044 11.352 ( 0.022 0.038 0.000) 0.044 11.737 ( -0.122 -0.212 0.000) 0.245 11.737 ( 0.122 0.212 0.000) 0.245 11.889 ( -0.000 -0.000 0.000) 0.000 11.931 ( -0.000 -0.000 0.000) 0.000 12.614 ( -0.366 -0.634 0.000) 0.732 12.614 ( 0.366 0.634 0.000) 0.732 12.870 ( -0.271 -0.469 0.000) 0.542 12.870 ( 0.271 0.469 0.000) 0.542 13.145 ( -0.000 -0.000 0.000) 0.000 13.187 ( -0.000 -0.000 0.000) 0.000 13.574 ( -1.483 -2.568 0.000) 2.965 13.574 ( 1.483 2.568 0.000) 2.965 13.998 ( -1.977 -3.424 0.000) 3.953 13.998 ( 1.977 3.424 0.000) 3.953 14.920 ( -0.000 -0.000 0.000) 0.000 15.089 ( -7.598 -13.161 0.000) 15.197 15.089 ( 7.598 13.161 0.000) 15.197 15.486 ( -0.000 -0.000 0.000) 0.000 15.623 ( -5.832 -10.101 0.000) 11.664 15.623 ( 5.832 10.101 0.000) 11.664 15.652 ( -0.000 -0.000 0.000) 0.000 16.609 ( -0.000 -0.000 0.000) 0.000 17.028 ( -0.673 -1.166 0.000) 1.346 17.028 ( 0.673 1.166 0.000) 1.346 17.598 ( 0.000 0.000 0.000) 0.000 17.684 ( -3.433 -5.947 0.000) 6.867 17.684 ( 3.433 5.947 0.000) 6.867 18.884 ( -0.000 -0.000 0.000) 0.000 19.451 ( -0.000 -0.000 0.000) 0.000 20.273 ( -0.000 -0.000 0.000) 0.000 20.871 ( -3.342 -5.788 0.000) 6.683 20.871 ( 3.342 5.788 0.000) 6.683 21.308 ( -0.977 -1.692 0.000) 1.954 21.308 ( 0.977 1.692 0.000) 1.953 24.010 ( -1.349 -2.336 0.000) 2.698 24.010 ( 1.349 2.336 0.000) 2.698 24.399 ( -2.082 -3.605 0.000) 4.163 24.399 ( 2.082 3.605 0.000) 4.163 ======================= Grid point 157 (20/69) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 0.000 0.000 38.519) 38.519 0.700 ( 0.000 0.000 38.519) 38.519 1.476 ( 0.000 0.000 80.231) 80.231 2.074 ( 0.000 0.000 -36.531) 36.531 2.074 ( -0.000 0.000 -36.531) 36.531 3.322 ( 0.000 0.000 29.912) 29.912 3.322 ( -0.000 0.000 29.912) 29.912 4.167 ( -0.000 0.000 -64.343) 64.343 4.191 ( 0.000 0.000 -16.874) 16.874 4.191 ( -0.000 0.000 -16.874) 16.874 4.852 ( -0.000 0.000 12.679) 12.679 4.852 ( 0.000 -0.000 12.679) 12.679 5.359 ( 0.000 0.000 -11.656) 11.656 5.359 ( -0.000 0.000 -11.656) 11.656 5.982 ( 0.000 0.000 20.120) 20.120 6.044 ( 0.000 0.000 3.603) 3.603 6.364 ( 0.000 0.000 -0.776) 0.776 6.408 ( 0.000 0.000 -0.348) 0.348 7.372 ( 0.000 -0.000 11.100) 11.100 7.372 ( 0.000 0.000 11.100) 11.100 7.567 ( 0.000 0.000 13.041) 13.041 7.746 ( 0.000 0.000 -5.290) 5.290 7.746 ( -0.000 0.000 -5.290) 5.290 7.988 ( 0.000 0.000 11.111) 11.111 8.063 ( 0.000 0.000 -7.242) 7.242 8.600 ( 0.000 0.000 -16.428) 16.428 8.611 ( 0.000 -0.000 -3.304) 3.304 8.611 ( 0.000 -0.000 -3.304) 3.304 8.672 ( 0.000 0.000 -6.084) 6.084 8.672 ( 0.000 -0.000 -6.084) 6.084 8.789 ( 0.000 0.000 1.198) 1.198 8.848 ( 0.000 0.000 -0.809) 0.809 9.042 ( 0.000 0.000 10.162) 10.162 9.042 ( 0.000 -0.000 10.162) 10.162 9.304 ( 0.000 0.000 -3.065) 3.065 9.304 ( 0.000 0.000 -3.065) 3.065 9.925 ( 0.000 0.000 1.806) 1.806 9.925 ( 0.000 0.000 1.806) 1.806 10.079 ( 0.000 0.000 -5.751) 5.751 10.079 ( 0.000 0.000 -5.751) 5.751 10.242 ( 0.000 0.000 7.821) 7.821 10.388 ( 0.000 0.000 4.338) 4.338 10.388 ( 0.000 -0.000 4.338) 4.338 10.469 ( 0.000 0.000 -0.040) 0.040 10.469 ( 0.000 0.000 -0.040) 0.040 10.563 ( 0.000 0.000 -6.549) 6.549 11.190 ( 0.000 0.000 5.019) 5.019 11.190 ( 0.000 0.000 5.019) 5.019 11.514 ( -0.000 0.000 -10.457) 10.457 11.514 ( 0.000 -0.000 -10.457) 10.457 12.084 ( 0.000 0.000 0.380) 0.380 12.144 ( 0.000 0.000 -3.213) 3.213 12.163 ( 0.000 0.000 10.286) 10.286 12.163 ( -0.000 -0.000 10.286) 10.286 12.490 ( 0.000 -0.000 -5.531) 5.531 12.490 ( 0.000 0.000 -5.531) 5.531 12.685 ( 0.000 0.000 12.673) 12.673 13.042 ( 0.000 0.000 1.506) 1.506 13.042 ( 0.000 -0.000 1.506) 1.506 13.114 ( 0.000 0.000 -1.661) 1.661 13.114 ( 0.000 0.000 -1.661) 1.661 13.189 ( 0.000 0.000 -10.696) 10.696 13.920 ( 0.000 0.000 9.470) 9.470 14.268 ( 0.000 0.000 4.777) 4.777 14.268 ( 0.000 -0.000 4.777) 4.777 14.369 ( 0.000 0.000 -11.063) 11.063 14.503 ( 0.000 0.000 -5.539) 5.539 14.503 ( 0.000 0.000 -5.539) 5.539 15.530 ( 0.000 0.000 7.443) 7.443 15.779 ( 0.000 -0.000 -3.974) 3.974 15.850 ( 0.000 -0.000 0.348) 0.348 15.850 ( 0.000 0.000 0.348) 0.348 15.866 ( -0.000 0.000 -0.369) 0.369 15.866 ( -0.000 0.000 -0.369) 0.369 16.739 ( 0.000 0.000 8.338) 8.338 16.739 ( 0.000 -0.000 8.338) 8.338 17.131 ( 0.000 0.000 -9.045) 9.045 17.131 ( 0.000 0.000 -9.045) 9.045 17.780 ( 0.000 0.000 2.642) 2.642 17.900 ( 0.000 0.000 -2.536) 2.536 18.341 ( 0.000 0.000 5.195) 5.195 18.341 ( -0.000 -0.000 5.195) 5.195 18.533 ( 0.000 0.000 -3.427) 3.427 18.533 ( 0.000 0.000 -3.427) 3.427 22.228 ( 0.000 0.000 0.863) 0.863 22.268 ( 0.000 0.000 -0.876) 0.876 24.030 ( 0.000 0.000 0.263) 0.263 24.042 ( 0.000 0.000 -0.242) 0.242 24.929 ( 0.000 0.000 0.367) 0.367 24.946 ( 0.000 0.000 -0.368) 0.368 ======================= Grid point 158 (21/69) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 5.657 3.266 30.532) 31.223 1.311 ( 16.319 9.422 48.136) 51.693 1.961 ( 50.458 29.132 33.025) 66.973 2.272 ( 23.872 13.782 -28.623) 39.738 2.369 ( 17.330 10.006 -26.668) 33.341 3.225 ( -3.140 -1.813 29.425) 29.648 3.669 ( 20.814 12.017 26.103) 35.482 4.193 ( 3.407 1.967 -59.803) 59.933 4.272 ( 4.317 2.493 -23.613) 24.133 4.374 ( 9.764 5.637 -11.180) 15.878 4.953 ( 10.121 5.844 10.157) 15.484 4.993 ( 7.671 4.429 9.732) 13.159 5.315 ( -2.755 -1.591 -10.012) 10.505 5.556 ( 11.668 6.737 -13.258) 18.903 5.933 ( -4.514 -2.606 20.838) 21.480 6.037 ( -0.099 -0.057 4.401) 4.402 6.344 ( -5.384 -3.108 -0.865) 6.277 6.360 ( 0.002 0.001 -3.875) 3.875 7.327 ( -3.758 -2.170 10.836) 11.673 7.377 ( -0.670 -0.387 11.503) 11.529 7.524 ( -3.428 -1.979 13.099) 13.684 7.714 ( -2.786 -1.609 -5.585) 6.446 7.765 ( -0.410 -0.237 -5.161) 5.182 7.962 ( -0.712 -0.411 7.098) 7.146 8.069 ( 0.712 0.411 -7.837) 7.881 8.298 ( -18.509 -10.686 -3.672) 21.685 8.512 ( -7.154 -4.130 -3.924) 9.146 8.528 ( -8.255 -4.766 -5.604) 11.058 8.670 ( 0.736 0.425 -4.773) 4.848 8.745 ( -3.213 -1.855 0.720) 3.780 8.771 ( -0.327 -0.189 1.666) 1.708 8.776 ( 0.455 0.263 -2.286) 2.345 8.985 ( -2.297 -1.326 -2.779) 3.841 9.054 ( -1.711 -0.988 10.348) 10.535 9.125 ( -13.239 -7.644 -0.975) 15.319 9.288 ( -1.324 -0.764 -5.741) 5.941 9.948 ( 1.410 0.814 4.562) 4.844 9.956 ( -1.204 -0.695 1.155) 1.807 10.033 ( 2.546 1.470 -4.181) 5.111 10.105 ( -4.069 -2.349 6.310) 7.867 10.212 ( 0.854 0.493 4.494) 4.601 10.382 ( -1.973 -1.139 1.365) 2.656 10.398 ( -5.344 -3.085 0.274) 6.177 10.440 ( 3.852 2.224 0.322) 4.459 10.444 ( 0.535 0.309 1.570) 1.687 10.584 ( 0.152 0.088 -6.839) 6.841 11.112 ( -4.248 -2.453 2.792) 5.644 11.294 ( 4.726 2.729 7.169) 9.009 11.381 ( -6.033 -3.483 -10.497) 12.598 11.552 ( -17.606 -10.165 28.601) 35.090 11.604 ( 1.323 0.764 -7.949) 8.094 11.881 ( -17.548 -10.132 7.433) 21.584 12.012 ( -8.652 -4.995 -0.482) 10.002 12.071 ( -11.814 -6.821 2.843) 13.935 12.191 ( -5.212 -3.009 1.977) 6.334 12.441 ( 0.099 0.057 -2.542) 2.545 12.806 ( -3.161 -1.825 -1.065) 3.802 12.937 ( 12.570 7.257 3.571) 14.947 13.041 ( 0.536 0.309 0.276) 0.678 13.046 ( 0.838 0.484 -0.140) 0.978 13.123 ( 3.599 2.078 1.845) 4.546 13.135 ( 1.468 0.848 -1.887) 2.536 13.873 ( -1.410 -0.814 6.059) 6.274 14.294 ( -3.234 -1.867 -11.060) 11.673 14.334 ( 3.576 2.065 4.706) 6.261 14.490 ( 0.253 0.146 -6.289) 6.296 14.523 ( -4.084 -2.358 5.034) 6.898 15.167 ( 18.712 10.803 -22.430) 31.144 15.326 ( -12.896 -7.446 4.961) 15.696 15.512 ( -13.163 -7.600 -1.420) 15.266 15.803 ( -3.289 -1.899 -0.192) 3.803 15.849 ( -0.152 -0.088 0.195) 0.262 15.931 ( 1.605 0.927 2.276) 2.935 16.037 ( 11.335 6.544 0.964) 13.124 16.700 ( -0.697 -0.402 5.298) 5.359 16.767 ( 8.255 4.766 15.165) 17.912 17.056 ( -2.438 -1.408 -14.180) 14.457 17.219 ( 9.267 5.350 -2.554) 11.001 18.173 ( 17.631 10.179 11.016) 23.148 18.210 ( -6.231 -3.597 1.612) 7.373 18.493 ( 0.666 0.385 -7.262) 7.303 18.596 ( 4.608 2.660 -1.965) 5.672 18.617 ( 22.101 12.760 3.113) 25.709 19.415 ( 54.837 31.660 -57.251) 85.364 22.171 ( -5.062 -2.923 1.156) 5.958 22.227 ( -3.580 -2.067 -1.160) 4.293 24.074 ( 3.285 1.896 1.830) 4.211 24.349 ( 15.750 9.093 -18.163) 25.703 24.891 ( -3.223 -1.861 1.105) 3.883 24.916 ( -3.262 -1.883 -0.856) 3.862 ======================= Grid point 159 (22/69) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 25.123 14.505 9.870) 30.642 1.653 ( 17.825 10.291 41.215) 46.069 2.653 ( 15.308 8.838 -22.442) 28.567 2.909 ( 28.341 16.363 -17.766) 37.237 3.209 ( 3.263 1.884 24.399) 24.688 3.318 ( 57.384 33.131 15.065) 67.953 4.159 ( 22.535 13.011 12.812) 29.004 4.355 ( 4.267 2.464 -16.576) 17.293 4.369 ( 12.971 7.489 -43.513) 46.018 4.561 ( 6.918 3.994 -2.016) 8.239 5.156 ( 6.756 3.900 8.114) 11.255 5.201 ( 1.852 1.069 -3.277) 3.913 5.272 ( 8.065 4.656 2.042) 9.534 5.764 ( 5.414 3.126 -4.420) 7.656 5.792 ( -7.387 -4.265 17.663) 19.615 6.055 ( 1.740 1.005 6.344) 6.654 6.210 ( -4.482 -2.588 -2.639) 5.809 6.371 ( 0.653 0.377 -8.298) 8.333 7.194 ( -7.991 -4.614 9.602) 13.317 7.343 ( -1.859 -1.073 9.120) 9.369 7.438 ( -4.747 -2.740 11.952) 13.148 7.612 ( -6.339 -3.660 -4.694) 8.695 7.686 ( -6.078 -3.509 -4.174) 8.166 7.941 ( -14.331 -8.274 -10.169) 19.423 7.976 ( 0.726 0.419 1.962) 2.133 8.089 ( 0.345 0.199 -9.107) 9.115 8.323 ( -9.514 -5.493 -2.645) 11.300 8.334 ( -7.714 -4.453 -3.357) 9.519 8.508 ( -7.601 -4.389 6.270) 10.787 8.658 ( -1.973 -1.139 1.848) 2.933 8.780 ( -6.594 -3.807 -0.322) 7.621 8.848 ( -5.376 -3.104 1.487) 6.383 8.891 ( 2.490 1.438 2.010) 3.508 8.974 ( 4.446 2.567 -8.480) 9.913 8.987 ( -5.075 -2.930 9.147) 10.863 9.242 ( -2.580 -1.489 -7.932) 8.473 9.856 ( -6.426 -3.710 0.909) 7.476 9.960 ( -0.759 -0.438 9.931) 9.969 10.010 ( -2.398 -1.384 3.792) 4.695 10.154 ( 6.006 3.467 -1.346) 7.064 10.158 ( -6.108 -3.526 5.222) 8.776 10.275 ( -4.738 -2.735 -1.087) 5.578 10.369 ( 1.295 0.748 0.601) 1.612 10.411 ( -3.616 -2.088 -4.557) 6.181 10.532 ( -4.331 -2.501 -9.035) 10.327 10.589 ( 6.615 3.819 -2.191) 7.947 10.952 ( -10.541 -6.086 3.825) 12.759 11.272 ( -3.299 -1.905 -5.983) 7.093 11.329 ( -3.964 -2.289 4.152) 6.180 11.449 ( -12.069 -6.968 0.318) 13.939 11.544 ( 6.068 3.503 6.198) 9.355 11.646 ( -0.024 -0.014 3.852) 3.852 11.780 ( -9.169 -5.294 -1.154) 10.651 11.879 ( -6.989 -4.035 0.663) 8.097 12.045 ( -7.129 -4.116 -1.023) 8.295 12.474 ( 2.228 1.286 -0.795) 2.692 12.717 ( -5.073 -2.929 -0.450) 5.875 12.848 ( -8.316 -4.801 -1.888) 9.787 13.073 ( 0.105 0.061 0.318) 0.340 13.156 ( 1.239 0.715 0.642) 1.568 13.176 ( 2.248 1.298 -3.876) 4.665 13.410 ( 16.746 9.668 2.366) 19.481 13.864 ( 1.180 0.681 2.930) 3.231 14.226 ( -2.640 -1.524 -7.974) 8.537 14.333 ( -11.071 -6.392 8.160) 15.166 14.416 ( 3.172 1.831 5.307) 6.448 14.502 ( 0.579 0.334 -6.150) 6.187 15.077 ( -9.005 -5.199 5.431) 11.731 15.188 ( -11.511 -6.646 0.695) 13.310 15.336 ( -3.864 -2.231 -9.253) 10.272 15.780 ( -0.042 -0.024 -4.365) 4.365 15.825 ( -2.493 -1.439 0.765) 2.978 15.996 ( 5.850 3.377 2.286) 7.131 16.306 ( 12.627 7.290 2.551) 14.801 16.699 ( 0.774 0.447 0.770) 1.180 16.991 ( 9.790 5.653 14.188) 18.141 17.045 ( 1.383 0.799 -17.293) 17.366 17.466 ( 12.002 6.929 1.639) 13.955 18.058 ( -6.222 -3.592 1.079) 7.265 18.486 ( 11.174 6.451 11.578) 17.336 18.527 ( 2.415 1.394 -7.171) 7.694 18.696 ( 5.330 3.078 -0.209) 6.159 19.264 ( 30.560 17.644 7.350) 36.045 20.127 ( 18.825 10.868 -25.978) 33.873 22.014 ( -8.774 -5.066 1.650) 10.265 22.115 ( -6.419 -3.706 -1.751) 7.616 24.139 ( 1.904 1.099 3.518) 4.148 24.587 ( 6.688 3.862 -12.949) 15.077 24.798 ( -4.939 -2.851 3.379) 6.629 24.806 ( -6.280 -3.626 -2.355) 7.624 ======================= Grid point 160 (23/69) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 32.467 18.745 -0.127) 37.490 2.109 ( 22.782 13.153 28.509) 38.792 2.941 ( 10.857 6.269 -5.596) 13.729 3.357 ( 10.360 5.981 7.563) 14.153 3.377 ( 13.651 7.882 -15.389) 22.029 4.347 ( 17.365 10.026 -7.626) 21.453 4.559 ( 3.710 2.142 -4.254) 6.038 4.634 ( 36.109 20.848 4.147) 41.901 4.680 ( 15.852 9.152 -3.457) 18.627 4.828 ( 22.624 13.062 -10.230) 28.056 5.114 ( -4.912 -2.836 6.883) 8.919 5.275 ( 3.757 2.169 3.652) 5.671 5.566 ( 13.434 7.756 -1.921) 15.631 5.682 ( 0.080 0.046 4.238) 4.239 5.712 ( -9.350 -5.398 2.847) 11.165 6.080 ( 1.818 1.050 3.930) 4.456 6.275 ( 8.179 4.722 4.653) 10.528 6.361 ( -2.149 -1.241 -9.999) 10.302 6.993 ( -9.684 -5.591 7.097) 13.244 7.263 ( -9.085 -5.245 6.327) 12.251 7.333 ( -1.042 -0.602 4.747) 4.897 7.469 ( -5.575 -3.219 -4.666) 7.951 7.524 ( -7.927 -4.577 -2.364) 9.453 7.623 ( -14.415 -8.322 -11.813) 20.411 7.948 ( -4.291 -2.477 3.580) 6.113 8.009 ( -7.518 -4.340 -7.029) 11.170 8.210 ( 0.438 0.253 -0.182) 0.538 8.227 ( -1.395 -0.805 -0.617) 1.725 8.453 ( 1.293 0.747 1.146) 1.882 8.559 ( -5.442 -3.142 5.643) 8.446 8.658 ( -3.044 -1.757 1.592) 3.858 8.686 ( -7.530 -4.347 1.447) 8.814 8.861 ( -3.975 -2.295 5.533) 7.189 9.046 ( 1.674 0.967 -6.066) 6.367 9.071 ( 8.852 5.111 1.935) 10.403 9.177 ( -2.989 -1.726 -5.856) 6.797 9.705 ( -6.447 -3.722 -0.162) 7.446 9.898 ( -3.755 -2.168 3.560) 5.610 9.996 ( -6.182 -3.569 7.577) 10.409 10.037 ( 1.410 0.814 5.708) 5.936 10.161 ( -6.012 -3.471 -0.608) 6.968 10.235 ( -2.227 -1.286 -1.604) 3.031 10.342 ( 1.124 0.649 -11.721) 11.793 10.376 ( -1.016 -0.586 2.967) 3.190 10.443 ( -3.011 -1.738 -7.616) 8.372 10.688 ( -11.754 -6.786 5.022) 14.472 10.695 ( 2.743 1.584 -2.873) 4.276 10.984 ( -17.399 -10.045 0.055) 20.091 11.232 ( -0.733 -0.423 -1.195) 1.465 11.420 ( -0.923 -0.533 1.471) 1.817 11.511 ( -1.912 -1.104 -3.872) 4.457 11.618 ( -6.011 -3.470 2.418) 7.350 11.728 ( -6.613 -3.818 1.813) 7.848 11.771 ( -1.392 -0.804 -1.862) 2.460 11.981 ( 6.992 4.037 3.822) 8.933 12.516 ( 0.682 0.394 2.018) 2.167 12.625 ( -2.249 -1.298 -0.890) 2.745 12.675 ( -6.135 -3.542 -2.404) 7.481 13.034 ( -3.189 -1.841 0.709) 3.750 13.130 ( -3.352 -1.935 0.975) 3.992 13.208 ( 0.246 0.142 -2.666) 2.681 13.684 ( 6.917 3.994 0.480) 8.002 13.929 ( 4.409 2.545 -1.064) 5.201 14.094 ( -8.021 -4.631 5.675) 10.862 14.194 ( -1.679 -0.970 -4.281) 4.700 14.484 ( 3.942 2.276 4.133) 6.148 14.502 ( -0.907 -0.524 -6.020) 6.111 14.912 ( -6.597 -3.809 8.285) 11.255 14.948 ( -9.121 -5.266 2.327) 10.786 15.205 ( -6.719 -3.879 -8.080) 11.202 15.728 ( -6.289 -3.631 0.466) 7.276 15.737 ( -3.849 -2.222 -3.620) 5.732 16.188 ( 10.244 5.914 2.070) 12.008 16.569 ( 9.724 5.614 7.558) 13.535 16.759 ( 5.528 3.191 -7.291) 9.690 17.110 ( 4.525 2.613 -18.739) 19.454 17.143 ( 3.491 2.016 9.993) 10.775 17.648 ( 0.821 0.474 16.878) 16.905 18.045 ( 8.305 4.795 -7.245) 12.019 18.596 ( 3.747 2.163 -6.019) 7.413 18.681 ( 6.464 3.732 4.852) 8.902 18.838 ( 7.391 4.267 3.233) 9.127 19.861 ( 22.772 13.147 6.822) 27.165 20.440 ( 11.019 6.362 -11.080) 16.871 21.799 ( -10.193 -5.885 1.871) 11.918 21.952 ( -8.109 -4.682 -2.182) 9.615 24.147 ( -1.146 -0.662 3.233) 3.493 24.626 ( -6.161 -3.557 0.180) 7.116 24.680 ( -5.505 -3.178 6.126) 8.828 24.706 ( 0.997 0.575 -12.368) 12.422 ======================= Grid point 161 (24/69) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 31.261 18.049 -4.109) 36.330 2.635 ( 24.073 13.898 18.814) 33.565 3.151 ( 8.496 4.905 6.865) 11.974 3.591 ( 7.531 4.348 -11.021) 14.039 3.628 ( 12.931 7.466 -4.597) 15.623 4.498 ( 2.537 1.465 -7.324) 7.888 4.518 ( -4.984 -2.878 1.057) 5.852 4.844 ( -3.307 -1.909 -4.449) 5.863 5.018 ( 0.768 0.443 -0.737) 1.153 5.317 ( 0.600 0.346 1.771) 1.902 5.398 ( 9.418 5.437 -0.552) 10.889 5.402 ( 22.887 13.214 4.640) 26.832 5.487 ( 4.580 2.644 8.956) 10.401 5.787 ( 8.695 5.020 -5.138) 11.279 5.911 ( 16.653 9.615 -3.883) 19.618 6.162 ( 5.415 3.126 1.632) 6.462 6.272 ( -5.103 -2.946 -7.950) 9.895 6.450 ( 6.450 3.724 11.647) 13.825 6.796 ( -7.070 -4.082 4.958) 9.551 7.051 ( -8.435 -4.870 -0.705) 9.765 7.210 ( -11.494 -6.636 1.597) 13.368 7.320 ( -10.121 -5.843 -10.357) 15.615 7.407 ( -1.764 -1.018 -2.880) 3.527 7.447 ( 1.682 0.971 2.881) 3.475 7.810 ( -6.286 -3.629 -2.032) 7.537 7.834 ( -8.041 -4.642 -2.981) 9.751 8.188 ( -3.615 -2.087 6.883) 8.050 8.278 ( 5.064 2.924 -0.784) 5.900 8.448 ( -7.084 -4.090 12.315) 14.784 8.494 ( 0.608 0.351 -10.704) 10.727 8.573 ( -1.101 -0.636 4.938) 5.099 8.655 ( 6.045 3.490 -0.684) 7.013 8.865 ( 3.352 1.935 0.979) 3.992 9.031 ( -2.647 -1.529 -3.447) 4.607 9.161 ( 1.846 1.066 -2.946) 3.636 9.216 ( 3.604 2.081 0.972) 4.274 9.576 ( -5.623 -3.246 -3.017) 7.160 9.776 ( -7.268 -4.196 0.570) 8.412 9.872 ( -3.890 -2.246 8.126) 9.285 10.011 ( -6.893 -3.980 0.318) 7.966 10.079 ( 1.031 0.595 7.710) 7.802 10.117 ( -5.876 -3.392 -8.139) 10.596 10.315 ( -4.656 -2.688 3.397) 6.360 10.388 ( -1.076 -0.621 -10.959) 11.029 10.409 ( 0.178 0.103 2.486) 2.495 10.506 ( -2.407 -1.390 1.883) 3.357 10.650 ( -10.849 -6.264 1.231) 12.588 10.726 ( -0.546 -0.315 -5.679) 5.714 11.223 ( -0.251 -0.145 0.634) 0.697 11.360 ( -2.039 -1.177 -1.583) 2.837 11.499 ( -4.940 -2.852 6.366) 8.548 11.533 ( 1.860 1.074 -2.657) 3.417 11.601 ( -4.335 -2.503 1.098) 5.124 11.637 ( -7.046 -4.068 -5.275) 9.697 12.163 ( 5.056 2.919 3.225) 6.670 12.458 ( -4.870 -2.812 4.110) 6.966 12.627 ( 0.722 0.417 -1.120) 1.397 12.644 ( 3.385 1.954 -1.004) 4.035 12.945 ( -4.602 -2.657 0.384) 5.327 13.030 ( -5.086 -2.936 0.181) 5.876 13.221 ( 2.412 1.393 -1.329) 3.086 13.712 ( -3.290 -1.899 3.977) 5.500 13.972 ( -3.619 -2.089 -5.903) 7.232 14.050 ( 6.400 3.695 -5.497) 9.210 14.169 ( -0.287 -0.166 5.418) 5.428 14.434 ( -6.043 -3.489 -4.347) 8.221 14.623 ( 8.207 4.739 5.987) 11.210 14.756 ( -7.374 -4.257 7.029) 11.042 14.808 ( -3.078 -1.777 1.699) 3.940 15.080 ( -3.936 -2.273 -10.550) 11.488 15.552 ( -9.400 -5.427 -0.979) 10.898 15.616 ( -7.031 -4.059 -2.094) 8.384 16.414 ( 9.764 5.637 3.298) 11.747 16.719 ( 5.169 2.984 5.795) 8.319 16.904 ( 4.741 2.737 -5.733) 7.928 17.154 ( -2.063 -1.191 5.722) 6.199 17.273 ( 10.790 6.230 -20.551) 24.033 17.557 ( -6.421 -3.707 19.617) 20.971 18.338 ( 14.683 8.477 -5.043) 17.689 18.688 ( 4.393 2.536 -3.281) 6.041 18.782 ( 2.748 1.587 2.524) 4.055 18.995 ( 6.085 3.513 2.624) 7.500 20.278 ( 15.277 8.820 4.252) 18.145 20.646 ( 7.777 4.490 -4.436) 10.016 21.579 ( -9.324 -5.383 1.745) 10.907 21.765 ( -8.491 -4.902 -2.234) 10.055 24.103 ( -2.322 -1.341 1.994) 3.342 24.464 ( -7.261 -4.192 -2.522) 8.756 24.562 ( -5.019 -2.898 8.301) 10.124 24.728 ( 0.341 0.197 -8.711) 8.720 ======================= Grid point 162 (25/69) ======================= q-point: ( 0.42 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 22.824 13.177 -5.514) 26.925 3.107 ( 14.442 8.338 7.807) 18.413 3.351 ( 12.244 7.069 13.124) 19.290 3.756 ( 7.592 4.383 -3.538) 9.454 3.895 ( 10.783 6.225 -4.355) 13.190 4.385 ( -6.422 -3.708 -0.072) 7.415 4.443 ( -8.323 -4.805 -6.373) 11.531 4.624 ( -12.940 -7.471 -1.164) 14.987 5.124 ( -10.283 -5.937 7.463) 14.024 5.132 ( 6.903 3.986 -13.526) 15.700 5.427 ( 4.130 2.384 4.322) 6.435 5.685 ( 2.902 1.675 3.501) 4.846 5.756 ( 5.534 3.195 -0.454) 6.406 6.033 ( 12.427 7.175 3.889) 14.867 6.072 ( -4.916 -2.838 -15.238) 16.261 6.267 ( 2.506 1.447 0.239) 2.904 6.367 ( 15.277 8.820 3.497) 17.984 6.525 ( -0.272 -0.157 9.640) 9.646 6.726 ( 0.681 0.393 3.826) 3.906 6.913 ( -5.422 -3.130 -6.459) 8.996 6.955 ( -7.797 -4.502 4.243) 9.953 7.168 ( -3.343 -1.930 -8.029) 8.909 7.412 ( 1.301 0.751 -0.710) 1.662 7.475 ( -0.496 -0.287 4.753) 4.787 7.664 ( -6.625 -3.825 0.686) 7.680 7.725 ( -1.850 -1.068 -8.650) 8.910 8.063 ( -6.114 -3.530 14.456) 16.088 8.336 ( -2.225 -1.285 7.473) 7.903 8.404 ( 5.021 2.899 -1.857) 6.088 8.492 ( 0.550 0.318 -11.584) 11.602 8.620 ( 4.109 2.373 -0.470) 4.768 8.790 ( 3.001 1.733 0.636) 3.523 8.964 ( 4.617 2.666 0.927) 5.412 8.993 ( -0.016 -0.009 2.147) 2.147 9.197 ( -0.117 -0.068 -2.935) 2.938 9.265 ( 2.881 1.663 1.575) 3.681 9.429 ( -7.998 -4.617 -5.201) 10.599 9.629 ( -5.117 -2.954 1.181) 6.025 9.804 ( -2.320 -1.340 5.934) 6.511 9.908 ( -0.809 -0.467 1.164) 1.493 10.016 ( -3.196 -1.845 -6.836) 7.769 10.071 ( -1.541 -0.890 6.094) 6.348 10.189 ( -5.537 -3.197 1.273) 6.519 10.337 ( -2.680 -1.547 -4.842) 5.746 10.410 ( 0.845 0.488 6.675) 6.746 10.463 ( -6.117 -3.531 2.752) 7.580 10.545 ( 3.058 1.766 -5.983) 6.947 10.739 ( 1.384 0.799 -6.537) 6.730 11.221 ( 0.268 0.155 0.569) 0.648 11.344 ( -0.273 -0.158 0.522) 0.610 11.400 ( -3.823 -2.207 5.731) 7.234 11.479 ( -4.781 -2.760 -6.641) 8.636 11.542 ( -1.406 -0.812 1.676) 2.333 11.590 ( 1.557 0.899 -1.939) 2.644 12.210 ( 0.584 0.337 1.084) 1.276 12.352 ( -4.519 -2.609 3.768) 6.436 12.660 ( 2.311 1.335 -0.767) 2.777 12.717 ( 2.610 1.507 0.947) 3.160 12.847 ( -3.847 -2.221 -0.210) 4.448 12.920 ( -4.697 -2.712 0.331) 5.434 13.340 ( 7.527 4.346 -1.150) 8.767 13.599 ( -5.850 -3.378 4.657) 8.205 13.918 ( -1.099 -0.634 -5.384) 5.532 14.184 ( 1.319 0.762 6.728) 6.898 14.205 ( 5.471 3.158 -10.355) 12.130 14.242 ( -8.319 -4.803 0.375) 9.613 14.556 ( -8.330 -4.809 9.963) 13.849 14.809 ( 2.723 1.572 -3.657) 4.822 14.870 ( 11.812 6.820 1.861) 13.766 15.046 ( 0.888 0.513 -9.976) 10.029 15.321 ( -11.092 -6.404 -1.652) 12.914 15.426 ( -9.996 -5.771 -0.102) 11.543 16.609 ( 7.647 4.415 4.362) 9.849 16.827 ( 4.308 2.487 3.705) 6.203 16.943 ( -0.087 -0.050 -4.242) 4.243 17.071 ( -5.047 -2.914 3.846) 6.983 17.403 ( -7.203 -4.159 15.985) 18.020 17.548 ( 12.574 7.260 -18.714) 23.686 18.620 ( 9.837 5.679 -2.314) 11.592 18.787 ( 4.519 2.609 0.898) 5.295 18.802 ( -0.944 -0.545 2.851) 3.053 19.087 ( 1.881 1.086 -0.600) 2.253 20.552 ( 9.579 5.530 2.925) 11.440 20.784 ( 4.395 2.538 -1.638) 5.333 21.405 ( -5.831 -3.366 1.689) 6.942 21.589 ( -7.002 -4.043 -2.271) 8.398 24.064 ( -0.858 -0.495 0.927) 1.357 24.325 ( -4.906 -2.832 -4.188) 7.044 24.464 ( -3.640 -2.102 9.595) 10.475 24.727 ( -0.096 -0.056 -6.883) 6.884 ======================= Grid point 163 (26/69) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( -5.251 -3.032 -0.293) 6.070 3.315 ( 6.733 3.887 -2.617) 8.203 3.667 ( 7.255 4.189 21.004) 22.613 3.911 ( 5.593 3.229 3.242) 7.226 4.076 ( 2.869 1.656 -0.796) 3.407 4.226 ( -2.100 -1.212 -7.530) 7.911 4.231 ( -9.203 -5.313 -7.912) 13.248 4.343 ( -9.472 -5.469 -7.384) 13.196 4.971 ( -3.387 -1.955 4.423) 5.904 5.298 ( 7.847 4.531 -11.606) 14.725 5.524 ( 3.431 1.981 8.228) 9.132 5.661 ( -3.353 -1.936 3.506) 5.223 5.805 ( 0.117 0.067 -2.108) 2.112 5.931 ( -6.086 -3.514 -10.970) 13.028 6.258 ( 6.656 3.843 3.047) 8.267 6.279 ( -0.971 -0.561 -0.432) 1.202 6.495 ( -1.188 -0.686 7.813) 7.932 6.631 ( 6.552 3.783 4.264) 8.685 6.731 ( -1.554 -0.897 0.827) 1.975 6.819 ( 0.180 0.104 -1.650) 1.663 6.907 ( -0.081 -0.047 -1.016) 1.020 7.131 ( -0.437 -0.252 -7.118) 7.136 7.434 ( -2.220 -1.282 2.248) 3.410 7.438 ( 0.321 0.185 1.197) 1.253 7.577 ( -0.426 -0.246 1.102) 1.207 7.655 ( -4.044 -2.335 -0.917) 4.759 8.024 ( 2.550 1.472 5.379) 6.132 8.301 ( -2.190 -1.264 9.389) 9.724 8.448 ( -1.200 -0.693 1.153) 1.803 8.530 ( 2.837 1.638 -13.521) 13.912 8.739 ( 5.900 3.406 -1.583) 6.994 8.768 ( -3.390 -1.957 -2.170) 4.476 9.023 ( 0.482 0.278 5.289) 5.318 9.029 ( 0.852 0.492 2.590) 2.770 9.142 ( -2.101 -1.213 -0.887) 2.583 9.249 ( -6.160 -3.556 -5.297) 8.869 9.410 ( 9.026 5.211 3.786) 11.088 9.545 ( -3.370 -1.946 -3.415) 5.177 9.775 ( -0.289 -0.167 4.876) 4.887 9.936 ( -0.347 -0.200 0.711) 0.816 10.013 ( 5.340 3.083 -5.405) 8.200 10.027 ( -1.794 -1.036 1.850) 2.777 10.105 ( -2.317 -1.338 1.589) 3.112 10.281 ( -2.117 -1.222 -0.282) 2.460 10.385 ( -0.482 -0.278 3.294) 3.341 10.425 ( 0.000 0.000 5.835) 5.835 10.606 ( 2.265 1.308 -6.474) 6.983 10.756 ( -0.651 -0.376 -6.827) 6.868 11.250 ( 2.553 1.474 0.720) 3.035 11.303 ( -2.322 -1.341 -1.835) 3.249 11.331 ( -2.487 -1.436 4.029) 4.947 11.471 ( 3.636 2.099 -2.143) 4.714 11.519 ( -0.848 -0.490 1.835) 2.080 11.614 ( 0.425 0.245 -2.194) 2.248 12.237 ( 2.422 1.399 2.422) 3.700 12.266 ( -2.704 -1.561 0.976) 3.271 12.723 ( -2.933 -1.693 -1.210) 3.596 12.731 ( 3.600 2.078 -1.278) 4.348 12.815 ( 1.865 1.077 1.523) 2.637 12.823 ( -3.850 -2.223 1.704) 4.761 13.482 ( -4.406 -2.544 2.373) 5.614 13.497 ( 4.926 2.844 1.055) 5.785 13.924 ( 1.373 0.793 -1.400) 2.116 14.040 ( -5.003 -2.889 -3.848) 6.942 14.220 ( 1.977 1.141 2.158) 3.141 14.356 ( 4.428 2.557 -4.921) 7.097 14.412 ( -3.678 -2.124 9.503) 10.409 14.915 ( 5.916 3.415 -13.571) 15.194 15.077 ( -10.440 -6.027 -0.643) 12.072 15.100 ( 1.398 0.807 -1.195) 2.009 15.140 ( 12.101 6.986 2.401) 14.177 15.203 ( -6.639 -3.833 -0.945) 7.724 16.740 ( 3.564 2.058 6.800) 7.949 16.840 ( -3.467 -2.002 -0.399) 4.023 16.946 ( -5.690 -3.285 2.643) 7.082 16.987 ( 4.385 2.532 0.094) 5.065 17.245 ( -6.880 -3.972 7.926) 11.222 17.786 ( 8.220 4.746 -13.811) 16.758 18.741 ( -4.403 -2.542 1.914) 5.432 18.756 ( 2.694 1.555 0.225) 3.119 18.880 ( 3.318 1.916 4.841) 6.174 19.071 ( -3.302 -1.907 -3.923) 5.471 20.691 ( 2.256 1.302 3.693) 4.519 20.820 ( -1.483 -0.856 -2.055) 2.675 21.349 ( 1.199 0.692 2.618) 2.961 21.484 ( -1.619 -0.935 -3.138) 3.653 24.077 ( 2.140 1.235 0.842) 2.610 24.256 ( -1.194 -0.689 -5.575) 5.743 24.404 ( -1.812 -1.046 9.880) 10.099 24.734 ( 0.884 0.510 -5.687) 5.778 ======================= Grid point 165 (27/69) ======================= q-point: (-0.42 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -17.807 -10.281 -4.579) 21.065 3.223 ( -15.068 -8.700 7.414) 18.913 3.446 ( -19.217 -11.095 19.063) 29.254 3.963 ( -4.513 -2.605 -17.197) 17.969 3.996 ( -5.227 -3.018 -5.067) 7.881 4.135 ( 2.436 1.407 5.848) 6.489 4.272 ( 0.817 0.472 -4.049) 4.157 4.431 ( 12.142 7.010 -2.627) 14.265 4.988 ( 5.432 3.136 -0.088) 6.274 5.456 ( 5.584 3.224 -6.761) 9.343 5.520 ( -9.973 -5.758 -0.947) 11.555 5.525 ( -3.596 -2.076 10.623) 11.405 5.789 ( -2.374 -1.371 -0.367) 2.766 5.858 ( -0.816 -0.471 -4.728) 4.820 6.206 ( -6.365 -3.675 -5.567) 9.220 6.313 ( -2.628 -1.517 -0.253) 3.045 6.414 ( -9.218 -5.322 4.314) 11.485 6.642 ( -3.449 -1.991 11.305) 11.986 6.699 ( 1.762 1.017 2.402) 3.147 6.921 ( 6.417 3.705 -6.414) 9.800 6.925 ( 4.220 2.437 0.627) 4.913 7.186 ( 6.417 3.705 -6.238) 9.686 7.394 ( -2.518 -1.454 -0.117) 2.910 7.431 ( -0.269 -0.155 1.345) 1.380 7.625 ( 2.388 1.379 0.036) 2.758 7.651 ( 7.164 4.136 0.017) 8.272 8.113 ( 4.254 2.456 2.734) 5.621 8.225 ( -3.463 -1.999 8.165) 9.091 8.373 ( -5.077 -2.931 -0.608) 5.894 8.592 ( 1.517 0.876 -4.040) 4.404 8.698 ( -2.495 -1.440 -3.460) 4.502 8.858 ( 4.150 2.396 -1.762) 5.106 8.929 ( -4.415 -2.549 2.929) 5.880 8.994 ( -3.350 -1.934 3.117) 4.967 9.188 ( -0.487 -0.281 -3.353) 3.400 9.216 ( 4.771 2.755 0.518) 5.533 9.467 ( -2.185 -1.261 -5.464) 6.018 9.606 ( 7.179 4.145 3.032) 8.827 9.792 ( 1.842 1.064 4.615) 5.082 9.945 ( 2.957 1.707 0.807) 3.508 10.022 ( 1.305 0.754 0.770) 1.693 10.068 ( -0.761 -0.439 -0.008) 0.879 10.175 ( 7.565 4.368 -3.246) 9.319 10.266 ( 1.611 0.930 1.851) 2.624 10.410 ( -0.876 -0.506 4.544) 4.655 10.436 ( 4.430 2.558 0.646) 5.156 10.643 ( 1.155 0.667 -3.872) 4.095 10.712 ( -2.502 -1.445 -7.202) 7.760 11.285 ( -1.183 -0.683 2.269) 2.649 11.291 ( 1.041 0.601 -1.855) 2.211 11.329 ( 3.990 2.303 2.733) 5.356 11.509 ( 0.142 0.082 0.801) 0.818 11.571 ( 2.936 1.695 -2.094) 3.984 11.624 ( 2.500 1.443 -1.937) 3.476 12.253 ( 1.592 0.919 -1.353) 2.283 12.309 ( 2.926 1.690 6.915) 7.696 12.641 ( -3.402 -1.964 -2.649) 4.738 12.691 ( -5.785 -3.340 2.406) 7.100 12.859 ( 5.447 3.145 -1.784) 6.538 12.884 ( 3.912 2.259 1.716) 4.832 13.411 ( -2.018 -1.165 -3.724) 4.393 13.501 ( -3.463 -1.999 6.404) 7.550 13.957 ( 1.255 0.725 -0.501) 1.533 14.082 ( 7.348 4.242 -8.206) 11.804 14.280 ( 3.340 1.928 -2.581) 4.640 14.386 ( -1.459 -0.842 -2.059) 2.661 14.413 ( 3.623 2.092 13.414) 14.051 14.867 ( -9.203 -5.313 -1.079) 10.681 14.880 ( -6.766 -3.906 1.339) 7.927 15.109 ( 4.666 2.694 -10.522) 11.821 15.329 ( 11.403 6.584 -3.188) 13.548 15.389 ( 9.992 5.769 1.641) 11.654 16.707 ( -6.623 -3.824 13.416) 15.443 16.723 ( -6.760 -3.903 -2.194) 8.109 16.874 ( -0.693 -0.400 -2.287) 2.423 17.084 ( 3.870 2.234 2.470) 5.106 17.112 ( -4.859 -2.805 -2.375) 6.093 17.892 ( 1.117 0.645 -3.681) 3.900 18.624 ( -5.731 -3.309 -3.663) 7.564 18.756 ( -2.524 -1.458 4.351) 5.237 18.915 ( -0.154 -0.089 6.467) 6.470 18.948 ( -7.535 -4.350 -6.217) 10.693 20.631 ( -7.498 -4.329 5.641) 10.334 20.732 ( -5.789 -3.342 -4.378) 7.991 21.444 ( 6.644 3.836 3.662) 8.501 21.536 ( 5.913 3.414 -4.243) 8.038 24.156 ( 4.760 2.748 2.572) 6.068 24.272 ( 2.407 1.390 -6.840) 7.383 24.384 ( 0.126 0.072 8.460) 8.461 24.769 ( 2.204 1.272 -4.745) 5.384 ======================= Grid point 166 (28/69) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -25.725 -14.852 -5.018) 30.125 2.723 ( -27.713 -16.000 14.738) 35.230 3.023 ( -18.069 -10.432 16.100) 26.354 3.787 ( -7.932 -4.579 -32.784) 34.039 3.974 ( -0.487 -0.281 0.618) 0.835 4.119 ( -4.137 -2.389 12.750) 13.616 4.295 ( -0.481 -0.278 -8.432) 8.450 4.613 ( 4.344 2.508 1.522) 5.242 5.135 ( -1.121 -0.647 -2.440) 2.762 5.235 ( -14.284 -8.247 1.337) 16.548 5.442 ( -0.056 -0.033 8.369) 8.369 5.522 ( -21.894 -12.640 0.222) 25.282 5.535 ( -0.859 -0.496 -0.465) 1.095 5.771 ( -7.176 -4.143 -3.881) 9.150 6.052 ( -4.764 -2.751 -8.801) 10.379 6.155 ( -9.276 -5.356 5.665) 12.118 6.180 ( -8.250 -4.763 0.973) 9.576 6.595 ( -2.091 -1.207 5.826) 6.307 6.825 ( 8.342 4.816 6.532) 11.638 6.991 ( 4.389 2.534 -1.962) 5.435 7.157 ( 10.900 6.293 -7.073) 14.437 7.354 ( 1.535 0.886 3.305) 3.750 7.402 ( 9.247 5.339 -2.652) 11.002 7.460 ( 6.534 3.772 -3.193) 8.193 7.711 ( 3.402 1.964 -3.752) 5.432 7.885 ( 12.793 7.386 -1.053) 14.809 8.117 ( -1.170 -0.676 6.832) 6.964 8.247 ( -5.634 -3.253 -0.982) 6.580 8.288 ( 7.707 4.450 0.045) 8.899 8.548 ( -5.112 -2.952 4.007) 7.135 8.669 ( 0.267 0.154 -0.379) 0.488 8.817 ( -2.396 -1.384 4.453) 5.243 8.914 ( -3.501 -2.021 3.474) 5.330 9.027 ( 7.671 4.429 -8.460) 12.248 9.147 ( -4.092 -2.362 -2.444) 5.319 9.230 ( -2.327 -1.344 0.404) 2.717 9.543 ( 7.899 4.561 -4.179) 10.033 9.731 ( 5.017 2.896 3.957) 7.015 9.849 ( 2.615 1.510 4.438) 5.368 10.018 ( -0.453 -0.261 5.645) 5.669 10.065 ( 6.642 3.835 -0.805) 7.712 10.125 ( 4.803 2.773 -5.142) 7.563 10.298 ( 3.588 2.072 0.357) 4.158 10.359 ( 4.463 2.577 1.461) 5.357 10.429 ( 4.097 2.366 1.085) 4.854 10.544 ( 3.474 2.006 -4.534) 6.054 10.668 ( 1.536 0.887 1.592) 2.383 10.692 ( 2.602 1.502 -5.880) 6.603 11.297 ( 3.021 1.744 -0.268) 3.499 11.323 ( 1.262 0.729 -2.878) 3.226 11.430 ( 5.183 2.993 6.142) 8.576 11.531 ( 1.860 1.074 -1.378) 2.552 11.585 ( 0.771 0.445 1.099) 1.414 11.728 ( 3.761 2.171 -4.394) 6.177 12.308 ( -2.868 -1.656 11.835) 12.290 12.309 ( 1.922 1.110 -4.305) 4.844 12.576 ( -2.572 -1.485 0.569) 3.023 12.610 ( 0.595 0.343 -2.716) 2.801 12.982 ( 4.734 2.733 2.249) 5.911 12.983 ( 5.150 2.973 -1.811) 6.216 13.383 ( -0.995 -0.574 -8.473) 8.550 13.433 ( -1.645 -0.950 8.849) 9.050 13.979 ( 0.795 0.459 -2.535) 2.696 14.193 ( -2.617 -1.511 -0.740) 3.111 14.333 ( 0.766 0.442 -1.171) 1.468 14.380 ( 5.564 3.212 -8.237) 10.447 14.552 ( 8.056 4.651 15.458) 18.041 14.705 ( -4.622 -2.669 -2.435) 5.867 14.806 ( 0.578 0.333 2.860) 2.937 15.202 ( 3.620 2.090 -6.528) 7.752 15.577 ( 6.955 4.015 0.354) 8.038 15.595 ( 11.327 6.540 -4.455) 13.817 16.521 ( -9.247 -5.339 13.294) 17.051 16.544 ( -9.417 -5.437 -3.751) 11.503 16.855 ( -1.415 -0.817 -4.085) 4.400 17.029 ( -2.790 -1.611 -9.464) 9.998 17.141 ( 0.843 0.487 5.235) 5.325 17.840 ( -5.196 -3.000 7.941) 9.953 18.492 ( -6.637 -3.832 -11.817) 14.084 18.655 ( -6.139 -3.544 9.091) 11.528 18.765 ( -7.991 -4.614 -6.838) 11.485 18.883 ( -2.528 -1.460 6.044) 6.712 20.375 ( -15.431 -8.909 7.772) 19.439 20.579 ( -7.993 -4.615 -7.926) 12.166 21.620 ( 8.884 5.129 3.772) 10.930 21.711 ( 9.178 5.299 -4.255) 11.421 24.255 ( 2.888 1.667 7.881) 8.558 24.349 ( 4.145 2.393 -8.118) 9.424 24.425 ( 4.307 2.487 3.042) 5.830 24.827 ( 2.850 1.646 -3.748) 4.988 ======================= Grid point 167 (29/69) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -23.717 -13.693 -1.531) 27.429 2.074 ( -29.587 -17.082 21.041) 40.124 2.642 ( -16.616 -9.593 11.807) 22.529 3.585 ( -11.403 -6.583 -28.850) 31.713 3.926 ( -16.105 -9.298 13.450) 22.951 3.947 ( -3.746 -2.162 -0.413) 4.345 4.207 ( -6.164 -3.559 -19.679) 20.927 4.443 ( -35.856 -20.701 9.450) 42.468 4.752 ( -4.051 -2.339 3.209) 5.672 4.859 ( -21.506 -12.417 -5.142) 25.360 5.159 ( -11.050 -6.380 -0.518) 12.770 5.380 ( -6.119 -3.533 -2.146) 7.385 5.606 ( 5.364 3.097 -2.363) 6.629 5.720 ( -0.526 -0.304 5.677) 5.709 5.913 ( -11.973 -6.913 14.331) 19.913 5.995 ( 1.304 0.753 -10.003) 10.115 6.087 ( -1.043 -0.602 4.878) 5.024 6.492 ( -5.997 -3.463 -6.637) 9.592 7.033 ( 9.819 5.669 8.769) 14.334 7.130 ( 7.198 4.156 4.915) 9.656 7.353 ( 7.510 4.336 -2.016) 8.903 7.490 ( 7.901 4.562 2.297) 9.408 7.512 ( 5.385 3.109 -2.957) 6.885 7.760 ( 2.623 1.515 -4.692) 5.585 7.781 ( 16.612 9.591 -8.189) 20.857 8.096 ( 1.002 0.578 -3.676) 3.854 8.165 ( 5.596 3.231 0.222) 6.465 8.194 ( 4.001 2.310 -0.812) 4.691 8.446 ( -0.806 -0.465 8.817) 8.866 8.487 ( 9.381 5.416 -0.567) 10.847 8.714 ( 3.499 2.020 2.680) 4.848 8.803 ( 0.909 0.525 1.527) 1.853 8.847 ( -2.664 -1.538 3.673) 4.791 9.023 ( -5.721 -3.303 0.195) 6.609 9.139 ( -1.279 -0.738 -2.763) 3.133 9.212 ( 3.696 2.134 -6.490) 7.768 9.728 ( 6.735 3.888 -2.909) 8.303 9.837 ( 4.690 2.708 5.696) 7.859 9.869 ( 1.042 0.602 6.845) 6.950 10.087 ( 6.249 3.608 5.462) 9.050 10.211 ( 6.027 3.479 -2.039) 7.251 10.230 ( 4.123 2.380 -3.315) 5.801 10.313 ( -1.379 -0.796 0.817) 1.790 10.413 ( -0.226 -0.130 -5.063) 5.070 10.540 ( -2.263 -1.307 -9.953) 10.291 10.577 ( 5.877 3.393 0.514) 6.806 10.754 ( 8.424 4.863 8.694) 13.046 10.864 ( 11.064 6.388 -4.188) 13.445 11.326 ( -1.198 -0.692 -4.331) 4.546 11.435 ( 8.766 5.061 1.930) 10.305 11.565 ( 7.011 4.048 4.499) 9.262 11.587 ( 3.391 1.958 -3.805) 5.460 11.637 ( 2.667 1.540 1.639) 3.489 11.708 ( -4.840 -2.794 0.631) 5.624 12.261 ( -0.247 -0.143 12.555) 12.558 12.285 ( -2.648 -1.529 -9.504) 9.984 12.644 ( 7.444 4.298 -1.973) 8.819 12.654 ( 3.780 2.182 -0.170) 4.368 13.072 ( 2.807 1.621 -1.218) 3.463 13.076 ( 3.219 1.859 2.780) 4.642 13.334 ( -4.345 -2.509 -9.452) 10.701 13.415 ( -1.129 -0.652 7.794) 7.902 13.996 ( 1.017 0.587 -3.513) 3.704 14.053 ( -7.154 -4.130 4.494) 9.404 14.325 ( -0.780 -0.450 0.724) 1.155 14.533 ( 3.652 2.108 -7.050) 8.215 14.696 ( 6.145 3.548 -9.218) 11.633 14.727 ( 6.580 3.799 16.934) 18.560 14.897 ( 7.057 4.074 3.707) 8.952 15.276 ( 3.356 1.938 -5.392) 6.640 15.700 ( 4.284 2.473 -0.878) 5.024 15.793 ( 6.037 3.485 -3.080) 7.621 16.314 ( -10.825 -6.250 -5.129) 13.511 16.318 ( -8.765 -5.061 11.952) 15.661 16.788 ( -5.295 -3.057 -3.925) 7.265 17.003 ( 0.823 0.475 -13.890) 13.923 17.112 ( -3.441 -1.986 9.692) 10.475 17.693 ( -7.786 -4.495 9.036) 12.747 18.314 ( -8.888 -5.132 -10.531) 14.705 18.512 ( -6.039 -3.486 12.312) 14.149 18.625 ( -4.646 -2.682 -8.101) 9.716 18.808 ( -4.131 -2.385 4.334) 6.444 19.945 ( -23.624 -13.639 10.395) 29.192 20.373 ( -10.869 -6.275 -14.464) 19.150 21.825 ( 9.416 5.437 3.147) 11.319 21.919 ( 9.158 5.287 -3.450) 11.123 24.262 ( -1.870 -1.080 9.069) 9.323 24.433 ( 2.911 1.680 -9.759) 10.321 24.573 ( 8.118 4.687 0.634) 9.395 24.889 ( 2.622 1.514 -2.769) 4.103 ======================= Grid point 168 (30/69) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -12.580 -7.263 11.299) 18.402 1.460 ( -24.938 -14.398 28.365) 40.419 2.287 ( -15.091 -8.713 0.745) 17.441 3.064 ( -56.120 -32.401 8.459) 65.351 3.217 ( -23.222 -13.407 -22.733) 35.154 3.702 ( -17.358 -10.022 10.910) 22.821 3.880 ( -14.154 -8.172 27.658) 32.126 4.138 ( -0.390 -0.225 -21.116) 21.120 4.387 ( -16.113 -9.303 -38.442) 42.707 4.704 ( -5.819 -3.360 -6.406) 9.283 4.954 ( -5.622 -3.246 6.054) 8.877 5.344 ( -0.986 -0.569 0.193) 1.155 5.466 ( -16.709 -9.647 8.614) 21.129 5.594 ( -4.167 -2.406 -10.937) 11.948 5.856 ( 3.529 2.037 19.696) 20.114 6.037 ( -0.071 -0.041 2.511) 2.512 6.176 ( 8.506 4.911 -1.030) 9.875 6.387 ( -2.961 -1.709 -8.830) 9.469 7.235 ( 7.804 4.506 11.337) 14.482 7.266 ( 4.700 2.714 8.553) 10.130 7.474 ( 3.118 1.800 12.487) 12.996 7.648 ( 6.032 3.483 -4.329) 8.201 7.655 ( 7.248 4.184 -6.001) 10.298 7.855 ( 4.563 2.635 -2.617) 5.883 8.046 ( 3.513 2.028 -10.162) 10.941 8.127 ( 4.179 2.412 -10.845) 11.870 8.279 ( 8.534 4.927 3.288) 10.388 8.342 ( 9.704 5.603 -3.386) 11.706 8.597 ( 11.348 6.552 10.218) 16.616 8.664 ( 5.995 3.461 -1.170) 7.021 8.759 ( -2.401 -1.386 1.031) 2.958 8.822 ( -0.600 -0.346 -3.127) 3.203 8.842 ( 5.815 3.357 4.528) 8.099 8.968 ( 1.394 0.805 2.934) 3.346 9.068 ( -3.540 -2.044 -5.055) 6.501 9.285 ( 2.019 1.166 -5.963) 6.402 9.784 ( 1.228 0.709 2.269) 2.675 9.945 ( 4.731 2.731 6.054) 8.154 9.988 ( 6.712 3.875 6.828) 10.329 10.221 ( 3.675 2.121 4.940) 6.512 10.241 ( -4.186 -2.417 1.098) 4.957 10.297 ( 2.832 1.635 -0.933) 3.401 10.311 ( 2.136 1.233 -2.008) 3.181 10.394 ( -0.793 -0.458 -3.417) 3.537 10.494 ( -1.224 -0.707 -7.658) 7.787 10.617 ( -0.306 -0.177 -4.944) 4.957 11.034 ( 13.255 7.653 10.521) 18.573 11.122 ( 10.161 5.867 -6.552) 13.438 11.280 ( -1.814 -1.047 -4.809) 5.246 11.503 ( -6.496 -3.751 11.768) 13.955 11.598 ( 3.433 1.982 2.587) 4.734 11.697 ( 8.632 4.984 -3.754) 10.651 11.766 ( 10.698 6.176 -0.260) 12.355 11.788 ( 6.920 3.995 3.299) 8.645 12.267 ( 1.792 1.035 -11.125) 11.316 12.270 ( 0.607 0.350 8.887) 8.915 12.785 ( 7.209 4.162 1.887) 8.535 12.825 ( 7.408 4.277 -4.201) 9.530 13.105 ( -0.875 -0.505 2.124) 2.352 13.108 ( 0.264 0.153 -0.453) 0.546 13.171 ( -9.564 -5.522 -6.127) 12.630 13.341 ( -5.687 -3.283 4.205) 7.797 13.925 ( -3.918 -2.262 5.959) 7.481 14.051 ( 4.533 2.617 -5.061) 7.281 14.309 ( -0.737 -0.426 1.136) 1.420 14.542 ( -0.824 -0.476 -4.345) 4.448 14.788 ( -2.013 -1.162 16.576) 16.738 14.936 ( 12.099 6.986 -13.368) 19.336 15.099 ( 10.678 6.165 4.782) 13.224 15.363 ( 4.790 2.765 -6.692) 8.682 15.773 ( 2.593 1.497 -1.819) 3.504 15.856 ( -0.123 -0.071 -1.950) 1.955 16.100 ( -7.618 -4.398 -4.693) 9.971 16.146 ( -6.554 -3.784 9.954) 12.504 16.643 ( -6.502 -3.754 -0.256) 7.512 17.000 ( -6.266 -3.618 12.704) 14.621 17.037 ( 1.284 0.742 -13.480) 13.561 17.493 ( -10.194 -5.885 -0.125) 11.771 18.141 ( -6.089 -3.515 -0.115) 7.032 18.410 ( -2.989 -1.726 11.812) 12.306 18.546 ( -2.683 -1.549 -8.446) 8.997 18.706 ( -4.927 -2.845 1.691) 5.935 19.324 ( -32.087 -18.525 10.862) 38.610 20.067 ( -18.306 -10.569 -28.976) 35.867 22.024 ( 8.187 4.727 2.156) 9.696 22.102 ( 7.152 4.129 -2.248) 8.559 24.187 ( -4.563 -2.634 6.094) 8.056 24.455 ( -1.499 -0.865 -12.793) 12.909 24.751 ( 7.404 4.275 0.826) 8.589 24.936 ( 1.388 0.801 -2.489) 2.960 ======================= Grid point 169 (31/69) ======================= q-point: (-0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -16.860 -9.734 35.184) 40.211 1.219 ( -16.854 -9.731 31.200) 36.772 1.805 ( -40.882 -23.603 20.598) 51.505 2.056 ( -9.553 -5.515 -6.980) 13.053 2.575 ( -31.127 -17.971 -29.386) 46.426 3.354 ( -10.456 -6.037 26.343) 28.978 3.595 ( -12.735 -7.353 28.834) 32.367 4.140 ( 0.350 0.202 -19.434) 19.439 4.194 ( -3.237 -1.869 -59.244) 59.361 4.482 ( -12.875 -7.433 -18.643) 23.845 4.890 ( -2.307 -1.332 10.693) 11.019 5.049 ( -14.815 -8.553 11.771) 20.765 5.380 ( -0.369 -0.213 -7.542) 7.554 5.472 ( -6.846 -3.953 -15.429) 17.337 5.942 ( 3.347 1.933 20.879) 21.233 6.036 ( 0.274 0.158 4.159) 4.171 6.343 ( 5.653 3.264 -0.734) 6.569 6.359 ( 0.030 0.017 -4.054) 4.054 7.339 ( 2.114 1.221 10.371) 10.655 7.357 ( 3.001 1.732 12.366) 12.842 7.532 ( 2.501 1.444 13.613) 13.916 7.737 ( 1.698 0.980 -4.735) 5.124 7.752 ( 0.682 0.394 -6.865) 6.910 7.940 ( 3.614 2.087 7.014) 8.162 8.064 ( -0.097 -0.056 -8.166) 8.167 8.308 ( 14.232 8.217 -6.034) 17.507 8.518 ( 9.474 5.470 -5.081) 12.062 8.547 ( 7.286 4.207 -3.620) 9.159 8.703 ( -6.208 -3.584 -5.096) 8.795 8.707 ( -1.982 -1.144 -4.079) 4.677 8.757 ( 2.655 1.533 0.749) 3.156 8.871 ( 7.417 4.282 5.177) 10.007 8.973 ( 4.036 2.330 9.264) 10.370 9.012 ( -0.910 -0.525 -4.587) 4.706 9.117 ( 11.831 6.831 -2.039) 13.813 9.312 ( 0.439 0.254 -3.335) 3.374 9.849 ( 4.929 2.846 3.969) 6.938 9.987 ( -2.430 -1.403 4.321) 5.152 10.063 ( -0.604 -0.349 0.876) 1.120 10.148 ( -2.956 -1.707 -1.934) 3.923 10.227 ( 0.098 0.056 5.518) 5.519 10.347 ( 0.238 0.138 -0.794) 0.841 10.400 ( 3.491 2.015 -0.786) 4.106 10.406 ( 5.178 2.989 3.429) 6.893 10.467 ( -2.326 -1.343 0.681) 2.771 10.597 ( -1.695 -0.979 -5.781) 6.103 11.162 ( -0.994 -0.574 0.764) 1.379 11.221 ( 2.603 1.503 8.477) 8.994 11.367 ( 6.566 3.791 -8.308) 11.247 11.602 ( 20.143 11.630 28.763) 36.990 11.603 ( -2.244 -1.295 -6.154) 6.677 11.929 ( 11.351 6.554 2.548) 13.353 11.956 ( 8.474 4.892 3.139) 10.276 12.038 ( 12.110 6.992 0.826) 14.008 12.292 ( 1.037 0.599 6.520) 6.629 12.360 ( 6.031 3.482 -7.405) 10.165 12.830 ( -8.579 -4.953 -0.600) 9.924 12.907 ( 1.983 1.145 3.108) 3.861 13.053 ( -1.894 -1.094 0.307) 2.209 13.054 ( 1.744 1.007 0.008) 2.014 13.097 ( -1.171 -0.676 -0.125) 1.357 13.197 ( -5.986 -3.456 0.531) 6.932 13.886 ( 0.064 0.037 6.971) 6.971 14.200 ( 8.213 4.742 -6.789) 11.664 14.290 ( -0.556 -0.321 -0.555) 0.849 14.520 ( -1.115 -0.644 -4.799) 4.969 14.643 ( -9.493 -5.481 6.538) 12.764 15.052 ( -8.152 -4.707 -23.019) 24.869 15.350 ( 11.451 6.611 5.758) 14.421 15.524 ( 10.683 6.168 -4.113) 13.003 15.824 ( 1.964 1.134 -0.874) 2.430 15.835 ( 0.066 0.038 0.440) 0.446 15.970 ( -5.298 -3.059 -1.444) 6.285 16.011 ( -6.437 -3.717 3.973) 8.428 16.565 ( 1.200 0.693 8.434) 8.547 16.853 ( -6.477 -3.740 11.573) 13.779 17.045 ( -0.010 -0.006 -9.040) 9.040 17.267 ( -9.030 -5.213 -7.106) 12.618 18.034 ( -5.036 -2.907 6.435) 8.673 18.369 ( -1.397 -0.806 7.545) 7.715 18.505 ( -1.963 -1.133 -6.256) 6.654 18.600 ( -4.491 -2.593 -1.782) 5.484 18.612 ( -26.237 -15.148 3.832) 30.537 19.372 ( -53.957 -31.152 -59.854) 86.396 22.173 ( 4.860 2.806 1.234) 5.746 22.226 ( 3.816 2.203 -1.235) 4.576 24.082 ( -4.218 -2.436 2.237) 5.360 24.319 ( -12.368 -7.140 -17.087) 22.269 24.883 ( 4.185 2.416 0.668) 4.879 24.947 ( -0.136 -0.079 -1.888) 1.894 ======================= Grid point 171 (32/69) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -6.502 30.774 24.536) 39.892 1.494 ( 15.437 10.767 33.569) 38.486 2.299 ( 19.951 9.141 -18.795) 28.894 2.846 ( 38.757 52.505 14.351) 66.819 2.982 ( 10.065 33.810 -18.477) 39.822 3.359 ( -9.775 15.091 23.530) 29.613 3.952 ( 19.081 16.379 20.938) 32.723 4.227 ( 7.976 -1.565 -20.187) 21.762 4.299 ( 6.381 9.667 -46.676) 48.092 4.592 ( -1.358 10.308 -8.732) 13.577 4.988 ( 8.728 2.396 8.186) 12.204 5.259 ( 0.378 10.902 1.736) 11.046 5.327 ( -1.528 8.348 1.266) 8.581 5.657 ( 9.709 3.623 -8.767) 13.574 5.858 ( -4.784 -4.469 19.821) 20.874 6.042 ( 0.993 0.819 4.515) 4.695 6.236 ( -3.520 -7.511 -1.679) 8.463 6.372 ( 0.727 1.756 -7.594) 7.828 7.256 ( -4.995 -5.434 10.730) 13.024 7.324 ( 0.156 -5.046 10.058) 11.254 7.483 ( -2.344 -1.743 13.471) 13.784 7.654 ( -3.747 -4.475 -4.306) 7.254 7.729 ( -3.056 -5.903 -7.760) 10.217 7.904 ( 1.682 -4.897 1.410) 5.366 8.066 ( -2.413 -3.562 -7.075) 8.281 8.105 ( -6.778 -3.730 -8.940) 11.823 8.350 ( -5.392 -12.662 -2.526) 13.992 8.394 ( -5.370 -8.266 -4.454) 10.817 8.585 ( -11.235 -9.778 8.812) 17.306 8.697 ( -2.475 -2.277 0.323) 3.378 8.762 ( 3.431 1.604 -0.883) 3.889 8.838 ( 3.799 0.246 -2.359) 4.479 8.910 ( -6.069 -9.944 -0.076) 11.650 8.984 ( 0.227 -4.892 9.461) 10.653 9.007 ( -2.424 4.519 -7.277) 8.902 9.297 ( -2.442 0.373 -6.605) 7.052 9.857 ( 4.100 -4.161 4.231) 7.213 9.990 ( -0.357 -2.384 6.628) 7.053 10.004 ( -3.814 -1.548 3.716) 5.545 10.163 ( -3.813 2.186 1.751) 4.731 10.198 ( -0.413 -0.273 2.994) 3.035 10.298 ( -3.927 -4.934 0.002) 6.306 10.340 ( -0.739 -1.988 -0.439) 2.166 10.448 ( 3.042 0.848 -2.401) 3.967 10.502 ( 4.135 1.361 -3.527) 5.603 10.576 ( -3.863 -0.965 -7.361) 8.368 11.051 ( -8.251 -6.227 4.154) 11.141 11.241 ( -0.186 -10.048 -6.818) 12.144 11.301 ( 2.641 -1.711 2.891) 4.273 11.492 ( 3.951 4.224 15.154) 16.220 11.599 ( -5.530 -3.205 -7.223) 9.645 11.635 ( -11.508 -11.790 8.481) 18.530 11.827 ( -3.111 -10.360 -2.175) 11.034 11.951 ( -1.228 -4.110 -0.901) 4.384 12.176 ( -9.594 -0.234 3.668) 10.274 12.337 ( 4.736 -6.447 -5.945) 9.966 12.856 ( -7.420 -4.279 1.354) 8.672 12.885 ( -2.270 -7.262 1.879) 7.837 13.033 ( 2.211 0.614 -1.730) 2.874 13.099 ( 6.688 5.927 -3.934) 9.764 13.228 ( -1.181 7.943 0.448) 8.043 13.242 ( 8.667 6.349 -0.153) 10.745 13.879 ( -1.143 1.878 5.076) 5.531 14.132 ( 2.076 -9.786 -6.391) 11.872 14.324 ( 2.872 -0.699 3.036) 4.237 14.459 ( -8.677 -2.704 3.587) 9.771 14.700 ( -5.216 12.377 2.979) 13.757 15.123 ( 4.728 -13.926 -9.745) 17.642 15.140 ( -7.218 -10.877 5.043) 13.995 15.372 ( -4.954 -4.764 -6.629) 9.549 15.806 ( 0.429 -1.434 -0.107) 1.500 15.846 ( -1.507 4.479 -2.954) 5.573 16.048 ( -3.411 8.415 3.632) 9.780 16.109 ( 12.000 0.575 1.027) 12.057 16.659 ( 5.101 0.996 2.269) 5.671 16.923 ( 2.579 5.999 7.839) 10.202 17.082 ( 2.101 5.508 -7.389) 9.453 17.409 ( 4.902 11.528 -3.432) 12.988 18.112 ( -1.814 -2.450 3.972) 5.007 18.374 ( 4.084 6.131 6.107) 9.569 18.539 ( 2.011 4.270 -3.125) 5.660 18.672 ( 2.467 5.339 -0.165) 5.884 19.103 ( 16.691 33.216 8.270) 38.083 19.976 ( 15.673 22.053 -34.095) 43.525 22.068 ( -4.722 -7.536 1.690) 9.052 22.146 ( -3.199 -6.304 -1.756) 7.284 24.141 ( 0.842 4.405 4.188) 6.136 24.491 ( 7.358 3.651 -14.647) 16.793 24.811 ( -1.880 -6.253 1.684) 6.744 24.892 ( -5.868 -1.058 -1.981) 6.283 ======================= Grid point 172 (33/69) ======================= q-point: ( 0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 15.835 30.429 12.824) 36.621 1.938 ( 19.433 19.376 26.047) 37.835 2.729 ( 20.580 7.143 -15.219) 26.574 3.313 ( 4.842 17.906 -2.986) 18.788 3.403 ( -0.521 14.999 3.257) 15.357 4.042 ( 37.840 36.161 4.184) 52.508 4.366 ( 11.785 2.076 -6.440) 13.589 4.450 ( 21.594 14.550 7.158) 27.004 4.571 ( 8.479 12.278 -29.540) 33.094 4.669 ( 6.028 7.737 -0.864) 9.846 5.169 ( 2.617 -0.749 3.235) 4.228 5.189 ( 0.268 2.753 1.608) 3.200 5.543 ( 3.934 14.018 1.806) 14.671 5.714 ( -3.329 -2.454 7.473) 8.541 5.782 ( -1.493 -0.075 4.439) 4.684 6.078 ( 0.015 1.014 6.361) 6.441 6.191 ( 6.129 2.802 -2.551) 7.206 6.403 ( -0.722 3.213 -9.437) 9.995 7.082 ( -8.105 -7.126 8.626) 13.815 7.280 ( 0.838 -5.249 7.953) 9.566 7.407 ( -6.884 -0.453 7.810) 10.421 7.530 ( -5.959 -5.347 -4.865) 9.368 7.559 ( -5.685 -9.378 -5.626) 12.326 7.814 ( -12.645 -3.709 -7.412) 15.119 7.935 ( 2.928 -3.957 -0.099) 4.923 8.039 ( -3.512 -5.831 -7.484) 10.117 8.128 ( -5.352 -12.017 -0.065) 13.155 8.289 ( -1.133 -1.512 -4.191) 4.598 8.410 ( -0.230 -5.815 5.924) 8.305 8.609 ( -5.126 -6.402 0.153) 8.203 8.685 ( -5.817 -1.956 2.482) 6.620 8.800 ( -3.992 -1.923 0.944) 4.531 8.878 ( -2.375 -7.235 7.742) 10.859 8.962 ( 6.378 5.408 2.869) 8.840 9.044 ( 0.206 3.115 -5.591) 6.404 9.250 ( -3.715 1.634 -8.484) 9.405 9.808 ( -7.234 -0.382 1.591) 7.416 9.917 ( 0.131 -7.045 4.550) 8.388 10.003 ( 0.874 2.221 9.827) 10.112 10.110 ( -7.210 1.116 1.208) 7.395 10.173 ( 2.741 -5.717 2.245) 6.726 10.211 ( -2.100 -1.601 0.829) 2.768 10.351 ( 0.937 2.102 -5.635) 6.086 10.426 ( -2.744 -1.222 -4.007) 5.008 10.460 ( -5.535 -3.863 -9.331) 11.516 10.620 ( 5.955 -0.449 -3.556) 6.951 10.809 ( -10.329 -8.824 5.220) 14.554 11.079 ( -4.896 -13.638 -4.441) 15.156 11.248 ( -12.686 -8.020 3.649) 15.446 11.372 ( 4.058 -4.334 1.434) 6.108 11.490 ( -3.609 -8.258 1.457) 9.129 11.646 ( -0.469 -0.339 -3.716) 3.761 11.796 ( 7.409 9.031 5.037) 12.721 11.899 ( -6.421 4.024 1.031) 7.647 12.001 ( -10.092 1.037 0.467) 10.156 12.380 ( 7.918 -7.739 -2.927) 11.452 12.692 ( -6.770 -5.040 0.956) 8.493 12.714 ( -5.546 -7.895 -0.698) 9.673 13.096 ( 0.689 1.743 0.694) 1.998 13.142 ( -1.777 0.433 -1.441) 2.329 13.258 ( -2.943 5.006 -1.250) 5.940 13.517 ( 13.944 1.569 -2.896) 14.328 13.899 ( 1.228 2.508 1.477) 3.159 14.084 ( 3.181 -9.205 -1.300) 9.826 14.234 ( -11.752 -3.923 6.429) 13.958 14.369 ( 4.789 -2.696 3.909) 6.744 14.669 ( -9.913 6.168 -5.899) 13.082 14.947 ( -3.258 -16.332 -0.102) 16.654 14.991 ( -4.258 -1.769 6.285) 7.795 15.279 ( -4.290 -1.727 -6.324) 7.834 15.766 ( -4.746 -0.041 0.544) 4.777 15.883 ( -2.056 4.605 -2.610) 5.679 16.084 ( 2.041 5.241 1.305) 5.774 16.369 ( 18.360 -0.204 1.737) 18.443 16.704 ( 1.019 0.461 0.358) 1.175 17.008 ( 4.542 -1.359 -8.859) 10.048 17.228 ( 0.571 14.549 4.198) 15.153 17.636 ( 9.185 9.036 4.016) 13.496 17.979 ( -4.964 -5.052 2.668) 7.568 18.502 ( 5.060 0.119 -8.039) 9.499 18.703 ( 6.260 13.217 5.604) 15.661 18.789 ( 5.221 6.755 1.917) 8.750 19.683 ( 18.365 23.526 8.763) 31.106 20.335 ( 10.793 10.379 -15.719) 21.709 21.886 ( -7.755 -7.917 1.934) 11.250 22.005 ( -5.510 -7.589 -2.255) 9.646 24.170 ( -1.216 1.655 4.663) 5.095 24.599 ( 4.535 -3.173 -7.873) 9.624 24.718 ( -1.856 -4.663 1.747) 5.314 24.750 ( -8.590 -2.656 -2.733) 9.397 ======================= Grid point 173 (34/69) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 24.926 25.786 6.409) 36.432 2.483 ( 19.894 25.092 17.114) 36.308 3.084 ( 11.299 11.096 -4.142) 16.369 3.525 ( 5.508 8.136 -8.913) 13.266 3.573 ( 5.465 13.817 -0.071) 14.858 4.415 ( 6.210 -1.081 -7.718) 9.965 4.551 ( -0.766 -2.391 1.810) 3.095 4.758 ( 10.531 -0.520 -11.295) 15.451 5.012 ( 6.149 0.314 2.621) 6.692 5.087 ( 20.724 10.378 0.830) 23.193 5.181 ( 17.929 20.893 4.034) 27.825 5.323 ( 4.963 6.551 0.749) 8.252 5.546 ( -7.932 -8.397 4.220) 12.298 5.691 ( 3.736 1.324 -0.989) 4.085 5.889 ( 6.091 19.057 2.366) 20.146 6.129 ( 4.286 4.510 3.623) 7.200 6.346 ( -2.484 3.199 -8.997) 9.867 6.432 ( 4.244 9.063 4.409) 10.936 6.875 ( -8.111 -6.203 6.587) 12.151 7.160 ( -9.177 -6.371 0.681) 11.192 7.323 ( -5.346 -0.571 2.112) 5.777 7.366 ( -0.380 -7.970 -1.406) 8.102 7.409 ( -5.785 -3.253 -6.116) 9.025 7.567 ( -12.538 0.803 -2.420) 12.794 7.881 ( -7.108 -4.545 2.416) 8.776 7.899 ( -5.842 -5.939 -6.309) 10.450 8.058 ( 8.101 -7.161 2.108) 11.016 8.284 ( 0.707 -0.886 -2.227) 2.499 8.387 ( 1.334 -8.811 -3.157) 9.454 8.471 ( 2.870 -6.736 -0.217) 7.325 8.564 ( -8.924 -4.649 11.131) 15.005 8.741 ( -2.304 6.280 1.176) 6.792 8.817 ( 1.260 0.073 3.659) 3.871 9.048 ( 1.455 0.471 -5.408) 5.620 9.147 ( 5.359 3.557 0.443) 6.447 9.210 ( -2.747 3.365 -3.868) 5.816 9.682 ( -7.532 1.342 -1.675) 7.832 9.863 ( 0.168 -6.369 6.047) 8.783 9.931 ( -11.279 2.610 1.243) 11.644 10.064 ( -1.886 -1.039 4.731) 5.198 10.095 ( -3.575 -1.737 2.690) 4.800 10.187 ( -1.991 -1.020 -0.905) 2.413 10.324 ( -3.953 -4.950 -1.101) 6.430 10.386 ( 0.359 0.192 -10.973) 10.981 10.412 ( 1.301 0.535 -1.568) 2.107 10.573 ( -6.899 -3.882 4.129) 8.928 10.694 ( 2.178 -2.020 -3.901) 4.903 10.801 ( -12.675 -7.492 -0.176) 14.725 11.075 ( 2.276 -13.053 1.851) 13.379 11.314 ( 1.445 -13.387 1.521) 13.551 11.453 ( 1.999 -0.137 1.596) 2.562 11.545 ( -5.602 -3.264 -7.098) 9.614 11.773 ( -11.343 5.108 1.640) 12.547 11.880 ( -10.239 7.669 0.544) 12.804 12.067 ( 8.741 5.754 4.502) 11.392 12.438 ( 5.271 -5.552 0.043) 7.656 12.538 ( -1.140 -7.268 -0.242) 7.361 12.619 ( 0.320 -4.525 -1.071) 4.661 13.055 ( -6.652 1.960 -0.917) 6.996 13.090 ( -3.815 -2.187 0.500) 4.426 13.235 ( -2.872 2.317 -0.640) 3.745 13.656 ( 4.800 -6.130 -1.151) 7.870 13.964 ( 3.993 -0.896 -1.350) 4.309 14.029 ( -4.626 -0.941 0.476) 4.745 14.089 ( 3.734 -7.620 2.409) 8.821 14.420 ( 2.083 -5.615 4.016) 7.211 14.551 ( -2.920 0.206 -5.310) 6.063 14.769 ( -1.274 -10.222 2.769) 10.667 14.930 ( -6.158 5.266 4.334) 9.189 15.190 ( -6.391 2.144 -6.012) 9.033 15.652 ( -7.060 -2.946 1.695) 7.836 15.809 ( -12.918 6.912 -3.088) 14.973 16.231 ( 11.556 -0.788 1.569) 11.689 16.690 ( 16.973 3.542 3.223) 17.635 16.733 ( 3.563 -1.833 -1.336) 4.224 17.070 ( 7.036 -4.677 -13.809) 16.188 17.303 ( -6.798 11.811 2.133) 13.794 17.701 ( -8.746 2.699 18.641) 20.767 18.051 ( 18.057 -3.525 -5.153) 19.106 18.571 ( 4.757 -2.159 -8.713) 10.160 18.900 ( 1.354 14.477 3.078) 14.862 18.999 ( 6.299 14.623 3.030) 16.207 20.139 ( 14.362 14.856 6.172) 21.565 20.571 ( 7.938 7.126 -7.031) 12.777 21.674 ( -8.712 -6.797 1.659) 11.173 21.827 ( -6.582 -8.206 -2.353) 10.780 24.137 ( -2.939 -0.557 3.574) 4.660 24.547 ( -4.612 -5.864 3.769) 8.358 24.579 ( -5.797 -5.313 -1.736) 8.053 24.697 ( 1.716 -2.344 -6.860) 7.449 ======================= Grid point 174 (35/69) ======================= q-point: ( 0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 23.649 19.093 3.673) 30.615 3.050 ( 16.817 26.634 8.947) 32.745 3.312 ( 3.153 11.786 3.631) 12.730 3.679 ( 7.408 5.253 -6.372) 11.094 3.839 ( 7.728 14.368 -2.821) 16.557 4.399 ( -2.163 -7.653 -3.737) 8.787 4.492 ( -2.679 -4.183 0.469) 4.990 4.748 ( -6.423 -5.933 -2.437) 9.077 5.067 ( 5.389 3.837 -9.709) 11.748 5.226 ( -4.267 -7.290 1.633) 8.603 5.336 ( -1.482 -4.980 5.907) 7.867 5.571 ( 10.159 4.259 -0.260) 11.018 5.656 ( 17.224 6.899 4.167) 19.016 5.775 ( 7.103 -6.459 -0.020) 9.601 6.161 ( -4.525 9.075 -9.561) 13.937 6.284 ( 2.224 9.603 -4.090) 10.672 6.315 ( 7.263 9.796 5.785) 13.497 6.605 ( 2.742 9.890 8.708) 13.459 6.731 ( -4.098 -0.957 5.620) 7.021 6.975 ( -5.759 -3.508 -4.620) 8.174 7.136 ( -11.527 0.818 0.970) 11.597 7.258 ( -7.926 -0.163 -7.325) 10.794 7.402 ( 1.808 -0.565 0.505) 1.961 7.483 ( -0.254 2.676 3.774) 4.634 7.727 ( -7.624 -6.433 -2.730) 10.343 7.731 ( -3.485 -4.725 -4.304) 7.280 8.075 ( -0.949 -6.448 11.040) 12.820 8.251 ( 4.018 -8.486 -0.118) 9.390 8.356 ( -5.398 -6.651 6.841) 10.962 8.408 ( 5.929 -2.532 -12.689) 14.233 8.519 ( 6.633 -4.711 1.950) 8.366 8.836 ( 1.725 9.247 1.650) 9.550 8.879 ( 3.339 2.307 2.817) 4.941 9.096 ( 4.916 -1.382 -2.552) 5.709 9.167 ( -5.273 11.543 -1.750) 12.811 9.291 ( 3.571 3.423 -0.905) 5.029 9.566 ( -10.283 1.597 -3.947) 11.130 9.720 ( -7.348 -1.840 3.083) 8.178 9.860 ( -2.748 1.722 4.830) 5.817 9.948 ( -5.272 -2.065 1.752) 5.927 10.042 ( -3.676 -2.500 -0.521) 4.476 10.123 ( -4.542 1.316 0.941) 4.822 10.233 ( -2.691 -3.525 1.689) 4.746 10.376 ( -2.321 -0.306 -6.668) 7.067 10.427 ( -0.793 1.540 2.456) 3.005 10.494 ( -0.700 -1.528 -0.824) 1.872 10.590 ( -7.646 0.544 1.375) 7.788 10.711 ( 2.349 -0.862 -5.523) 6.063 11.028 ( 7.997 -15.163 0.541) 17.151 11.224 ( 2.068 -12.621 2.379) 13.009 11.460 ( -0.282 -1.584 -4.888) 5.146 11.489 ( 1.182 1.868 0.233) 2.223 11.652 ( -7.924 3.126 -0.680) 8.545 11.768 ( -12.186 7.827 1.549) 14.566 12.168 ( 2.276 -1.180 2.591) 3.645 12.370 ( -2.728 -6.120 3.896) 7.750 12.569 ( 5.380 -3.783 -1.050) 6.660 12.637 ( 5.782 -3.101 -0.223) 6.565 12.944 ( -7.057 0.219 -2.154) 7.382 12.986 ( -5.525 -2.248 0.067) 5.965 13.245 ( 3.538 -0.232 0.305) 3.558 13.593 ( -1.433 -9.725 1.654) 9.968 13.910 ( -1.494 -5.117 -1.656) 5.582 14.067 ( 5.313 -3.256 0.584) 6.259 14.130 ( 6.644 -5.371 -3.545) 9.249 14.289 ( -5.593 -4.609 1.025) 7.319 14.568 ( 1.430 -6.141 4.529) 7.763 14.775 ( 5.592 5.775 0.132) 8.040 14.897 ( -4.394 8.208 2.495) 9.638 15.124 ( -5.011 5.265 -8.469) 11.160 15.482 ( -8.498 -5.388 2.203) 10.300 15.609 ( -17.578 5.140 -3.873) 18.719 16.415 ( 12.817 -4.360 3.848) 14.074 16.785 ( 5.106 -2.092 0.017) 5.518 16.917 ( 3.342 4.562 0.516) 5.679 17.196 ( 10.887 -3.608 -3.217) 11.912 17.257 ( -4.310 3.679 -6.791) 8.845 17.562 ( -7.362 -0.375 13.959) 15.786 18.315 ( 17.479 -6.821 -1.947) 18.864 18.618 ( 4.351 -4.214 -7.300) 9.486 19.043 ( -2.154 16.149 6.055) 17.381 19.224 ( -0.490 20.699 -1.128) 20.736 20.456 ( 10.106 9.244 4.113) 14.300 20.743 ( 5.337 5.543 -2.762) 8.176 21.481 ( -7.482 -4.688 1.024) 8.888 21.640 ( -6.136 -7.992 -2.178) 10.308 24.081 ( -2.282 -1.132 2.178) 3.351 24.389 ( -6.716 -3.872 -2.539) 8.158 24.468 ( -1.823 -6.337 6.928) 9.564 24.695 ( 1.540 -3.696 -6.927) 8.001 ======================= Grid point 175 (36/69) ======================= q-point: ( 0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 9.638 9.943 2.617) 14.093 3.402 ( -2.087 17.128 -5.506) 18.112 3.539 ( 13.327 10.820 15.306) 22.999 3.863 ( 6.538 7.001 1.663) 9.722 4.046 ( 2.345 6.610 -0.731) 7.052 4.275 ( -4.307 -4.634 -3.977) 7.473 4.360 ( -7.206 -1.712 -4.927) 8.896 4.508 ( -14.357 -4.654 -5.537) 16.076 5.033 ( -6.641 -3.356 6.859) 10.120 5.232 ( 5.622 5.461 -12.842) 15.045 5.354 ( 10.041 -9.211 5.695) 14.768 5.651 ( 3.342 -6.782 1.189) 7.654 5.766 ( 2.207 -2.319 -4.667) 5.660 5.890 ( -1.274 -8.159 -3.994) 9.173 6.098 ( 6.618 2.821 3.541) 8.019 6.377 ( -2.168 3.930 -2.959) 5.376 6.535 ( 3.004 9.519 6.081) 11.688 6.700 ( 2.861 -2.097 4.413) 5.661 6.734 ( -2.933 14.745 5.209) 15.911 6.899 ( -4.742 3.521 -5.957) 8.389 6.990 ( -7.596 5.567 1.643) 9.560 7.203 ( -3.763 4.351 -8.250) 10.057 7.403 ( 1.367 -2.455 1.222) 3.064 7.491 ( -3.561 1.234 2.690) 4.630 7.568 ( -1.860 -5.348 1.619) 5.889 7.686 ( -0.719 -2.169 -5.622) 6.069 7.964 ( -0.704 -5.908 12.568) 13.905 8.222 ( 2.693 -10.203 4.025) 11.294 8.304 ( 5.707 -8.902 -0.344) 10.580 8.470 ( 3.493 -0.769 -11.271) 11.825 8.602 ( 5.960 -1.203 1.734) 6.323 8.885 ( -1.005 0.829 -3.932) 4.142 8.954 ( 3.196 2.261 5.621) 6.851 9.179 ( 0.382 6.981 2.833) 7.544 9.238 ( -4.044 10.524 -2.612) 11.573 9.334 ( -2.699 1.016 -4.177) 5.075 9.417 ( -5.150 8.437 0.410) 9.894 9.598 ( -7.800 -2.086 -0.697) 8.104 9.821 ( -3.119 2.144 5.675) 6.821 9.917 ( 1.668 0.553 2.329) 2.917 9.989 ( -1.344 2.911 -0.201) 3.213 10.081 ( -1.270 0.601 -2.054) 2.489 10.154 ( -4.717 0.175 1.207) 4.872 10.309 ( -3.543 -1.374 -1.595) 4.122 10.408 ( -2.686 0.806 0.121) 2.807 10.481 ( -1.538 2.890 4.446) 5.522 10.551 ( 1.130 -0.781 -3.048) 3.343 10.759 ( 2.440 0.810 -6.439) 6.934 11.048 ( 10.206 -12.237 0.031) 15.934 11.131 ( 1.798 -12.563 0.771) 12.715 11.499 ( 3.367 -0.786 0.927) 3.580 11.532 ( -0.738 8.037 -0.384) 8.080 11.566 ( -5.928 3.657 -2.165) 7.294 11.643 ( -7.108 1.644 -0.201) 7.298 12.176 ( 2.602 -3.381 2.305) 4.849 12.270 ( -2.045 -5.662 2.707) 6.601 12.634 ( 6.107 -1.857 -0.683) 6.420 12.686 ( 3.102 -4.154 0.179) 5.188 12.854 ( -3.802 1.393 -0.613) 4.096 12.875 ( -4.758 -2.589 0.838) 5.481 13.339 ( 9.440 -4.565 -0.562) 10.501 13.474 ( -0.884 -8.909 0.878) 8.995 13.852 ( 1.400 -7.250 1.271) 7.493 14.059 ( -2.096 -8.599 -4.998) 10.165 14.117 ( 5.418 -4.471 4.223) 8.197 14.299 ( 4.360 -0.694 -3.378) 5.559 14.510 ( -4.578 3.394 8.219) 10.002 14.904 ( 1.192 7.366 -8.885) 11.603 15.027 ( 8.369 9.395 1.635) 12.688 15.146 ( 0.388 7.901 -5.503) 9.636 15.268 ( -10.929 -4.791 1.840) 12.074 15.351 ( -16.667 2.814 -2.810) 17.135 16.552 ( 10.946 -9.274 6.195) 15.627 16.857 ( 5.833 -2.762 1.497) 6.625 16.938 ( -2.683 1.856 -4.884) 5.873 17.114 ( -11.437 4.873 2.977) 12.784 17.320 ( -2.527 -1.806 8.613) 9.156 17.572 ( 13.767 -4.707 -6.375) 15.884 18.475 ( 12.215 -11.703 -0.765) 16.933 18.629 ( 2.919 -6.217 -6.555) 9.494 19.123 ( -7.043 15.994 8.361) 19.374 19.358 ( -8.966 22.692 -3.516) 24.651 20.654 ( 5.210 4.857 3.884) 8.113 20.841 ( 0.614 3.299 -1.438) 3.651 21.359 ( -2.662 -1.446 0.882) 3.155 21.490 ( -2.951 -6.016 -2.463) 7.139 24.055 ( 0.497 -0.528 1.520) 1.684 24.277 ( -2.877 -2.136 -4.523) 5.771 24.394 ( -0.525 -4.954 8.877) 10.179 24.688 ( 2.416 -4.046 -6.101) 7.709 ======================= Grid point 176 (37/69) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( -13.514 3.108 -0.162) 13.868 3.397 ( -13.884 -0.446 3.872) 14.421 3.680 ( -7.683 2.200 13.523) 15.708 3.985 ( -0.041 -0.020 5.458) 5.459 4.019 ( -3.634 -2.744 -4.175) 6.178 4.148 ( -3.418 -0.816 -9.309) 9.950 4.325 ( -3.654 3.089 -4.616) 6.649 4.369 ( 2.390 10.548 -5.803) 12.274 4.956 ( 0.055 0.152 2.473) 2.479 5.366 ( 7.060 -1.013 -4.621) 8.499 5.457 ( 7.752 -4.154 4.692) 9.968 5.621 ( -2.506 -3.090 2.143) 4.519 5.655 ( -1.011 -17.364 -8.799) 19.492 5.827 ( 1.929 1.691 -1.119) 2.798 6.265 ( 4.356 4.477 3.591) 7.205 6.319 ( -5.338 -4.145 -4.950) 8.377 6.596 ( -2.051 6.034 8.226) 10.406 6.687 ( -4.598 0.689 1.265) 4.819 6.786 ( -7.235 8.610 6.303) 12.892 6.905 ( 0.649 4.968 -5.113) 7.159 6.974 ( -2.650 8.021 0.257) 8.451 7.176 ( -1.107 2.429 -7.672) 8.124 7.421 ( 1.945 -0.101 1.448) 2.427 7.444 ( -3.503 1.994 -0.250) 4.039 7.552 ( 4.056 -1.957 1.116) 4.640 7.640 ( -1.070 0.783 1.237) 1.813 7.983 ( 7.603 -6.132 4.751) 10.862 8.169 ( 2.044 -8.104 4.161) 9.336 8.301 ( 4.376 -9.549 -0.354) 10.509 8.518 ( 3.075 -2.088 -1.047) 3.862 8.665 ( 3.398 -0.690 -6.111) 7.026 8.865 ( -1.396 -1.982 -3.826) 4.530 8.998 ( -2.745 1.808 9.388) 9.947 9.135 ( -6.536 0.646 -2.342) 6.972 9.242 ( -3.367 11.852 -0.454) 12.329 9.312 ( -6.973 8.455 -3.291) 11.443 9.424 ( -1.674 -4.620 -0.305) 4.924 9.589 ( 4.519 9.480 -0.445) 10.511 9.811 ( -1.362 3.558 5.014) 6.297 9.952 ( 2.877 -1.801 2.980) 4.517 9.997 ( -3.581 4.941 0.940) 6.174 10.103 ( -0.873 2.844 -0.759) 3.071 10.129 ( 3.530 3.000 -3.222) 5.643 10.264 ( -0.779 0.697 0.193) 1.063 10.402 ( 0.375 2.561 0.452) 2.627 10.471 ( -2.731 2.697 4.635) 6.018 10.570 ( 3.252 -3.495 -4.233) 6.380 10.773 ( -2.073 0.804 -5.890) 6.295 11.070 ( 6.670 -13.638 -0.327) 15.186 11.118 ( 9.467 -8.557 1.191) 12.817 11.480 ( -0.700 -2.570 1.006) 2.847 11.484 ( -7.857 4.308 -0.643) 8.984 11.616 ( 1.031 1.681 -1.916) 2.750 11.677 ( 2.938 13.305 -0.418) 13.632 12.208 ( 4.220 -3.504 2.844) 6.179 12.225 ( 3.017 -2.972 2.353) 4.844 12.643 ( -1.341 -5.669 -2.115) 6.198 12.679 ( 0.115 -6.535 1.900) 6.806 12.819 ( 2.205 2.672 -0.609) 3.518 12.877 ( 2.026 3.932 0.579) 4.461 13.402 ( 1.630 -4.820 -1.984) 5.461 13.434 ( 5.857 -7.544 2.300) 9.824 13.825 ( 5.507 -7.742 1.859) 9.681 14.004 ( 2.670 -4.129 -4.154) 6.437 14.168 ( 5.825 -4.210 2.424) 7.584 14.330 ( 2.204 -2.983 -3.119) 4.846 14.499 ( -3.034 6.476 7.527) 10.383 14.961 ( -3.613 0.889 -8.678) 9.442 15.021 ( -11.289 -3.988 1.673) 12.089 15.147 ( -5.070 7.160 -3.843) 9.578 15.254 ( 4.771 9.676 0.255) 10.791 15.351 ( 8.156 13.567 -2.696) 16.058 16.588 ( 6.930 -14.440 8.690) 18.222 16.847 ( -5.752 -3.701 -4.879) 8.402 16.907 ( -2.601 0.770 -0.822) 2.834 16.992 ( -3.248 -1.867 5.917) 7.004 17.258 ( -4.391 6.117 0.355) 7.538 17.761 ( 12.230 -5.293 -0.398) 13.332 18.484 ( 4.577 -15.865 -0.991) 16.542 18.607 ( 2.693 -7.023 -6.934) 10.230 19.113 ( -10.781 13.142 8.425) 18.972 19.349 ( -16.814 19.963 -3.438) 26.326 20.694 ( -3.331 -0.920 5.290) 6.319 20.813 ( -5.450 0.222 -2.863) 6.160 21.381 ( 4.381 2.248 1.919) 5.285 21.461 ( 4.268 -1.236 -3.504) 5.659 24.091 ( 3.935 0.070 2.041) 4.433 24.261 ( 1.299 1.536 -5.978) 6.307 24.357 ( 1.095 -3.529 8.941) 9.674 24.704 ( 4.035 -3.511 -5.234) 7.484 ======================= Grid point 177 (38/69) ======================= q-point: (-0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( -28.883 -0.665 -3.021) 29.049 2.984 ( -23.491 -13.994 15.026) 31.200 3.375 ( -26.665 1.409 9.933) 28.490 3.830 ( -5.096 -8.042 -22.034) 24.003 3.994 ( -2.066 1.118 3.456) 4.179 4.187 ( -0.339 4.091 2.422) 4.766 4.315 ( -2.000 2.296 -2.763) 4.112 4.550 ( 6.812 4.149 -2.932) 8.497 5.045 ( 7.728 1.716 -2.202) 8.217 5.335 ( -10.701 -12.973 -1.977) 16.933 5.405 ( 3.321 -5.554 4.208) 7.720 5.534 ( 1.788 1.489 1.905) 3.007 5.685 ( 2.799 -5.312 -0.548) 6.029 5.780 ( -10.976 -4.762 -0.011) 11.964 6.140 ( -5.080 -7.123 -4.600) 9.885 6.262 ( -11.377 3.283 -2.945) 12.202 6.487 ( -17.782 7.154 2.663) 19.351 6.665 ( -4.959 3.505 8.523) 10.465 6.730 ( 4.401 0.970 6.039) 7.535 6.968 ( 3.022 3.091 -4.448) 6.203 7.066 ( 4.555 5.690 -4.519) 8.576 7.284 ( 8.546 4.545 -3.533) 10.304 7.407 ( -2.309 5.650 3.783) 7.181 7.443 ( -0.487 1.658 -0.486) 1.795 7.641 ( 6.643 0.604 -3.378) 7.477 7.760 ( 9.996 6.579 -0.363) 11.972 8.028 ( 5.336 -8.460 5.701) 11.513 8.182 ( 6.242 -1.434 -0.266) 6.410 8.268 ( 0.514 -6.050 -0.080) 6.072 8.490 ( -0.499 -7.305 1.767) 7.532 8.716 ( -0.167 0.714 -4.595) 4.654 8.797 ( 2.364 -7.638 1.296) 8.100 8.907 ( -7.593 1.832 6.496) 10.160 9.106 ( -0.422 1.901 -3.256) 3.793 9.218 ( -7.402 4.028 -2.195) 8.708 9.265 ( -4.058 2.514 -1.467) 4.994 9.484 ( 4.862 5.588 -2.558) 7.836 9.722 ( 2.764 7.043 2.617) 8.006 9.848 ( 1.910 4.744 3.651) 6.284 9.973 ( 1.760 0.545 2.465) 3.077 10.069 ( 0.588 4.261 2.572) 5.012 10.095 ( 1.361 3.144 -2.045) 3.990 10.233 ( 5.567 0.751 -0.367) 5.629 10.325 ( 3.678 4.650 -2.166) 6.312 10.418 ( -0.569 1.317 1.945) 2.417 10.507 ( 3.593 3.810 -1.069) 5.345 10.595 ( 3.573 -2.215 -2.197) 4.743 10.725 ( -2.451 -0.817 -3.587) 4.421 11.092 ( 10.092 -10.975 -1.034) 14.945 11.187 ( 8.838 -8.373 3.463) 12.658 11.407 ( -1.251 -3.240 -3.109) 4.661 11.478 ( 0.846 1.790 -0.155) 1.986 11.668 ( -0.221 8.015 -0.574) 8.039 11.850 ( -0.273 16.334 -0.254) 16.338 12.257 ( 3.671 -4.967 4.460) 7.618 12.258 ( 3.486 -1.453 2.632) 4.603 12.563 ( -0.725 -6.218 -0.625) 6.292 12.589 ( -0.665 -5.521 -0.908) 5.634 12.935 ( 5.027 4.174 -1.861) 6.794 12.971 ( 3.462 6.008 0.247) 6.938 13.390 ( 0.488 -1.205 -4.250) 4.444 13.422 ( 0.905 -4.329 5.721) 7.231 13.892 ( 7.959 -5.705 -0.645) 9.814 14.059 ( 9.927 -5.202 -2.964) 11.592 14.229 ( 3.916 -5.945 -1.698) 7.318 14.292 ( 0.237 -3.885 2.544) 4.650 14.545 ( 1.250 4.232 2.698) 5.172 14.819 ( -6.548 -0.757 4.511) 7.987 14.878 ( -6.245 3.233 -1.962) 7.301 15.196 ( 1.077 4.794 -7.227) 8.739 15.458 ( 7.100 9.351 2.465) 11.997 15.630 ( 6.607 17.103 -4.891) 18.976 16.497 ( 0.146 -17.183 10.677) 20.231 16.661 ( -9.842 -4.851 -6.689) 12.850 16.854 ( -1.328 -3.837 -0.415) 4.082 16.939 ( -0.581 -3.281 -0.252) 3.341 17.299 ( -3.014 12.224 -1.971) 12.744 17.850 ( 3.113 -3.254 9.405) 10.428 18.344 ( 0.651 -20.288 -2.358) 20.435 18.583 ( 1.543 -5.626 -8.812) 10.568 19.029 ( -11.488 8.436 6.657) 15.731 19.191 ( -21.423 14.155 -1.326) 25.711 20.532 ( -11.759 -5.612 6.750) 14.674 20.690 ( -8.370 -1.005 -5.425) 10.024 21.518 ( 8.069 3.475 2.840) 9.233 21.591 ( 9.594 2.331 -3.991) 10.650 24.177 ( 5.787 -0.164 4.131) 7.112 24.332 ( 2.645 3.407 -4.665) 6.354 24.373 ( 4.087 0.301 4.455) 6.053 24.751 ( 5.134 -3.085 -4.287) 7.366 ======================= Grid point 178 (39/69) ======================= q-point: (-0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -32.149 -3.109 4.344) 32.590 2.389 ( -30.462 -15.169 14.284) 36.906 2.943 ( -24.561 -0.266 7.062) 25.558 3.674 ( -6.425 -6.265 -27.628) 29.049 3.909 ( -6.757 -7.389 10.633) 14.606 4.169 ( -5.310 7.073 2.009) 9.070 4.307 ( -4.804 2.656 -11.287) 12.551 4.627 ( -0.008 -1.433 0.366) 1.479 4.984 ( -18.687 -9.605 1.003) 21.035 5.052 ( -14.343 -8.484 0.312) 16.667 5.309 ( -19.102 -8.005 1.113) 20.742 5.469 ( -9.949 -6.446 -1.899) 12.006 5.520 ( 9.965 4.553 2.228) 11.180 5.676 ( 1.389 -1.990 0.829) 2.564 6.008 ( -12.146 -3.710 5.059) 13.670 6.090 ( -2.551 1.328 0.336) 2.895 6.258 ( -17.347 6.587 -1.038) 18.584 6.571 ( -6.640 -2.405 -2.411) 7.463 6.899 ( 10.653 3.093 7.579) 13.435 7.070 ( 4.865 4.649 2.266) 7.100 7.239 ( 11.460 2.898 -7.638) 14.074 7.399 ( 4.648 1.471 1.379) 5.067 7.489 ( 1.867 5.294 2.943) 6.338 7.610 ( 14.076 8.768 -3.442) 16.937 7.734 ( 3.144 1.508 -6.436) 7.320 7.982 ( 8.235 -1.650 1.965) 8.625 8.079 ( 8.021 3.830 -1.470) 9.010 8.185 ( -2.957 -5.258 -0.684) 6.071 8.306 ( 8.853 -3.863 0.470) 9.671 8.457 ( 4.749 -1.697 0.012) 5.043 8.684 ( 0.562 -1.397 6.673) 6.841 8.792 ( 1.094 -3.651 0.450) 3.838 8.830 ( -2.777 1.267 4.016) 5.045 9.104 ( -6.986 -1.644 -0.313) 7.184 9.139 ( 3.160 -3.665 -3.038) 5.714 9.239 ( -3.696 6.905 -5.722) 9.700 9.630 ( 7.556 4.559 -0.827) 8.864 9.846 ( 2.989 6.703 6.305) 9.676 9.925 ( -3.044 6.309 1.770) 7.225 10.023 ( 3.428 0.140 2.859) 4.466 10.068 ( 5.128 0.557 0.310) 5.168 10.223 ( 4.665 3.115 -0.669) 5.649 10.318 ( 2.063 0.420 -2.212) 3.054 10.395 ( 2.493 0.788 -1.208) 2.881 10.484 ( 5.904 1.956 -0.589) 6.247 10.559 ( -0.392 -0.130 -8.005) 8.016 10.667 ( 4.704 -0.788 4.868) 6.815 10.752 ( 7.945 3.511 -3.092) 9.220 11.210 ( 13.407 -4.577 -0.332) 14.171 11.262 ( 9.050 -6.697 4.648) 12.180 11.377 ( 2.347 -5.134 -2.298) 6.095 11.542 ( 3.543 3.350 -3.060) 5.757 11.767 ( -0.307 12.659 1.379) 12.738 11.925 ( -9.764 12.216 -1.007) 15.671 12.187 ( -0.338 -8.189 10.114) 13.017 12.305 ( 1.573 -2.447 -5.571) 6.285 12.557 ( 5.939 -1.021 0.848) 6.085 12.580 ( 4.348 -2.730 -1.788) 5.436 13.033 ( 2.357 3.058 -0.249) 3.869 13.089 ( 3.028 5.700 -0.023) 6.454 13.390 ( -1.599 1.905 -6.884) 7.320 13.411 ( 0.525 -1.221 5.957) 6.104 13.944 ( 4.194 -3.358 -1.844) 5.681 14.094 ( -3.618 -10.139 1.428) 10.859 14.211 ( 8.710 -1.957 -1.165) 9.003 14.361 ( 6.794 -4.048 6.154) 10.021 14.593 ( 6.006 -0.533 -5.905) 8.440 14.805 ( 3.761 -0.650 3.628) 5.267 14.873 ( -3.365 11.363 2.790) 12.175 15.248 ( 1.891 1.455 -4.740) 5.307 15.640 ( 4.806 7.394 1.968) 9.035 15.869 ( 1.438 17.297 -4.411) 17.908 16.284 ( -4.081 -17.904 5.752) 19.243 16.447 ( -9.080 -6.820 -2.842) 11.706 16.792 ( -0.919 -5.493 0.382) 5.583 16.926 ( 1.243 -0.290 -6.977) 7.093 17.336 ( -8.506 13.166 0.196) 15.676 17.793 ( -6.772 -2.202 12.435) 14.330 18.171 ( 3.531 -19.976 -0.782) 20.300 18.546 ( -0.819 -3.732 -11.029) 11.672 18.894 ( -14.330 5.855 2.787) 15.729 18.947 ( -16.598 5.705 3.818) 17.962 20.207 ( -19.647 -7.837 8.734) 22.885 20.521 ( -10.723 -1.384 -9.552) 14.427 21.701 ( 9.959 2.990 2.971) 10.814 21.792 ( 10.786 3.142 -3.657) 11.815 24.241 ( 2.332 -2.157 8.163) 8.760 24.407 ( 4.008 2.974 -5.334) 7.305 24.502 ( 6.186 5.695 -0.955) 8.462 24.809 ( 5.437 -3.483 -3.132) 7.176 ======================= Grid point 179 (40/69) ======================= q-point: (-0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -27.812 -19.167 25.070) 42.064 1.797 ( -28.451 4.388 7.091) 29.648 2.566 ( -21.210 1.541 -0.609) 21.274 3.444 ( -15.498 -7.572 -22.309) 28.200 3.638 ( -12.724 -14.111 14.209) 23.725 3.943 ( -47.641 -4.504 1.476) 47.876 4.196 ( -3.522 6.671 -9.505) 12.135 4.282 ( -24.519 4.317 4.533) 25.305 4.622 ( -20.339 -8.648 -19.409) 29.414 4.722 ( -3.399 -3.320 0.940) 4.843 5.105 ( -11.282 0.739 1.483) 11.403 5.284 ( 1.064 -5.752 -0.620) 5.882 5.639 ( -8.385 -5.900 4.252) 11.100 5.682 ( -0.064 4.278 -3.849) 5.755 5.814 ( -2.243 -2.739 16.660) 17.032 6.079 ( -4.458 0.915 5.032) 6.785 6.109 ( 0.491 4.926 -4.688) 6.818 6.441 ( -5.199 -2.007 -9.312) 10.852 7.106 ( 10.699 1.494 9.518) 14.398 7.206 ( 5.841 3.711 7.094) 9.910 7.436 ( 4.629 3.016 5.087) 7.510 7.539 ( 11.043 1.786 -4.053) 11.898 7.561 ( 5.189 0.160 -1.901) 5.529 7.808 ( 3.504 3.868 -5.191) 7.361 7.937 ( 13.707 3.523 -5.931) 15.345 8.046 ( 4.571 -2.400 -8.238) 9.722 8.149 ( 7.406 -4.385 2.731) 9.029 8.250 ( 4.945 3.872 -5.543) 8.376 8.413 ( 10.147 -2.374 9.216) 13.912 8.590 ( 6.990 3.375 -1.301) 7.870 8.746 ( 6.514 0.540 3.878) 7.600 8.786 ( 1.061 -0.925 0.692) 1.568 8.836 ( 0.873 1.844 2.811) 3.473 8.961 ( -5.104 -1.733 3.594) 6.479 9.107 ( -2.586 -3.931 -3.087) 5.627 9.281 ( 1.366 2.263 -8.823) 9.210 9.797 ( 3.636 5.400 1.274) 6.634 9.885 ( 2.470 -0.022 4.983) 5.561 9.961 ( 1.067 6.500 8.621) 10.849 10.114 ( 6.590 -1.757 0.628) 6.849 10.187 ( 5.822 1.211 3.213) 6.759 10.247 ( -0.033 -3.788 0.730) 3.858 10.361 ( -1.142 1.962 -1.602) 2.779 10.410 ( 1.925 0.500 -8.489) 8.719 10.533 ( -3.031 1.938 -7.284) 8.124 10.559 ( 3.993 -4.785 -4.651) 7.776 10.835 ( 14.365 2.162 8.729) 16.948 10.988 ( 12.764 6.156 -5.169) 15.084 11.308 ( -0.811 0.029 -2.530) 2.656 11.404 ( 14.051 -5.655 7.627) 16.959 11.457 ( 12.781 -2.493 -0.215) 13.024 11.638 ( 2.067 2.508 -4.616) 5.646 11.739 ( -12.194 3.545 5.081) 13.678 11.895 ( -2.016 9.955 1.245) 10.233 12.153 ( 3.741 -4.084 3.259) 6.426 12.285 ( 0.789 -3.431 -5.309) 6.370 12.691 ( 8.455 2.905 0.080) 8.941 12.713 ( 10.630 1.444 -0.015) 10.728 13.064 ( -0.923 0.792 0.284) 1.249 13.157 ( -0.094 2.046 -0.741) 2.178 13.343 ( -8.097 4.364 -5.966) 10.964 13.372 ( -3.196 -4.045 2.620) 5.783 13.952 ( -3.698 -5.155 3.691) 7.339 13.996 ( 4.429 0.928 -2.572) 5.205 14.296 ( 2.444 0.763 1.180) 2.819 14.411 ( 7.787 -8.906 6.489) 13.493 14.802 ( 12.095 7.005 -7.021) 15.641 14.853 ( 2.113 -3.423 -0.077) 4.024 14.958 ( 4.732 6.221 7.397) 10.761 15.299 ( 3.611 0.056 -5.673) 6.726 15.754 ( 1.843 4.877 0.562) 5.244 15.960 ( -6.005 3.794 -4.705) 8.520 16.100 ( -1.043 -3.551 3.570) 5.142 16.235 ( -8.271 -6.791 1.394) 10.792 16.717 ( -3.301 -2.361 0.110) 4.060 16.957 ( 1.297 0.252 -6.594) 6.725 17.243 ( -13.877 6.896 3.105) 15.804 17.619 ( -9.821 -3.337 2.994) 10.796 18.097 ( 4.373 -9.885 3.527) 11.370 18.477 ( -4.492 -1.528 -7.339) 8.739 18.673 ( -13.918 3.721 3.140) 14.745 18.790 ( -7.618 -0.480 2.979) 8.194 19.724 ( -29.385 -7.967 10.630) 32.249 20.301 ( -14.877 -0.936 -17.446) 22.946 21.896 ( 10.461 1.688 2.460) 10.878 21.992 ( 9.683 2.305 -2.775) 10.333 24.217 ( -1.798 -2.843 7.145) 7.897 24.493 ( 0.625 4.670 -10.013) 11.066 24.665 ( 7.251 4.336 0.979) 8.505 24.860 ( 5.140 -4.309 -2.298) 7.090 ======================= Grid point 184 (41/69) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 9.684 33.999 19.080) 40.171 2.382 ( 22.382 26.419 8.682) 35.697 2.982 ( 15.937 18.700 -6.678) 25.461 3.570 ( -0.341 8.022 -20.301) 21.831 3.717 ( -2.172 18.548 14.560) 23.680 4.297 ( 6.111 -1.158 -9.568) 11.412 4.445 ( 11.399 -0.680 1.488) 11.515 4.619 ( 3.738 1.151 -7.484) 8.444 4.885 ( 9.706 14.877 -0.301) 17.766 4.979 ( 11.333 18.044 -1.933) 21.395 5.197 ( 3.203 13.267 3.529) 14.097 5.355 ( 1.516 11.165 -0.404) 11.274 5.566 ( -4.333 -8.264 2.305) 9.612 5.674 ( 0.031 -0.976 1.962) 2.191 5.960 ( 5.941 15.065 6.745) 17.543 6.107 ( 2.456 2.702 4.749) 5.991 6.358 ( 10.775 13.269 -3.163) 17.383 6.494 ( -1.983 6.257 -7.530) 9.989 6.928 ( -5.886 -8.526 7.724) 12.923 7.159 ( 1.227 -6.648 6.234) 9.196 7.287 ( -4.714 -12.159 -7.814) 15.203 7.400 ( -4.616 -5.767 -3.402) 8.133 7.502 ( -4.217 2.558 5.449) 7.349 7.708 ( -7.005 -11.378 0.539) 13.373 7.843 ( 8.687 -4.898 -4.562) 10.967 7.923 ( -5.626 -6.011 -1.540) 8.376 8.011 ( -8.608 4.233 -2.506) 9.915 8.230 ( 2.548 -6.053 -6.131) 8.984 8.258 ( -0.704 -9.519 3.904) 10.313 8.443 ( -6.693 -9.366 -3.855) 12.140 8.641 ( -5.640 -4.915 10.228) 12.672 8.772 ( 1.345 2.441 0.151) 2.791 8.838 ( 0.341 2.498 4.602) 5.248 9.062 ( -3.133 -0.115 -2.675) 4.121 9.096 ( 5.186 7.087 1.838) 8.972 9.286 ( -0.873 2.583 -8.425) 8.855 9.739 ( 1.358 -8.654 3.990) 9.626 9.844 ( -5.051 1.221 -0.507) 5.221 10.052 ( 2.164 0.687 4.971) 5.465 10.061 ( 4.847 -2.786 4.625) 7.256 10.134 ( 0.165 -3.409 2.926) 4.496 10.169 ( -6.488 -0.418 1.391) 6.649 10.344 ( -1.334 -5.490 -7.719) 9.565 10.377 ( -2.010 -0.451 1.127) 2.348 10.443 ( -4.587 1.488 -10.043) 11.141 10.589 ( 1.874 -2.257 -4.120) 5.058 10.648 ( -3.389 -6.531 4.482) 8.615 10.829 ( -2.648 -11.687 -3.559) 12.501 11.088 ( -13.774 -7.319 6.829) 17.027 11.205 ( -3.949 -11.479 -0.915) 12.174 11.375 ( 3.038 -3.277 2.397) 5.071 11.585 ( -2.424 -4.905 -7.533) 9.310 11.944 ( 5.237 0.345 4.737) 7.070 12.008 ( -7.712 6.411 6.940) 12.196 12.103 ( 3.640 9.251 -1.753) 10.094 12.257 ( 4.069 -2.952 -4.993) 7.086 12.528 ( -6.216 -8.709 1.270) 10.775 12.569 ( -2.506 -8.036 -1.352) 8.525 13.084 ( 0.681 -2.765 0.586) 2.908 13.141 ( -2.291 -1.950 -2.035) 3.632 13.346 ( -5.183 2.778 1.705) 6.122 13.490 ( 7.203 -3.843 -5.597) 9.899 13.923 ( -0.827 -5.632 1.560) 5.902 13.958 ( -0.824 1.200 0.438) 1.520 14.187 ( -9.824 -1.408 6.969) 12.127 14.296 ( 2.600 -4.485 1.284) 5.340 14.657 ( 0.719 -10.877 -1.450) 10.996 14.698 ( -10.010 -0.232 -4.087) 10.814 15.012 ( 1.741 0.909 5.339) 5.688 15.253 ( -1.451 -1.356 -5.019) 5.398 15.782 ( -0.769 -0.575 4.888) 4.981 15.960 ( -6.200 5.013 -1.767) 8.166 16.178 ( 3.118 0.440 0.821) 3.254 16.334 ( 10.695 0.648 -5.672) 12.124 16.738 ( 0.963 3.251 3.280) 4.718 16.965 ( 2.603 -2.404 -9.828) 10.447 17.521 ( 3.958 13.004 4.309) 14.260 17.754 ( 7.938 3.509 2.312) 8.982 17.885 ( -11.780 -3.427 10.008) 15.833 18.511 ( 1.133 0.736 -14.013) 14.078 18.951 ( 6.302 10.002 5.017) 12.842 19.019 ( 11.855 18.757 1.829) 22.265 20.107 ( 9.276 19.914 8.319) 23.490 20.523 ( 7.038 9.229 -9.245) 14.839 21.724 ( -5.872 -8.635 1.955) 10.624 21.832 ( -4.804 -10.229 -2.836) 11.652 24.189 ( -3.398 0.051 6.435) 7.277 24.480 ( 0.732 -7.875 -1.674) 8.084 24.611 ( 1.324 -7.077 -3.877) 8.177 24.707 ( -8.308 -1.917 -2.247) 8.817 ======================= Grid point 185 (42/69) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 15.812 28.244 13.328) 35.005 3.009 ( 20.371 27.980 8.094) 35.544 3.401 ( 8.490 21.489 -6.976) 24.135 3.631 ( 2.693 4.787 -9.116) 10.643 3.914 ( 3.469 19.096 5.365) 20.137 4.333 ( 0.960 -6.196 -4.906) 7.961 4.449 ( 0.299 -8.935 1.800) 9.120 4.676 ( 5.034 -5.902 -6.541) 10.147 5.040 ( 1.859 3.461 -3.767) 5.443 5.134 ( 4.927 -2.139 -3.123) 6.213 5.375 ( -3.259 -6.603 4.665) 8.717 5.487 ( 3.222 4.581 8.549) 10.220 5.522 ( 4.065 11.094 -5.414) 12.997 5.708 ( 2.745 2.640 -1.367) 4.046 6.213 ( 10.804 4.560 4.203) 12.457 6.294 ( 6.173 16.756 -0.630) 17.868 6.433 ( -8.116 7.396 -2.755) 11.321 6.622 ( 1.886 6.204 1.097) 6.576 6.802 ( -1.301 1.321 6.713) 6.964 7.027 ( -6.050 -5.790 -3.618) 9.122 7.235 ( 1.541 -4.369 0.477) 4.658 7.272 ( 0.533 -5.463 -3.855) 6.707 7.436 ( -6.993 3.665 1.007) 7.959 7.531 ( -3.700 -5.595 3.829) 7.724 7.760 ( -5.847 -5.573 0.452) 8.090 7.873 ( -13.093 1.690 -2.160) 13.377 7.978 ( 8.279 -2.365 4.292) 9.621 8.157 ( -1.238 -11.590 -3.833) 12.269 8.245 ( 8.042 -2.756 -6.458) 10.676 8.312 ( 0.883 -7.003 -5.209) 8.772 8.476 ( -7.242 -2.482 9.747) 12.394 8.839 ( 3.707 0.179 -3.379) 5.019 8.907 ( 0.248 7.206 6.409) 9.647 9.041 ( 1.364 1.208 0.401) 1.866 9.236 ( 4.681 3.048 0.409) 5.601 9.335 ( -0.165 12.144 -5.461) 13.316 9.708 ( 0.181 -0.650 2.401) 2.494 9.768 ( -4.525 -1.033 -0.578) 4.677 9.983 ( -10.749 0.527 1.238) 10.833 10.026 ( -2.708 -0.846 5.187) 5.912 10.061 ( -2.771 -2.977 0.719) 4.130 10.208 ( 3.859 1.592 2.562) 4.898 10.233 ( -5.303 -1.830 -1.806) 5.894 10.385 ( 1.765 0.591 0.435) 1.911 10.425 ( 0.085 0.268 -6.894) 6.900 10.520 ( -2.819 -2.981 0.155) 4.106 10.633 ( 2.323 -3.077 -4.963) 6.285 10.703 ( -1.394 -5.606 -2.179) 6.174 10.840 ( -7.066 -8.148 5.759) 12.226 11.068 ( 1.376 -11.374 0.848) 11.488 11.403 ( 3.468 -3.061 1.141) 4.764 11.491 ( -2.245 -3.736 -6.565) 7.880 11.851 ( -12.164 2.401 1.374) 12.474 11.954 ( -3.144 -1.352 4.017) 5.277 12.201 ( -4.008 6.623 1.222) 7.837 12.336 ( -0.876 -6.134 2.098) 6.542 12.441 ( 8.479 -0.164 -1.005) 8.540 12.478 ( 3.151 -9.061 -2.713) 9.969 13.023 ( -2.927 -4.986 0.031) 5.781 13.048 ( -5.773 -2.560 -2.966) 6.977 13.265 ( -5.139 -0.006 1.436) 5.336 13.489 ( 1.322 -10.063 -2.446) 10.440 13.862 ( 0.359 -7.751 2.613) 8.188 13.937 ( 1.718 -7.550 4.436) 8.924 14.072 ( -3.453 2.086 -2.760) 4.888 14.269 ( 0.331 -9.055 1.537) 9.191 14.575 ( -4.647 3.988 -2.264) 6.529 14.702 ( 8.247 4.230 -0.050) 9.269 15.025 ( -1.780 2.698 3.832) 5.014 15.219 ( -2.112 0.837 -5.611) 6.053 15.642 ( -14.297 1.989 4.781) 15.205 15.922 ( -7.712 2.579 -0.246) 8.135 16.191 ( 4.085 -3.606 0.591) 5.481 16.537 ( 15.827 -10.068 -7.844) 20.332 16.874 ( 9.444 8.422 4.306) 13.366 16.978 ( 1.890 -3.066 -9.765) 10.408 17.555 ( -12.823 13.231 1.337) 18.473 17.671 ( -8.484 -5.664 16.198) 19.142 17.972 ( 16.410 -4.458 0.394) 17.009 18.543 ( 2.354 -0.260 -14.693) 14.883 19.162 ( 4.693 13.665 8.759) 16.896 19.389 ( 7.560 22.753 -2.446) 24.100 20.408 ( 8.091 12.930 6.156) 16.448 20.711 ( 5.929 7.433 -4.442) 10.494 21.547 ( -6.450 -6.398 0.543) 9.101 21.645 ( -5.392 -10.405 -2.402) 11.962 24.119 ( -3.672 -1.362 4.793) 6.190 24.397 ( -0.603 -8.408 5.415) 10.019 24.485 ( -7.219 -5.458 -5.202) 10.439 24.625 ( 0.580 -4.692 -5.047) 6.915 ======================= Grid point 186 (43/69) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 14.321 21.558 7.714) 27.007 3.493 ( 6.389 14.988 8.599) 18.423 3.620 ( 0.796 21.208 -5.500) 21.924 3.818 ( 7.704 8.976 0.180) 11.830 4.144 ( -1.602 13.814 0.403) 13.912 4.251 ( 1.941 -4.479 -4.334) 6.528 4.370 ( 1.046 -7.096 -2.353) 7.549 4.648 ( -3.967 -3.212 -1.676) 5.372 5.062 ( -1.765 -8.337 2.339) 8.837 5.132 ( 5.532 -0.290 -4.415) 7.083 5.251 ( -4.462 -3.014 -1.981) 5.737 5.496 ( -0.124 -11.301 -2.984) 11.689 5.730 ( 5.654 6.874 0.643) 8.924 5.782 ( 8.267 4.556 2.978) 9.898 6.197 ( -12.846 -0.401 -8.941) 15.656 6.417 ( 4.108 3.264 2.250) 5.709 6.597 ( 2.920 0.444 3.353) 4.468 6.612 ( 1.370 8.992 6.447) 11.149 6.851 ( 0.708 3.846 3.270) 5.098 6.946 ( -0.324 0.364 -4.728) 4.753 7.194 ( -4.181 1.325 -0.704) 4.442 7.259 ( 0.580 -2.985 -2.127) 3.711 7.348 ( -4.029 -3.625 3.681) 6.551 7.516 ( 3.184 1.240 0.531) 3.458 7.640 ( -11.769 -0.422 0.471) 11.786 7.674 ( -1.645 0.523 -3.524) 3.924 7.992 ( -4.857 -1.369 10.999) 12.101 8.081 ( 2.668 -6.169 -1.577) 6.904 8.231 ( -1.554 -4.599 0.163) 4.857 8.414 ( 1.768 -3.139 1.644) 3.961 8.435 ( 11.055 2.211 -10.118) 15.148 8.883 ( 1.734 -3.196 -5.580) 6.661 8.933 ( 0.331 3.318 6.635) 7.426 9.158 ( 6.059 7.279 2.094) 9.700 9.335 ( 4.302 2.877 3.401) 6.193 9.426 ( -5.684 7.607 -6.276) 11.383 9.640 ( -8.506 7.697 -1.462) 11.565 9.718 ( -6.457 -0.588 2.099) 6.815 9.872 ( -1.151 2.368 1.637) 3.100 9.972 ( -3.764 3.258 2.671) 5.650 10.013 ( 1.475 -1.687 3.840) 4.446 10.149 ( -6.452 5.099 -1.463) 8.353 10.252 ( -2.956 4.438 1.234) 5.473 10.375 ( -3.284 -0.040 -5.864) 6.721 10.431 ( -1.453 -1.057 -0.200) 1.808 10.494 ( 2.137 1.894 1.473) 3.213 10.615 ( -4.952 0.603 0.811) 5.054 10.688 ( 2.266 -3.250 -3.147) 5.060 10.735 ( 10.963 -11.987 -0.952) 16.272 11.005 ( 1.656 -10.416 0.121) 10.548 11.420 ( 2.937 -1.137 -1.835) 3.645 11.503 ( 6.249 -2.089 -0.699) 6.626 11.682 ( -8.912 -0.126 -1.400) 9.022 11.820 ( -9.499 -3.099 1.056) 10.048 12.142 ( -2.699 -3.255 1.760) 4.580 12.237 ( -2.134 -7.252 2.860) 8.083 12.514 ( 6.844 -0.832 -1.312) 7.018 12.584 ( 5.555 -0.859 2.073) 5.991 12.922 ( -4.002 -2.226 -3.303) 5.647 12.928 ( -4.731 -3.436 -0.152) 5.849 13.205 ( 0.317 -2.819 0.657) 2.912 13.382 ( -0.804 -10.863 -1.532) 11.000 13.774 ( -1.059 -7.577 4.476) 8.864 13.912 ( 5.291 -10.445 4.215) 12.445 14.045 ( -0.177 -3.852 -4.997) 6.312 14.193 ( 2.563 -7.112 -1.635) 7.735 14.614 ( -0.901 9.310 4.788) 10.508 14.939 ( 7.929 11.945 -5.704) 15.430 15.032 ( 0.557 4.425 5.199) 6.850 15.208 ( -1.175 2.751 -6.551) 7.202 15.411 ( -13.002 -0.313 1.862) 13.138 15.717 ( -18.784 4.159 -2.663) 19.422 16.249 ( 10.950 -13.464 6.679) 18.596 16.670 ( 11.693 -8.454 -8.293) 16.643 16.966 ( -0.573 -0.922 -5.985) 6.083 17.166 ( 15.083 5.489 2.531) 16.249 17.418 ( -15.753 8.950 3.853) 18.523 17.493 ( -6.085 -5.042 11.602) 14.037 18.160 ( 13.593 -9.438 0.008) 16.548 18.575 ( 1.175 0.209 -15.077) 15.124 19.338 ( -0.655 14.580 12.083) 18.947 19.674 ( -0.743 23.296 -5.072) 23.853 20.626 ( 5.604 8.563 5.301) 11.525 20.856 ( 3.145 6.053 -1.609) 7.009 21.399 ( -4.817 -4.086 -1.136) 6.418 21.468 ( -3.709 -9.514 -2.190) 10.443 24.058 ( -1.857 -1.208 3.542) 4.178 24.300 ( -2.436 -6.112 4.471) 7.955 24.349 ( -2.404 -4.716 -1.744) 5.573 24.592 ( 2.175 -6.622 -5.851) 9.101 ======================= Grid point 187 (44/69) ======================= q-point: ( 0.42 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( -3.361 13.501 4.552) 14.639 3.647 ( -9.347 -1.162 9.356) 13.276 3.701 ( 4.512 13.898 -3.541) 15.035 4.020 ( 0.452 6.317 6.309) 8.939 4.037 ( -3.733 -2.310 -4.046) 5.970 4.263 ( -5.376 0.366 0.995) 5.480 4.436 ( 0.058 4.152 -8.317) 9.296 4.509 ( -10.556 8.549 -4.809) 14.410 4.985 ( -3.875 -1.772 4.898) 6.492 5.136 ( 11.445 -9.675 5.436) 15.942 5.309 ( 4.428 -3.596 -9.694) 11.248 5.384 ( 7.033 -10.755 -4.588) 13.645 5.818 ( -13.370 -1.266 -1.906) 13.564 5.827 ( 1.568 7.534 -2.850) 8.206 6.187 ( 10.783 6.879 4.415) 13.531 6.366 ( -6.593 -5.480 -4.285) 9.584 6.607 ( 0.355 -1.463 3.822) 4.108 6.732 ( 3.912 4.386 9.598) 11.255 6.898 ( 1.020 -0.883 -6.141) 6.287 6.999 ( 6.310 -0.660 0.417) 6.358 7.090 ( -10.963 5.345 2.630) 12.477 7.221 ( -3.423 -2.507 -3.628) 5.582 7.314 ( 5.872 -3.645 3.479) 7.738 7.499 ( -3.008 4.651 -6.261) 8.359 7.605 ( -2.293 6.973 1.223) 7.442 7.670 ( -1.569 0.719 -0.941) 1.965 7.877 ( -4.438 -2.101 11.460) 12.468 8.074 ( 1.575 -2.953 1.071) 3.514 8.195 ( 0.800 -3.197 -1.550) 3.642 8.436 ( 4.149 -3.221 3.876) 6.528 8.591 ( 5.348 1.193 -9.492) 10.960 8.851 ( -0.911 -3.983 -5.817) 7.108 9.014 ( 3.264 4.297 7.684) 9.390 9.274 ( -8.746 0.421 -1.645) 8.909 9.316 ( 0.925 3.560 -0.031) 3.678 9.400 ( -3.300 0.285 -1.158) 3.509 9.581 ( -2.675 4.111 1.228) 5.057 9.660 ( -1.092 9.224 -0.896) 9.332 9.872 ( -3.808 5.613 3.838) 7.793 9.992 ( -5.294 7.282 5.378) 10.487 10.061 ( 4.337 -0.377 -0.681) 4.407 10.147 ( -3.424 8.299 -0.728) 9.007 10.179 ( -5.647 3.489 -0.321) 6.646 10.311 ( -3.373 1.428 -3.401) 4.998 10.441 ( 0.655 1.447 0.586) 1.693 10.510 ( -1.938 1.314 -2.267) 3.260 10.536 ( -2.166 -1.974 2.347) 3.754 10.726 ( 6.476 -4.192 -4.492) 8.927 10.880 ( 11.357 -5.234 -0.516) 12.515 10.891 ( -1.128 -11.937 -0.606) 12.005 11.464 ( -0.138 -3.240 2.239) 3.941 11.586 ( -1.016 -4.578 -0.062) 4.690 11.608 ( 3.353 0.575 -3.477) 4.865 11.671 ( 1.628 4.015 -1.844) 4.708 12.097 ( 2.718 -4.464 2.228) 5.682 12.161 ( 1.294 -5.759 1.837) 6.182 12.599 ( 0.554 -3.222 0.675) 3.338 12.614 ( 1.625 -0.923 2.151) 2.849 12.838 ( -2.232 0.132 -0.560) 2.305 12.883 ( 0.279 1.390 -0.728) 1.593 13.232 ( 6.894 -4.835 -0.796) 8.458 13.298 ( 2.408 -7.832 -2.598) 8.595 13.703 ( 1.157 -6.576 5.474) 8.634 13.884 ( 3.504 -9.637 -0.256) 10.258 14.039 ( 4.777 -4.335 1.930) 6.733 14.208 ( 6.061 -7.098 -5.970) 11.080 14.652 ( -5.865 9.799 9.127) 14.619 15.049 ( -2.013 3.198 -5.920) 7.023 15.116 ( -6.184 -0.740 -0.841) 6.284 15.250 ( 2.826 10.270 4.167) 11.438 15.347 ( 4.005 8.262 -7.163) 11.645 15.457 ( -13.871 7.780 -3.818) 16.355 16.269 ( 10.254 -19.145 8.868) 23.459 16.739 ( 6.458 -11.388 -11.918) 17.704 16.960 ( -1.184 3.608 1.757) 4.184 17.197 ( -14.623 1.581 4.331) 15.333 17.373 ( -2.950 5.044 0.619) 5.876 17.485 ( 13.004 0.396 9.558) 16.144 18.231 ( 8.235 -14.055 -0.080) 16.290 18.579 ( -1.143 0.509 -15.855) 15.905 19.401 ( -7.649 12.488 13.300) 19.783 19.784 ( -11.206 19.390 -5.827) 23.141 20.738 ( -0.544 3.931 5.944) 7.147 20.905 ( -3.132 3.138 -0.952) 4.535 21.337 ( 1.525 -1.712 -1.777) 2.901 21.375 ( 2.101 -4.913 -2.707) 5.990 24.043 ( 1.224 -0.568 3.403) 3.660 24.245 ( 1.341 -2.162 0.451) 2.584 24.296 ( 0.502 -3.595 2.277) 4.285 24.581 ( 4.372 -6.600 -5.623) 9.710 ======================= Grid point 189 (45/69) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( -23.035 -8.357 13.318) 27.890 3.307 ( -22.708 10.083 1.091) 24.870 3.800 ( -8.724 1.508 -8.623) 12.358 3.864 ( -15.179 -1.130 5.006) 16.023 4.087 ( -6.810 3.840 2.222) 8.128 4.141 ( 6.379 -0.124 -5.603) 8.491 4.402 ( -3.481 2.772 -0.735) 4.510 4.516 ( -0.356 3.433 -4.343) 5.547 4.976 ( 3.299 2.119 -0.116) 3.922 5.238 ( 4.599 -9.514 -4.802) 11.607 5.304 ( 6.557 -7.897 3.884) 10.975 5.508 ( 5.428 -0.262 -4.666) 7.163 5.600 ( -4.725 1.140 0.852) 4.935 5.909 ( -3.388 5.835 2.300) 7.129 6.154 ( -6.283 -10.108 -7.101) 13.859 6.390 ( 2.052 6.409 1.197) 6.835 6.637 ( 3.718 1.311 5.514) 6.778 6.765 ( -6.216 4.954 4.153) 8.968 6.853 ( -5.623 -6.232 -0.531) 8.410 6.973 ( -2.843 4.280 1.433) 5.334 7.099 ( -3.316 1.627 -2.217) 4.308 7.163 ( 7.506 -2.377 -2.675) 8.315 7.430 ( 8.757 0.019 5.909) 10.564 7.515 ( -4.439 2.925 -3.082) 6.145 7.628 ( -4.681 12.817 -1.348) 13.712 7.683 ( 4.924 4.632 -1.844) 7.007 7.848 ( 5.360 -5.696 6.653) 10.268 8.082 ( 2.419 -1.640 -0.554) 2.974 8.181 ( 1.711 -3.639 -1.651) 4.347 8.454 ( 0.586 -4.648 7.006) 8.428 8.673 ( 3.714 0.362 -12.881) 13.410 8.734 ( -4.232 -8.831 -1.277) 9.876 9.041 ( -4.229 1.001 9.201) 10.176 9.135 ( -6.267 -0.268 -1.158) 6.379 9.255 ( 0.137 -3.811 0.129) 3.815 9.469 ( -2.297 10.106 -4.711) 11.384 9.568 ( -7.095 9.562 0.980) 11.947 9.768 ( -1.133 7.880 -0.207) 7.964 9.876 ( 0.875 1.852 3.234) 3.828 9.954 ( 0.999 0.862 2.416) 2.753 10.079 ( -1.127 3.446 5.096) 6.254 10.161 ( 1.672 3.120 -1.641) 3.902 10.210 ( -4.651 6.448 0.222) 7.953 10.317 ( 2.133 3.462 -5.270) 6.656 10.444 ( -0.853 0.009 -0.237) 0.886 10.502 ( 0.372 0.406 0.542) 0.773 10.529 ( 2.862 0.700 -0.745) 3.039 10.720 ( -2.436 -9.560 -1.966) 10.059 10.825 ( 9.327 -6.812 -0.724) 11.572 10.992 ( 7.303 -5.584 -0.013) 9.193 11.381 ( -2.103 -4.686 -1.368) 5.315 11.492 ( -1.336 -3.135 -0.499) 3.444 11.715 ( 3.831 7.144 -1.645) 8.272 11.890 ( 11.220 6.275 0.075) 12.856 12.147 ( 4.648 -1.932 3.598) 6.187 12.178 ( 5.373 -0.498 1.224) 5.533 12.535 ( -3.870 -5.572 0.301) 6.791 12.539 ( -2.217 -6.297 0.730) 6.716 12.890 ( 4.123 3.426 -1.787) 5.651 12.951 ( 4.531 3.390 -1.118) 5.769 13.301 ( 5.998 -4.589 2.508) 7.958 13.318 ( 5.698 -3.232 -3.496) 7.425 13.709 ( 5.821 -3.537 3.835) 7.817 13.880 ( 6.135 -6.669 0.629) 9.084 14.095 ( 5.756 -3.621 0.886) 6.858 14.230 ( 4.027 -6.187 -3.729) 8.270 14.628 ( -5.974 5.701 4.719) 9.512 14.944 ( -12.045 -1.363 -2.411) 12.360 14.977 ( -3.535 -0.606 -0.011) 3.587 15.261 ( -3.915 3.052 -4.245) 6.532 15.496 ( 4.582 14.033 5.725) 15.833 15.670 ( 9.452 19.068 -7.735) 22.645 16.221 ( 7.667 -22.171 7.947) 24.769 16.660 ( -0.718 -13.628 -12.292) 18.367 16.960 ( -6.497 4.454 1.642) 8.046 16.982 ( -8.656 -0.471 3.956) 9.529 17.426 ( 1.464 9.592 -2.396) 9.995 17.690 ( 9.837 0.271 14.475) 17.503 18.157 ( 1.343 -17.875 -0.788) 17.943 18.555 ( -1.659 -0.036 -16.228) 16.313 19.326 ( -12.971 8.342 11.904) 19.482 19.673 ( -19.969 12.380 -4.734) 23.967 20.664 ( -8.815 -1.874 6.568) 11.152 20.828 ( -7.709 1.184 -2.912) 8.326 21.417 ( 7.383 1.021 -0.787) 7.494 21.445 ( 8.417 -0.206 -2.549) 8.797 24.088 ( 4.339 0.036 4.115) 5.980 24.282 ( 4.114 -3.558 7.292) 9.097 24.316 ( 3.880 3.712 -6.021) 8.067 24.612 ( 6.077 -5.619 -4.974) 9.656 ======================= Grid point 190 (46/69) ======================= q-point: (-0.42 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -30.674 -9.914 18.072) 36.956 2.908 ( -33.678 5.604 1.523) 34.175 3.412 ( -29.686 1.377 -1.609) 29.762 3.695 ( -3.722 -5.738 -15.147) 16.620 4.005 ( -8.980 -1.210 8.103) 12.156 4.282 ( -2.063 3.434 1.629) 4.325 4.343 ( 4.559 3.161 -6.211) 8.328 4.587 ( 3.354 1.530 -5.348) 6.496 5.061 ( 1.930 0.799 -4.241) 4.728 5.113 ( -7.787 -7.189 0.408) 10.606 5.355 ( 7.542 0.036 1.426) 7.676 5.522 ( -0.250 -2.060 5.758) 6.120 5.629 ( -6.525 -6.365 -4.682) 10.247 5.691 ( -13.634 -0.002 0.764) 13.655 6.096 ( -1.567 3.027 1.347) 3.665 6.306 ( -16.342 0.970 0.814) 16.390 6.602 ( -11.975 0.903 0.662) 12.027 6.647 ( -8.859 -5.118 -1.781) 10.385 6.774 ( 5.682 3.916 7.217) 9.985 7.055 ( 2.716 4.314 2.272) 5.581 7.084 ( 6.649 1.079 -6.938) 9.670 7.308 ( 7.318 -1.759 -1.965) 7.778 7.495 ( 4.209 3.094 -0.172) 5.227 7.534 ( 2.486 -0.186 7.434) 7.841 7.716 ( 1.434 10.364 -4.246) 11.291 7.841 ( 6.537 -0.417 2.238) 6.922 7.981 ( 11.855 5.903 0.548) 13.254 8.122 ( 3.669 -5.399 -3.056) 7.208 8.184 ( 1.212 -2.028 -2.898) 3.739 8.346 ( -0.526 -6.744 -3.986) 7.852 8.601 ( 2.700 -7.820 8.751) 12.043 8.778 ( 2.397 2.509 -6.076) 6.997 8.936 ( -7.754 0.477 6.646) 10.224 9.069 ( -0.384 -3.021 0.578) 3.099 9.210 ( -4.839 0.127 -0.418) 4.859 9.385 ( -9.997 2.247 -6.643) 12.211 9.602 ( 1.737 6.664 3.041) 7.529 9.832 ( 1.870 0.819 -0.006) 2.041 9.952 ( 6.135 6.334 1.928) 9.027 10.029 ( 0.570 4.915 4.516) 6.699 10.123 ( -0.870 0.385 1.784) 2.022 10.143 ( -0.583 1.016 0.584) 1.309 10.241 ( 5.292 0.415 -1.563) 5.533 10.381 ( -0.373 0.656 -0.255) 0.796 10.442 ( 2.234 0.272 -3.842) 4.452 10.552 ( 2.381 0.411 -5.524) 6.029 10.580 ( 2.699 -1.972 2.294) 4.054 10.660 ( 4.842 -0.414 -3.113) 5.771 10.947 ( 11.681 -4.389 4.889) 13.402 11.046 ( 7.533 -5.605 -0.262) 9.393 11.342 ( 0.257 -0.205 -0.991) 1.044 11.499 ( 3.759 -0.217 -3.811) 5.357 11.855 ( 2.889 9.584 0.842) 10.046 12.055 ( 6.077 -5.589 5.234) 9.776 12.193 ( -3.716 9.793 0.831) 10.507 12.272 ( 0.483 1.282 -0.033) 1.370 12.422 ( 3.209 -7.704 0.107) 8.346 12.479 ( 2.305 -5.070 -2.842) 6.252 12.999 ( 5.206 2.251 -0.631) 5.707 13.066 ( 4.928 2.475 -1.977) 5.858 13.347 ( 3.908 -3.178 4.128) 6.512 13.399 ( 4.425 2.237 -4.713) 6.841 13.805 ( 7.458 -1.196 1.830) 7.772 13.953 ( 7.047 -4.799 1.861) 8.726 14.139 ( 3.596 -2.072 0.967) 4.261 14.247 ( 3.350 -2.656 0.469) 4.300 14.571 ( -3.455 2.566 -2.236) 4.850 14.755 ( -4.007 -6.572 -0.156) 7.699 14.984 ( -0.214 5.787 3.106) 6.572 15.243 ( -0.499 0.112 -4.820) 4.847 15.689 ( 2.564 12.128 6.086) 13.809 15.997 ( 6.084 18.910 -2.126) 19.978 16.101 ( 2.895 -19.734 1.768) 20.023 16.480 ( -5.273 -11.710 -9.621) 16.047 16.824 ( -7.375 1.231 3.993) 8.477 16.944 ( -1.405 1.468 -5.336) 5.710 17.560 ( -0.764 13.683 -0.791) 13.727 17.806 ( 3.907 -0.645 19.643) 20.038 17.951 ( -2.487 -20.007 -2.673) 20.338 18.530 ( -0.889 -0.761 -15.988) 16.031 19.152 ( -14.239 3.777 8.705) 17.111 19.385 ( -24.010 5.381 -2.212) 24.705 20.438 ( -14.800 -3.572 7.178) 16.833 20.690 ( -9.733 0.723 -5.487) 11.196 21.562 ( 8.837 0.862 1.243) 8.965 21.626 ( 11.597 1.394 -3.099) 12.085 24.162 ( 4.340 -1.531 6.447) 7.921 24.343 ( 5.607 1.052 1.951) 6.029 24.457 ( 6.642 5.267 -4.531) 9.611 24.664 ( 6.111 -5.254 -3.912) 8.959 ======================= Grid point 198 (47/69) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 9.560 25.612 12.823) 30.196 3.507 ( 19.898 22.410 4.007) 30.236 3.700 ( -1.349 4.397 -2.426) 5.200 3.870 ( 6.378 21.836 -6.151) 23.566 4.153 ( 6.075 1.759 -2.647) 6.856 4.226 ( 2.624 -12.620 0.510) 12.900 4.335 ( -4.361 10.979 0.971) 11.853 4.584 ( 4.527 -2.783 -1.764) 5.599 5.027 ( -1.548 -6.887 -1.630) 7.244 5.104 ( -1.905 1.424 -7.072) 7.462 5.266 ( -2.696 -6.015 4.402) 7.927 5.479 ( -5.164 -4.854 -3.296) 7.816 5.650 ( 7.245 5.386 2.994) 9.511 5.858 ( -3.224 12.367 -5.721) 14.002 6.197 ( 11.810 -4.960 5.113) 13.792 6.414 ( -5.963 -0.143 -5.546) 8.145 6.654 ( -2.778 7.479 5.688) 9.798 6.681 ( -1.422 2.693 0.390) 3.070 6.826 ( -0.006 -2.288 0.024) 2.288 6.995 ( -5.615 -3.933 -4.663) 8.291 7.120 ( 7.153 -0.464 3.839) 8.131 7.171 ( -0.516 -5.715 5.071) 7.658 7.423 ( -3.865 -3.800 2.837) 6.118 7.531 ( 1.791 5.788 -3.333) 6.915 7.720 ( -2.724 0.542 1.256) 3.048 7.786 ( -6.962 -8.741 -0.276) 11.178 7.923 ( 12.438 -2.990 2.561) 13.046 8.059 ( -2.105 0.186 1.096) 2.380 8.165 ( 2.653 -2.460 -4.979) 6.154 8.351 ( -2.519 3.857 1.652) 4.894 8.505 ( -6.091 8.004 -3.271) 10.577 8.776 ( 4.363 -4.827 -8.085) 10.378 9.000 ( -2.467 3.984 6.666) 8.149 9.138 ( 5.223 7.659 1.628) 9.412 9.268 ( 3.457 -1.096 5.272) 6.399 9.546 ( 0.339 5.649 -7.438) 9.346 9.718 ( 6.908 0.906 3.220) 7.675 9.812 ( -4.560 3.683 -0.309) 5.870 9.919 ( 4.052 -2.912 0.697) 5.038 9.937 ( -5.501 -4.145 0.949) 6.953 10.111 ( -3.382 5.552 2.866) 7.105 10.232 ( 6.002 0.357 3.258) 6.839 10.278 ( 3.285 5.200 0.528) 6.174 10.370 ( -2.157 -5.121 0.142) 5.558 10.423 ( 4.022 1.679 -1.410) 4.581 10.487 ( -3.471 -0.355 -5.867) 6.826 10.554 ( -0.471 -2.561 -2.692) 3.746 10.607 ( 0.775 -3.160 -3.089) 4.486 10.763 ( -6.622 -3.221 5.480) 9.180 10.906 ( -3.113 -5.276 -1.604) 6.332 11.368 ( 3.782 -0.461 0.590) 3.855 11.429 ( -2.919 -1.295 -3.101) 4.451 11.838 ( -0.280 -8.540 -0.501) 8.560 11.848 ( -11.306 -3.686 -0.061) 11.892 12.165 ( -5.687 -8.582 0.971) 10.341 12.197 ( -2.428 -11.168 0.794) 11.457 12.442 ( 3.421 7.967 0.918) 8.719 12.508 ( 4.935 4.846 0.974) 6.984 12.926 ( -1.579 -4.131 -0.540) 4.456 12.975 ( -4.076 -4.581 -2.938) 6.799 13.241 ( -4.910 -2.339 0.965) 5.524 13.311 ( -1.743 -7.708 -1.873) 8.121 13.713 ( 0.577 -6.756 4.734) 8.270 13.803 ( -4.107 -6.103 4.756) 8.760 14.040 ( -4.019 -4.325 -1.600) 6.117 14.142 ( -4.639 -4.598 -4.445) 7.901 14.687 ( 3.978 7.689 4.291) 9.662 14.915 ( 8.618 15.673 -6.484) 19.025 15.014 ( 2.257 -2.377 5.394) 6.312 15.260 ( -0.902 3.330 -5.824) 6.770 15.660 ( -10.153 -3.221 6.368) 12.410 15.897 ( -4.754 -2.527 3.979) 6.695 16.000 ( 3.968 -16.282 -0.272) 16.761 16.456 ( -0.275 1.801 -15.580) 15.686 16.967 ( 1.284 3.303 0.076) 3.545 17.046 ( 9.467 7.858 2.280) 12.513 17.525 ( -4.166 -7.832 11.178) 14.270 17.766 ( -10.484 4.704 -4.735) 12.428 17.874 ( 5.701 -2.976 9.752) 11.682 18.564 ( 1.854 2.100 -18.788) 18.996 19.412 ( 7.054 11.566 13.264) 18.960 19.796 ( 10.614 18.332 -5.500) 21.885 20.633 ( 4.712 10.486 6.386) 13.151 20.850 ( 4.890 6.728 -2.272) 8.622 21.424 ( -4.398 -7.246 -1.758) 8.657 21.446 ( -4.815 -8.968 -2.286) 10.433 24.084 ( -2.548 -2.285 5.461) 6.445 24.252 ( -2.131 -6.215 6.202) 9.035 24.374 ( -2.476 -5.445 -5.792) 8.326 24.532 ( -3.596 -4.738 -5.126) 7.852 ======================= Grid point 199 (48/69) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( 8.060 17.619 7.476) 20.767 3.691 ( -3.094 6.315 4.127) 8.154 3.899 ( -8.130 1.722 -5.145) 9.774 3.978 ( 11.634 8.247 3.180) 14.611 4.128 ( -4.384 -1.989 -1.282) 4.981 4.288 ( 2.335 1.191 5.354) 5.961 4.441 ( 3.004 9.600 -4.998) 11.232 4.714 ( 3.581 10.396 -2.506) 11.278 4.907 ( -0.136 -6.224 2.267) 6.625 5.060 ( -5.855 -6.280 1.472) 8.711 5.191 ( 5.820 -4.437 -7.015) 10.138 5.273 ( -7.455 -11.112 -6.918) 15.064 5.918 ( -1.049 13.187 -3.472) 13.677 5.942 ( 10.098 12.990 4.056) 16.946 6.194 ( -11.420 0.762 -4.301) 12.227 6.389 ( 5.684 -5.406 1.202) 7.936 6.542 ( -1.510 -6.100 3.270) 7.084 6.658 ( -4.455 -13.265 0.741) 14.013 6.768 ( 6.686 -7.447 -0.130) 10.009 6.894 ( -0.534 -1.077 -5.647) 5.774 7.166 ( 2.101 0.176 5.518) 5.907 7.250 ( 2.438 2.192 7.199) 7.910 7.320 ( -4.969 0.152 9.399) 10.633 7.588 ( -2.465 3.772 -9.161) 10.209 7.661 ( -1.649 -0.038 -5.439) 5.683 7.735 ( -0.518 5.380 -0.731) 5.454 8.003 ( -2.511 -0.132 0.760) 2.627 8.054 ( -0.326 4.621 9.252) 10.347 8.188 ( -0.321 -0.489 -2.812) 2.872 8.315 ( 2.857 -5.599 11.114) 12.769 8.573 ( 1.251 8.843 -15.430) 17.828 8.800 ( 2.356 -4.879 -9.149) 10.633 9.036 ( 0.517 9.122 8.404) 12.414 9.300 ( 4.263 3.482 2.903) 6.223 9.362 ( 7.397 3.447 4.975) 9.557 9.486 ( -8.452 1.606 -6.273) 10.648 9.567 ( -8.083 -11.225 2.422) 14.043 9.766 ( -2.283 -2.843 -2.061) 4.188 9.970 ( 3.132 7.577 1.368) 8.312 10.060 ( -5.440 4.716 4.474) 8.476 10.107 ( 3.855 12.659 -0.981) 13.269 10.281 ( -3.083 1.381 0.111) 3.380 10.335 ( -1.471 -0.930 0.670) 1.865 10.351 ( 0.397 4.180 4.008) 5.804 10.409 ( -2.575 -1.860 -0.966) 3.320 10.518 ( -0.951 0.773 -3.793) 3.986 10.578 ( 2.998 -0.661 -4.326) 5.305 10.618 ( 5.666 2.322 0.576) 6.150 10.674 ( 1.407 -1.331 -1.704) 2.579 10.811 ( -1.222 -10.096 -1.732) 10.316 11.405 ( 2.131 -1.205 0.882) 2.602 11.441 ( 5.683 -3.241 3.073) 7.228 11.658 ( -7.064 -1.329 -4.646) 8.559 11.705 ( -4.052 -6.334 -3.912) 8.476 12.020 ( -0.852 -7.337 0.332) 7.394 12.049 ( 0.539 -11.944 -0.059) 11.956 12.585 ( 2.843 6.733 3.790) 8.233 12.622 ( 1.793 4.273 4.414) 6.400 12.873 ( -2.873 -2.319 -1.611) 4.028 12.881 ( -0.565 -1.713 -2.181) 2.831 13.162 ( -1.350 -1.776 -0.128) 2.234 13.221 ( -0.725 -5.429 -1.731) 5.744 13.657 ( -1.421 -4.062 6.830) 8.072 13.729 ( 3.179 -7.825 4.260) 9.459 13.952 ( -0.256 -4.284 -3.172) 5.337 14.053 ( 1.851 -7.602 -6.654) 10.271 14.840 ( -0.792 13.727 7.570) 15.696 15.040 ( 2.646 -1.355 6.337) 6.999 15.219 ( 5.171 13.434 -7.769) 16.357 15.278 ( 1.126 5.842 -1.602) 6.161 15.422 ( -9.530 -1.001 -2.869) 10.002 15.720 ( -12.505 -4.828 -4.410) 14.112 15.937 ( 7.396 -15.821 10.794) 20.531 16.500 ( 6.995 -7.327 -16.981) 19.773 17.015 ( 0.012 5.687 5.049) 7.605 17.239 ( 4.545 -2.257 9.938) 11.159 17.442 ( 0.669 4.652 1.597) 4.964 17.583 ( -14.406 6.150 -0.845) 15.686 17.954 ( 9.518 -11.416 5.446) 15.830 18.606 ( 0.170 2.086 -20.154) 20.262 19.576 ( -0.147 9.335 16.118) 18.627 20.050 ( -0.123 14.578 -7.414) 16.355 20.788 ( 2.110 8.357 6.514) 10.804 20.958 ( 1.023 3.646 1.561) 4.096 21.288 ( -1.419 -7.179 -4.011) 8.345 21.324 ( -1.805 -4.711 -3.972) 6.421 24.042 ( -1.102 -0.064 5.115) 5.233 24.170 ( 0.490 -6.484 7.188) 9.693 24.305 ( -2.192 -0.054 -5.578) 5.993 24.457 ( 1.609 -6.950 -5.577) 9.055 ======================= Grid point 200 (49/69) ======================= q-point: (-0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.550 ( -17.028 -4.180 9.075) 19.743 3.669 ( -3.920 12.161 5.126) 13.767 3.882 ( -8.577 -1.370 -6.359) 10.764 3.969 ( 5.981 3.640 -2.790) 7.537 4.117 ( -5.122 0.629 3.335) 6.144 4.275 ( -5.639 0.623 5.133) 7.651 4.493 ( -4.998 0.335 -4.252) 6.571 4.647 ( -12.385 4.473 -2.813) 13.465 4.936 ( 2.015 -3.098 3.046) 4.790 5.082 ( 13.087 3.184 1.037) 13.509 5.122 ( 0.382 -5.919 -7.879) 9.862 5.325 ( 12.528 -3.164 -6.571) 14.496 5.845 ( -18.380 3.961 -0.232) 18.803 6.046 ( -2.503 14.273 1.443) 14.563 6.163 ( -8.736 -12.083 -5.030) 15.736 6.350 ( 8.457 6.274 1.579) 10.648 6.565 ( 9.404 -6.002 3.983) 11.846 6.683 ( 9.720 -3.510 1.236) 10.408 6.795 ( 10.839 -12.512 -5.865) 17.562 6.886 ( -1.155 1.311 -2.160) 2.778 7.157 ( -5.119 -1.000 8.629) 10.083 7.209 ( -3.186 2.930 5.644) 7.113 7.338 ( 1.844 2.134 8.162) 8.635 7.612 ( -0.276 4.909 -10.227) 11.348 7.659 ( 1.315 -1.314 -5.210) 5.532 7.743 ( -2.649 3.017 -0.927) 4.121 7.929 ( -8.295 6.945 6.533) 12.638 8.072 ( -1.235 1.565 4.761) 5.162 8.160 ( -1.216 -0.418 -3.923) 4.128 8.349 ( 5.743 -5.297 11.477) 13.884 8.647 ( -0.136 1.541 -14.115) 14.200 8.747 ( -2.678 -3.896 -9.264) 10.400 9.111 ( -5.557 2.311 10.505) 12.107 9.226 ( -1.629 -2.186 4.219) 5.023 9.302 ( -11.147 1.488 -2.816) 11.593 9.526 ( 5.338 6.478 -0.924) 8.445 9.617 ( 9.586 -1.463 1.467) 9.808 9.725 ( 3.766 0.566 -1.763) 4.197 10.003 ( -7.227 0.148 1.854) 7.463 10.045 ( -6.507 5.420 0.127) 8.469 10.157 ( -6.218 6.177 4.359) 9.789 10.246 ( -1.786 7.117 -1.599) 7.510 10.289 ( 1.736 -7.047 0.971) 7.323 10.350 ( -4.327 5.972 1.969) 7.633 10.439 ( 2.259 1.614 1.292) 3.062 10.486 ( -1.965 -1.161 -4.234) 4.810 10.552 ( -3.250 2.477 -3.494) 5.377 10.647 ( -2.168 -8.285 -1.609) 8.714 10.698 ( 2.653 -1.451 -0.827) 3.135 10.811 ( 9.536 -3.717 -1.791) 10.391 11.394 ( -2.270 -1.993 1.825) 3.530 11.451 ( 1.011 -6.386 2.084) 6.794 11.665 ( 7.171 3.674 -4.703) 9.330 11.720 ( 8.021 0.796 -3.990) 8.994 12.017 ( 7.162 -3.543 0.279) 7.995 12.035 ( 7.847 -5.187 0.195) 9.409 12.595 ( -5.711 2.167 3.675) 7.129 12.602 ( -6.848 -0.358 4.374) 8.134 12.866 ( 2.222 1.443 -2.228) 3.461 12.896 ( 3.365 -0.424 -1.330) 3.642 13.178 ( 4.392 -1.026 0.071) 4.510 13.212 ( 3.760 -1.452 -2.037) 4.516 13.631 ( 1.706 -0.272 6.464) 6.690 13.728 ( 4.864 -5.513 3.834) 8.292 13.967 ( 4.985 -2.591 -2.582) 6.183 14.062 ( 7.063 -6.268 -6.415) 11.416 14.850 ( -12.311 8.488 7.787) 16.859 14.991 ( -1.133 -2.183 5.365) 5.902 15.199 ( -13.737 3.667 -8.374) 16.501 15.350 ( -6.011 -2.458 -2.572) 6.985 15.471 ( 11.449 6.230 2.446) 13.262 15.678 ( 8.945 11.550 -8.126) 16.717 15.905 ( 6.328 -14.491 10.645) 19.061 16.506 ( 3.405 -9.601 -16.088) 19.042 17.039 ( -3.623 2.074 5.933) 7.254 17.180 ( -6.117 -0.266 8.648) 10.596 17.436 ( -2.207 2.155 -1.273) 3.336 17.641 ( 5.630 11.553 2.845) 13.163 17.945 ( 4.432 -14.832 5.198) 16.329 18.603 ( -2.279 1.135 -20.335) 20.494 19.575 ( -8.207 4.914 16.094) 18.722 20.049 ( -12.582 7.403 -7.355) 16.347 20.798 ( -7.466 1.753 6.812) 10.257 20.950 ( -4.281 1.410 1.262) 4.681 21.281 ( 6.346 -1.948 -4.300) 7.909 21.331 ( 5.463 -1.148 -3.704) 6.700 24.045 ( 1.087 0.714 5.171) 5.332 24.167 ( 4.928 -3.574 7.181) 9.414 24.302 ( 0.758 2.160 -5.726) 6.167 24.459 ( 5.539 -5.030 -5.478) 9.273 ======================= Grid point 211 (50/69) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( -1.580 -3.161 5.258) 6.335 3.712 ( 1.580 3.161 5.258) 6.335 3.944 ( -1.250 -2.500 -4.661) 5.435 3.944 ( 1.250 2.500 -4.661) 5.435 4.180 ( -0.000 -0.000 6.463) 6.463 4.311 ( -0.000 -0.000 10.312) 10.312 4.550 ( -0.000 -0.000 -5.008) 5.008 4.864 ( -0.974 -1.949 4.604) 5.094 4.864 ( 0.974 1.949 4.604) 5.094 4.979 ( 0.000 0.000 -12.888) 12.888 5.122 ( -1.331 -2.662 -7.035) 7.639 5.122 ( 1.331 2.662 -7.035) 7.639 6.186 ( -0.000 -0.000 1.672) 1.672 6.235 ( -7.479 -14.958 1.648) 16.805 6.235 ( 7.479 14.958 1.648) 16.805 6.304 ( -7.086 -14.171 -1.411) 15.906 6.304 ( 7.085 14.170 -1.411) 15.906 6.313 ( 0.001 0.000 -3.785) 3.785 6.715 ( -0.000 -0.000 -0.650) 0.650 6.917 ( -0.000 -0.000 -5.181) 5.181 7.208 ( -1.402 -2.804 9.181) 9.702 7.208 ( 1.402 2.804 9.181) 9.702 7.361 ( -0.000 -0.000 15.151) 15.151 7.635 ( -0.657 -1.313 -11.204) 11.299 7.635 ( 0.657 1.313 -11.204) 11.299 7.801 ( -0.000 -0.000 -3.064) 3.064 8.004 ( -0.000 -0.000 0.995) 0.995 8.181 ( -0.000 0.000 -5.515) 5.515 8.191 ( -3.404 -6.809 12.812) 14.902 8.191 ( 3.404 6.808 12.812) 14.902 8.706 ( -2.058 -4.117 -12.160) 13.002 8.706 ( 2.058 4.117 -12.160) 13.002 9.264 ( -1.568 -3.135 7.517) 8.294 9.264 ( 1.568 3.135 7.517) 8.294 9.353 ( -0.000 0.000 6.773) 6.773 9.482 ( -2.483 -4.965 -3.292) 6.454 9.482 ( 2.483 4.965 -3.292) 6.454 9.692 ( 0.000 -0.000 -6.851) 6.851 10.125 ( -0.000 0.000 2.630) 2.630 10.135 ( -2.747 -5.494 4.788) 7.787 10.135 ( 2.747 5.494 4.788) 7.787 10.296 ( -1.058 -2.116 -0.683) 2.462 10.296 ( 1.058 2.116 -0.683) 2.462 10.352 ( -0.000 -0.000 -1.266) 1.266 10.550 ( -2.019 -4.038 -2.247) 5.043 10.550 ( 2.019 4.038 -2.247) 5.043 10.553 ( 0.000 -0.000 2.387) 2.387 10.620 ( -2.336 -4.671 -3.273) 6.164 10.620 ( 2.336 4.671 -3.273) 6.164 10.725 ( 0.000 -0.000 -1.804) 1.804 11.389 ( -0.203 -0.406 4.117) 4.142 11.389 ( 0.203 0.406 4.117) 4.142 11.649 ( -0.529 -1.057 -8.112) 8.198 11.649 ( 0.529 1.057 -8.112) 8.198 11.902 ( -0.000 -0.000 1.336) 1.336 11.935 ( 0.000 -0.000 0.150) 0.150 12.681 ( -0.403 -0.805 5.943) 6.011 12.681 ( 0.403 0.805 5.943) 6.011 12.848 ( -0.423 -0.846 -2.364) 2.546 12.848 ( 0.423 0.846 -2.364) 2.546 13.141 ( -0.000 -0.000 -0.211) 0.211 13.171 ( -0.000 -0.000 -1.456) 1.456 13.635 ( -0.902 -1.805 6.454) 6.762 13.635 ( 0.902 1.805 6.454) 6.762 13.934 ( -1.368 -2.737 -6.567) 7.245 13.934 ( 1.368 2.737 -6.567) 7.245 14.988 ( -0.000 -0.000 7.346) 7.346 15.164 ( -6.588 -13.175 7.757) 16.648 15.164 ( 6.588 13.175 7.757) 16.648 15.384 ( -0.000 -0.000 -9.951) 9.951 15.534 ( -5.692 -11.384 -8.858) 15.507 15.534 ( 5.692 11.384 -8.858) 15.507 15.783 ( -0.000 -0.000 13.179) 13.179 16.427 ( -0.000 -0.000 -16.889) 16.889 17.137 ( -2.671 -5.342 10.903) 12.432 17.137 ( 2.671 5.342 10.903) 12.432 17.594 ( -3.314 -6.628 -9.376) 11.951 17.594 ( 3.314 6.628 -9.376) 11.951 17.803 ( -0.000 -0.000 19.375) 19.375 18.629 ( -0.000 -0.000 -21.633) 21.633 19.670 ( -0.000 -0.000 17.653) 17.653 20.196 ( -0.000 -0.000 -8.423) 8.423 20.936 ( -2.661 -5.322 6.711) 8.969 20.936 ( 2.661 5.322 6.711) 8.969 21.243 ( -1.242 -2.484 -6.724) 7.275 21.243 ( 1.242 2.484 -6.724) 7.275 24.072 ( -1.534 -3.068 6.326) 7.196 24.072 ( 1.534 3.068 6.326) 7.196 24.346 ( -1.895 -3.789 -5.593) 7.016 24.346 ( 1.895 3.789 -5.593) 7.016 ======================= Grid point 314 (51/69) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 0.000 -38.024) 38.024 1.396 ( 0.000 0.000 -38.024) 38.024 1.396 ( 0.000 -0.000 38.024) 38.024 1.396 ( 0.000 -0.000 38.024) 38.024 2.891 ( 0.000 0.000 -74.990) 74.990 2.891 ( 0.000 0.000 74.990) 74.990 3.816 ( 0.000 0.000 -24.176) 24.176 3.816 ( 0.000 0.000 -24.176) 24.176 3.816 ( 0.000 0.000 24.176) 24.176 3.816 ( 0.000 -0.000 24.176) 24.176 5.107 ( 0.000 -0.000 -14.824) 14.824 5.107 ( 0.000 0.000 -14.824) 14.824 5.107 ( 0.000 -0.000 14.824) 14.824 5.107 ( 0.000 0.000 14.824) 14.824 6.110 ( 0.000 0.000 -2.022) 2.022 6.110 ( 0.000 0.000 2.022) 2.022 6.387 ( 0.000 0.000 -2.193) 2.193 6.387 ( 0.000 0.000 2.193) 2.193 7.592 ( 0.000 0.000 -11.405) 11.405 7.592 ( 0.000 0.000 -11.405) 11.405 7.592 ( 0.000 0.000 11.405) 11.405 7.592 ( 0.000 0.000 11.405) 11.405 7.857 ( 0.000 0.000 -15.477) 15.477 7.857 ( 0.000 0.000 15.477) 15.477 8.262 ( 0.000 0.000 -18.498) 18.498 8.262 ( 0.000 0.000 18.498) 18.498 8.592 ( -0.000 0.000 -1.901) 1.901 8.592 ( 0.000 0.000 -1.901) 1.901 8.592 ( 0.000 0.000 1.901) 1.901 8.592 ( 0.000 0.000 1.901) 1.901 8.819 ( 0.000 0.000 -1.933) 1.933 8.819 ( 0.000 0.000 1.933) 1.933 9.209 ( 0.000 0.000 -7.555) 7.555 9.209 ( -0.000 0.000 -7.555) 7.555 9.209 ( -0.000 -0.000 7.555) 7.555 9.209 ( 0.000 -0.000 7.555) 7.555 9.981 ( 0.000 0.000 -4.439) 4.439 9.981 ( 0.000 -0.000 -4.439) 4.439 9.981 ( -0.000 -0.000 4.439) 4.439 9.981 ( -0.000 0.000 4.439) 4.439 10.409 ( 0.000 0.000 -9.664) 9.664 10.409 ( 0.000 0.000 9.664) 9.664 10.451 ( 0.000 0.000 -2.238) 2.238 10.451 ( 0.000 -0.000 -2.238) 2.238 10.451 ( -0.000 0.000 2.238) 2.238 10.451 ( 0.000 0.000 2.238) 2.238 11.325 ( 0.000 -0.000 -9.495) 9.495 11.325 ( 0.000 -0.000 -9.495) 9.495 11.325 ( 0.000 0.000 9.495) 9.495 11.325 ( 0.000 0.000 9.495) 9.495 12.100 ( 0.000 0.000 -1.509) 1.509 12.100 ( 0.000 0.000 1.509) 1.509 12.350 ( 0.000 0.000 -9.531) 9.531 12.350 ( 0.000 -0.000 -9.531) 9.531 12.350 ( 0.000 0.000 9.531) 9.531 12.350 ( -0.000 0.000 9.531) 9.531 12.947 ( 0.000 0.000 -14.975) 14.975 12.947 ( 0.000 0.000 14.975) 14.975 13.077 ( 0.000 0.000 -2.186) 2.186 13.077 ( 0.000 0.000 -2.186) 2.186 13.077 ( 0.000 0.000 2.186) 2.186 13.077 ( 0.000 0.000 2.186) 2.186 14.136 ( 0.000 0.000 -13.364) 13.364 14.136 ( 0.000 0.000 13.364) 13.364 14.381 ( 0.000 0.000 -7.152) 7.152 14.381 ( 0.000 0.000 -7.152) 7.152 14.381 ( 0.000 0.000 7.152) 7.152 14.381 ( 0.000 0.000 7.152) 7.152 15.673 ( 0.000 0.000 -7.392) 7.392 15.673 ( 0.000 0.000 7.392) 7.392 15.858 ( 0.000 -0.000 -0.479) 0.479 15.858 ( 0.000 0.000 -0.479) 0.479 15.858 ( 0.000 0.000 0.479) 0.479 15.858 ( -0.000 -0.000 0.479) 0.479 16.932 ( 0.000 0.000 -11.844) 11.844 16.932 ( 0.000 -0.000 -11.844) 11.844 16.932 ( 0.000 0.000 11.844) 11.844 16.932 ( 0.000 0.000 11.844) 11.844 17.840 ( 0.000 0.000 -3.667) 3.667 17.840 ( 0.000 0.000 3.667) 3.667 18.447 ( 0.000 0.000 -5.769) 5.769 18.447 ( 0.000 0.000 -5.769) 5.769 18.447 ( -0.000 0.000 5.769) 5.769 18.447 ( 0.000 0.000 5.769) 5.769 22.248 ( 0.000 0.000 -1.229) 1.229 22.248 ( 0.000 0.000 1.229) 1.229 24.036 ( 0.000 0.000 -0.357) 0.357 24.036 ( 0.000 0.000 0.357) 0.357 24.938 ( 0.000 0.000 -0.520) 0.520 24.938 ( 0.000 0.000 0.520) 0.520 ======================= Grid point 316 (52/69) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -4.700 -2.714 31.062) 31.533 1.630 ( 12.506 7.220 -31.935) 35.048 1.795 ( 36.670 21.172 -21.289) 47.393 2.036 ( 36.471 21.056 28.149) 50.655 3.017 ( 12.138 7.008 -66.889) 68.342 3.043 ( 16.167 9.334 64.153) 66.814 3.714 ( -2.089 -1.206 19.191) 19.342 3.845 ( 6.715 3.877 -18.897) 20.426 4.031 ( 11.546 6.666 -9.778) 16.533 4.147 ( 18.394 10.620 9.872) 23.421 5.094 ( 0.185 0.107 -10.744) 10.746 5.186 ( 4.773 2.755 10.430) 11.796 5.197 ( 8.143 4.701 13.358) 16.335 5.299 ( 14.000 8.083 -13.422) 21.012 6.100 ( -1.223 -0.706 -0.729) 1.590 6.106 ( -0.257 -0.148 1.025) 1.067 6.323 ( -5.195 -3.000 -0.842) 6.058 6.325 ( -4.941 -2.853 0.678) 5.746 7.549 ( -3.393 -1.959 -4.657) 6.085 7.566 ( -2.143 -1.238 6.193) 6.669 7.592 ( -1.447 -0.836 7.177) 7.369 7.601 ( -1.458 -0.842 -8.716) 8.877 7.829 ( -2.360 -1.363 17.216) 17.430 7.842 ( -1.016 -0.586 -17.051) 17.091 8.116 ( -11.457 -6.614 -11.793) 17.722 8.125 ( -8.736 -5.044 10.432) 14.511 8.475 ( -7.392 -4.268 0.242) 8.540 8.497 ( -8.281 -4.781 1.186) 9.636 8.632 ( 4.362 2.519 1.330) 5.210 8.685 ( 6.296 3.635 -2.117) 7.572 8.779 ( -5.308 -3.065 -1.135) 6.234 8.833 ( 1.001 0.578 4.801) 4.939 9.033 ( -9.735 -5.620 5.554) 12.538 9.068 ( -11.424 -6.596 -5.199) 14.179 9.153 ( -3.169 -1.829 -8.843) 9.570 9.219 ( -1.042 -0.601 7.087) 7.188 9.923 ( -3.190 -1.841 -4.142) 5.543 10.027 ( 4.900 2.829 2.802) 6.314 10.039 ( 2.461 1.421 3.806) 4.750 10.108 ( 6.199 3.579 -3.020) 7.769 10.300 ( -5.074 -2.930 5.341) 7.928 10.359 ( -3.851 -2.224 -6.569) 7.933 10.404 ( -2.143 -1.237 -1.072) 2.697 10.458 ( -2.039 -1.177 0.329) 2.378 10.472 ( -2.008 -1.159 -3.474) 4.177 10.486 ( 2.276 1.314 5.635) 6.218 11.197 ( -5.786 -3.341 4.220) 7.902 11.233 ( -2.150 -1.241 -3.055) 3.937 11.402 ( -0.329 -0.190 -11.000) 11.006 11.447 ( 4.599 2.655 9.253) 10.669 11.908 ( -13.996 -8.081 6.918) 17.580 11.993 ( -6.936 -4.004 -2.074) 8.273 12.004 ( -22.611 -13.055 -11.689) 28.607 12.022 ( -19.047 -10.997 6.711) 22.995 12.233 ( -6.945 -4.010 3.753) 8.854 12.383 ( 0.496 0.286 -3.526) 3.572 12.815 ( -1.987 -1.147 1.303) 2.639 12.952 ( 0.312 0.180 -1.501) 1.543 13.045 ( -0.800 -0.462 0.307) 0.973 13.051 ( 2.660 1.536 0.563) 3.123 13.109 ( 0.855 0.493 -1.066) 1.453 13.177 ( 7.523 4.344 2.891) 9.156 14.024 ( -4.562 -2.634 10.044) 11.342 14.063 ( -1.875 -1.082 -12.147) 12.339 14.365 ( 0.386 0.223 -6.524) 6.539 14.426 ( 1.829 1.056 4.816) 5.258 14.697 ( 8.095 4.674 14.831) 17.531 14.819 ( 21.409 12.360 -14.246) 28.531 15.431 ( -13.216 -7.631 5.908) 16.365 15.454 ( -12.613 -7.282 -4.901) 15.367 15.810 ( -3.410 -1.969 0.685) 3.997 15.846 ( -0.303 -0.175 -0.504) 0.614 15.953 ( 3.136 1.811 0.644) 3.678 16.042 ( 10.372 5.988 -0.367) 11.982 16.780 ( -4.607 -2.660 -12.378) 13.473 16.865 ( -1.965 -1.135 8.597) 8.892 17.024 ( 6.683 3.858 6.244) 9.927 17.105 ( 11.005 6.354 -2.917) 13.038 18.199 ( 3.306 1.909 -8.032) 8.893 18.400 ( -0.523 -0.302 2.412) 2.487 18.410 ( 18.465 10.661 11.550) 24.249 18.537 ( 5.653 3.264 -2.034) 6.837 18.726 ( 34.020 19.641 12.693) 41.282 18.773 ( 41.548 23.988 -16.838) 50.845 22.198 ( -4.489 -2.592 1.667) 5.445 22.200 ( -4.174 -2.410 -1.674) 5.102 24.135 ( 6.780 3.914 5.425) 9.525 24.151 ( 8.755 5.055 -5.974) 11.743 24.899 ( -3.700 -2.136 -1.008) 4.390 24.916 ( -1.653 -0.955 1.601) 2.491 ======================= Grid point 318 (53/69) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 12.038 6.950 19.323) 23.803 1.974 ( 18.667 10.778 -23.070) 31.573 2.578 ( 27.728 16.009 -19.790) 37.640 2.629 ( 16.807 9.704 35.308) 40.290 3.502 ( 32.393 18.702 -39.964) 54.737 3.676 ( 22.145 12.785 23.578) 34.782 3.719 ( 14.947 8.630 27.449) 32.424 4.057 ( 15.011 8.666 -13.728) 22.110 4.299 ( 12.444 7.185 -14.894) 20.696 4.526 ( 14.886 8.595 9.445) 19.613 5.094 ( 0.143 0.083 -7.608) 7.610 5.283 ( 3.267 1.886 5.728) 6.859 5.393 ( 8.866 5.119 10.250) 14.487 5.634 ( 13.615 7.860 -9.075) 18.152 6.012 ( -7.913 -4.569 6.381) 11.145 6.098 ( -1.244 -0.718 -7.335) 7.474 6.218 ( -1.202 -0.694 8.360) 8.475 6.227 ( -2.416 -1.395 -6.513) 7.085 7.411 ( -9.414 -5.435 9.350) 14.338 7.472 ( -9.604 -5.545 -12.290) 16.554 7.476 ( -5.647 -3.260 -6.998) 9.566 7.517 ( -4.809 -2.776 9.404) 10.921 7.767 ( -4.151 -2.397 16.487) 17.170 7.771 ( -9.324 -5.383 -12.038) 16.151 7.884 ( -4.451 -2.570 -7.845) 9.379 8.019 ( -0.678 -0.392 3.264) 3.356 8.303 ( -8.002 -4.620 0.532) 9.255 8.305 ( -6.975 -4.027 -0.386) 8.063 8.616 ( -7.434 -4.292 4.683) 9.779 8.718 ( 0.655 0.378 2.029) 2.165 8.750 ( -8.553 -4.938 -1.238) 9.954 8.830 ( 4.544 2.624 -6.400) 8.276 8.866 ( -4.882 -2.818 0.455) 5.655 8.959 ( 5.240 3.025 5.701) 8.313 9.085 ( -2.391 -1.381 -8.715) 9.142 9.153 ( -4.900 -2.829 8.319) 10.061 9.844 ( -4.352 -2.513 -2.837) 5.771 10.030 ( -4.308 -2.487 -2.038) 5.376 10.119 ( 0.970 0.560 -4.756) 4.886 10.142 ( 1.007 0.582 9.675) 9.744 10.255 ( -3.298 -1.904 -1.412) 4.062 10.277 ( -3.821 -2.206 5.005) 6.672 10.354 ( -7.349 -4.243 -1.251) 8.577 10.356 ( 1.352 0.781 -0.672) 1.699 10.392 ( -3.242 -1.872 -2.885) 4.726 10.561 ( 4.216 2.434 0.383) 4.884 11.025 ( -10.244 -5.914 4.365) 12.608 11.226 ( 1.030 0.595 0.656) 1.359 11.243 ( -13.378 -7.724 -11.477) 19.245 11.499 ( 0.382 0.221 7.484) 7.497 11.658 ( -10.766 -6.216 4.205) 13.124 11.708 ( -5.145 -2.971 -8.139) 10.076 11.765 ( -2.385 -1.377 3.752) 4.655 11.844 ( -6.091 -3.517 -3.177) 7.718 12.083 ( -4.782 -2.761 6.572) 8.583 12.409 ( 2.053 1.185 -5.995) 6.447 12.745 ( -5.482 -3.165 3.570) 7.268 12.815 ( -8.477 -4.894 -1.614) 9.921 13.092 ( 1.177 0.679 1.860) 2.304 13.126 ( 3.119 1.801 -1.430) 3.876 13.145 ( 1.788 1.032 -1.757) 2.711 13.404 ( 10.623 6.133 -2.423) 12.503 13.948 ( -1.957 -1.130 5.758) 6.186 14.060 ( 1.642 0.948 -8.665) 8.870 14.382 ( 0.702 0.405 -6.203) 6.256 14.445 ( -0.940 -0.543 5.549) 5.655 14.654 ( -8.036 -4.640 16.569) 18.991 15.080 ( 1.823 1.053 -14.437) 14.589 15.184 ( -11.064 -6.388 -4.410) 13.516 15.213 ( -6.180 -3.568 8.781) 11.315 15.749 ( -1.826 -1.054 0.386) 2.144 15.836 ( -1.612 -0.930 0.588) 1.952 16.037 ( 6.141 3.545 2.548) 7.535 16.282 ( 11.371 6.565 -4.605) 13.915 16.757 ( 1.872 1.081 -11.175) 11.382 16.819 ( -2.153 -1.243 9.114) 9.447 17.170 ( 5.083 2.934 -0.399) 5.883 17.418 ( 16.484 9.517 1.084) 19.065 18.160 ( -3.124 -1.804 3.635) 5.121 18.430 ( 3.159 1.824 -0.031) 3.648 18.572 ( 4.564 2.635 -4.359) 6.840 18.699 ( 7.816 4.512 1.958) 9.235 19.544 ( 30.710 17.730 24.117) 42.885 19.639 ( 31.596 18.242 -23.863) 43.595 22.055 ( -8.144 -4.702 2.690) 9.781 22.071 ( -7.213 -4.164 -2.777) 8.779 24.251 ( 2.787 1.609 8.879) 9.444 24.345 ( 7.640 4.411 -11.472) 14.472 24.776 ( -7.147 -4.127 -1.624) 8.411 24.869 ( -2.623 -1.514 4.190) 5.170 ======================= Grid point 320 (54/69) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 25.851 14.925 8.489) 31.034 2.448 ( 23.575 13.611 -13.401) 30.342 2.924 ( 11.607 6.701 31.187) 33.945 3.027 ( 15.713 9.072 -23.482) 29.675 3.728 ( 2.080 1.201 23.700) 23.821 4.166 ( 11.352 6.554 -10.352) 16.703 4.184 ( 18.992 10.965 -18.928) 28.969 4.667 ( 17.080 9.861 -10.891) 22.529 4.749 ( 37.081 21.409 6.945) 43.377 4.760 ( 13.292 7.674 1.720) 15.444 5.164 ( 6.858 3.959 -0.133) 7.920 5.328 ( 1.644 0.949 2.685) 3.288 5.574 ( 5.762 3.327 1.424) 6.804 5.755 ( -3.285 -1.896 1.092) 3.947 5.810 ( -5.878 -3.394 9.559) 11.723 6.099 ( 3.100 1.790 -4.322) 5.611 6.200 ( -0.988 -0.571 -7.497) 7.584 6.359 ( 12.150 7.015 6.189) 15.333 7.161 ( -12.195 -7.041 8.853) 16.633 7.220 ( -12.193 -7.039 -9.906) 17.215 7.330 ( -7.544 -4.355 -9.022) 12.541 7.435 ( -1.959 -1.131 5.380) 5.836 7.512 ( -10.982 -6.340 0.358) 12.685 7.590 ( -11.463 -6.618 10.039) 16.613 7.838 ( -2.407 -1.390 -10.859) 11.209 8.021 ( -2.456 -1.418 4.315) 5.163 8.189 ( -1.457 -0.841 -1.817) 2.476 8.201 ( -1.768 -1.021 -1.295) 2.418 8.468 ( -6.458 -3.729 1.401) 7.588 8.574 ( -2.680 -1.547 -4.188) 5.207 8.726 ( -5.070 -2.927 1.306) 5.998 8.758 ( 1.271 0.734 6.480) 6.644 8.934 ( 2.407 1.390 -5.798) 6.430 9.001 ( -7.600 -4.388 9.666) 13.056 9.073 ( 1.528 0.882 -4.983) 5.286 9.121 ( 6.490 3.747 3.460) 8.254 9.710 ( -7.565 -4.368 0.192) 8.738 9.912 ( -5.773 -3.333 -1.921) 6.937 10.062 ( -4.235 -2.445 -12.966) 13.858 10.119 ( -5.979 -3.452 6.774) 9.672 10.183 ( -4.935 -2.849 -0.207) 5.702 10.205 ( -4.666 -2.694 -4.658) 7.123 10.205 ( 1.828 1.055 10.135) 10.352 10.392 ( 2.993 1.728 4.180) 5.423 10.396 ( 0.363 0.210 -0.739) 0.850 10.623 ( 0.464 0.268 -3.981) 4.017 10.780 ( -10.809 -6.241 4.968) 13.434 10.910 ( -14.629 -8.446 -7.629) 18.535 11.253 ( 1.047 0.604 3.045) 3.276 11.429 ( -8.647 -4.992 0.264) 9.988 11.506 ( 0.194 0.112 3.176) 3.183 11.645 ( -2.383 -1.376 0.523) 2.801 11.698 ( -5.817 -3.358 -6.141) 9.101 11.735 ( -4.117 -2.377 -1.065) 4.872 12.111 ( 6.605 3.814 9.073) 11.853 12.463 ( 2.507 1.447 -8.422) 8.905 12.621 ( -4.444 -2.566 0.551) 5.161 12.645 ( -6.031 -3.482 0.185) 6.967 13.053 ( -3.235 -1.867 1.069) 3.885 13.122 ( -3.422 -1.976 -1.826) 4.353 13.212 ( 2.605 1.504 3.530) 4.638 13.570 ( 4.016 2.319 -9.064) 10.181 13.940 ( 0.940 0.542 2.163) 2.420 14.128 ( 3.614 2.087 -3.465) 5.424 14.317 ( -8.937 -5.160 14.683) 17.947 14.388 ( -0.269 -0.155 -5.696) 5.704 14.567 ( 1.366 0.789 5.351) 5.579 14.947 ( -8.153 -4.707 -2.491) 9.739 15.012 ( -7.335 -4.235 -12.758) 15.313 15.111 ( -4.218 -2.435 11.736) 12.706 15.696 ( -3.524 -2.035 -0.824) 4.152 15.744 ( -6.829 -3.943 1.693) 8.065 16.238 ( 10.928 6.309 3.378) 13.063 16.546 ( 12.273 7.086 -10.515) 17.646 16.786 ( 0.317 0.183 8.681) 8.689 16.832 ( 3.676 2.122 -8.630) 9.617 17.230 ( 0.426 0.246 -1.601) 1.675 17.772 ( 12.717 7.342 -0.858) 14.709 18.121 ( 1.494 0.863 11.627) 11.754 18.531 ( 5.696 3.288 0.365) 6.587 18.677 ( 4.837 2.792 -5.111) 7.570 18.861 ( 6.556 3.785 -1.104) 7.650 20.076 ( 18.627 10.754 15.979) 26.795 20.186 ( 19.115 11.036 -15.171) 26.783 21.851 ( -9.910 -5.721 3.604) 11.997 21.893 ( -8.637 -4.986 -3.894) 10.706 24.258 ( -1.754 -1.012 8.595) 8.830 24.466 ( 2.699 1.558 -12.987) 13.356 24.603 ( -7.505 -4.333 -2.096) 8.915 24.799 ( -3.611 -2.085 6.409) 7.646 ======================= Grid point 322 (55/69) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 27.919 16.119 2.261) 32.317 2.986 ( 24.005 13.860 -8.091) 28.876 3.167 ( 10.406 6.008 26.523) 29.117 3.352 ( 14.576 8.415 -16.408) 23.505 3.801 ( 4.728 2.730 16.537) 17.415 4.340 ( 3.648 2.106 -9.004) 9.940 4.364 ( 1.291 0.745 -14.988) 15.062 4.669 ( -5.020 -2.898 -4.912) 7.598 5.104 ( -3.766 -2.174 2.400) 4.967 5.283 ( 8.221 4.746 -3.683) 10.182 5.452 ( 5.478 3.163 6.188) 8.848 5.492 ( 21.577 12.457 3.527) 25.163 5.635 ( 8.968 5.178 -11.233) 15.278 5.666 ( 2.403 1.387 8.237) 8.692 5.913 ( 8.361 4.827 5.250) 10.989 6.193 ( 4.915 2.838 0.893) 5.745 6.198 ( 3.402 1.964 -1.348) 4.153 6.618 ( 8.575 4.951 4.910) 11.052 6.917 ( -8.526 -4.923 7.099) 12.138 6.966 ( -10.135 -5.851 -7.702) 14.010 7.135 ( -9.147 -5.281 -7.140) 12.749 7.302 ( -12.798 -7.389 7.233) 16.453 7.369 ( -1.519 -0.877 -0.499) 1.823 7.440 ( 1.434 0.828 -1.405) 2.171 7.757 ( -4.561 -2.633 -5.485) 7.604 7.841 ( -10.984 -6.342 3.550) 13.171 8.238 ( 4.997 2.885 -4.959) 7.608 8.238 ( 3.512 2.028 0.509) 4.088 8.326 ( -5.739 -3.313 -5.459) 8.586 8.607 ( 0.370 0.213 -1.533) 1.591 8.647 ( -2.020 -1.166 2.433) 3.371 8.756 ( -1.337 -0.772 14.615) 14.697 8.884 ( 0.757 0.437 1.311) 1.576 8.975 ( 2.011 1.161 -2.984) 3.781 9.123 ( 2.184 1.261 -0.460) 2.563 9.229 ( 3.036 1.753 0.421) 3.531 9.533 ( -8.045 -4.645 -1.710) 9.446 9.775 ( -6.370 -3.677 -0.937) 7.414 9.960 ( -4.058 -2.343 -7.450) 8.801 10.000 ( -4.664 -2.693 5.643) 7.800 10.051 ( -6.248 -3.607 2.835) 7.752 10.174 ( 0.778 0.449 -10.959) 10.996 10.234 ( -0.111 -0.064 8.353) 8.354 10.340 ( -6.064 -3.501 -0.438) 7.015 10.463 ( 2.577 1.488 3.849) 4.865 10.575 ( -2.988 -1.725 -9.997) 10.576 10.582 ( -6.105 -3.525 5.639) 9.028 10.668 ( -6.917 -3.993 0.782) 8.025 11.264 ( -0.151 -0.087 3.260) 3.264 11.313 ( -1.503 -0.868 -2.431) 2.987 11.497 ( -2.424 -1.400 -1.089) 3.004 11.560 ( -4.342 -2.507 -4.162) 6.517 11.597 ( -1.639 -0.946 0.906) 2.098 11.628 ( -5.576 -3.220 5.138) 8.238 12.232 ( 2.010 1.160 4.133) 4.740 12.498 ( -1.360 -0.785 -5.017) 5.257 12.563 ( -0.078 -0.045 -0.402) 0.412 12.610 ( 4.011 2.316 -2.443) 5.237 12.957 ( -5.227 -3.018 0.970) 6.113 13.019 ( -5.243 -3.027 -1.466) 6.230 13.256 ( 2.478 1.431 4.971) 5.736 13.607 ( 0.324 0.187 -10.032) 10.039 13.975 ( 2.107 1.217 -2.189) 3.273 14.077 ( -7.576 -4.374 10.870) 13.953 14.259 ( 2.958 1.708 4.661) 5.779 14.355 ( -3.309 -1.910 -3.491) 5.176 14.666 ( 7.019 4.052 1.713) 8.284 14.790 ( -6.865 -3.963 -6.532) 10.271 14.878 ( -2.474 -1.428 -8.475) 8.944 14.993 ( -6.549 -3.781 14.762) 16.586 15.545 ( -10.541 -6.086 0.764) 12.196 15.587 ( -6.337 -3.659 -1.003) 7.386 16.478 ( 10.207 5.893 3.565) 12.313 16.757 ( 5.187 2.995 -5.924) 8.425 16.883 ( 4.589 2.649 4.864) 7.193 16.919 ( 8.925 5.153 -14.122) 17.482 17.198 ( -3.067 -1.770 -0.678) 3.605 17.848 ( -3.714 -2.144 8.986) 9.957 18.320 ( 13.594 7.848 4.455) 16.317 18.676 ( 7.291 4.210 2.340) 8.738 18.773 ( 3.457 1.996 -3.535) 5.332 18.980 ( 4.027 2.325 -3.920) 6.081 20.411 ( 12.258 7.077 9.452) 17.021 20.526 ( 12.102 6.987 -8.162) 16.184 21.633 ( -9.403 -5.429 3.960) 11.558 21.699 ( -8.613 -4.973 -4.524) 10.926 24.196 ( -3.227 -1.863 7.675) 8.531 24.383 ( -7.640 -4.411 -5.922) 10.626 24.550 ( 0.839 0.484 -9.727) 9.775 24.716 ( -3.743 -2.161 7.955) 9.053 ======================= Grid point 324 (56/69) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 21.031 12.142 -1.972) 24.364 3.295 ( 3.428 1.979 4.373) 5.898 3.545 ( 22.784 13.154 15.090) 30.329 3.692 ( 15.975 9.223 -6.145) 19.443 3.939 ( 7.458 4.306 7.610) 11.492 4.305 ( -5.825 -3.363 -11.253) 13.111 4.307 ( -6.395 -3.692 -7.089) 10.236 4.456 ( -14.914 -8.610 -7.237) 18.680 5.008 ( -0.296 -0.171 -2.409) 2.434 5.286 ( -8.203 -4.736 10.023) 13.791 5.494 ( 7.182 4.146 2.460) 8.650 5.706 ( 5.322 3.072 -3.912) 7.284 5.783 ( 1.882 1.086 3.256) 3.915 5.821 ( -3.111 -1.796 -8.871) 9.571 6.111 ( 11.461 6.617 4.786) 14.072 6.290 ( 2.444 1.411 1.810) 3.353 6.437 ( 14.082 8.130 2.400) 16.437 6.690 ( -1.170 -0.675 6.758) 6.892 6.785 ( -5.900 -3.406 -6.796) 9.623 6.812 ( -2.324 -1.342 4.984) 5.661 7.001 ( -2.056 -1.187 -8.781) 9.096 7.061 ( -7.588 -4.381 6.937) 11.176 7.395 ( 2.563 1.480 -0.660) 3.032 7.483 ( 1.440 0.831 -3.903) 4.242 7.641 ( -5.827 -3.364 0.369) 6.738 7.657 ( -3.918 -2.262 -1.642) 4.812 8.238 ( -1.830 -1.056 -10.781) 10.986 8.305 ( 1.048 0.605 8.953) 9.034 8.368 ( 5.461 3.153 -6.455) 9.024 8.473 ( -6.419 -3.706 7.956) 10.873 8.641 ( 1.713 0.989 2.506) 3.193 8.797 ( 0.383 0.221 1.479) 1.544 8.975 ( 5.630 3.251 -0.394) 6.513 9.032 ( 3.187 1.840 0.639) 3.735 9.148 ( -0.210 -0.121 -0.776) 0.813 9.260 ( -1.888 -1.090 -3.016) 3.722 9.390 ( -1.888 -1.090 2.154) 3.064 9.636 ( -6.573 -3.795 -0.437) 7.602 9.892 ( -2.037 -1.176 -5.832) 6.288 9.909 ( -3.165 -1.827 4.662) 5.924 9.962 ( -1.021 -0.590 3.443) 3.639 10.155 ( -7.650 -4.417 0.791) 8.869 10.192 ( 0.455 0.263 -9.188) 9.203 10.219 ( -1.924 -1.111 4.087) 4.652 10.464 ( -0.986 -0.569 -2.724) 2.952 10.532 ( -3.018 -1.743 2.281) 4.165 10.560 ( 2.250 1.299 8.798) 9.173 10.584 ( 0.229 0.132 -7.164) 7.169 11.252 ( -0.497 -0.287 2.308) 2.378 11.332 ( 1.753 1.012 -2.046) 2.878 11.381 ( -5.087 -2.937 -3.662) 6.922 11.505 ( -4.970 -2.869 5.280) 7.798 11.544 ( 0.764 0.441 -2.754) 2.892 11.577 ( -0.487 -0.281 2.356) 2.422 12.233 ( -0.169 -0.098 1.132) 1.149 12.395 ( -6.177 -3.566 -0.660) 7.163 12.626 ( 3.951 2.281 -1.705) 4.870 12.722 ( 3.998 2.308 -0.592) 4.655 12.844 ( -4.170 -2.407 0.021) 4.815 12.912 ( -4.190 -2.419 -1.148) 4.972 13.354 ( 6.322 3.650 2.349) 7.668 13.604 ( -1.281 -0.739 -4.014) 4.278 13.934 ( -3.801 -2.194 6.526) 7.864 14.025 ( 1.222 0.705 -7.850) 7.976 14.246 ( -4.493 -2.594 0.603) 5.223 14.306 ( 0.543 0.314 6.178) 6.210 14.665 ( -3.669 -2.118 -12.415) 13.118 14.759 ( -4.932 -2.848 11.053) 12.434 14.917 ( 5.174 2.987 -3.474) 6.911 14.934 ( 7.844 4.529 5.829) 10.771 15.303 ( -10.806 -6.239 -0.071) 12.478 15.414 ( -9.332 -5.388 -1.114) 10.833 16.678 ( 7.703 4.447 3.013) 9.391 16.863 ( 5.149 2.973 -1.435) 6.117 16.891 ( -1.698 -0.980 -1.674) 2.578 17.106 ( -5.017 -2.896 0.237) 5.797 17.207 ( 13.522 7.807 -15.695) 22.139 17.707 ( -8.377 -4.837 15.300) 18.102 18.595 ( 10.215 5.898 -0.198) 11.798 18.813 ( -0.083 -0.048 -1.559) 1.562 18.843 ( 7.378 4.260 4.858) 9.807 19.029 ( 0.138 0.080 -5.388) 5.390 20.637 ( 8.240 4.758 5.646) 11.064 20.728 ( 5.817 3.359 -4.478) 8.073 21.458 ( -5.688 -3.284 3.923) 7.650 21.522 ( -7.015 -4.050 -4.526) 9.279 24.139 ( -1.547 -0.893 6.713) 6.947 24.229 ( -5.708 -3.296 -5.414) 8.530 24.567 ( 0.713 0.412 -10.287) 10.320 24.640 ( -2.911 -1.681 9.008) 9.615 ======================= Grid point 326 (57/69) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( -8.905 -5.141 5.177) 11.512 3.237 ( 8.905 5.141 -5.177) 11.512 4.007 ( -2.431 -1.403 -6.199) 6.805 4.007 ( 2.431 1.403 6.199) 6.805 4.038 ( -13.425 -7.751 -16.038) 22.305 4.038 ( 13.425 7.751 16.038) 22.305 4.180 ( -4.117 -2.377 -5.301) 7.120 4.180 ( 4.117 2.377 5.301) 7.121 5.096 ( 7.344 4.240 -9.406) 12.665 5.096 ( -7.344 -4.240 9.406) 12.665 5.676 ( -8.167 -4.715 -5.420) 10.877 5.676 ( 8.167 4.715 5.420) 10.877 5.780 ( 1.492 0.861 -2.020) 2.655 5.780 ( -1.492 -0.861 2.020) 2.655 6.277 ( -3.564 -2.057 0.005) 4.115 6.277 ( 3.564 2.057 -0.005) 4.115 6.641 ( 3.230 1.865 -6.013) 7.076 6.641 ( -3.230 -1.865 6.013) 7.076 6.747 ( -3.026 -1.747 1.564) 3.829 6.747 ( 3.026 1.747 -1.564) 3.829 6.988 ( 0.081 0.047 -7.529) 7.529 6.988 ( -0.081 -0.047 7.529) 7.529 7.463 ( -3.086 -1.782 -0.455) 3.593 7.463 ( 3.086 1.782 0.455) 3.593 7.597 ( 1.228 0.709 -2.206) 2.623 7.597 ( -1.228 -0.709 2.206) 2.623 8.250 ( 2.973 1.717 -15.937) 16.303 8.250 ( -2.973 -1.717 15.937) 16.303 8.433 ( 0.322 0.186 -4.211) 4.228 8.433 ( -0.322 -0.186 4.211) 4.228 8.726 ( -5.189 -2.996 -1.211) 6.113 8.726 ( 5.189 2.996 1.211) 6.113 9.081 ( -2.244 -1.296 -1.667) 3.081 9.081 ( 2.244 1.296 1.667) 3.081 9.152 ( -4.047 -2.337 -4.532) 6.510 9.152 ( 4.047 2.337 4.532) 6.510 9.478 ( -6.935 -4.004 -3.768) 8.851 9.478 ( 6.935 4.004 3.768) 8.851 9.874 ( 0.240 0.138 -5.600) 5.607 9.874 ( -0.240 -0.138 5.600) 5.607 10.008 ( -4.888 -2.822 -2.420) 6.141 10.008 ( 4.888 2.822 2.420) 6.141 10.197 ( 0.304 0.175 -6.573) 6.583 10.197 ( -0.304 -0.175 6.573) 6.583 10.473 ( 1.718 0.992 -6.094) 6.409 10.473 ( -1.718 -0.992 6.094) 6.409 10.596 ( -0.401 -0.231 -9.714) 9.725 10.596 ( 0.401 0.231 9.714) 9.725 11.271 ( -2.738 -1.581 -1.520) 3.508 11.271 ( 2.738 1.581 1.520) 3.508 11.411 ( 3.625 2.093 -4.222) 5.946 11.411 ( -3.625 -2.093 4.222) 5.946 11.564 ( 0.799 0.461 -2.942) 3.083 11.564 ( -0.799 -0.461 2.942) 3.083 12.272 ( -4.032 -2.328 -0.831) 4.730 12.272 ( 4.032 2.328 0.831) 4.730 12.714 ( -3.638 -2.100 0.370) 4.217 12.714 ( 3.638 2.100 -0.370) 4.217 12.836 ( -2.626 -1.516 -0.404) 3.059 12.836 ( 2.626 1.516 0.404) 3.059 13.509 ( -6.788 -3.919 0.201) 7.841 13.509 ( 6.788 3.919 -0.201) 7.841 13.958 ( -4.940 -2.852 -4.381) 7.193 13.958 ( 4.940 2.852 4.381) 7.193 14.264 ( 3.921 2.264 -3.982) 6.030 14.264 ( -3.921 -2.264 3.982) 6.030 14.645 ( 2.353 1.359 -14.822) 15.069 14.645 ( -2.353 -1.359 14.822) 15.069 15.078 ( -8.650 -4.994 0.722) 10.014 15.078 ( 8.650 4.994 -0.722) 10.014 15.180 ( -11.216 -6.476 -1.759) 13.071 15.180 ( 11.216 6.476 1.759) 13.071 16.818 ( -4.882 -2.819 -2.252) 6.071 16.818 ( 4.882 2.819 2.252) 6.071 16.985 ( -5.673 -3.276 0.796) 6.599 16.985 ( 5.673 3.276 -0.796) 6.599 17.486 ( 11.443 6.607 -17.153) 21.653 17.486 ( -11.443 -6.607 17.153) 21.653 18.761 ( -4.809 -2.777 0.130) 5.555 18.761 ( 4.809 2.777 -0.130) 5.555 18.980 ( -4.499 -2.597 -5.713) 7.722 18.980 ( 4.499 2.597 5.713) 7.722 20.765 ( -2.599 -1.500 -3.889) 4.912 20.765 ( 2.599 1.500 3.889) 4.912 21.414 ( -1.988 -1.148 -4.144) 4.738 21.414 ( 1.988 1.148 4.144) 4.738 24.142 ( -2.036 -1.175 -5.906) 6.357 24.142 ( 2.036 1.175 5.906) 6.357 24.590 ( 1.591 0.919 -9.757) 9.928 24.590 ( -1.591 -0.919 9.757) 9.928 ======================= Grid point 342 (58/69) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 30.639 -0.043 -23.741) 38.761 1.526 ( -15.357 26.513 23.741) 38.761 2.486 ( 11.438 27.614 -29.176) 41.768 2.486 ( 18.195 23.712 29.176) 41.768 3.403 ( 12.599 35.005 -41.491) 55.727 3.403 ( 24.016 28.414 41.491) 55.727 3.823 ( 13.410 -0.317 -22.772) 26.429 3.823 ( -6.980 11.455 22.772) 26.429 4.346 ( 3.350 16.732 -17.478) 24.427 4.346 ( 12.816 11.268 17.478) 24.427 5.151 ( -4.109 4.587 -8.872) 10.800 5.151 ( 6.027 -1.265 8.872) 10.800 5.473 ( 14.059 8.830 -10.581) 19.687 5.473 ( 0.618 16.591 10.581) 19.687 6.077 ( 0.231 -3.959 -4.135) 5.729 6.077 ( -3.544 -1.779 4.135) 5.729 6.244 ( -1.761 -3.933 -4.658) 6.345 6.244 ( -2.525 -3.492 4.658) 6.345 7.483 ( -2.826 -7.192 -11.067) 13.498 7.483 ( -4.816 -6.043 11.067) 13.498 7.540 ( -3.794 -5.220 -10.255) 12.117 7.540 ( -2.624 -5.896 10.255) 12.117 7.792 ( -0.570 -4.369 -16.583) 17.158 7.792 ( -3.499 -2.678 16.583) 17.158 7.986 ( -6.976 -3.783 -3.035) 8.496 7.986 ( 0.211 -7.933 3.035) 8.496 8.338 ( -4.885 -9.494 -1.168) 10.741 8.338 ( -5.780 -8.977 1.168) 10.741 8.708 ( 0.144 -10.435 -2.318) 10.691 8.708 ( -9.110 -5.093 2.318) 10.691 8.771 ( 5.784 2.829 -2.622) 6.953 8.771 ( -0.442 6.424 2.622) 6.953 8.913 ( -3.603 -2.180 -2.136) 4.722 8.913 ( -0.087 -4.211 2.136) 4.722 9.154 ( -5.034 -1.280 -8.822) 10.237 9.154 ( 1.408 -4.999 8.822) 10.237 9.956 ( -3.723 1.015 -5.312) 6.566 9.956 ( 2.740 -2.717 5.312) 6.566 10.144 ( -0.542 1.652 -6.313) 6.548 10.144 ( 1.701 0.356 6.313) 6.548 10.257 ( -2.784 -2.310 -4.388) 5.686 10.257 ( -0.609 -3.566 4.388) 5.686 10.395 ( -1.107 -5.702 -5.495) 7.996 10.395 ( -4.385 -3.810 5.495) 7.996 10.465 ( -1.820 1.369 -2.584) 3.445 10.465 ( 2.096 -0.891 2.584) 3.445 11.128 ( -0.497 -9.017 -4.783) 10.219 11.128 ( -7.560 -4.939 4.783) 10.219 11.428 ( -7.171 1.181 -9.116) 11.659 11.428 ( 4.608 -5.620 9.116) 11.659 11.722 ( -8.991 -9.315 -2.350) 13.158 11.722 ( -3.571 -12.444 2.350) 13.158 11.848 ( -3.700 -3.658 -8.283) 9.782 11.848 ( -1.318 -5.033 8.283) 9.782 12.241 ( 7.417 -9.150 -3.928) 12.416 12.241 ( -11.633 1.848 3.928) 12.416 12.891 ( -2.580 -9.369 -1.659) 9.859 12.891 ( -6.824 -6.919 1.659) 9.859 13.032 ( 4.155 5.565 -2.432) 7.358 13.032 ( 2.742 6.380 2.432) 7.358 13.237 ( 9.171 2.563 -0.424) 9.532 13.237 ( -2.366 9.224 0.424) 9.532 13.998 ( 2.142 -3.864 -7.584) 8.777 13.998 ( -4.418 -0.077 7.584) 8.777 14.415 ( -3.093 1.657 -5.799) 6.778 14.415 ( 2.981 -1.850 5.799) 6.778 14.884 ( 14.495 -7.143 -14.467) 21.689 14.884 ( -13.434 8.981 14.467) 21.689 15.250 ( -5.845 -9.105 -6.606) 12.677 15.250 ( -4.963 -9.615 6.606) 12.677 15.813 ( -0.124 0.498 -0.937) 1.069 15.813 ( 0.494 0.142 0.937) 1.069 16.098 ( 11.040 0.947 -1.985) 11.257 16.098 ( -4.700 10.035 1.985) 11.257 16.794 ( -2.902 1.191 -11.082) 11.517 16.794 ( 2.482 -1.918 11.082) 11.517 17.236 ( 6.927 11.004 -13.187) 18.520 17.236 ( 6.066 11.501 13.187) 18.520 18.274 ( -0.017 -1.604 -11.002) 11.118 18.274 ( -1.380 -0.817 11.002) 11.118 18.619 ( 2.789 8.096 -5.743) 10.310 18.619 ( 5.617 6.463 5.743) 10.310 19.396 ( 24.008 33.649 -25.214) 48.419 19.396 ( 17.137 37.616 25.214) 48.419 22.107 ( -3.576 -7.200 -2.399) 8.389 22.107 ( -4.447 -6.697 2.399) 8.389 24.263 ( 6.255 4.820 -9.529) 12.376 24.263 ( 1.047 7.828 9.529) 12.376 24.850 ( -5.123 -2.800 -2.460) 6.336 24.850 ( 0.137 -5.837 2.460) 6.336 ======================= Grid point 344 (59/69) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 3.782 32.160 13.757) 35.183 2.100 ( 31.342 8.741 -16.697) 36.572 2.845 ( 8.765 12.895 33.455) 36.910 2.883 ( 13.322 13.041 -27.983) 33.625 3.792 ( -2.478 9.892 21.496) 23.792 3.962 ( 15.915 8.094 -15.032) 23.340 4.112 ( 15.639 31.434 -13.957) 37.782 4.329 ( 33.656 21.529 7.088) 40.577 4.548 ( 8.495 16.172 -9.730) 20.697 4.651 ( 11.848 6.015 7.063) 15.048 5.155 ( 0.265 5.802 -3.002) 6.538 5.242 ( 5.882 -1.612 3.361) 6.963 5.601 ( -0.624 9.123 4.261) 10.088 5.705 ( 4.295 -1.923 -2.891) 5.523 5.960 ( -7.195 2.395 8.373) 11.297 6.065 ( 3.387 -0.591 -8.236) 8.924 6.222 ( -0.593 2.192 -5.913) 6.334 6.262 ( 5.979 4.481 6.620) 9.983 7.278 ( -10.199 -8.114 10.283) 16.601 7.317 ( -7.813 -10.007 -11.933) 17.424 7.391 ( -6.335 -6.086 -8.297) 12.084 7.428 ( -2.143 -6.553 7.510) 10.195 7.642 ( -10.572 -2.529 6.134) 12.482 7.765 ( -3.888 -0.703 -1.940) 4.402 7.826 ( -5.345 -4.362 -3.099) 7.563 7.972 ( 4.358 -5.486 0.150) 7.008 8.159 ( -5.569 -6.907 3.437) 9.515 8.213 ( -0.012 -5.764 -3.569) 6.780 8.517 ( -6.188 -6.855 4.382) 10.222 8.560 ( -3.961 -10.924 -4.385) 12.420 8.755 ( -1.430 1.355 3.806) 4.286 8.797 ( -1.638 -2.675 -1.508) 3.480 8.918 ( -0.914 4.253 -5.972) 7.388 9.010 ( 5.992 -0.198 4.649) 7.586 9.089 ( -1.953 -0.104 0.068) 1.957 9.096 ( -1.240 0.843 2.668) 3.060 9.826 ( -9.614 -0.802 -0.656) 9.670 9.964 ( 0.889 -5.161 -0.881) 5.310 10.111 ( -5.470 -1.870 -3.049) 6.535 10.153 ( -4.544 1.555 -7.920) 9.262 10.182 ( 2.045 0.872 7.840) 8.149 10.243 ( -2.535 -4.868 1.907) 5.811 10.276 ( -4.898 -3.005 5.196) 7.748 10.315 ( 2.531 -3.712 -3.072) 5.442 10.429 ( -2.677 2.858 2.461) 4.625 10.547 ( 6.062 -3.149 -2.944) 7.439 10.898 ( -10.683 -7.295 4.640) 13.743 10.983 ( -5.406 -13.480 -6.588) 15.948 11.281 ( -7.655 -1.790 0.639) 7.887 11.417 ( 2.329 -9.875 2.933) 10.561 11.511 ( -7.420 -4.931 -1.091) 8.976 11.575 ( -2.255 -8.547 -0.927) 8.887 11.849 ( -0.285 10.303 -3.978) 11.048 11.904 ( -1.535 6.777 0.956) 7.014 12.064 ( -5.664 1.320 7.262) 9.304 12.308 ( 9.452 -9.199 -4.240) 13.855 12.698 ( -7.684 -6.573 -0.826) 10.145 12.709 ( -6.790 -6.178 0.639) 9.203 13.085 ( -1.129 2.158 -1.676) 2.956 13.137 ( 1.863 -0.113 1.124) 2.178 13.263 ( -3.600 7.580 2.063) 8.641 13.441 ( 11.434 -0.788 -4.352) 12.260 13.942 ( -2.019 0.137 3.015) 3.631 14.026 ( 5.522 -3.446 -4.141) 7.715 14.329 ( -6.767 -3.509 0.243) 7.627 14.440 ( 3.855 -3.765 2.577) 5.973 14.654 ( -14.873 0.828 6.073) 16.087 14.899 ( 2.112 -15.259 -3.984) 15.911 15.101 ( -6.831 -0.513 -3.643) 7.758 15.172 ( -0.809 -1.042 3.503) 3.743 15.767 ( -5.528 3.325 -0.517) 6.472 15.886 ( -0.334 3.671 2.672) 4.553 16.103 ( 1.513 3.957 1.026) 4.359 16.326 ( 15.679 -1.792 -5.458) 16.698 16.793 ( -0.195 0.642 5.594) 5.634 16.803 ( 1.209 0.846 -6.417) 6.585 17.340 ( -4.465 13.778 -0.150) 14.484 17.584 ( 18.687 6.981 -0.318) 19.951 18.161 ( -7.175 1.155 6.979) 10.076 18.348 ( 8.947 -6.774 -3.239) 11.680 18.745 ( 1.984 12.624 -2.134) 12.955 18.812 ( 7.488 8.027 0.609) 10.994 19.943 ( 14.704 21.178 18.689) 31.843 20.000 ( 18.909 18.024 -18.391) 31.948 21.934 ( -7.593 -7.616 3.206) 11.222 21.952 ( -5.901 -8.080 -3.311) 10.539 24.302 ( -2.619 2.994 9.383) 10.191 24.393 ( 5.944 0.052 -11.455) 12.905 24.703 ( -8.396 -3.414 -2.616) 9.434 24.791 ( -0.358 -6.378 4.641) 7.896 ======================= Grid point 346 (60/69) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 16.063 31.669 6.614) 36.121 2.709 ( 27.141 15.411 -10.802) 33.028 3.098 ( 8.109 11.474 24.920) 28.608 3.213 ( 13.519 10.678 -18.399) 25.205 3.841 ( -2.030 10.006 17.636) 20.378 4.245 ( 11.754 3.058 -10.674) 16.169 4.373 ( -0.706 5.541 -12.700) 13.874 4.653 ( 2.715 -5.668 -1.730) 6.519 5.008 ( 14.818 7.213 -1.416) 16.541 5.088 ( 19.871 9.578 -2.418) 22.191 5.312 ( 12.283 12.792 2.841) 17.961 5.343 ( 7.159 2.554 6.630) 10.086 5.618 ( -0.332 1.850 -6.134) 6.415 5.635 ( -2.863 -4.867 4.616) 7.293 5.991 ( 0.395 16.327 6.499) 17.577 6.133 ( 1.344 0.970 -4.500) 4.795 6.258 ( 0.310 8.903 0.322) 8.914 6.511 ( 12.751 8.340 3.574) 15.650 7.028 ( -10.407 -6.213 8.141) 14.601 7.068 ( -9.918 -8.681 -8.516) 15.692 7.217 ( -7.291 -6.481 -7.662) 12.404 7.375 ( 1.576 -4.375 1.901) 5.024 7.450 ( -9.835 0.132 6.026) 11.535 7.559 ( -14.777 2.646 2.190) 15.171 7.768 ( -1.049 -5.607 -8.035) 9.853 7.961 ( -8.940 -3.967 4.756) 10.876 8.056 ( 8.040 -6.712 -0.770) 10.501 8.225 ( 4.051 -1.471 -3.776) 5.730 8.335 ( -4.724 -10.240 -1.966) 11.447 8.456 ( 3.823 -8.790 -0.565) 9.602 8.732 ( -5.037 -2.488 2.795) 6.274 8.778 ( 1.993 1.590 2.392) 3.496 8.923 ( -0.585 2.761 -3.934) 4.842 8.962 ( -2.064 -0.093 9.092) 9.323 9.127 ( 1.028 4.326 -1.935) 4.849 9.188 ( 4.544 3.047 0.926) 5.549 9.651 ( -9.324 -1.029 -1.937) 9.579 9.933 ( -10.934 4.107 -1.132) 11.734 9.937 ( 0.049 -8.872 0.908) 8.918 10.066 ( -6.980 0.071 -3.660) 7.882 10.156 ( -4.436 -2.444 -0.495) 5.089 10.175 ( -1.798 0.018 -4.941) 5.258 10.248 ( 0.200 3.363 6.911) 7.689 10.339 ( 1.254 -5.411 1.513) 5.757 10.436 ( 1.840 1.372 4.270) 4.847 10.567 ( 0.299 -4.545 -6.161) 7.662 10.676 ( -8.343 -5.009 3.731) 10.422 10.759 ( -6.999 -5.939 -3.936) 9.988 11.140 ( -1.113 -11.498 4.577) 12.425 11.341 ( 2.851 -11.314 1.547) 11.770 11.394 ( -2.943 -4.885 -7.632) 9.527 11.494 ( -0.940 -2.299 2.117) 3.263 11.789 ( -12.930 5.686 -0.368) 14.130 11.905 ( -8.219 12.660 1.334) 15.153 12.169 ( 6.646 2.554 6.416) 9.584 12.374 ( 8.737 -7.000 -7.050) 13.230 12.549 ( -2.078 -6.319 1.359) 6.789 12.585 ( -1.113 -4.478 -2.056) 5.052 13.036 ( -5.412 -0.452 -0.683) 5.474 13.093 ( -5.015 -1.677 -0.248) 5.294 13.273 ( -1.778 4.049 4.585) 6.370 13.549 ( 4.592 -4.111 -7.876) 10.001 13.935 ( 1.616 -1.462 -0.899) 2.357 14.106 ( 7.688 -7.369 0.818) 10.681 14.146 ( -7.505 -3.849 6.151) 10.440 14.420 ( -5.970 -2.757 -1.746) 6.804 14.530 ( 5.157 -4.440 1.400) 6.947 14.801 ( 1.148 -7.107 1.155) 7.292 14.982 ( -8.439 3.188 -3.940) 9.844 15.134 ( -5.359 2.291 4.518) 7.374 15.676 ( -8.096 0.898 -0.431) 8.157 15.785 ( -15.363 6.084 2.052) 16.650 16.280 ( 15.271 -1.287 3.573) 15.737 16.569 ( 16.143 -4.856 -11.176) 20.226 16.820 ( 3.198 3.358 5.535) 7.221 16.847 ( 2.663 -0.069 -7.303) 7.774 17.343 ( -8.592 9.936 0.615) 13.150 17.919 ( 6.357 8.116 -0.973) 10.355 18.081 ( 5.542 -6.148 10.703) 13.530 18.438 ( 9.841 -7.659 -3.021) 12.831 18.924 ( 1.413 17.859 -0.392) 17.919 19.011 ( 4.276 12.456 -1.919) 13.309 20.312 ( 10.750 12.945 11.615) 20.446 20.397 ( 13.184 10.660 -10.840) 20.123 21.723 ( -8.700 -7.435 3.510) 11.970 21.766 ( -6.828 -7.956 -3.825) 11.160 24.249 ( -4.638 -0.326 7.810) 9.089 24.439 ( -0.390 -3.937 -10.317) 11.049 24.541 ( -4.799 -2.724 -3.613) 6.596 24.717 ( -1.159 -6.225 6.067) 8.770 ======================= Grid point 348 (61/69) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 16.470 26.370 2.339) 31.179 3.240 ( 14.810 11.923 -11.039) 21.986 3.355 ( 12.555 14.211 24.287) 30.813 3.557 ( 14.075 13.312 -8.312) 21.081 3.930 ( 1.523 9.934 9.629) 13.919 4.278 ( -3.024 -6.551 -7.445) 10.368 4.433 ( -0.957 4.485 -10.679) 11.622 4.556 ( -6.020 -8.411 -5.909) 11.912 5.024 ( -2.530 -3.286 0.551) 4.184 5.276 ( 6.759 -5.048 3.700) 9.212 5.448 ( -1.581 -1.147 2.929) 3.521 5.534 ( 6.030 -5.316 -0.624) 8.063 5.701 ( 4.780 -1.234 -1.927) 5.299 5.772 ( 14.369 7.561 0.569) 16.247 6.075 ( -1.683 1.588 1.022) 2.529 6.239 ( 4.149 12.106 -0.493) 12.807 6.439 ( 5.306 16.265 6.323) 18.239 6.744 ( 5.215 6.594 4.291) 9.439 6.852 ( -7.087 -4.840 -2.186) 8.856 6.862 ( -5.827 0.897 1.249) 6.026 7.062 ( -4.727 -1.716 -5.970) 7.806 7.227 ( -13.253 -1.104 2.689) 13.568 7.406 ( -0.537 2.637 0.999) 2.871 7.469 ( -0.538 3.920 -2.966) 4.945 7.673 ( -2.981 -6.321 -3.869) 7.988 7.734 ( -9.714 -4.506 2.622) 11.025 8.148 ( 8.581 -7.304 -6.147) 12.836 8.199 ( 0.177 -8.571 -2.251) 8.863 8.269 ( 3.634 -3.485 -0.805) 5.099 8.522 ( 10.178 -3.845 -0.141) 10.881 8.548 ( -9.080 -7.270 10.950) 15.975 8.835 ( 2.147 0.652 -1.624) 2.770 8.971 ( 0.802 6.140 4.531) 7.673 9.035 ( 3.711 8.177 -1.900) 9.179 9.174 ( 0.032 5.400 2.006) 5.760 9.265 ( 1.161 2.924 -1.445) 3.463 9.499 ( -9.701 1.141 -3.003) 10.219 9.745 ( -8.767 -0.582 0.005) 8.786 9.919 ( -0.960 -1.422 -1.771) 2.466 9.967 ( -4.196 2.059 1.116) 4.805 10.034 ( -7.464 -0.045 3.129) 8.093 10.186 ( -0.049 0.911 -8.272) 8.322 10.216 ( -4.329 -3.995 6.037) 8.435 10.263 ( -3.237 -1.441 -1.385) 3.805 10.458 ( -0.267 -1.896 0.388) 1.954 10.529 ( -2.405 -1.518 3.849) 4.786 10.561 ( 0.402 0.434 -6.787) 6.812 10.656 ( -3.962 1.814 2.960) 5.268 11.058 ( 6.258 -14.670 2.147) 16.093 11.245 ( 1.537 -15.141 -1.243) 15.269 11.379 ( 3.223 0.901 -1.460) 3.651 11.484 ( 0.355 0.699 -0.614) 0.996 11.657 ( -8.063 3.263 0.669) 8.724 11.816 ( -13.903 9.138 2.874) 16.883 12.216 ( 0.534 -1.984 2.450) 3.198 12.403 ( -0.644 -7.596 -3.348) 8.326 12.531 ( 5.712 -2.458 -0.346) 6.228 12.616 ( 7.702 -2.118 -1.972) 8.228 12.916 ( -6.551 -2.085 -0.230) 6.878 12.979 ( -5.762 -1.713 -0.552) 6.037 13.295 ( 2.052 0.783 4.560) 5.062 13.543 ( 2.051 -7.789 -5.802) 9.927 13.941 ( -0.693 -5.292 -3.871) 6.593 13.976 ( -0.239 -4.995 3.347) 6.017 14.183 ( 4.960 -7.410 3.153) 9.458 14.302 ( -2.791 -1.742 0.906) 3.412 14.599 ( 5.957 -5.497 -1.903) 8.327 14.814 ( 1.778 3.200 3.811) 5.285 14.935 ( -1.881 7.806 -5.338) 9.642 15.037 ( -9.202 5.037 6.339) 12.257 15.516 ( -10.701 -1.539 -1.564) 10.924 15.549 ( -17.105 2.925 1.105) 17.388 16.520 ( 14.309 -1.731 7.140) 16.085 16.722 ( 10.217 -8.111 -9.191) 15.958 16.874 ( 1.120 0.442 -3.356) 3.565 17.006 ( 12.356 3.696 -7.413) 14.875 17.265 ( -9.243 7.176 1.632) 11.814 17.845 ( -10.710 -0.214 11.328) 15.591 18.298 ( 18.362 -6.929 0.756) 19.641 18.516 ( 9.336 -10.011 -2.244) 13.872 19.113 ( -2.282 21.861 0.014) 21.980 19.181 ( -1.449 17.233 -1.914) 17.399 20.568 ( 7.749 8.863 7.227) 13.814 20.658 ( 8.252 6.742 -6.188) 12.322 21.520 ( -7.199 -6.232 3.235) 10.056 21.581 ( -6.421 -7.140 -3.732) 10.303 24.167 ( -3.475 -1.313 6.114) 7.154 24.304 ( -7.198 -3.874 -4.748) 9.453 24.519 ( 2.591 -3.632 -8.159) 9.299 24.638 ( -1.163 -5.804 6.778) 8.999 ======================= Grid point 350 (62/69) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 8.556 17.759 -1.806) 19.795 3.370 ( -5.090 6.156 3.793) 8.843 3.779 ( 18.056 9.317 8.420) 21.994 3.924 ( 13.250 14.694 3.553) 20.102 4.042 ( -1.750 -0.169 -1.098) 2.073 4.159 ( -0.827 -0.343 -6.925) 6.983 4.293 ( -14.397 -5.574 -2.915) 15.712 4.341 ( -12.476 1.616 -5.873) 13.883 5.041 ( 4.182 3.586 -7.136) 9.015 5.195 ( -8.156 -4.401 10.137) 13.735 5.489 ( 12.633 -8.017 8.431) 17.174 5.613 ( 5.563 -14.313 -7.446) 17.066 5.674 ( 3.941 -0.666 -3.666) 5.424 5.812 ( -7.804 -1.243 -0.978) 7.963 6.215 ( 9.963 2.600 6.645) 12.255 6.322 ( -2.800 2.831 -3.002) 4.987 6.651 ( 3.187 8.845 5.753) 11.022 6.733 ( -3.397 -1.639 -5.405) 6.591 6.815 ( -0.904 5.751 2.103) 6.190 6.845 ( -8.293 13.751 3.337) 16.401 7.032 ( -1.674 2.185 -4.882) 5.605 7.051 ( -6.390 2.218 1.890) 7.023 7.420 ( 1.693 -0.631 0.886) 2.012 7.476 ( -2.293 -2.530 -3.042) 4.573 7.594 ( 0.441 -1.159 -3.336) 3.559 7.622 ( -2.269 0.181 2.820) 3.624 8.163 ( 5.170 -6.516 -10.269) 13.215 8.197 ( 4.733 -8.990 3.795) 10.845 8.291 ( 5.098 -6.057 -2.286) 8.240 8.357 ( -3.862 -7.031 9.854) 12.706 8.674 ( 7.800 2.661 0.512) 8.257 8.809 ( -4.128 -3.066 -0.930) 5.225 9.057 ( 4.165 4.320 5.451) 8.107 9.150 ( -2.663 5.193 -6.861) 9.007 9.245 ( -0.966 8.251 3.607) 9.057 9.266 ( -5.187 6.058 -2.453) 8.344 9.418 ( 0.582 6.079 0.038) 6.107 9.589 ( -10.561 -1.942 -0.279) 10.742 9.901 ( -0.446 2.155 -2.830) 3.585 9.939 ( -4.932 4.261 3.930) 7.611 9.980 ( 1.141 3.104 1.032) 3.464 10.075 ( -6.135 -2.534 0.091) 6.638 10.201 ( -0.118 0.810 -2.543) 2.672 10.215 ( -1.647 -0.212 -0.298) 1.688 10.438 ( 1.020 -1.358 -1.991) 2.617 10.471 ( -2.206 -1.864 3.015) 4.175 10.608 ( 1.907 2.380 -5.933) 6.671 10.643 ( -2.301 3.147 5.491) 6.734 11.059 ( 9.753 -12.598 0.825) 15.953 11.134 ( 1.802 -13.423 -0.432) 13.551 11.484 ( 5.487 4.233 -1.133) 7.022 11.513 ( 0.233 4.109 -1.664) 4.439 11.576 ( -3.846 0.504 2.045) 4.385 11.654 ( -12.010 3.293 1.427) 12.535 12.214 ( 2.612 -1.738 1.167) 3.348 12.287 ( -2.754 -7.123 -1.671) 7.818 12.620 ( 6.593 -1.480 -0.104) 6.758 12.692 ( 1.830 -4.220 0.361) 4.614 12.830 ( -0.632 0.668 -1.558) 1.810 12.883 ( -4.082 -1.196 -0.010) 4.254 13.361 ( 7.772 -4.118 2.426) 9.124 13.466 ( 0.623 -12.327 -1.426) 12.424 13.891 ( 2.189 -2.343 -0.214) 3.214 13.946 ( 0.445 -7.655 -2.751) 8.147 14.193 ( 5.062 -2.273 0.916) 5.624 14.269 ( -0.446 -5.041 1.948) 5.422 14.642 ( 2.109 4.950 -2.572) 5.963 14.775 ( -10.300 2.139 4.358) 11.387 15.065 ( 5.498 10.965 -2.366) 12.493 15.078 ( 6.193 9.171 2.646) 11.378 15.288 ( -16.394 3.011 -2.370) 16.836 15.306 ( -10.967 -5.556 1.327) 12.366 16.697 ( 10.123 -4.575 8.915) 14.244 16.766 ( 5.586 -11.099 -9.413) 15.588 16.929 ( 3.319 5.508 0.810) 6.481 17.064 ( -6.916 -1.236 -3.847) 8.010 17.361 ( 11.093 8.596 -8.770) 16.549 17.628 ( -12.218 -4.745 12.663) 18.225 18.479 ( 13.371 -10.691 0.460) 17.125 18.542 ( 7.034 -13.476 -1.269) 15.254 19.247 ( -7.470 22.008 -0.593) 23.249 19.274 ( -8.962 19.250 -0.162) 21.234 20.741 ( 4.193 5.822 4.890) 8.683 20.788 ( 0.932 3.063 -4.351) 5.402 21.395 ( -1.187 -3.266 2.975) 4.574 21.432 ( -3.667 -5.221 -3.265) 7.167 24.129 ( 0.085 -0.045 4.834) 4.834 24.176 ( -4.176 -2.377 -4.259) 6.421 24.534 ( 3.530 -3.546 -7.776) 9.247 24.573 ( -0.114 -5.358 7.203) 8.978 ======================= Grid point 368 (63/69) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 30.123 21.055 -11.370) 38.470 2.390 ( 3.173 36.614 11.370) 38.470 3.117 ( 10.654 12.379 -22.949) 28.167 3.117 ( 5.393 15.416 22.949) 28.167 4.033 ( 13.346 3.344 -17.678) 22.401 4.033 ( -3.777 13.230 17.678) 22.401 4.498 ( -6.567 6.273 -4.675) 10.214 4.498 ( 8.716 -2.551 4.675) 10.214 4.931 ( 10.089 17.612 -3.632) 20.619 4.931 ( 10.208 17.543 3.632) 20.619 5.286 ( 4.246 7.900 -5.357) 10.447 5.286 ( 4.718 7.627 5.357) 10.447 5.639 ( -1.381 -2.149 -4.413) 5.099 5.639 ( -1.171 -2.271 4.413) 5.099 6.107 ( 5.972 5.815 -6.655) 10.666 6.107 ( 2.050 8.079 6.655) 10.666 6.368 ( 5.289 10.203 -5.737) 12.845 6.368 ( 6.192 9.682 5.737) 12.845 7.104 ( -5.312 -11.138 -10.747) 16.363 7.104 ( -6.990 -10.169 10.747) 16.363 7.284 ( -7.240 -3.331 -7.104) 10.676 7.284 ( 0.735 -7.935 7.104) 10.676 7.649 ( 4.769 -9.517 -7.513) 13.029 7.649 ( -10.627 -0.629 7.513) 13.029 7.827 ( -3.859 0.838 -4.514) 5.997 7.827 ( 2.655 -2.923 4.514) 5.997 8.098 ( 3.937 -6.542 -7.472) 10.683 8.098 ( -7.634 0.139 7.472) 10.683 8.350 ( -7.286 -9.730 -5.817) 13.476 8.350 ( -4.783 -11.175 5.817) 13.476 8.759 ( -0.621 -2.397 -2.535) 3.543 8.759 ( -1.765 -1.736 2.535) 3.543 8.965 ( -0.780 2.271 -7.975) 8.329 8.965 ( 2.356 0.460 7.975) 8.329 9.154 ( 1.701 4.817 -5.002) 7.149 9.154 ( 3.321 3.882 5.002) 7.149 9.808 ( -7.299 -1.882 -3.257) 8.211 9.808 ( 2.020 -7.262 3.257) 8.211 10.152 ( -3.717 -0.362 -0.714) 3.802 10.152 ( 1.545 -3.400 0.714) 3.802 10.178 ( 4.312 -5.795 -1.715) 7.424 10.178 ( -7.174 0.837 1.715) 7.424 10.241 ( -3.079 2.790 -3.721) 5.577 10.241 ( 3.956 -1.271 3.721) 5.577 10.474 ( 4.229 -3.435 -6.407) 8.410 10.474 ( -5.089 1.945 6.407) 8.410 10.749 ( -2.735 -10.482 -5.297) 12.059 10.749 ( -7.711 -7.610 5.297) 12.059 11.175 ( 0.122 -13.644 -2.767) 13.922 11.175 ( -11.876 -6.717 2.767) 13.922 11.453 ( -5.178 -1.629 -6.228) 8.262 11.453 ( 1.178 -5.299 6.228) 8.262 12.041 ( -3.074 5.467 -4.921) 7.972 12.041 ( 6.271 0.071 4.921) 7.972 12.140 ( 9.536 -0.790 -7.252) 12.007 12.140 ( -5.452 7.864 7.252) 12.007 12.548 ( -3.419 -9.483 -1.000) 10.130 12.548 ( -6.503 -7.703 1.000) 10.130 13.105 ( -3.296 -1.361 -1.700) 3.951 13.105 ( 0.469 -3.535 1.700) 3.951 13.397 ( 7.716 -3.610 -4.083) 9.446 13.397 ( -6.984 4.877 4.083) 9.446 13.950 ( -2.071 -1.054 -1.063) 2.555 13.950 ( 0.122 -2.320 1.063) 2.555 14.291 ( 3.049 -9.006 -3.015) 9.975 14.291 ( -9.324 -1.863 3.015) 9.975 14.643 ( -10.434 -0.511 -1.175) 10.512 14.643 ( 4.775 -9.292 1.175) 10.512 15.133 ( -0.553 -0.404 -7.422) 7.453 15.133 ( -0.073 -0.681 7.422) 7.453 15.889 ( -1.090 3.605 -5.818) 6.930 15.889 ( 3.667 0.858 5.818) 6.930 16.228 ( 6.794 -3.117 -4.804) 8.886 16.228 ( -6.096 4.325 4.804) 8.886 16.821 ( 1.726 1.759 -6.005) 6.491 16.821 ( 0.660 2.375 6.005) 6.491 17.641 ( 6.943 5.669 -8.017) 12.026 17.641 ( 1.438 8.848 8.017) 12.026 18.208 ( 2.019 -3.744 -18.764) 19.240 18.208 ( -4.252 -0.123 18.764) 19.240 19.019 ( 8.561 14.197 -2.095) 16.710 19.019 ( 8.014 14.512 2.095) 16.710 20.310 ( 11.070 14.361 -12.888) 22.247 20.310 ( 6.902 16.768 12.888) 22.247 21.773 ( -4.504 -10.219 -3.250) 11.631 21.773 ( -6.598 -9.010 3.250) 11.631 24.345 ( 3.608 -4.395 -9.960) 11.468 24.345 ( -5.610 0.928 9.960) 11.468 24.640 ( -7.387 -3.840 -4.330) 9.384 24.640 ( 0.368 -8.317 4.330) 9.384 ======================= Grid point 370 (64/69) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 9.454 33.556 9.088) 36.028 3.051 ( 23.991 19.366 -12.153) 33.141 3.367 ( 6.064 16.713 13.071) 22.067 3.453 ( 14.611 14.487 -7.342) 21.846 4.071 ( -4.676 12.184 6.786) 14.709 4.246 ( 4.073 -3.585 -2.079) 5.811 4.436 ( 0.966 2.528 -11.511) 11.825 4.505 ( 0.936 -8.364 1.399) 8.532 5.030 ( -2.058 -0.882 0.269) 2.255 5.108 ( 5.479 -4.406 0.446) 7.046 5.413 ( 1.410 4.029 -4.993) 6.569 5.489 ( 3.918 -2.235 6.919) 8.260 5.631 ( 5.549 8.005 2.962) 10.180 5.653 ( 2.227 -0.113 -1.498) 2.687 6.179 ( -5.424 5.162 -7.299) 10.457 6.280 ( 7.044 9.586 3.160) 12.308 6.529 ( 3.062 16.465 7.363) 18.295 6.647 ( 10.438 4.617 0.437) 11.422 6.916 ( -6.514 -5.556 -6.107) 10.516 6.944 ( -2.357 -2.229 6.651) 7.400 7.134 ( -7.482 -0.557 -6.564) 9.969 7.280 ( 4.583 -5.713 1.389) 7.455 7.468 ( -8.680 0.889 1.979) 8.947 7.580 ( -1.596 -6.441 2.110) 6.963 7.724 ( -9.608 5.011 -4.273) 11.648 7.897 ( -11.279 -3.970 0.328) 11.961 7.958 ( 4.851 -1.892 -1.270) 5.359 8.141 ( -1.986 -6.916 -2.145) 7.508 8.171 ( 4.035 -3.223 -1.908) 5.506 8.256 ( 10.325 -10.771 3.021) 15.223 8.640 ( -8.255 -3.851 8.117) 12.200 8.746 ( 3.712 -4.917 -6.369) 8.862 9.020 ( 0.511 4.949 1.093) 5.094 9.046 ( 3.470 5.067 1.686) 6.369 9.237 ( 1.175 8.264 -3.411) 9.017 9.272 ( 4.567 7.176 3.498) 9.197 9.673 ( -8.200 2.814 -3.963) 9.532 9.806 ( 2.680 -3.814 2.551) 5.314 9.986 ( -11.469 -1.226 -1.175) 11.594 10.093 ( -6.341 0.960 1.013) 6.493 10.107 ( -1.116 -1.081 1.834) 2.404 10.193 ( 1.670 -1.284 -2.405) 3.197 10.232 ( -1.963 0.464 -1.755) 2.674 10.300 ( 0.020 1.022 1.355) 1.697 10.449 ( 0.355 0.217 3.707) 3.731 10.500 ( 2.558 -2.592 -3.674) 5.173 10.593 ( -4.200 -3.331 1.889) 5.684 10.646 ( 1.514 -6.947 -3.282) 7.831 10.938 ( -7.885 -7.650 4.313) 11.802 11.070 ( 2.794 -12.952 -1.193) 13.303 11.365 ( -3.105 -0.578 -3.920) 5.034 11.445 ( 3.121 -3.456 1.840) 5.007 11.865 ( -13.112 1.775 -0.002) 13.231 12.043 ( -3.014 -5.308 4.723) 7.718 12.215 ( -3.018 6.277 -0.335) 6.973 12.332 ( 2.759 2.735 -4.488) 5.936 12.423 ( 2.816 -5.319 1.860) 6.300 12.440 ( 6.136 -9.088 -1.401) 11.055 13.001 ( -6.091 -3.144 -1.124) 6.946 13.036 ( -3.361 -4.488 0.999) 5.695 13.316 ( -4.654 -0.412 3.995) 6.147 13.422 ( 2.520 -8.368 -4.155) 9.676 13.882 ( -1.245 -3.656 -4.532) 5.954 13.944 ( 1.330 -7.779 1.584) 8.049 14.108 ( -6.549 -1.712 4.227) 7.981 14.272 ( 2.965 -11.397 -1.357) 11.854 14.547 ( -2.808 8.388 -0.186) 8.847 14.725 ( 9.394 -0.881 2.203) 9.689 15.073 ( -5.193 4.416 -3.822) 7.815 15.147 ( -0.404 -0.615 3.196) 3.279 15.747 ( -15.603 5.686 3.579) 16.988 15.900 ( -14.527 3.536 0.478) 14.959 16.209 ( 12.830 -5.184 -1.752) 13.948 16.387 ( 15.326 -12.639 -3.792) 20.224 16.877 ( 1.498 4.500 -2.475) 5.350 16.908 ( 5.937 5.324 0.194) 7.977 17.546 ( -14.013 9.780 -0.012) 17.088 17.888 ( 12.466 -11.351 4.282) 17.394 18.081 ( -5.887 6.832 2.721) 9.421 18.289 ( 8.774 -7.342 -3.393) 11.933 19.293 ( 5.083 19.701 -1.873) 20.432 19.314 ( 6.561 17.820 1.313) 19.035 20.553 ( 6.030 11.930 8.197) 15.680 20.591 ( 8.953 9.536 -7.844) 15.252 21.572 ( -7.214 -8.197 2.208) 11.140 21.597 ( -5.084 -9.473 -2.368) 11.009 24.237 ( -6.245 -0.870 5.691) 8.494 24.335 ( 0.291 -6.376 -6.547) 9.143 24.482 ( -5.342 -3.518 -3.014) 7.071 24.572 ( 0.567 -8.545 3.843) 9.386 ======================= Grid point 372 (65/69) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 7.193 25.248 7.513) 27.307 3.470 ( 6.050 12.542 -7.590) 15.860 3.641 ( 9.344 13.304 4.585) 16.892 3.870 ( 14.556 18.585 4.675) 24.065 4.097 ( -5.860 -2.809 -4.809) 8.084 4.162 ( 0.760 2.771 -2.208) 3.624 4.405 ( -4.291 -2.318 4.325) 6.518 4.517 ( -3.259 2.889 -9.605) 10.546 5.010 ( 2.490 1.139 -4.547) 5.308 5.126 ( 6.151 -9.079 5.290) 12.176 5.364 ( -6.771 -7.423 8.901) 13.423 5.413 ( 0.857 -11.339 -5.465) 12.616 5.653 ( 0.507 4.181 -4.387) 6.081 5.908 ( 7.175 5.570 4.573) 10.169 6.081 ( -2.552 0.775 -1.641) 3.132 6.411 ( -1.727 3.443 -1.250) 4.050 6.684 ( 0.684 3.595 3.671) 5.184 6.749 ( 1.845 -1.438 4.392) 4.976 6.830 ( 1.663 2.488 -1.781) 3.482 6.977 ( 3.995 -0.177 6.614) 7.729 7.102 ( -2.858 9.676 -7.919) 12.826 7.200 ( -7.179 -1.657 -3.873) 8.323 7.425 ( -3.116 0.249 5.181) 6.051 7.508 ( -0.270 -8.804 -2.080) 9.050 7.613 ( -7.580 7.659 -0.855) 10.810 7.676 ( -5.415 -1.450 0.421) 5.622 8.020 ( 4.364 -1.908 -7.634) 8.998 8.082 ( 0.768 -3.565 -0.685) 3.710 8.184 ( 3.359 -2.808 -4.612) 6.359 8.403 ( -1.616 -4.810 14.327) 15.199 8.517 ( 7.172 0.580 2.457) 7.603 8.762 ( 3.269 -6.631 -5.925) 9.474 9.061 ( 0.513 4.545 6.546) 7.986 9.170 ( 6.338 4.800 -2.537) 8.345 9.299 ( -4.225 3.658 -5.947) 8.161 9.394 ( -0.390 8.501 3.346) 9.144 9.601 ( -6.710 9.495 -2.265) 11.845 9.753 ( -9.199 0.981 1.277) 9.339 9.903 ( 2.747 0.412 0.883) 2.915 9.983 ( -1.514 -1.601 -0.524) 2.264 10.126 ( -7.729 4.853 -0.152) 9.128 10.136 ( -1.214 4.184 6.196) 7.575 10.233 ( -2.667 2.122 -6.766) 7.576 10.268 ( -3.848 2.723 -0.427) 4.733 10.429 ( -0.661 -0.506 0.372) 0.912 10.519 ( -2.104 -0.081 0.683) 2.214 10.556 ( 3.725 -2.420 -4.540) 6.352 10.684 ( 5.479 -0.392 1.457) 5.683 10.772 ( 1.335 -12.523 3.954) 13.200 11.000 ( 1.473 -11.113 -0.599) 11.226 11.377 ( 5.035 0.489 -1.357) 5.237 11.497 ( 5.431 -0.396 -0.538) 5.472 11.683 ( -9.338 -1.033 1.314) 9.487 11.857 ( -11.038 -6.097 2.580) 12.871 12.171 ( -0.633 -4.414 0.978) 4.565 12.236 ( -2.502 -9.187 -3.245) 10.060 12.509 ( 6.248 2.208 1.058) 6.711 12.588 ( 8.082 0.843 -1.940) 8.355 12.873 ( -5.048 -2.067 -0.704) 5.500 12.934 ( -3.848 -3.111 0.647) 4.990 13.249 ( -0.246 -4.506 3.615) 5.782 13.341 ( -0.444 -10.742 -2.284) 10.991 13.839 ( 1.527 -6.058 -7.166) 9.507 13.857 ( -1.495 -5.457 1.333) 5.813 14.063 ( 3.939 -5.749 4.907) 8.523 14.187 ( 1.033 -10.971 0.337) 11.025 14.680 ( 3.396 13.598 0.396) 14.022 14.873 ( 3.391 4.215 0.894) 5.483 15.072 ( -0.044 4.785 -7.481) 8.880 15.151 ( 0.682 6.572 7.036) 9.652 15.495 ( -17.101 0.093 7.178) 18.547 15.631 ( -19.255 3.120 -6.057) 20.425 16.388 ( 15.697 -11.309 0.819) 19.364 16.478 ( 11.795 -15.360 -3.056) 19.606 16.963 ( 1.624 8.480 2.560) 9.006 17.091 ( 6.622 5.495 -7.669) 11.527 17.413 ( -8.695 6.829 -0.802) 11.085 17.763 ( -8.866 -8.650 8.945) 15.279 18.203 ( 10.281 -1.572 0.260) 10.403 18.340 ( 5.724 -7.942 -2.580) 10.124 19.529 ( -0.862 20.405 -4.819) 20.984 19.547 ( -0.766 18.996 4.336) 19.500 20.742 ( 4.363 9.170 6.109) 11.851 20.788 ( 4.813 6.925 -5.684) 10.170 21.394 ( -4.589 -6.925 0.911) 8.358 21.431 ( -4.115 -8.412 -1.128) 9.432 24.148 ( -3.027 -0.471 3.188) 4.421 24.231 ( -5.194 -3.599 -2.694) 6.869 24.425 ( 2.870 -5.738 -4.227) 7.683 24.499 ( 0.710 -8.365 3.704) 9.176 ======================= Grid point 374 (66/69) ======================= q-point: ( 0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.525 ( -9.248 10.622 -9.224) 16.836 3.525 ( -4.575 13.320 9.224) 16.836 3.892 ( -7.069 -7.408 -10.291) 14.518 3.892 ( 9.950 2.418 10.291) 14.517 4.193 ( -9.691 1.085 -10.350) 14.221 4.193 ( 3.906 8.935 10.350) 14.221 4.394 ( -10.116 5.550 -5.751) 12.892 4.394 ( 0.252 11.535 5.751) 12.892 5.112 ( 3.951 0.568 -8.155) 9.079 5.112 ( -2.468 -3.137 8.155) 9.079 5.273 ( 3.045 -16.295 -6.776) 17.908 5.273 ( 12.589 -10.784 6.776) 17.908 5.795 ( -12.253 0.459 0.128) 12.262 5.795 ( 5.729 10.841 -0.128) 12.262 6.280 ( -9.760 -7.488 -5.170) 13.344 6.280 ( 11.365 4.709 5.170) 13.344 6.716 ( -1.301 -0.003 -7.477) 7.590 6.716 ( 0.653 1.125 7.477) 7.590 6.957 ( 0.275 -9.752 -6.564) 11.758 6.957 ( 8.308 -5.114 6.564) 11.758 7.134 ( -9.728 10.518 -4.165) 14.920 7.134 ( -4.245 13.684 4.165) 14.920 7.387 ( -1.575 -2.474 -5.127) 5.906 7.387 ( 2.930 0.127 5.127) 5.906 7.645 ( -2.226 1.892 -2.039) 3.563 7.645 ( -0.526 2.874 2.039) 3.563 8.064 ( 2.078 -2.662 -5.237) 6.231 8.064 ( 1.266 -3.131 5.237) 6.231 8.257 ( 3.832 2.317 -12.283) 13.074 8.257 ( -3.922 -2.160 12.283) 13.074 8.690 ( -0.920 -7.312 -10.227) 12.606 8.690 ( 6.792 -2.859 10.227) 12.605 9.161 ( -8.233 -0.304 -7.972) 11.464 9.161 ( 4.380 6.978 7.972) 11.464 9.366 ( -8.192 -1.357 -1.944) 8.528 9.366 ( 5.271 6.416 1.944) 8.528 9.621 ( -7.249 5.365 -1.022) 9.076 9.621 ( -1.022 8.960 1.022) 9.076 9.964 ( -4.049 0.936 -4.716) 6.285 9.964 ( 1.214 3.974 4.716) 6.285 10.124 ( -7.188 5.975 -3.677) 10.045 10.124 ( -1.581 9.213 3.677) 10.045 10.215 ( -1.101 2.262 -5.352) 5.913 10.215 ( -1.408 2.084 5.352) 5.913 10.464 ( -3.742 0.741 -1.823) 4.228 10.464 ( 1.229 3.611 1.823) 4.228 10.621 ( 4.664 -2.328 -5.689) 7.716 10.621 ( -0.316 -5.203 5.689) 7.716 10.879 ( -1.844 -13.480 -0.382) 13.611 10.879 ( 12.596 -5.143 0.382) 13.611 11.519 ( -4.916 -4.661 -1.568) 6.953 11.519 ( 6.495 1.927 1.568) 6.953 11.627 ( -6.928 -5.321 -0.155) 8.737 11.627 ( 8.072 3.339 0.155) 8.737 12.151 ( 2.229 -6.735 -2.619) 7.562 12.151 ( 4.718 -5.298 2.619) 7.562 12.622 ( -3.123 -1.479 0.032) 3.456 12.622 ( 2.842 1.965 -0.032) 3.456 12.853 ( -0.493 -0.533 -0.281) 0.778 12.853 ( 0.708 0.160 0.281) 0.778 13.246 ( 1.511 -8.217 -2.367) 8.684 13.246 ( 6.361 -5.418 2.367) 8.684 13.820 ( 2.874 -4.661 -6.213) 8.281 13.820 ( 2.600 -4.820 6.213) 8.282 14.107 ( 3.104 -9.851 -4.610) 11.311 14.107 ( 6.979 -7.614 4.610) 11.311 14.848 ( -6.978 8.725 -11.416) 15.974 14.848 ( -4.067 10.406 11.416) 15.974 15.202 ( -3.434 -0.997 -4.005) 5.369 15.202 ( 2.581 2.476 4.005) 5.369 15.357 ( -15.497 3.562 -6.260) 17.089 15.357 ( 4.664 15.202 6.260) 17.089 16.484 ( 9.076 -16.628 -13.983) 23.545 16.484 ( 9.862 -16.174 13.983) 23.545 17.089 ( -8.329 3.973 -9.757) 13.430 17.089 ( 0.724 9.199 9.757) 13.430 17.516 ( -7.381 -3.857 3.717) 9.120 17.516 ( 7.031 4.464 -3.717) 9.120 18.317 ( 3.426 -8.350 -10.544) 13.880 18.317 ( 5.519 -7.142 10.544) 13.880 19.629 ( -9.299 16.649 -10.975) 22.002 19.629 ( -9.769 16.378 10.975) 22.002 20.851 ( -4.130 3.541 -5.263) 7.569 20.851 ( -1.002 5.347 5.263) 7.569 21.329 ( 1.612 -4.944 -1.298) 5.359 21.329 ( 3.475 -3.868 1.298) 5.359 24.142 ( -1.192 -0.154 -6.787) 6.892 24.142 ( 0.730 0.956 6.787) 6.892 24.443 ( 4.360 -6.311 -8.964) 11.798 24.443 ( 3.285 -6.931 8.964) 11.798 ======================= Grid point 396 (67/69) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.406 ( 15.838 17.084 -15.045) 27.732 3.406 ( 6.876 22.258 15.045) 27.732 3.739 ( 4.274 19.682 -8.034) 21.683 3.739 ( 14.908 13.542 8.034) 21.683 4.163 ( -1.635 -2.654 -4.814) 5.735 4.163 ( -1.481 -2.743 4.814) 5.735 4.474 ( 7.205 1.096 -10.069) 12.430 4.474 ( -2.653 6.788 10.069) 12.430 5.014 ( -3.751 -1.206 -1.886) 4.368 5.014 ( 0.831 -3.851 1.886) 4.368 5.377 ( -5.571 -8.063 -6.887) 11.978 5.377 ( -4.198 -8.856 6.887) 11.978 5.744 ( -2.298 11.625 -6.414) 13.475 5.744 ( 11.217 3.823 6.414) 13.475 6.300 ( -9.951 5.871 -6.215) 13.119 6.300 ( 10.060 -5.682 6.215) 13.119 6.704 ( 2.323 0.625 -2.116) 3.204 6.704 ( -0.620 2.324 2.116) 3.204 6.883 ( -6.339 -2.070 -6.670) 9.432 6.883 ( 1.377 -6.525 6.670) 9.432 7.205 ( -0.907 5.260 -2.930) 6.089 7.205 ( 5.009 1.844 2.930) 6.089 7.463 ( -1.121 -2.143 -2.485) 3.467 7.463 ( -1.295 -2.042 2.485) 3.467 7.741 ( -1.261 -7.023 -2.982) 7.734 7.741 ( -5.452 -4.603 2.982) 7.734 8.049 ( 0.337 -0.934 -7.762) 7.825 8.049 ( -0.977 -0.175 7.762) 7.825 8.189 ( -2.940 10.878 -12.010) 16.469 8.189 ( 10.891 2.893 12.010) 16.469 8.614 ( 3.883 -7.232 -9.340) 12.434 8.614 ( -8.205 -0.254 9.340) 12.434 9.110 ( 5.022 2.846 -4.409) 7.264 9.110 ( -0.046 5.772 4.409) 7.264 9.399 ( -0.664 6.077 -8.303) 10.311 9.399 ( 5.595 2.464 8.303) 10.311 9.778 ( -3.623 6.360 -2.990) 7.907 9.778 ( 7.320 0.042 2.990) 7.907 9.934 ( -5.859 -3.359 -0.854) 6.807 9.934 ( 0.021 -6.753 0.854) 6.807 10.215 ( 5.287 2.141 -6.559) 8.693 10.215 ( -0.790 5.650 6.559) 8.693 10.311 ( 0.035 4.955 -3.692) 6.179 10.311 ( 4.273 2.508 3.692) 6.179 10.429 ( -3.994 -1.680 -0.801) 4.406 10.429 ( 0.542 -4.299 0.801) 4.406 10.548 ( 0.170 -2.464 -2.585) 3.576 10.548 ( -2.219 -1.085 2.585) 3.576 10.852 ( -1.316 -7.804 -4.169) 8.945 10.852 ( -6.100 -5.042 4.169) 8.945 11.385 ( -3.351 2.894 -1.522) 4.682 11.385 ( 4.182 -1.455 1.522) 4.682 11.838 ( -8.883 -6.728 -0.562) 11.157 11.838 ( -1.385 -11.057 0.562) 11.157 12.189 ( -3.686 -11.440 -1.289) 12.088 12.189 ( -8.064 -8.912 1.289) 12.088 12.488 ( 7.504 7.727 -2.878) 11.149 12.488 ( 2.939 10.362 2.878) 11.149 12.931 ( -3.747 -4.107 -1.446) 5.744 12.931 ( -1.684 -5.298 1.446) 5.744 13.270 ( -0.489 -6.786 -2.237) 7.162 13.270 ( -5.632 -3.816 2.237) 7.162 13.815 ( -3.655 -3.381 -4.328) 6.597 13.815 ( -1.100 -4.855 4.328) 6.597 14.054 ( -3.437 -7.775 -4.004) 9.396 14.054 ( -5.015 -6.864 4.004) 9.396 14.789 ( 6.816 11.316 -6.687) 14.807 14.789 ( 6.392 11.561 6.687) 14.807 15.135 ( -2.119 2.791 -7.366) 8.157 15.135 ( 3.477 -0.440 7.366) 8.157 15.806 ( 1.710 -12.233 -8.871) 15.207 15.806 ( -11.449 -4.636 8.871) 15.207 16.171 ( -6.528 0.680 -14.451) 15.871 16.171 ( 3.852 -5.313 14.451) 15.871 17.024 ( 7.860 6.780 -4.344) 11.253 17.024 ( 1.941 10.197 4.344) 11.253 17.660 ( -9.758 -1.782 -6.237) 11.717 17.660 ( 3.335 -9.342 6.237) 11.717 18.188 ( 1.233 0.573 -21.298) 21.341 18.188 ( -0.121 1.354 21.298) 21.341 19.642 ( 8.665 15.500 -11.124) 20.954 19.642 ( 9.090 15.254 11.124) 20.954 20.766 ( 6.589 8.763 -6.896) 12.953 20.766 ( 4.295 10.088 6.896) 12.953 21.412 ( -5.203 -8.964 -0.842) 10.399 21.412 ( -5.162 -8.988 0.842) 10.399 24.218 ( -0.520 -3.977 -8.384) 9.295 24.218 ( -3.185 -2.439 8.384) 9.295 24.408 ( -4.133 -5.545 -7.863) 10.472 24.408 ( -2.735 -6.352 7.863) 10.472 ======================= Grid point 398 (68/69) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( 2.942 13.760 6.866) 15.657 3.716 ( 4.880 12.220 -0.828) 13.184 3.806 ( -3.204 3.330 -4.988) 6.799 3.930 ( -2.095 -7.676 -2.339) 8.293 4.212 ( 5.089 12.545 1.999) 13.685 4.261 ( 3.882 5.911 -0.770) 7.114 4.515 ( -1.194 10.321 7.819) 13.003 4.576 ( -1.497 4.701 -8.858) 10.139 4.985 ( 4.121 -4.065 6.050) 8.373 5.019 ( 5.647 -1.773 -6.375) 8.699 5.151 ( -7.564 -12.991 -5.772) 16.103 5.181 ( -5.347 -12.161 7.447) 15.229 5.862 ( 1.475 16.587 -2.108) 16.785 6.027 ( 5.609 8.497 4.115) 10.982 6.126 ( -5.371 4.348 -2.063) 7.211 6.377 ( -3.171 -5.611 -1.460) 6.608 6.604 ( 3.293 -14.799 1.312) 15.218 6.687 ( 1.296 -14.839 2.939) 15.182 6.767 ( 0.028 2.160 -5.961) 6.340 6.819 ( 0.757 -8.433 4.138) 9.424 7.283 ( 0.452 9.807 1.331) 9.907 7.330 ( 1.867 8.623 -3.252) 9.403 7.399 ( -4.554 -0.542 -1.778) 4.918 7.444 ( -3.393 -0.451 3.299) 4.754 7.659 ( -0.500 -0.981 -1.941) 2.232 7.672 ( -0.945 -1.451 1.852) 2.535 8.050 ( 0.114 2.038 -2.177) 2.984 8.058 ( -0.033 0.676 1.260) 1.430 8.264 ( 0.312 10.538 -11.134) 15.334 8.368 ( -2.052 1.264 12.217) 12.453 8.523 ( 4.450 -0.889 6.571) 7.986 8.610 ( 2.427 -8.682 -7.306) 11.604 9.190 ( 1.465 9.600 7.619) 12.343 9.280 ( 9.859 6.963 -4.772) 12.979 9.330 ( -9.735 2.276 -7.958) 12.778 9.474 ( 0.112 -1.389 4.543) 4.752 9.627 ( -5.392 -5.064 2.573) 7.832 9.714 ( -4.204 -10.616 -2.251) 11.638 10.003 ( 2.313 13.182 1.674) 13.487 10.072 ( 5.474 9.368 -2.462) 11.126 10.168 ( -6.054 3.296 5.861) 9.048 10.251 ( -4.556 1.727 -4.418) 6.577 10.334 ( 0.081 0.860 -1.590) 1.810 10.374 ( -5.885 10.268 -0.080) 11.835 10.422 ( 5.372 -9.170 0.859) 10.662 10.461 ( -1.233 3.961 -0.151) 4.151 10.518 ( 3.620 2.045 -1.598) 4.454 10.624 ( 8.663 -0.627 0.578) 8.705 10.671 ( -5.344 -3.392 1.525) 6.511 10.790 ( 0.281 -11.067 -0.050) 11.071 11.419 ( 4.435 3.716 -0.055) 5.786 11.485 ( 8.368 -0.421 -0.110) 8.379 11.603 ( -9.671 -6.816 0.300) 11.835 11.662 ( -6.182 -11.242 0.618) 12.844 12.025 ( 0.280 -8.505 -0.057) 8.510 12.041 ( -0.082 -10.302 -0.581) 10.319 12.636 ( 2.493 8.886 0.312) 9.234 12.664 ( 3.107 6.243 -0.830) 7.023 12.841 ( -2.204 -1.513 -0.538) 2.727 12.868 ( -1.581 -3.656 1.026) 4.113 13.175 ( -1.392 -2.735 1.451) 3.394 13.190 ( -1.436 -4.835 -1.211) 5.187 13.754 ( -0.020 -1.921 -2.329) 3.019 13.769 ( -0.536 -3.008 0.168) 3.060 13.927 ( 2.023 -8.324 1.989) 8.794 13.955 ( 1.569 -11.649 0.066) 11.754 15.004 ( 1.364 16.993 6.334) 18.186 15.023 ( 1.481 12.692 -6.778) 14.464 15.139 ( 2.283 2.785 -5.540) 6.607 15.230 ( 6.501 1.522 5.475) 8.635 15.499 ( -14.673 -1.755 9.059) 17.334 15.595 ( -12.094 -8.373 -7.893) 16.693 16.170 ( 8.105 -8.795 -15.850) 19.856 16.198 ( 7.030 -11.814 14.968) 20.323 17.166 ( 1.966 11.627 7.394) 13.919 17.216 ( 3.242 7.375 -8.591) 11.777 17.478 ( -4.746 -0.972 -5.341) 7.211 17.565 ( -3.746 -10.676 7.090) 13.352 18.204 ( 2.354 0.537 2.066) 3.178 18.230 ( 2.096 -3.158 -2.477) 4.528 19.854 ( -0.157 12.461 -5.947) 13.809 19.856 ( -0.154 12.105 5.887) 13.461 20.917 ( 1.966 9.070 5.616) 10.847 20.929 ( 2.098 7.835 -5.535) 9.820 21.252 ( -2.099 -7.968 -2.202) 8.529 21.263 ( -1.967 -9.039 2.156) 9.498 24.157 ( -1.765 1.593 0.884) 2.537 24.183 ( -2.370 -0.892 -0.812) 2.659 24.311 ( 1.744 -5.811 -1.349) 6.216 24.335 ( 1.139 -8.080 1.267) 8.258 ======================= Grid point 422 (69/69) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.832 ( -0.525 -1.049 -6.965) 7.063 3.832 ( -0.019 -0.038 -6.910) 6.910 3.832 ( 0.019 0.038 6.910) 6.910 3.832 ( 0.525 1.049 6.965) 7.063 4.323 ( -0.000 -0.000 -8.183) 8.183 4.323 ( -0.000 -0.000 8.183) 8.183 4.680 ( -0.000 -0.000 -17.619) 17.619 4.680 ( -0.000 -0.000 17.619) 17.619 4.979 ( -1.541 -3.082 -7.693) 8.430 4.979 ( 1.498 2.997 -7.670) 8.370 4.979 ( -1.498 -2.997 7.670) 8.370 4.979 ( 1.541 3.082 7.693) 8.430 6.235 ( -0.000 -0.000 -3.875) 3.875 6.235 ( 0.000 -0.000 3.875) 3.875 6.271 ( -7.347 -14.694 -2.088) 16.561 6.271 ( -7.347 -14.694 2.087) 16.560 6.271 ( 7.347 14.694 -2.087) 16.560 6.271 ( 7.347 14.694 2.088) 16.561 6.789 ( -0.000 -0.000 -7.239) 7.239 6.789 ( -0.000 -0.000 7.239) 7.239 7.413 ( -1.064 -2.129 -12.512) 12.736 7.413 ( 1.058 2.115 -12.510) 12.732 7.413 ( -1.058 -2.115 12.510) 12.732 7.413 ( 1.064 2.129 12.512) 12.736 7.640 ( -0.000 -0.000 -13.686) 13.686 7.640 ( -0.000 -0.000 13.687) 13.687 8.073 ( -0.000 -0.000 -5.712) 5.712 8.073 ( -0.000 -0.000 5.712) 5.712 8.451 ( -3.144 -6.288 -15.015) 16.580 8.451 ( 3.122 6.243 -15.002) 16.547 8.451 ( -3.122 -6.243 15.002) 16.547 8.451 ( 3.144 6.288 15.015) 16.580 9.394 ( -2.241 -4.481 -6.188) 7.962 9.394 ( 1.245 2.490 -5.353) 6.034 9.394 ( -1.245 -2.490 5.353) 6.034 9.394 ( 2.241 4.481 6.188) 7.962 9.519 ( 0.000 -0.000 -10.641) 10.641 9.519 ( -0.000 0.000 10.641) 10.641 10.238 ( 0.004 -0.000 -8.311) 8.311 10.238 ( -0.003 0.002 8.311) 8.311 10.239 ( -2.172 -4.337 -5.433) 7.284 10.239 ( 1.390 2.777 -4.671) 5.609 10.239 ( -1.386 -2.780 4.671) 5.610 10.239 ( 2.167 4.339 5.433) 7.283 10.554 ( -2.941 -5.882 -2.832) 7.161 10.554 ( -2.692 -5.384 2.031) 6.353 10.554 ( 2.692 5.384 -2.031) 6.353 10.554 ( 2.941 5.882 2.832) 7.161 10.653 ( -0.000 -0.000 -5.934) 5.934 10.653 ( -0.000 0.000 5.934) 5.934 11.498 ( -1.040 -2.080 -7.210) 7.576 11.498 ( -0.187 -0.374 -7.006) 7.018 11.498 ( 0.187 0.374 7.006) 7.018 11.498 ( 1.040 2.080 7.210) 7.576 11.927 ( -0.000 -0.000 -1.069) 1.069 11.927 ( -0.000 -0.000 1.070) 1.070 12.784 ( -1.786 -3.572 -3.917) 5.594 12.784 ( -1.336 -2.673 -3.383) 4.514 12.784 ( 1.336 2.673 3.383) 4.514 12.784 ( 1.786 3.572 3.917) 5.594 13.147 ( -0.000 -0.000 -0.947) 0.947 13.147 ( -0.000 -0.000 0.947) 0.947 13.784 ( -1.310 -2.620 -8.526) 9.015 13.784 ( -0.449 -0.898 -8.275) 8.336 13.784 ( 0.449 0.898 8.275) 8.336 13.784 ( 1.310 2.620 8.526) 9.015 15.172 ( 0.000 -0.000 -12.098) 12.098 15.172 ( -0.000 -0.000 12.098) 12.098 15.343 ( -6.371 -12.742 -11.041) 18.024 15.343 ( 0.085 0.171 -3.027) 3.033 15.343 ( -0.085 -0.171 3.027) 3.033 15.343 ( 6.371 12.742 11.041) 18.024 16.087 ( -0.000 -0.000 -19.044) 19.044 16.087 ( -0.000 -0.000 19.044) 19.044 17.374 ( -3.824 -7.649 -13.642) 16.101 17.374 ( 2.404 4.807 -12.710) 13.799 17.374 ( -2.404 -4.807 12.710) 13.799 17.374 ( 3.824 7.649 13.642) 16.101 18.208 ( -0.000 -0.000 -23.752) 23.752 18.208 ( -0.000 -0.000 23.752) 23.752 19.978 ( -0.000 -0.000 -15.163) 15.163 19.978 ( -0.000 -0.000 15.163) 15.163 21.089 ( -3.190 -6.380 -8.537) 11.124 21.089 ( -0.926 -1.852 -6.855) 7.161 21.089 ( 0.926 1.852 6.855) 7.161 21.089 ( 3.190 6.380 8.537) 11.124 24.213 ( -1.864 -3.728 -8.358) 9.339 24.213 ( 1.832 3.664 -8.338) 9.290 24.213 ( -1.832 -3.664 8.338) 9.290 24.213 ( 1.864 3.728 8.358) 9.339 =================== 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 3/51840 10.0 229.854 229.854 433.908 0.000 -0.000 0.000 3/51840 20.0 149.108 149.108 279.422 -0.000 0.000 0.000 3/51840 30.0 114.715 114.715 165.690 -0.000 0.000 0.000 3/51840 40.0 78.684 78.684 96.922 -0.000 0.000 0.000 3/51840 50.0 52.950 52.950 60.756 -0.000 0.000 0.000 3/51840 60.0 36.667 36.667 40.748 -0.000 0.000 0.000 3/51840 70.0 26.523 26.523 29.027 -0.000 0.000 0.000 3/51840 80.0 20.051 20.051 21.771 -0.000 0.000 0.000 3/51840 90.0 15.765 15.765 17.041 -0.000 0.000 0.000 3/51840 100.0 12.813 12.813 13.812 -0.000 0.000 0.000 3/51840 110.0 10.703 10.703 11.516 -0.000 -0.000 0.000 3/51840 120.0 9.146 9.146 9.825 -0.000 -0.000 0.000 3/51840 130.0 7.962 7.962 8.542 -0.000 -0.000 0.000 3/51840 140.0 7.039 7.039 7.543 -0.000 -0.000 0.000 3/51840 150.0 6.305 6.305 6.748 -0.000 -0.000 0.000 3/51840 160.0 5.708 5.708 6.102 -0.000 -0.000 0.000 3/51840 170.0 5.216 5.216 5.569 -0.000 -0.000 0.000 3/51840 180.0 4.803 4.803 5.122 -0.000 -0.000 0.000 3/51840 190.0 4.453 4.453 4.743 -0.000 -0.000 0.000 3/51840 200.0 4.152 4.152 4.418 -0.000 -0.000 0.000 3/51840 210.0 3.891 3.891 4.136 -0.000 -0.000 0.000 3/51840 220.0 3.663 3.663 3.889 -0.000 -0.000 0.000 3/51840 230.0 3.461 3.461 3.671 -0.000 -0.000 0.000 3/51840 240.0 3.281 3.281 3.477 -0.000 -0.000 0.000 3/51840 250.0 3.121 3.121 3.304 -0.000 -0.000 0.000 3/51840 260.0 2.976 2.976 3.148 -0.000 -0.000 0.000 3/51840 270.0 2.844 2.844 3.007 -0.000 -0.000 0.000 3/51840 280.0 2.725 2.725 2.878 -0.000 -0.000 0.000 3/51840 290.0 2.616 2.616 2.761 -0.000 -0.000 0.000 3/51840 300.0 2.515 2.515 2.653 -0.000 -0.000 0.000 3/51840 310.0 2.423 2.423 2.554 -0.000 -0.000 0.000 3/51840 320.0 2.337 2.337 2.462 -0.000 -0.000 0.000 3/51840 330.0 2.258 2.258 2.377 -0.000 -0.000 0.000 3/51840 340.0 2.184 2.184 2.298 -0.000 -0.000 0.000 3/51840 350.0 2.115 2.115 2.224 -0.000 -0.000 0.000 3/51840 360.0 2.050 2.050 2.155 -0.000 -0.000 0.000 3/51840 370.0 1.990 1.990 2.091 -0.000 -0.000 0.000 3/51840 380.0 1.933 1.933 2.030 -0.000 -0.000 0.000 3/51840 390.0 1.879 1.879 1.973 -0.000 -0.000 0.000 3/51840 400.0 1.828 1.828 1.919 -0.000 -0.000 0.000 3/51840 410.0 1.781 1.781 1.868 -0.000 -0.000 0.000 3/51840 420.0 1.735 1.735 1.820 -0.000 -0.000 0.000 3/51840 430.0 1.692 1.692 1.774 -0.000 -0.000 0.000 3/51840 440.0 1.651 1.651 1.731 -0.000 -0.000 0.000 3/51840 450.0 1.613 1.613 1.690 -0.000 -0.000 0.000 3/51840 460.0 1.576 1.576 1.650 -0.000 -0.000 0.000 3/51840 470.0 1.540 1.540 1.613 -0.000 -0.000 0.000 3/51840 480.0 1.507 1.507 1.577 -0.000 -0.000 0.000 3/51840 490.0 1.474 1.474 1.543 -0.000 -0.000 0.000 3/51840 500.0 1.443 1.443 1.510 -0.000 -0.000 0.000 3/51840 510.0 1.414 1.414 1.479 -0.000 -0.000 0.000 3/51840 520.0 1.386 1.386 1.449 -0.000 -0.000 0.000 3/51840 530.0 1.358 1.358 1.421 -0.000 -0.000 0.000 3/51840 540.0 1.332 1.332 1.393 -0.000 -0.000 0.000 3/51840 550.0 1.307 1.307 1.367 -0.000 -0.000 0.000 3/51840 560.0 1.283 1.283 1.341 -0.000 -0.000 0.000 3/51840 570.0 1.260 1.260 1.317 -0.000 -0.000 0.000 3/51840 580.0 1.237 1.237 1.293 -0.000 -0.000 0.000 3/51840 590.0 1.216 1.216 1.270 -0.000 -0.000 0.000 3/51840 600.0 1.195 1.195 1.248 -0.000 -0.000 0.000 3/51840 610.0 1.175 1.175 1.227 -0.000 -0.000 0.000 3/51840 620.0 1.155 1.155 1.206 -0.000 -0.000 0.000 3/51840 630.0 1.136 1.136 1.187 -0.000 -0.000 0.000 3/51840 640.0 1.118 1.118 1.167 -0.000 -0.000 0.000 3/51840 650.0 1.101 1.101 1.149 -0.000 -0.000 0.000 3/51840 660.0 1.083 1.083 1.131 -0.000 -0.000 0.000 3/51840 670.0 1.067 1.067 1.114 -0.000 -0.000 0.000 3/51840 680.0 1.051 1.051 1.097 -0.000 -0.000 0.000 3/51840 690.0 1.035 1.035 1.080 -0.000 -0.000 0.000 3/51840 700.0 1.020 1.020 1.065 -0.000 -0.000 0.000 3/51840 710.0 1.006 1.006 1.049 -0.000 -0.000 0.000 3/51840 720.0 0.991 0.991 1.034 -0.000 -0.000 0.000 3/51840 730.0 0.978 0.978 1.020 -0.000 -0.000 0.000 3/51840 740.0 0.964 0.964 1.006 -0.000 -0.000 0.000 3/51840 750.0 0.951 0.951 0.992 -0.000 -0.000 0.000 3/51840 760.0 0.938 0.938 0.979 -0.000 -0.000 0.000 3/51840 770.0 0.926 0.926 0.966 -0.000 -0.000 0.000 3/51840 780.0 0.914 0.914 0.953 -0.000 -0.000 0.000 3/51840 790.0 0.902 0.902 0.941 -0.000 -0.000 0.000 3/51840 800.0 0.891 0.891 0.929 -0.000 -0.000 0.000 3/51840 810.0 0.879 0.879 0.917 -0.000 -0.000 0.000 3/51840 820.0 0.869 0.869 0.906 -0.000 -0.000 0.000 3/51840 830.0 0.858 0.858 0.894 -0.000 -0.000 0.000 3/51840 840.0 0.848 0.848 0.884 -0.000 -0.000 0.000 3/51840 850.0 0.838 0.838 0.873 -0.000 -0.000 0.000 3/51840 860.0 0.828 0.828 0.863 -0.000 -0.000 0.000 3/51840 870.0 0.818 0.818 0.853 -0.000 -0.000 0.000 3/51840 880.0 0.809 0.809 0.843 -0.000 -0.000 0.000 3/51840 890.0 0.799 0.799 0.833 -0.000 -0.000 0.000 3/51840 900.0 0.790 0.790 0.824 -0.000 -0.000 0.000 3/51840 910.0 0.782 0.782 0.815 -0.000 -0.000 0.000 3/51840 920.0 0.773 0.773 0.806 -0.000 -0.000 0.000 3/51840 930.0 0.765 0.765 0.797 -0.000 -0.000 0.000 3/51840 940.0 0.756 0.756 0.788 -0.000 -0.000 0.000 3/51840 950.0 0.748 0.748 0.780 -0.000 -0.000 0.000 3/51840 960.0 0.741 0.741 0.772 -0.000 -0.000 0.000 3/51840 970.0 0.733 0.733 0.763 -0.000 -0.000 0.000 3/51840 980.0 0.725 0.725 0.756 -0.000 -0.000 0.000 3/51840 990.0 0.718 0.718 0.748 -0.000 -0.000 0.000 3/51840 1000.0 0.711 0.711 0.740 -0.000 -0.000 0.000 3/51840 Thermal conductivity related properties were written into "kappa-m12124.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:46:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|