----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:41:34]------------------------- 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: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.470631890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.655670000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.986557480000000 Atomic positions (fractional): *1 Na 0.91398080765408 0.75000000000000 0.17619634936238 22.990 2 Na 0.41398080765408 0.75000000000000 0.32380365063762 22.990 3 Na 0.08601919234592 0.25000000000000 0.82380365063762 22.990 4 Na 0.58601919234592 0.25000000000000 0.67619634936238 22.990 *5 Al 0.83587190235608 0.75000000000000 0.81909404605066 26.982 6 Al 0.16412809764392 0.25000000000000 0.18090595394934 26.982 7 Al 0.33587190235608 0.75000000000000 0.68090595394934 26.982 8 Al 0.66412809764392 0.25000000000000 0.31909404605066 26.982 *9 Cd 0.37960318599935 0.25000000000000 0.00024906685428 112.411 10 Cd 0.87960318599935 0.25000000000000 0.49975093314572 112.411 11 Cd 0.62039681400065 0.75000000000000 0.99975093314572 112.411 12 Cd 0.12039681400065 0.75000000000000 0.50024906685428 112.411 *13 F 0.64474019896518 0.25000000000000 0.13760027619255 18.998 *14 F 0.45773579311982 0.75000000000000 0.09790709278750 18.998 15 F 0.14474019896518 0.25000000000000 0.36239972380745 18.998 *16 F 0.02506765566773 0.25000000000000 0.14721119273295 18.998 *17 F 0.19849292125507 0.25000000000000 0.00451169738508 18.998 *18 F 0.80870329404343 0.25000000000000 0.28666063915877 18.998 19 F 0.35525980103482 0.75000000000000 0.86239972380745 18.998 20 F 0.54226420688018 0.25000000000000 0.90209290721251 18.998 21 F 0.85525980103482 0.75000000000000 0.63760027619255 18.998 *22 F 0.83392573200497 0.25000000000000 0.81209295005175 18.998 23 F 0.52506765566772 0.25000000000000 0.35278880726705 18.998 24 F 0.33392573200497 0.25000000000000 0.68790704994825 18.998 25 F 0.16607426799503 0.75000000000000 0.18790704994825 18.998 26 F 0.69129670595657 0.75000000000000 0.78666063915877 18.998 27 F 0.47493234433227 0.75000000000000 0.64721119273295 18.998 28 F 0.04226420688018 0.25000000000000 0.59790709278749 18.998 29 F 0.95773579311982 0.75000000000000 0.40209290721251 18.998 30 F 0.80150707874493 0.75000000000000 0.99548830261492 18.998 31 F 0.19129670595657 0.75000000000000 0.71333936084123 18.998 32 F 0.69849292125507 0.25000000000000 0.49548830261492 18.998 33 F 0.66607426799503 0.75000000000000 0.31209295005175 18.998 34 F 0.30150707874493 0.75000000000000 0.50451169738508 18.998 35 F 0.97493234433228 0.75000000000000 0.85278880726705 18.998 36 F 0.30870329404343 0.25000000000000 0.21333936084123 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.470631890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.655670000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.986557480000000 Atomic positions (fractional): *1 Na 0.91398080765408 0.75000000000000 0.17619634936238 22.990 > 1 2 Na 0.41398080765408 0.75000000000000 0.32380365063762 22.990 > 2 3 Na 0.08601919234592 0.25000000000000 0.82380365063762 22.990 > 3 4 Na 0.58601919234592 0.25000000000000 0.67619634936238 22.990 > 4 *5 Al 0.83587190235608 0.75000000000000 0.81909404605066 26.982 > 5 6 Al 0.16412809764392 0.25000000000000 0.18090595394934 26.982 > 6 7 Al 0.33587190235608 0.75000000000000 0.68090595394934 26.982 > 7 8 Al 0.66412809764392 0.25000000000000 0.31909404605066 26.982 > 8 *9 Cd 0.37960318599935 0.25000000000000 0.00024906685428 112.411 > 9 10 Cd 0.87960318599935 0.25000000000000 0.49975093314572 112.411 > 10 11 Cd 0.62039681400065 0.75000000000000 0.99975093314572 112.411 > 11 12 Cd 0.12039681400065 0.75000000000000 0.50024906685428 112.411 > 12 *13 F 0.64474019896518 0.25000000000000 0.13760027619255 18.998 > 13 *14 F 0.45773579311982 0.75000000000000 0.09790709278750 18.998 > 14 15 F 0.14474019896518 0.25000000000000 0.36239972380745 18.998 > 15 *16 F 0.02506765566773 0.25000000000000 0.14721119273295 18.998 > 16 *17 F 0.19849292125507 0.25000000000000 0.00451169738508 18.998 > 17 *18 F 0.80870329404343 0.25000000000000 0.28666063915877 18.998 > 18 19 F 0.35525980103482 0.75000000000000 0.86239972380745 18.998 > 19 20 F 0.54226420688018 0.25000000000000 0.90209290721251 18.998 > 20 21 F 0.85525980103482 0.75000000000000 0.63760027619255 18.998 > 21 *22 F 0.83392573200497 0.25000000000000 0.81209295005175 18.998 > 22 23 F 0.52506765566772 0.25000000000000 0.35278880726705 18.998 > 23 24 F 0.33392573200497 0.25000000000000 0.68790704994825 18.998 > 24 25 F 0.16607426799503 0.75000000000000 0.18790704994825 18.998 > 25 26 F 0.69129670595657 0.75000000000000 0.78666063915877 18.998 > 26 27 F 0.47493234433227 0.75000000000000 0.64721119273295 18.998 > 27 28 F 0.04226420688018 0.25000000000000 0.59790709278749 18.998 > 28 29 F 0.95773579311982 0.75000000000000 0.40209290721251 18.998 > 29 30 F 0.80150707874493 0.75000000000000 0.99548830261492 18.998 > 30 31 F 0.19129670595657 0.75000000000000 0.71333936084123 18.998 > 31 32 F 0.69849292125507 0.25000000000000 0.49548830261492 18.998 > 32 33 F 0.66607426799503 0.75000000000000 0.31209295005175 18.998 > 33 34 F 0.30150707874493 0.75000000000000 0.50451169738508 18.998 > 34 35 F 0.97493234433228 0.75000000000000 0.85278880726705 18.998 > 35 36 F 0.30870329404343 0.25000000000000 0.21333936084123 18.998 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.470631890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.967010000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.986557480000000 Atomic positions (fractional): *1 Na 0.91398080765408 0.25000000000000 0.17619634936238 22.990 > 1 2 Na 0.91398080765408 0.58333333333333 0.17619634936238 22.990 > 1 3 Na 0.91398080765408 0.91666666666667 0.17619634936238 22.990 > 1 4 Na 0.41398080765408 0.25000000000000 0.32380365063762 22.990 > 2 5 Na 0.41398080765408 0.58333333333333 0.32380365063762 22.990 > 2 6 Na 0.41398080765408 0.91666666666667 0.32380365063762 22.990 > 2 7 Na 0.08601919234592 0.08333333333333 0.82380365063762 22.990 > 3 8 Na 0.08601919234592 0.41666666666667 0.82380365063762 22.990 > 3 9 Na 0.08601919234592 0.75000000000000 0.82380365063762 22.990 > 3 10 Na 0.58601919234592 0.08333333333333 0.67619634936238 22.990 > 4 11 Na 0.58601919234592 0.41666666666667 0.67619634936238 22.990 > 4 12 Na 0.58601919234592 0.75000000000000 0.67619634936238 22.990 > 4 *13 Al 0.83587190235608 0.25000000000000 0.81909404605066 26.982 > 5 14 Al 0.83587190235608 0.58333333333333 0.81909404605066 26.982 > 5 15 Al 0.83587190235608 0.91666666666667 0.81909404605066 26.982 > 5 16 Al 0.16412809764392 0.08333333333333 0.18090595394934 26.982 > 6 17 Al 0.16412809764392 0.41666666666667 0.18090595394934 26.982 > 6 18 Al 0.16412809764392 0.75000000000000 0.18090595394934 26.982 > 6 19 Al 0.33587190235608 0.25000000000000 0.68090595394934 26.982 > 7 20 Al 0.33587190235608 0.58333333333333 0.68090595394934 26.982 > 7 21 Al 0.33587190235608 0.91666666666667 0.68090595394934 26.982 > 7 22 Al 0.66412809764392 0.08333333333333 0.31909404605066 26.982 > 8 23 Al 0.66412809764392 0.41666666666667 0.31909404605066 26.982 > 8 24 Al 0.66412809764392 0.75000000000000 0.31909404605066 26.982 > 8 *25 Cd 0.37960318599935 0.08333333333333 0.00024906685428 112.411 > 9 26 Cd 0.37960318599935 0.41666666666667 0.00024906685428 112.411 > 9 27 Cd 0.37960318599935 0.75000000000000 0.00024906685428 112.411 > 9 28 Cd 0.87960318599935 0.08333333333333 0.49975093314572 112.411 > 10 29 Cd 0.87960318599935 0.41666666666667 0.49975093314572 112.411 > 10 30 Cd 0.87960318599935 0.75000000000000 0.49975093314572 112.411 > 10 31 Cd 0.62039681400065 0.25000000000000 0.99975093314572 112.411 > 11 32 Cd 0.62039681400065 0.58333333333333 0.99975093314572 112.411 > 11 33 Cd 0.62039681400065 0.91666666666667 0.99975093314572 112.411 > 11 34 Cd 0.12039681400065 0.25000000000000 0.50024906685428 112.411 > 12 35 Cd 0.12039681400065 0.58333333333333 0.50024906685428 112.411 > 12 36 Cd 0.12039681400065 0.91666666666667 0.50024906685428 112.411 > 12 *37 F 0.64474019896518 0.08333333333333 0.13760027619255 18.998 > 13 38 F 0.64474019896518 0.41666666666667 0.13760027619255 18.998 > 13 39 F 0.64474019896518 0.75000000000000 0.13760027619255 18.998 > 13 *40 F 0.45773579311982 0.25000000000000 0.09790709278750 18.998 > 14 41 F 0.45773579311982 0.58333333333333 0.09790709278750 18.998 > 14 42 F 0.45773579311982 0.91666666666667 0.09790709278750 18.998 > 14 43 F 0.14474019896518 0.08333333333333 0.36239972380745 18.998 > 15 44 F 0.14474019896518 0.41666666666667 0.36239972380745 18.998 > 15 45 F 0.14474019896518 0.75000000000000 0.36239972380745 18.998 > 15 *46 F 0.02506765566773 0.08333333333333 0.14721119273295 18.998 > 16 47 F 0.02506765566773 0.41666666666667 0.14721119273295 18.998 > 16 48 F 0.02506765566773 0.75000000000000 0.14721119273295 18.998 > 16 *49 F 0.19849292125507 0.08333333333333 0.00451169738508 18.998 > 17 50 F 0.19849292125507 0.41666666666667 0.00451169738508 18.998 > 17 51 F 0.19849292125507 0.75000000000000 0.00451169738508 18.998 > 17 *52 F 0.80870329404343 0.08333333333333 0.28666063915877 18.998 > 18 53 F 0.80870329404343 0.41666666666667 0.28666063915877 18.998 > 18 54 F 0.80870329404343 0.75000000000000 0.28666063915877 18.998 > 18 55 F 0.35525980103482 0.25000000000000 0.86239972380745 18.998 > 19 56 F 0.35525980103482 0.58333333333333 0.86239972380745 18.998 > 19 57 F 0.35525980103482 0.91666666666667 0.86239972380745 18.998 > 19 58 F 0.54226420688018 0.08333333333333 0.90209290721251 18.998 > 20 59 F 0.54226420688018 0.41666666666667 0.90209290721251 18.998 > 20 60 F 0.54226420688018 0.75000000000000 0.90209290721251 18.998 > 20 61 F 0.85525980103482 0.25000000000000 0.63760027619255 18.998 > 21 62 F 0.85525980103482 0.58333333333333 0.63760027619255 18.998 > 21 63 F 0.85525980103482 0.91666666666667 0.63760027619255 18.998 > 21 *64 F 0.83392573200497 0.08333333333333 0.81209295005175 18.998 > 22 65 F 0.83392573200497 0.41666666666667 0.81209295005175 18.998 > 22 66 F 0.83392573200497 0.75000000000000 0.81209295005175 18.998 > 22 67 F 0.52506765566772 0.08333333333333 0.35278880726705 18.998 > 23 68 F 0.52506765566772 0.41666666666667 0.35278880726705 18.998 > 23 69 F 0.52506765566772 0.75000000000000 0.35278880726705 18.998 > 23 70 F 0.33392573200497 0.08333333333333 0.68790704994825 18.998 > 24 71 F 0.33392573200497 0.41666666666667 0.68790704994825 18.998 > 24 72 F 0.33392573200497 0.75000000000000 0.68790704994825 18.998 > 24 73 F 0.16607426799503 0.25000000000000 0.18790704994825 18.998 > 25 74 F 0.16607426799503 0.58333333333333 0.18790704994825 18.998 > 25 75 F 0.16607426799503 0.91666666666667 0.18790704994825 18.998 > 25 76 F 0.69129670595657 0.25000000000000 0.78666063915877 18.998 > 26 77 F 0.69129670595657 0.58333333333333 0.78666063915877 18.998 > 26 78 F 0.69129670595657 0.91666666666667 0.78666063915877 18.998 > 26 79 F 0.47493234433227 0.25000000000000 0.64721119273295 18.998 > 27 80 F 0.47493234433227 0.58333333333333 0.64721119273295 18.998 > 27 81 F 0.47493234433227 0.91666666666667 0.64721119273295 18.998 > 27 82 F 0.04226420688018 0.08333333333333 0.59790709278749 18.998 > 28 83 F 0.04226420688018 0.41666666666667 0.59790709278749 18.998 > 28 84 F 0.04226420688018 0.75000000000000 0.59790709278749 18.998 > 28 85 F 0.95773579311982 0.25000000000000 0.40209290721251 18.998 > 29 86 F 0.95773579311982 0.58333333333333 0.40209290721251 18.998 > 29 87 F 0.95773579311982 0.91666666666667 0.40209290721251 18.998 > 29 88 F 0.80150707874493 0.25000000000000 0.99548830261492 18.998 > 30 89 F 0.80150707874493 0.58333333333333 0.99548830261492 18.998 > 30 90 F 0.80150707874493 0.91666666666667 0.99548830261492 18.998 > 30 91 F 0.19129670595657 0.25000000000000 0.71333936084123 18.998 > 31 92 F 0.19129670595657 0.58333333333333 0.71333936084123 18.998 > 31 93 F 0.19129670595657 0.91666666666667 0.71333936084123 18.998 > 31 94 F 0.69849292125507 0.08333333333333 0.49548830261492 18.998 > 32 95 F 0.69849292125507 0.41666666666667 0.49548830261492 18.998 > 32 96 F 0.69849292125507 0.75000000000000 0.49548830261492 18.998 > 32 97 F 0.66607426799503 0.25000000000000 0.31209295005175 18.998 > 33 98 F 0.66607426799503 0.58333333333333 0.31209295005175 18.998 > 33 99 F 0.66607426799503 0.91666666666667 0.31209295005175 18.998 > 33 100 F 0.30150707874493 0.25000000000000 0.50451169738508 18.998 > 34 101 F 0.30150707874493 0.58333333333333 0.50451169738508 18.998 > 34 102 F 0.30150707874493 0.91666666666667 0.50451169738508 18.998 > 34 103 F 0.97493234433228 0.25000000000000 0.85278880726705 18.998 > 35 104 F 0.97493234433228 0.58333333333333 0.85278880726705 18.998 > 35 105 F 0.97493234433228 0.91666666666667 0.85278880726705 18.998 > 35 106 F 0.30870329404343 0.08333333333333 0.21333936084123 18.998 > 36 107 F 0.30870329404343 0.41666666666667 0.21333936084123 18.998 > 36 108 F 0.30870329404343 0.75000000000000 0.21333936084123 18.998 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1653220 0.0000000 0.0000000 0.0000000 2.1948025 0.0000000 0.0000000 0.0000000 2.1079496 -------------------------- Born effective charges -------------------------- 1 Na 1.1407537 0.0000000 0.0665552 0.0000000 1.0480061 0.0000000 0.0410570 0.0000000 1.1560092 2 Na 1.1407537 0.0000000 -0.0665552 0.0000000 1.0480061 0.0000000 -0.0410570 0.0000000 1.1560092 3 Na 1.1407537 0.0000000 0.0665552 0.0000000 1.0480061 0.0000000 0.0410570 0.0000000 1.1560092 4 Na 1.1407537 0.0000000 -0.0665552 0.0000000 1.0480061 0.0000000 -0.0410570 0.0000000 1.1560092 5 Al 2.7672857 0.0000000 -0.3814033 0.0000000 2.9286858 0.0000000 -0.3671503 0.0000000 2.8367911 6 Al 2.7672857 0.0000000 -0.3814033 0.0000000 2.9286858 0.0000000 -0.3671503 0.0000000 2.8367911 7 Al 2.7672857 0.0000000 0.3814033 0.0000000 2.9286858 0.0000000 0.3671503 0.0000000 2.8367911 8 Al 2.7672857 0.0000000 0.3814033 0.0000000 2.9286858 0.0000000 0.3671503 0.0000000 2.8367911 9 Cd 2.2796717 0.0000000 -0.0736571 0.0000000 2.4513957 0.0000000 -0.1208255 0.0000000 2.0222714 10 Cd 2.2796717 0.0000000 0.0736571 0.0000000 2.4513957 0.0000000 0.1208255 0.0000000 2.0222714 11 Cd 2.2796717 0.0000000 -0.0736571 0.0000000 2.4513957 0.0000000 -0.1208255 0.0000000 2.0222714 12 Cd 2.2796717 0.0000000 0.0736571 0.0000000 2.4513957 0.0000000 0.1208255 0.0000000 2.0222714 13 F -0.7192802 0.0000000 -0.2722735 0.0000000 -1.1571404 0.0000000 -0.1771087 0.0000000 -1.4127132 14 F -1.1457392 0.0000000 0.0222032 0.0000000 -1.2577510 0.0000000 0.0157509 0.0000000 -0.8219130 15 F -0.7192802 0.0000000 0.2722735 0.0000000 -1.1571404 0.0000000 0.1771087 0.0000000 -1.4127132 16 F -1.2249976 0.0000000 -0.0145101 0.0000000 -0.8538721 0.0000000 -0.0328796 0.0000000 -0.8490160 17 F -1.1521240 0.0000000 0.1568287 0.0000000 -0.7004161 0.0000000 0.1198908 0.0000000 -1.1405649 18 F -1.2195041 0.0000000 -0.1295129 0.0000000 -0.7975290 0.0000000 -0.2274383 0.0000000 -1.0311635 19 F -0.7192802 0.0000000 -0.2722735 0.0000000 -1.1571404 0.0000000 -0.1771087 0.0000000 -1.4127132 20 F -1.1457392 0.0000000 0.0222032 0.0000000 -1.2577510 0.0000000 0.0157509 0.0000000 -0.8219130 21 F -0.7192802 0.0000000 0.2722735 0.0000000 -1.1571404 0.0000000 0.1771087 0.0000000 -1.4127132 22 F -0.7260663 0.0000000 0.1042752 0.0000000 -1.6613789 0.0000000 0.0985700 0.0000000 -0.7597011 23 F -1.2249976 0.0000000 0.0145101 0.0000000 -0.8538721 0.0000000 0.0328796 0.0000000 -0.8490160 24 F -0.7260663 0.0000000 -0.1042752 0.0000000 -1.6613789 0.0000000 -0.0985700 0.0000000 -0.7597011 25 F -0.7260663 0.0000000 0.1042752 0.0000000 -1.6613789 0.0000000 0.0985700 0.0000000 -0.7597011 26 F -1.2195041 0.0000000 0.1295129 0.0000000 -0.7975290 0.0000000 0.2274383 0.0000000 -1.0311635 27 F -1.2249976 0.0000000 0.0145101 0.0000000 -0.8538721 0.0000000 0.0328796 0.0000000 -0.8490160 28 F -1.1457392 0.0000000 -0.0222032 0.0000000 -1.2577510 0.0000000 -0.0157509 0.0000000 -0.8219130 29 F -1.1457392 0.0000000 -0.0222032 0.0000000 -1.2577510 0.0000000 -0.0157509 0.0000000 -0.8219130 30 F -1.1521240 0.0000000 0.1568287 0.0000000 -0.7004161 0.0000000 0.1198908 0.0000000 -1.1405649 31 F -1.2195041 0.0000000 -0.1295129 0.0000000 -0.7975290 0.0000000 -0.2274383 0.0000000 -1.0311635 32 F -1.1521240 0.0000000 -0.1568287 0.0000000 -0.7004161 0.0000000 -0.1198908 0.0000000 -1.1405649 33 F -0.7260663 0.0000000 -0.1042752 0.0000000 -1.6613789 0.0000000 -0.0985700 0.0000000 -0.7597011 34 F -1.1521240 0.0000000 -0.1568287 0.0000000 -0.7004161 0.0000000 -0.1198908 0.0000000 -1.1405649 35 F -1.2249976 0.0000000 -0.0145101 0.0000000 -0.8538721 0.0000000 -0.0328796 0.0000000 -0.8490160 36 F -1.2195041 0.0000000 0.1295129 0.0000000 -0.7975290 0.0000000 0.2274383 0.0000000 -1.0311635 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 17766/17766 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2376 Number of blocks in projector: 2376 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 648 Use submatrix version of eigh solver. (1) Block: 500 / 648 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 648 / 648 (1) 130 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2376, 2331), data: False |-- (324, 324), data: True |-- (324, 324), data: True |-- (360, 351), data: True |-- (360, 351), data: True |-- (360, 351), data: True |-- (648, 630), data: False |-- (648, 18), data: (648, 36) @ (36, 18) |-- (148, 130), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 560 - Time: 0.716 Solver_block: 200 / 560 - Time: 0.616 Solver_block: 300 / 560 - Time: 0.607 Solver_block: 400 / 560 - Time: 0.615 Solver_block: 500 / 560 - Time: 0.615 Solver_block: 560 / 560 - Time: 0.438 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.694 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 17766/17766 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2376 Number of blocks in projector: 2376 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 648 Use submatrix version of eigh solver. (1) Block: 500 / 648 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 648 / 648 (1) 130 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2376, 2331), data: False |-- (324, 324), data: True |-- (324, 324), data: True |-- (360, 351), data: True |-- (360, 351), data: True |-- (360, 351), data: True |-- (648, 630), data: False |-- (648, 18), data: (648, 36) @ (36, 18) |-- (148, 130), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:42:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:42:01]------------------------- 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: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.470631890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.655670000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.986557480000000 Atomic positions (fractional): 1 Na 0.91398080765408 0.75000000000000 0.17619634936238 22.990 2 Na 0.41398080765408 0.75000000000000 0.32380365063762 22.990 3 Na 0.08601919234592 0.25000000000000 0.82380365063762 22.990 4 Na 0.58601919234592 0.25000000000000 0.67619634936238 22.990 5 Al 0.83587190235608 0.75000000000000 0.81909404605066 26.982 6 Al 0.16412809764392 0.25000000000000 0.18090595394934 26.982 7 Al 0.33587190235608 0.75000000000000 0.68090595394934 26.982 8 Al 0.66412809764392 0.25000000000000 0.31909404605066 26.982 9 Cd 0.37960318599935 0.25000000000000 0.00024906685428 112.411 10 Cd 0.87960318599935 0.25000000000000 0.49975093314572 112.411 11 Cd 0.62039681400065 0.75000000000000 0.99975093314572 112.411 12 Cd 0.12039681400065 0.75000000000000 0.50024906685428 112.411 13 F 0.64474019896518 0.25000000000000 0.13760027619255 18.998 14 F 0.45773579311982 0.75000000000000 0.09790709278750 18.998 15 F 0.14474019896518 0.25000000000000 0.36239972380745 18.998 16 F 0.02506765566773 0.25000000000000 0.14721119273295 18.998 17 F 0.19849292125507 0.25000000000000 0.00451169738508 18.998 18 F 0.80870329404343 0.25000000000000 0.28666063915877 18.998 19 F 0.35525980103482 0.75000000000000 0.86239972380745 18.998 20 F 0.54226420688018 0.25000000000000 0.90209290721251 18.998 21 F 0.85525980103482 0.75000000000000 0.63760027619255 18.998 22 F 0.83392573200497 0.25000000000000 0.81209295005175 18.998 23 F 0.52506765566772 0.25000000000000 0.35278880726705 18.998 24 F 0.33392573200497 0.25000000000000 0.68790704994825 18.998 25 F 0.16607426799503 0.75000000000000 0.18790704994825 18.998 26 F 0.69129670595657 0.75000000000000 0.78666063915877 18.998 27 F 0.47493234433227 0.75000000000000 0.64721119273295 18.998 28 F 0.04226420688018 0.25000000000000 0.59790709278749 18.998 29 F 0.95773579311982 0.75000000000000 0.40209290721251 18.998 30 F 0.80150707874493 0.75000000000000 0.99548830261492 18.998 31 F 0.19129670595657 0.75000000000000 0.71333936084123 18.998 32 F 0.69849292125507 0.25000000000000 0.49548830261492 18.998 33 F 0.66607426799503 0.75000000000000 0.31209295005175 18.998 34 F 0.30150707874493 0.75000000000000 0.50451169738508 18.998 35 F 0.97493234433228 0.75000000000000 0.85278880726705 18.998 36 F 0.30870329404343 0.25000000000000 0.21333936084123 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.470631890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.967010000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.986557480000000 Atomic positions (fractional): 1 Na 0.91398080765408 0.25000000000000 0.17619634936238 22.990 > 1 2 Na 0.91398080765408 0.58333333333333 0.17619634936238 22.990 > 1 3 Na 0.91398080765408 0.91666666666667 0.17619634936238 22.990 > 1 4 Na 0.41398080765408 0.25000000000000 0.32380365063762 22.990 > 4 5 Na 0.41398080765408 0.58333333333333 0.32380365063762 22.990 > 4 6 Na 0.41398080765408 0.91666666666667 0.32380365063762 22.990 > 4 7 Na 0.08601919234592 0.08333333333333 0.82380365063762 22.990 > 7 8 Na 0.08601919234592 0.41666666666667 0.82380365063762 22.990 > 7 9 Na 0.08601919234592 0.75000000000000 0.82380365063762 22.990 > 7 10 Na 0.58601919234592 0.08333333333333 0.67619634936238 22.990 > 10 11 Na 0.58601919234592 0.41666666666667 0.67619634936238 22.990 > 10 12 Na 0.58601919234592 0.75000000000000 0.67619634936238 22.990 > 10 13 Al 0.83587190235608 0.25000000000000 0.81909404605066 26.982 > 13 14 Al 0.83587190235608 0.58333333333333 0.81909404605066 26.982 > 13 15 Al 0.83587190235608 0.91666666666667 0.81909404605066 26.982 > 13 16 Al 0.16412809764392 0.08333333333333 0.18090595394934 26.982 > 16 17 Al 0.16412809764392 0.41666666666667 0.18090595394934 26.982 > 16 18 Al 0.16412809764392 0.75000000000000 0.18090595394934 26.982 > 16 19 Al 0.33587190235608 0.25000000000000 0.68090595394934 26.982 > 19 20 Al 0.33587190235608 0.58333333333333 0.68090595394934 26.982 > 19 21 Al 0.33587190235608 0.91666666666667 0.68090595394934 26.982 > 19 22 Al 0.66412809764392 0.08333333333333 0.31909404605066 26.982 > 22 23 Al 0.66412809764392 0.41666666666667 0.31909404605066 26.982 > 22 24 Al 0.66412809764392 0.75000000000000 0.31909404605066 26.982 > 22 25 Cd 0.37960318599935 0.08333333333333 0.00024906685428 112.411 > 25 26 Cd 0.37960318599935 0.41666666666667 0.00024906685428 112.411 > 25 27 Cd 0.37960318599935 0.75000000000000 0.00024906685428 112.411 > 25 28 Cd 0.87960318599935 0.08333333333333 0.49975093314572 112.411 > 28 29 Cd 0.87960318599935 0.41666666666667 0.49975093314572 112.411 > 28 30 Cd 0.87960318599935 0.75000000000000 0.49975093314572 112.411 > 28 31 Cd 0.62039681400065 0.25000000000000 0.99975093314572 112.411 > 31 32 Cd 0.62039681400065 0.58333333333333 0.99975093314572 112.411 > 31 33 Cd 0.62039681400065 0.91666666666667 0.99975093314572 112.411 > 31 34 Cd 0.12039681400065 0.25000000000000 0.50024906685428 112.411 > 34 35 Cd 0.12039681400065 0.58333333333333 0.50024906685428 112.411 > 34 36 Cd 0.12039681400065 0.91666666666667 0.50024906685428 112.411 > 34 37 F 0.64474019896518 0.08333333333333 0.13760027619255 18.998 > 37 38 F 0.64474019896518 0.41666666666667 0.13760027619255 18.998 > 37 39 F 0.64474019896518 0.75000000000000 0.13760027619255 18.998 > 37 40 F 0.45773579311982 0.25000000000000 0.09790709278750 18.998 > 40 41 F 0.45773579311982 0.58333333333333 0.09790709278750 18.998 > 40 42 F 0.45773579311982 0.91666666666667 0.09790709278750 18.998 > 40 43 F 0.14474019896518 0.08333333333333 0.36239972380745 18.998 > 43 44 F 0.14474019896518 0.41666666666667 0.36239972380745 18.998 > 43 45 F 0.14474019896518 0.75000000000000 0.36239972380745 18.998 > 43 46 F 0.02506765566773 0.08333333333333 0.14721119273295 18.998 > 46 47 F 0.02506765566773 0.41666666666667 0.14721119273295 18.998 > 46 48 F 0.02506765566773 0.75000000000000 0.14721119273295 18.998 > 46 49 F 0.19849292125507 0.08333333333333 0.00451169738508 18.998 > 49 50 F 0.19849292125507 0.41666666666667 0.00451169738508 18.998 > 49 51 F 0.19849292125507 0.75000000000000 0.00451169738508 18.998 > 49 52 F 0.80870329404343 0.08333333333333 0.28666063915877 18.998 > 52 53 F 0.80870329404343 0.41666666666667 0.28666063915877 18.998 > 52 54 F 0.80870329404343 0.75000000000000 0.28666063915877 18.998 > 52 55 F 0.35525980103482 0.25000000000000 0.86239972380745 18.998 > 55 56 F 0.35525980103482 0.58333333333333 0.86239972380745 18.998 > 55 57 F 0.35525980103482 0.91666666666667 0.86239972380745 18.998 > 55 58 F 0.54226420688018 0.08333333333333 0.90209290721251 18.998 > 58 59 F 0.54226420688018 0.41666666666667 0.90209290721251 18.998 > 58 60 F 0.54226420688018 0.75000000000000 0.90209290721251 18.998 > 58 61 F 0.85525980103482 0.25000000000000 0.63760027619255 18.998 > 61 62 F 0.85525980103482 0.58333333333333 0.63760027619255 18.998 > 61 63 F 0.85525980103482 0.91666666666667 0.63760027619255 18.998 > 61 64 F 0.83392573200497 0.08333333333333 0.81209295005175 18.998 > 64 65 F 0.83392573200497 0.41666666666667 0.81209295005175 18.998 > 64 66 F 0.83392573200497 0.75000000000000 0.81209295005175 18.998 > 64 67 F 0.52506765566772 0.08333333333333 0.35278880726705 18.998 > 67 68 F 0.52506765566772 0.41666666666667 0.35278880726705 18.998 > 67 69 F 0.52506765566772 0.75000000000000 0.35278880726705 18.998 > 67 70 F 0.33392573200497 0.08333333333333 0.68790704994825 18.998 > 70 71 F 0.33392573200497 0.41666666666667 0.68790704994825 18.998 > 70 72 F 0.33392573200497 0.75000000000000 0.68790704994825 18.998 > 70 73 F 0.16607426799503 0.25000000000000 0.18790704994825 18.998 > 73 74 F 0.16607426799503 0.58333333333333 0.18790704994825 18.998 > 73 75 F 0.16607426799503 0.91666666666667 0.18790704994825 18.998 > 73 76 F 0.69129670595657 0.25000000000000 0.78666063915877 18.998 > 76 77 F 0.69129670595657 0.58333333333333 0.78666063915877 18.998 > 76 78 F 0.69129670595657 0.91666666666667 0.78666063915877 18.998 > 76 79 F 0.47493234433227 0.25000000000000 0.64721119273295 18.998 > 79 80 F 0.47493234433227 0.58333333333333 0.64721119273295 18.998 > 79 81 F 0.47493234433227 0.91666666666667 0.64721119273295 18.998 > 79 82 F 0.04226420688018 0.08333333333333 0.59790709278749 18.998 > 82 83 F 0.04226420688018 0.41666666666667 0.59790709278749 18.998 > 82 84 F 0.04226420688018 0.75000000000000 0.59790709278749 18.998 > 82 85 F 0.95773579311982 0.25000000000000 0.40209290721251 18.998 > 85 86 F 0.95773579311982 0.58333333333333 0.40209290721251 18.998 > 85 87 F 0.95773579311982 0.91666666666667 0.40209290721251 18.998 > 85 88 F 0.80150707874493 0.25000000000000 0.99548830261492 18.998 > 88 89 F 0.80150707874493 0.58333333333333 0.99548830261492 18.998 > 88 90 F 0.80150707874493 0.91666666666667 0.99548830261492 18.998 > 88 91 F 0.19129670595657 0.25000000000000 0.71333936084123 18.998 > 91 92 F 0.19129670595657 0.58333333333333 0.71333936084123 18.998 > 91 93 F 0.19129670595657 0.91666666666667 0.71333936084123 18.998 > 91 94 F 0.69849292125507 0.08333333333333 0.49548830261492 18.998 > 94 95 F 0.69849292125507 0.41666666666667 0.49548830261492 18.998 > 94 96 F 0.69849292125507 0.75000000000000 0.49548830261492 18.998 > 94 97 F 0.66607426799503 0.25000000000000 0.31209295005175 18.998 > 97 98 F 0.66607426799503 0.58333333333333 0.31209295005175 18.998 > 97 99 F 0.66607426799503 0.91666666666667 0.31209295005175 18.998 > 97 100 F 0.30150707874493 0.25000000000000 0.50451169738508 18.998 > 100 101 F 0.30150707874493 0.58333333333333 0.50451169738508 18.998 > 100 102 F 0.30150707874493 0.91666666666667 0.50451169738508 18.998 > 100 103 F 0.97493234433228 0.25000000000000 0.85278880726705 18.998 > 103 104 F 0.97493234433228 0.58333333333333 0.85278880726705 18.998 > 103 105 F 0.97493234433228 0.91666666666667 0.85278880726705 18.998 > 103 106 F 0.30870329404343 0.08333333333333 0.21333936084123 18.998 > 106 107 F 0.30870329404343 0.41666666666667 0.21333936084123 18.998 > 106 108 F 0.30870329404343 0.75000000000000 0.21333936084123 18.998 > 106 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1653220 0.0000000 0.0000000 0.0000000 2.1948025 0.0000000 0.0000000 0.0000000 2.1079496 -------------------------- Born effective charges -------------------------- 1 Na 1.1407537 0.0000000 0.0665552 0.0000000 1.0480061 0.0000000 0.0410570 0.0000000 1.1560092 2 Na 1.1407537 0.0000000 -0.0665552 0.0000000 1.0480061 0.0000000 -0.0410570 0.0000000 1.1560092 3 Na 1.1407537 0.0000000 0.0665552 0.0000000 1.0480061 0.0000000 0.0410570 0.0000000 1.1560092 4 Na 1.1407537 0.0000000 -0.0665552 0.0000000 1.0480061 0.0000000 -0.0410570 0.0000000 1.1560092 5 Al 2.7672857 0.0000000 -0.3814033 0.0000000 2.9286858 0.0000000 -0.3671503 0.0000000 2.8367911 6 Al 2.7672857 0.0000000 -0.3814033 0.0000000 2.9286858 0.0000000 -0.3671503 0.0000000 2.8367911 7 Al 2.7672857 0.0000000 0.3814033 0.0000000 2.9286858 0.0000000 0.3671503 0.0000000 2.8367911 8 Al 2.7672857 0.0000000 0.3814033 0.0000000 2.9286858 0.0000000 0.3671503 0.0000000 2.8367911 9 Cd 2.2796717 0.0000000 -0.0736571 0.0000000 2.4513957 0.0000000 -0.1208255 0.0000000 2.0222714 10 Cd 2.2796717 0.0000000 0.0736571 0.0000000 2.4513957 0.0000000 0.1208255 0.0000000 2.0222714 11 Cd 2.2796717 0.0000000 -0.0736571 0.0000000 2.4513957 0.0000000 -0.1208255 0.0000000 2.0222714 12 Cd 2.2796717 0.0000000 0.0736571 0.0000000 2.4513957 0.0000000 0.1208255 0.0000000 2.0222714 13 F -0.7192802 0.0000000 -0.2722735 0.0000000 -1.1571404 0.0000000 -0.1771087 0.0000000 -1.4127132 14 F -1.1457392 0.0000000 0.0222032 0.0000000 -1.2577510 0.0000000 0.0157509 0.0000000 -0.8219130 15 F -0.7192802 0.0000000 0.2722735 0.0000000 -1.1571404 0.0000000 0.1771087 0.0000000 -1.4127132 16 F -1.2249976 0.0000000 -0.0145101 0.0000000 -0.8538721 0.0000000 -0.0328796 0.0000000 -0.8490160 17 F -1.1521240 0.0000000 0.1568287 0.0000000 -0.7004161 0.0000000 0.1198908 0.0000000 -1.1405649 18 F -1.2195041 0.0000000 -0.1295129 0.0000000 -0.7975290 0.0000000 -0.2274383 0.0000000 -1.0311635 19 F -0.7192802 0.0000000 -0.2722735 0.0000000 -1.1571404 0.0000000 -0.1771087 0.0000000 -1.4127132 20 F -1.1457392 0.0000000 0.0222032 0.0000000 -1.2577510 0.0000000 0.0157509 0.0000000 -0.8219130 21 F -0.7192802 0.0000000 0.2722735 0.0000000 -1.1571404 0.0000000 0.1771087 0.0000000 -1.4127132 22 F -0.7260663 0.0000000 0.1042752 0.0000000 -1.6613789 0.0000000 0.0985700 0.0000000 -0.7597011 23 F -1.2249976 0.0000000 0.0145101 0.0000000 -0.8538721 0.0000000 0.0328796 0.0000000 -0.8490160 24 F -0.7260663 0.0000000 -0.1042752 0.0000000 -1.6613789 0.0000000 -0.0985700 0.0000000 -0.7597011 25 F -0.7260663 0.0000000 0.1042752 0.0000000 -1.6613789 0.0000000 0.0985700 0.0000000 -0.7597011 26 F -1.2195041 0.0000000 0.1295129 0.0000000 -0.7975290 0.0000000 0.2274383 0.0000000 -1.0311635 27 F -1.2249976 0.0000000 0.0145101 0.0000000 -0.8538721 0.0000000 0.0328796 0.0000000 -0.8490160 28 F -1.1457392 0.0000000 -0.0222032 0.0000000 -1.2577510 0.0000000 -0.0157509 0.0000000 -0.8219130 29 F -1.1457392 0.0000000 -0.0222032 0.0000000 -1.2577510 0.0000000 -0.0157509 0.0000000 -0.8219130 30 F -1.1521240 0.0000000 0.1568287 0.0000000 -0.7004161 0.0000000 0.1198908 0.0000000 -1.1405649 31 F -1.2195041 0.0000000 -0.1295129 0.0000000 -0.7975290 0.0000000 -0.2274383 0.0000000 -1.0311635 32 F -1.1521240 0.0000000 -0.1568287 0.0000000 -0.7004161 0.0000000 -0.1198908 0.0000000 -1.1405649 33 F -0.7260663 0.0000000 -0.1042752 0.0000000 -1.6613789 0.0000000 -0.0985700 0.0000000 -0.7597011 34 F -1.1521240 0.0000000 -0.1568287 0.0000000 -0.7004161 0.0000000 -0.1198908 0.0000000 -1.1405649 35 F -1.2249976 0.0000000 -0.0145101 0.0000000 -0.8538721 0.0000000 -0.0328796 0.0000000 -0.8490160 36 F -1.2195041 0.0000000 0.1295129 0.0000000 -0.7975290 0.0000000 0.2274383 0.0000000 -1.0311635 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 52, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 64, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:42:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:42:31]------------------------- 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): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.470631890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.655670000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.986557480000000 Atomic positions (fractional): 1 Na 0.91398080765408 0.75000000000000 0.17619634936238 22.990 2 Na 0.41398080765408 0.75000000000000 0.32380365063762 22.990 3 Na 0.08601919234592 0.25000000000000 0.82380365063762 22.990 4 Na 0.58601919234592 0.25000000000000 0.67619634936238 22.990 5 Al 0.83587190235608 0.75000000000000 0.81909404605066 26.982 6 Al 0.16412809764392 0.25000000000000 0.18090595394934 26.982 7 Al 0.33587190235608 0.75000000000000 0.68090595394934 26.982 8 Al 0.66412809764392 0.25000000000000 0.31909404605066 26.982 9 Cd 0.37960318599935 0.25000000000000 0.00024906685428 112.411 10 Cd 0.87960318599935 0.25000000000000 0.49975093314572 112.411 11 Cd 0.62039681400065 0.75000000000000 0.99975093314572 112.411 12 Cd 0.12039681400065 0.75000000000000 0.50024906685428 112.411 13 F 0.64474019896518 0.25000000000000 0.13760027619255 18.998 14 F 0.45773579311982 0.75000000000000 0.09790709278750 18.998 15 F 0.14474019896518 0.25000000000000 0.36239972380745 18.998 16 F 0.02506765566773 0.25000000000000 0.14721119273295 18.998 17 F 0.19849292125507 0.25000000000000 0.00451169738508 18.998 18 F 0.80870329404343 0.25000000000000 0.28666063915877 18.998 19 F 0.35525980103482 0.75000000000000 0.86239972380745 18.998 20 F 0.54226420688018 0.25000000000000 0.90209290721251 18.998 21 F 0.85525980103482 0.75000000000000 0.63760027619255 18.998 22 F 0.83392573200497 0.25000000000000 0.81209295005175 18.998 23 F 0.52506765566772 0.25000000000000 0.35278880726705 18.998 24 F 0.33392573200497 0.25000000000000 0.68790704994825 18.998 25 F 0.16607426799503 0.75000000000000 0.18790704994825 18.998 26 F 0.69129670595657 0.75000000000000 0.78666063915877 18.998 27 F 0.47493234433227 0.75000000000000 0.64721119273295 18.998 28 F 0.04226420688018 0.25000000000000 0.59790709278749 18.998 29 F 0.95773579311982 0.75000000000000 0.40209290721251 18.998 30 F 0.80150707874493 0.75000000000000 0.99548830261492 18.998 31 F 0.19129670595657 0.75000000000000 0.71333936084123 18.998 32 F 0.69849292125507 0.25000000000000 0.49548830261492 18.998 33 F 0.66607426799503 0.75000000000000 0.31209295005175 18.998 34 F 0.30150707874493 0.75000000000000 0.50451169738508 18.998 35 F 0.97493234433228 0.75000000000000 0.85278880726705 18.998 36 F 0.30870329404343 0.25000000000000 0.21333936084123 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.470631890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.967010000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.986557480000000 Atomic positions (fractional): 1 Na 0.91398080765408 0.25000000000000 0.17619634936238 22.990 > 1 2 Na 0.91398080765408 0.58333333333333 0.17619634936238 22.990 > 1 3 Na 0.91398080765408 0.91666666666667 0.17619634936238 22.990 > 1 4 Na 0.41398080765408 0.25000000000000 0.32380365063762 22.990 > 4 5 Na 0.41398080765408 0.58333333333333 0.32380365063762 22.990 > 4 6 Na 0.41398080765408 0.91666666666667 0.32380365063762 22.990 > 4 7 Na 0.08601919234592 0.08333333333333 0.82380365063762 22.990 > 7 8 Na 0.08601919234592 0.41666666666667 0.82380365063762 22.990 > 7 9 Na 0.08601919234592 0.75000000000000 0.82380365063762 22.990 > 7 10 Na 0.58601919234592 0.08333333333333 0.67619634936238 22.990 > 10 11 Na 0.58601919234592 0.41666666666667 0.67619634936238 22.990 > 10 12 Na 0.58601919234592 0.75000000000000 0.67619634936238 22.990 > 10 13 Al 0.83587190235608 0.25000000000000 0.81909404605066 26.982 > 13 14 Al 0.83587190235608 0.58333333333333 0.81909404605066 26.982 > 13 15 Al 0.83587190235608 0.91666666666667 0.81909404605066 26.982 > 13 16 Al 0.16412809764392 0.08333333333333 0.18090595394934 26.982 > 16 17 Al 0.16412809764392 0.41666666666667 0.18090595394934 26.982 > 16 18 Al 0.16412809764392 0.75000000000000 0.18090595394934 26.982 > 16 19 Al 0.33587190235608 0.25000000000000 0.68090595394934 26.982 > 19 20 Al 0.33587190235608 0.58333333333333 0.68090595394934 26.982 > 19 21 Al 0.33587190235608 0.91666666666667 0.68090595394934 26.982 > 19 22 Al 0.66412809764392 0.08333333333333 0.31909404605066 26.982 > 22 23 Al 0.66412809764392 0.41666666666667 0.31909404605066 26.982 > 22 24 Al 0.66412809764392 0.75000000000000 0.31909404605066 26.982 > 22 25 Cd 0.37960318599935 0.08333333333333 0.00024906685428 112.411 > 25 26 Cd 0.37960318599935 0.41666666666667 0.00024906685428 112.411 > 25 27 Cd 0.37960318599935 0.75000000000000 0.00024906685428 112.411 > 25 28 Cd 0.87960318599935 0.08333333333333 0.49975093314572 112.411 > 28 29 Cd 0.87960318599935 0.41666666666667 0.49975093314572 112.411 > 28 30 Cd 0.87960318599935 0.75000000000000 0.49975093314572 112.411 > 28 31 Cd 0.62039681400065 0.25000000000000 0.99975093314572 112.411 > 31 32 Cd 0.62039681400065 0.58333333333333 0.99975093314572 112.411 > 31 33 Cd 0.62039681400065 0.91666666666667 0.99975093314572 112.411 > 31 34 Cd 0.12039681400065 0.25000000000000 0.50024906685428 112.411 > 34 35 Cd 0.12039681400065 0.58333333333333 0.50024906685428 112.411 > 34 36 Cd 0.12039681400065 0.91666666666667 0.50024906685428 112.411 > 34 37 F 0.64474019896518 0.08333333333333 0.13760027619255 18.998 > 37 38 F 0.64474019896518 0.41666666666667 0.13760027619255 18.998 > 37 39 F 0.64474019896518 0.75000000000000 0.13760027619255 18.998 > 37 40 F 0.45773579311982 0.25000000000000 0.09790709278750 18.998 > 40 41 F 0.45773579311982 0.58333333333333 0.09790709278750 18.998 > 40 42 F 0.45773579311982 0.91666666666667 0.09790709278750 18.998 > 40 43 F 0.14474019896518 0.08333333333333 0.36239972380745 18.998 > 43 44 F 0.14474019896518 0.41666666666667 0.36239972380745 18.998 > 43 45 F 0.14474019896518 0.75000000000000 0.36239972380745 18.998 > 43 46 F 0.02506765566773 0.08333333333333 0.14721119273295 18.998 > 46 47 F 0.02506765566773 0.41666666666667 0.14721119273295 18.998 > 46 48 F 0.02506765566773 0.75000000000000 0.14721119273295 18.998 > 46 49 F 0.19849292125507 0.08333333333333 0.00451169738508 18.998 > 49 50 F 0.19849292125507 0.41666666666667 0.00451169738508 18.998 > 49 51 F 0.19849292125507 0.75000000000000 0.00451169738508 18.998 > 49 52 F 0.80870329404343 0.08333333333333 0.28666063915877 18.998 > 52 53 F 0.80870329404343 0.41666666666667 0.28666063915877 18.998 > 52 54 F 0.80870329404343 0.75000000000000 0.28666063915877 18.998 > 52 55 F 0.35525980103482 0.25000000000000 0.86239972380745 18.998 > 55 56 F 0.35525980103482 0.58333333333333 0.86239972380745 18.998 > 55 57 F 0.35525980103482 0.91666666666667 0.86239972380745 18.998 > 55 58 F 0.54226420688018 0.08333333333333 0.90209290721251 18.998 > 58 59 F 0.54226420688018 0.41666666666667 0.90209290721251 18.998 > 58 60 F 0.54226420688018 0.75000000000000 0.90209290721251 18.998 > 58 61 F 0.85525980103482 0.25000000000000 0.63760027619255 18.998 > 61 62 F 0.85525980103482 0.58333333333333 0.63760027619255 18.998 > 61 63 F 0.85525980103482 0.91666666666667 0.63760027619255 18.998 > 61 64 F 0.83392573200497 0.08333333333333 0.81209295005175 18.998 > 64 65 F 0.83392573200497 0.41666666666667 0.81209295005175 18.998 > 64 66 F 0.83392573200497 0.75000000000000 0.81209295005175 18.998 > 64 67 F 0.52506765566772 0.08333333333333 0.35278880726705 18.998 > 67 68 F 0.52506765566772 0.41666666666667 0.35278880726705 18.998 > 67 69 F 0.52506765566772 0.75000000000000 0.35278880726705 18.998 > 67 70 F 0.33392573200497 0.08333333333333 0.68790704994825 18.998 > 70 71 F 0.33392573200497 0.41666666666667 0.68790704994825 18.998 > 70 72 F 0.33392573200497 0.75000000000000 0.68790704994825 18.998 > 70 73 F 0.16607426799503 0.25000000000000 0.18790704994825 18.998 > 73 74 F 0.16607426799503 0.58333333333333 0.18790704994825 18.998 > 73 75 F 0.16607426799503 0.91666666666667 0.18790704994825 18.998 > 73 76 F 0.69129670595657 0.25000000000000 0.78666063915877 18.998 > 76 77 F 0.69129670595657 0.58333333333333 0.78666063915877 18.998 > 76 78 F 0.69129670595657 0.91666666666667 0.78666063915877 18.998 > 76 79 F 0.47493234433227 0.25000000000000 0.64721119273295 18.998 > 79 80 F 0.47493234433227 0.58333333333333 0.64721119273295 18.998 > 79 81 F 0.47493234433227 0.91666666666667 0.64721119273295 18.998 > 79 82 F 0.04226420688018 0.08333333333333 0.59790709278749 18.998 > 82 83 F 0.04226420688018 0.41666666666667 0.59790709278749 18.998 > 82 84 F 0.04226420688018 0.75000000000000 0.59790709278749 18.998 > 82 85 F 0.95773579311982 0.25000000000000 0.40209290721251 18.998 > 85 86 F 0.95773579311982 0.58333333333333 0.40209290721251 18.998 > 85 87 F 0.95773579311982 0.91666666666667 0.40209290721251 18.998 > 85 88 F 0.80150707874493 0.25000000000000 0.99548830261492 18.998 > 88 89 F 0.80150707874493 0.58333333333333 0.99548830261492 18.998 > 88 90 F 0.80150707874493 0.91666666666667 0.99548830261492 18.998 > 88 91 F 0.19129670595657 0.25000000000000 0.71333936084123 18.998 > 91 92 F 0.19129670595657 0.58333333333333 0.71333936084123 18.998 > 91 93 F 0.19129670595657 0.91666666666667 0.71333936084123 18.998 > 91 94 F 0.69849292125507 0.08333333333333 0.49548830261492 18.998 > 94 95 F 0.69849292125507 0.41666666666667 0.49548830261492 18.998 > 94 96 F 0.69849292125507 0.75000000000000 0.49548830261492 18.998 > 94 97 F 0.66607426799503 0.25000000000000 0.31209295005175 18.998 > 97 98 F 0.66607426799503 0.58333333333333 0.31209295005175 18.998 > 97 99 F 0.66607426799503 0.91666666666667 0.31209295005175 18.998 > 97 100 F 0.30150707874493 0.25000000000000 0.50451169738508 18.998 > 100 101 F 0.30150707874493 0.58333333333333 0.50451169738508 18.998 > 100 102 F 0.30150707874493 0.91666666666667 0.50451169738508 18.998 > 100 103 F 0.97493234433228 0.25000000000000 0.85278880726705 18.998 > 103 104 F 0.97493234433228 0.58333333333333 0.85278880726705 18.998 > 103 105 F 0.97493234433228 0.91666666666667 0.85278880726705 18.998 > 103 106 F 0.30870329404343 0.08333333333333 0.21333936084123 18.998 > 106 107 F 0.30870329404343 0.41666666666667 0.21333936084123 18.998 > 106 108 F 0.30870329404343 0.75000000000000 0.21333936084123 18.998 > 106 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1653220 0.0000000 0.0000000 0.0000000 2.1948025 0.0000000 0.0000000 0.0000000 2.1079496 -------------------------- Born effective charges -------------------------- 1 Na 1.1407537 0.0000000 0.0665552 0.0000000 1.0480061 0.0000000 0.0410570 0.0000000 1.1560092 2 Na 1.1407537 0.0000000 -0.0665552 0.0000000 1.0480061 0.0000000 -0.0410570 0.0000000 1.1560092 3 Na 1.1407537 0.0000000 0.0665552 0.0000000 1.0480061 0.0000000 0.0410570 0.0000000 1.1560092 4 Na 1.1407537 0.0000000 -0.0665552 0.0000000 1.0480061 0.0000000 -0.0410570 0.0000000 1.1560092 5 Al 2.7672857 0.0000000 -0.3814033 0.0000000 2.9286858 0.0000000 -0.3671503 0.0000000 2.8367911 6 Al 2.7672857 0.0000000 -0.3814033 0.0000000 2.9286858 0.0000000 -0.3671503 0.0000000 2.8367911 7 Al 2.7672857 0.0000000 0.3814033 0.0000000 2.9286858 0.0000000 0.3671503 0.0000000 2.8367911 8 Al 2.7672857 0.0000000 0.3814033 0.0000000 2.9286858 0.0000000 0.3671503 0.0000000 2.8367911 9 Cd 2.2796717 0.0000000 -0.0736571 0.0000000 2.4513957 0.0000000 -0.1208255 0.0000000 2.0222714 10 Cd 2.2796717 0.0000000 0.0736571 0.0000000 2.4513957 0.0000000 0.1208255 0.0000000 2.0222714 11 Cd 2.2796717 0.0000000 -0.0736571 0.0000000 2.4513957 0.0000000 -0.1208255 0.0000000 2.0222714 12 Cd 2.2796717 0.0000000 0.0736571 0.0000000 2.4513957 0.0000000 0.1208255 0.0000000 2.0222714 13 F -0.7192802 0.0000000 -0.2722735 0.0000000 -1.1571404 0.0000000 -0.1771087 0.0000000 -1.4127132 14 F -1.1457392 0.0000000 0.0222032 0.0000000 -1.2577510 0.0000000 0.0157509 0.0000000 -0.8219130 15 F -0.7192802 0.0000000 0.2722735 0.0000000 -1.1571404 0.0000000 0.1771087 0.0000000 -1.4127132 16 F -1.2249976 0.0000000 -0.0145101 0.0000000 -0.8538721 0.0000000 -0.0328796 0.0000000 -0.8490160 17 F -1.1521240 0.0000000 0.1568287 0.0000000 -0.7004161 0.0000000 0.1198908 0.0000000 -1.1405649 18 F -1.2195041 0.0000000 -0.1295129 0.0000000 -0.7975290 0.0000000 -0.2274383 0.0000000 -1.0311635 19 F -0.7192802 0.0000000 -0.2722735 0.0000000 -1.1571404 0.0000000 -0.1771087 0.0000000 -1.4127132 20 F -1.1457392 0.0000000 0.0222032 0.0000000 -1.2577510 0.0000000 0.0157509 0.0000000 -0.8219130 21 F -0.7192802 0.0000000 0.2722735 0.0000000 -1.1571404 0.0000000 0.1771087 0.0000000 -1.4127132 22 F -0.7260663 0.0000000 0.1042752 0.0000000 -1.6613789 0.0000000 0.0985700 0.0000000 -0.7597011 23 F -1.2249976 0.0000000 0.0145101 0.0000000 -0.8538721 0.0000000 0.0328796 0.0000000 -0.8490160 24 F -0.7260663 0.0000000 -0.1042752 0.0000000 -1.6613789 0.0000000 -0.0985700 0.0000000 -0.7597011 25 F -0.7260663 0.0000000 0.1042752 0.0000000 -1.6613789 0.0000000 0.0985700 0.0000000 -0.7597011 26 F -1.2195041 0.0000000 0.1295129 0.0000000 -0.7975290 0.0000000 0.2274383 0.0000000 -1.0311635 27 F -1.2249976 0.0000000 0.0145101 0.0000000 -0.8538721 0.0000000 0.0328796 0.0000000 -0.8490160 28 F -1.1457392 0.0000000 -0.0222032 0.0000000 -1.2577510 0.0000000 -0.0157509 0.0000000 -0.8219130 29 F -1.1457392 0.0000000 -0.0222032 0.0000000 -1.2577510 0.0000000 -0.0157509 0.0000000 -0.8219130 30 F -1.1521240 0.0000000 0.1568287 0.0000000 -0.7004161 0.0000000 0.1198908 0.0000000 -1.1405649 31 F -1.2195041 0.0000000 -0.1295129 0.0000000 -0.7975290 0.0000000 -0.2274383 0.0000000 -1.0311635 32 F -1.1521240 0.0000000 -0.1568287 0.0000000 -0.7004161 0.0000000 -0.1198908 0.0000000 -1.1405649 33 F -0.7260663 0.0000000 -0.1042752 0.0000000 -1.6613789 0.0000000 -0.0985700 0.0000000 -0.7597011 34 F -1.1521240 0.0000000 -0.1568287 0.0000000 -0.7004161 0.0000000 -0.1198908 0.0000000 -1.1405649 35 F -1.2249976 0.0000000 -0.0145101 0.0000000 -0.8538721 0.0000000 -0.0328796 0.0000000 -0.8490160 36 F -1.2195041 0.0000000 0.1295129 0.0000000 -0.7975290 0.0000000 0.2274383 0.0000000 -1.0311635 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 14 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 281, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.520 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.932 ( 0.000 0.000 0.000) 0.000 2.073 ( 0.000 0.000 0.000) 0.000 2.122 ( 0.000 0.000 0.000) 0.000 2.263 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.095 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.979 ( 0.000 0.000 0.000) 0.000 4.048 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.362 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 4.816 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 4.914 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.445 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 6.602 ( 0.000 0.000 0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 7.119 ( 0.000 0.000 0.000) 0.000 7.138 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.412 ( 0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 7.581 ( 0.000 0.000 0.000) 0.000 7.617 ( 0.000 0.000 0.000) 0.000 7.814 ( 0.000 0.000 0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 7.885 ( 0.000 0.000 0.000) 0.000 7.948 ( 0.000 0.000 0.000) 0.000 8.340 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.585 ( 0.000 0.000 0.000) 0.000 8.845 ( 0.000 0.000 0.000) 0.000 8.906 ( 0.000 0.000 0.000) 0.000 9.120 ( 0.000 0.000 0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.632 ( 0.000 0.000 0.000) 0.000 9.802 ( 0.000 0.000 0.000) 0.000 9.953 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.095 ( 0.000 0.000 0.000) 0.000 10.230 ( 0.000 0.000 0.000) 0.000 10.342 ( 0.000 0.000 0.000) 0.000 10.517 ( 0.000 0.000 0.000) 0.000 10.585 ( 0.000 0.000 0.000) 0.000 10.600 ( 0.000 0.000 0.000) 0.000 10.726 ( 0.000 0.000 0.000) 0.000 11.483 ( 0.000 0.000 0.000) 0.000 11.563 ( 0.000 0.000 0.000) 0.000 11.623 ( 0.000 0.000 0.000) 0.000 11.658 ( 0.000 0.000 0.000) 0.000 11.777 ( 0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 12.342 ( 0.000 0.000 0.000) 0.000 12.523 ( 0.000 0.000 0.000) 0.000 12.605 ( 0.000 0.000 0.000) 0.000 12.916 ( 0.000 0.000 0.000) 0.000 13.302 ( 0.000 0.000 0.000) 0.000 15.461 ( 0.000 0.000 0.000) 0.000 15.477 ( 0.000 0.000 0.000) 0.000 15.504 ( 0.000 0.000 0.000) 0.000 15.550 ( 0.000 0.000 0.000) 0.000 16.909 ( 0.000 0.000 0.000) 0.000 17.099 ( 0.000 0.000 0.000) 0.000 18.243 ( 0.000 0.000 0.000) 0.000 18.243 ( 0.000 0.000 0.000) 0.000 18.245 ( 0.000 0.000 0.000) 0.000 18.247 ( 0.000 0.000 0.000) 0.000 18.305 ( 0.000 0.000 0.000) 0.000 18.908 ( 0.000 0.000 0.000) 0.000 19.072 ( 0.000 0.000 0.000) 0.000 19.233 ( 0.000 0.000 0.000) 0.000 20.052 ( 0.000 0.000 0.000) 0.000 20.657 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 24.208 0.000 0.000) 24.208 0.516 ( 24.831 0.000 0.000) 24.831 0.957 ( 45.693 0.000 0.000) 45.693 1.347 ( -14.934 0.000 0.000) 14.934 1.378 ( -18.577 0.000 0.000) 18.577 2.033 ( -4.390 0.000 0.000) 4.390 2.093 ( 9.801 0.000 0.000) 9.801 2.246 ( 5.818 0.000 0.000) 5.818 2.271 ( 0.288 0.000 0.000) 0.288 2.529 ( -5.964 0.000 0.000) 5.964 2.562 ( -3.523 0.000 0.000) 3.523 2.564 ( 2.303 0.000 0.000) 2.303 2.679 ( -2.146 0.000 0.000) 2.146 2.686 ( -3.437 0.000 0.000) 3.437 2.758 ( -7.298 0.000 0.000) 7.298 2.858 ( -19.504 0.000 0.000) 19.504 2.859 ( 4.373 0.000 0.000) 4.373 3.019 ( -2.860 0.000 0.000) 2.860 3.521 ( 4.232 0.000 0.000) 4.232 3.617 ( 19.490 0.000 0.000) 19.490 3.875 ( -10.601 0.000 0.000) 10.601 4.070 ( 2.110 0.000 0.000) 2.110 4.118 ( 3.534 0.000 0.000) 3.534 4.173 ( -1.907 0.000 0.000) 1.907 4.269 ( -2.514 0.000 0.000) 2.514 4.353 ( -5.201 0.000 0.000) 5.201 4.390 ( 1.604 0.000 0.000) 1.604 4.500 ( 5.109 0.000 0.000) 5.109 4.571 ( 13.270 0.000 0.000) 13.270 4.745 ( -10.944 0.000 0.000) 10.944 4.888 ( 7.113 0.000 0.000) 7.113 5.129 ( -4.257 0.000 0.000) 4.257 5.206 ( -3.911 0.000 0.000) 3.911 5.388 ( -6.917 0.000 0.000) 6.917 5.480 ( 1.017 0.000 0.000) 1.017 5.528 ( 3.605 0.000 0.000) 3.605 5.533 ( 1.960 0.000 0.000) 1.960 5.537 ( -1.236 0.000 0.000) 1.236 5.584 ( 0.992 0.000 0.000) 0.992 5.637 ( -1.058 0.000 0.000) 1.058 5.905 ( -0.465 0.000 0.000) 0.465 6.053 ( -5.423 0.000 0.000) 5.423 6.152 ( 4.853 0.000 0.000) 4.853 6.305 ( -1.424 0.000 0.000) 1.424 6.570 ( -0.599 0.000 0.000) 0.599 6.579 ( -1.302 0.000 0.000) 1.302 6.760 ( 5.083 0.000 0.000) 5.083 6.931 ( 1.250 0.000 0.000) 1.250 7.035 ( 0.395 0.000 0.000) 0.395 7.092 ( -2.078 0.000 0.000) 2.078 7.122 ( 0.648 0.000 0.000) 0.648 7.252 ( 1.802 0.000 0.000) 1.802 7.267 ( 1.110 0.000 0.000) 1.110 7.316 ( -4.158 0.000 0.000) 4.158 7.429 ( 1.374 0.000 0.000) 1.374 7.505 ( -0.725 0.000 0.000) 0.725 7.575 ( -0.369 0.000 0.000) 0.369 7.603 ( -1.249 0.000 0.000) 1.249 7.828 ( 1.241 0.000 0.000) 1.241 7.877 ( -0.766 0.000 0.000) 0.766 7.888 ( 1.887 0.000 0.000) 1.887 7.941 ( -0.458 0.000 0.000) 0.458 8.365 ( 2.419 0.000 0.000) 2.419 8.450 ( 8.376 0.000 0.000) 8.376 8.527 ( -4.606 0.000 0.000) 4.606 8.840 ( -6.614 0.000 0.000) 6.614 8.908 ( 5.039 0.000 0.000) 5.039 9.091 ( -2.828 0.000 0.000) 2.828 9.639 ( 1.063 0.000 0.000) 1.063 9.761 ( -3.609 0.000 0.000) 3.609 9.958 ( 0.503 0.000 0.000) 0.503 10.005 ( -1.806 0.000 0.000) 1.806 10.131 ( 2.574 0.000 0.000) 2.574 10.137 ( 3.821 0.000 0.000) 3.821 10.217 ( -1.258 0.000 0.000) 1.258 10.310 ( -3.116 0.000 0.000) 3.116 10.587 ( -0.040 0.000 0.000) 0.040 10.612 ( 1.694 0.000 0.000) 1.694 10.630 ( -1.752 0.000 0.000) 1.752 10.703 ( -1.933 0.000 0.000) 1.933 11.538 ( 0.288 0.000 0.000) 0.288 11.634 ( -2.267 0.000 0.000) 2.267 11.688 ( 3.143 0.000 0.000) 3.143 11.809 ( -2.718 0.000 0.000) 2.718 11.860 ( 7.446 0.000 0.000) 7.446 12.033 ( 0.042 0.000 0.000) 0.042 12.346 ( 0.383 0.000 0.000) 0.383 12.365 ( -0.582 0.000 0.000) 0.582 12.543 ( 1.911 0.000 0.000) 1.911 12.606 ( -0.137 0.000 0.000) 0.137 12.938 ( 2.655 0.000 0.000) 2.655 13.258 ( -9.932 0.000 0.000) 9.932 15.482 ( 0.405 0.000 0.000) 0.405 15.501 ( -0.356 0.000 0.000) 0.356 15.547 ( 0.054 0.000 0.000) 0.054 15.550 ( -0.045 0.000 0.000) 0.045 16.936 ( 2.644 0.000 0.000) 2.644 17.076 ( -2.446 0.000 0.000) 2.446 18.243 ( 0.009 0.000 0.000) 0.009 18.243 ( -0.011 0.000 0.000) 0.011 18.245 ( 0.023 0.000 0.000) 0.023 18.246 ( -0.022 0.000 0.000) 0.022 18.366 ( 6.578 0.000 0.000) 6.578 18.911 ( -14.268 0.000 0.000) 14.268 19.405 ( 14.957 0.000 0.000) 14.957 19.976 ( -8.038 0.000 0.000) 8.038 20.726 ( 6.180 0.000 0.000) 6.180 20.969 ( -3.674 0.000 0.000) 3.674 ======================= Grid point 2 (3/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -22.395 0.000 0.000) 22.395 0.962 ( 22.395 0.000 0.000) 22.395 0.979 ( -21.047 0.000 0.000) 21.047 0.979 ( 21.047 0.000 0.000) 21.047 1.752 ( -29.319 0.000 0.000) 29.319 1.752 ( 29.319 0.000 0.000) 29.319 2.240 ( -4.279 0.000 0.000) 4.279 2.240 ( 4.279 0.000 0.000) 4.279 2.333 ( -6.514 0.000 0.000) 6.514 2.333 ( 6.514 0.000 0.000) 6.514 2.580 ( -5.272 0.000 0.000) 5.272 2.580 ( 5.272 0.000 0.000) 5.272 2.644 ( -3.660 0.000 0.000) 3.660 2.644 ( 3.660 0.000 0.000) 3.660 2.648 ( -0.140 0.000 0.000) 0.140 2.648 ( 0.140 0.000 0.000) 0.140 2.946 ( -4.159 0.000 0.000) 4.159 2.946 ( 4.159 0.000 0.000) 4.159 3.649 ( -7.863 0.000 0.000) 7.863 3.649 ( 7.863 0.000 0.000) 7.863 4.090 ( -20.747 0.000 0.000) 20.747 4.090 ( 20.747 0.000 0.000) 20.747 4.123 ( -2.861 0.000 0.000) 2.861 4.123 ( 2.861 0.000 0.000) 2.861 4.200 ( -4.143 0.000 0.000) 4.143 4.200 ( 4.143 0.000 0.000) 4.143 4.436 ( -4.119 0.000 0.000) 4.119 4.436 ( 4.119 0.000 0.000) 4.119 4.717 ( -0.073 0.000 0.000) 0.073 4.717 ( 0.073 0.000 0.000) 0.073 5.042 ( -4.991 0.000 0.000) 4.991 5.042 ( 4.991 0.000 0.000) 4.991 5.209 ( -7.525 0.000 0.000) 7.525 5.209 ( 7.525 0.000 0.000) 7.525 5.507 ( -1.591 0.000 0.000) 1.591 5.507 ( 1.591 0.000 0.000) 1.591 5.560 ( -0.291 0.000 0.000) 0.291 5.560 ( 0.291 0.000 0.000) 0.291 5.610 ( -1.447 0.000 0.000) 1.447 5.610 ( 1.447 0.000 0.000) 1.447 5.948 ( -4.342 0.000 0.000) 4.342 5.948 ( 4.342 0.000 0.000) 4.342 6.245 ( -4.150 0.000 0.000) 4.150 6.245 ( 4.150 0.000 0.000) 4.150 6.567 ( -0.080 0.000 0.000) 0.080 6.567 ( 0.080 0.000 0.000) 0.080 6.872 ( -5.524 0.000 0.000) 5.524 6.872 ( 5.524 0.000 0.000) 5.524 7.054 ( -1.507 0.000 0.000) 1.507 7.054 ( 1.507 0.000 0.000) 1.507 7.209 ( -6.138 0.000 0.000) 6.138 7.209 ( 6.138 0.000 0.000) 6.138 7.277 ( -0.420 0.000 0.000) 0.420 7.277 ( 0.420 0.000 0.000) 0.420 7.469 ( -2.404 0.000 0.000) 2.404 7.469 ( 2.404 0.000 0.000) 2.404 7.578 ( -0.868 0.000 0.000) 0.868 7.578 ( 0.868 0.000 0.000) 0.868 7.856 ( -1.344 0.000 0.000) 1.344 7.856 ( 1.344 0.000 0.000) 1.344 7.925 ( -1.399 0.000 0.000) 1.399 7.925 ( 1.399 0.000 0.000) 1.399 8.434 ( -4.277 0.000 0.000) 4.277 8.434 ( 4.277 0.000 0.000) 4.277 8.656 ( -10.920 0.000 0.000) 10.920 8.656 ( 10.920 0.000 0.000) 10.920 9.012 ( -4.876 0.000 0.000) 4.876 9.012 ( 4.876 0.000 0.000) 4.876 9.684 ( -3.397 0.000 0.000) 3.397 9.684 ( 3.397 0.000 0.000) 3.397 9.974 ( -1.172 0.000 0.000) 1.172 9.974 ( 1.172 0.000 0.000) 1.172 10.181 ( -2.252 0.000 0.000) 2.252 10.181 ( 2.252 0.000 0.000) 2.252 10.227 ( -4.725 0.000 0.000) 4.725 10.227 ( 4.725 0.000 0.000) 4.725 10.596 ( -1.202 0.000 0.000) 1.202 10.596 ( 1.202 0.000 0.000) 1.202 10.658 ( -2.483 0.000 0.000) 2.483 10.658 ( 2.483 0.000 0.000) 2.483 11.577 ( -3.004 0.000 0.000) 3.004 11.577 ( 3.004 0.000 0.000) 3.004 11.747 ( -3.088 0.000 0.000) 3.088 11.747 ( 3.088 0.000 0.000) 3.088 11.995 ( -4.557 0.000 0.000) 4.557 11.995 ( 4.557 0.000 0.000) 4.557 12.354 ( -0.427 0.000 0.000) 0.427 12.354 ( 0.427 0.000 0.000) 0.427 12.587 ( -1.892 0.000 0.000) 1.892 12.587 ( 1.892 0.000 0.000) 1.892 13.050 ( -8.887 0.000 0.000) 8.887 13.050 ( 8.887 0.000 0.000) 8.887 15.492 ( -0.509 0.000 0.000) 0.509 15.492 ( 0.509 0.000 0.000) 0.509 15.548 ( -0.083 0.000 0.000) 0.083 15.548 ( 0.083 0.000 0.000) 0.083 17.007 ( -3.993 0.000 0.000) 3.993 17.007 ( 3.993 0.000 0.000) 3.993 18.243 ( -0.015 0.000 0.000) 0.015 18.243 ( 0.015 0.000 0.000) 0.015 18.246 ( -0.032 0.000 0.000) 0.032 18.246 ( 0.032 0.000 0.000) 0.032 18.593 ( -15.236 0.000 0.000) 15.236 18.593 ( 15.236 0.000 0.000) 15.236 19.732 ( -15.599 0.000 0.000) 15.599 19.732 ( 15.599 0.000 0.000) 15.599 20.863 ( -6.618 0.000 0.000) 6.618 20.863 ( 6.618 0.000 0.000) 6.618 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 0.000 25.067 0.000) 25.067 0.485 ( 0.000 25.666 0.000) 25.666 1.186 ( 0.000 55.084 0.000) 55.084 1.569 ( 0.000 5.317 0.000) 5.317 1.766 ( 0.000 10.122 0.000) 10.122 2.005 ( 0.000 0.625 0.000) 0.625 2.068 ( 0.000 0.077 0.000) 0.077 2.265 ( 0.000 14.599 0.000) 14.599 2.540 ( 0.000 -2.421 0.000) 2.421 2.610 ( 0.000 0.237 0.000) 0.237 2.618 ( 0.000 15.094 0.000) 15.094 2.622 ( 0.000 21.810 0.000) 21.810 2.757 ( 0.000 -1.838 0.000) 1.838 2.885 ( 0.000 7.018 0.000) 7.018 2.905 ( 0.000 17.899 0.000) 17.899 3.073 ( 0.000 16.391 0.000) 16.391 3.107 ( 0.000 10.167 0.000) 10.167 3.249 ( 0.000 18.379 0.000) 18.379 3.347 ( 0.000 2.083 0.000) 2.083 3.524 ( 0.000 4.174 0.000) 4.174 3.953 ( 0.000 -2.679 0.000) 2.679 4.042 ( 0.000 -3.331 0.000) 3.331 4.170 ( 0.000 10.450 0.000) 10.450 4.228 ( 0.000 -6.075 0.000) 6.075 4.275 ( 0.000 -0.233 0.000) 0.233 4.359 ( 0.000 -5.034 0.000) 5.034 4.401 ( 0.000 1.071 0.000) 1.071 4.440 ( 0.000 3.319 0.000) 3.319 4.576 ( 0.000 -7.221 0.000) 7.221 4.888 ( 0.000 13.028 0.000) 13.028 4.892 ( 0.000 4.019 0.000) 4.019 4.901 ( 0.000 0.016 0.000) 0.016 5.052 ( 0.000 -9.172 0.000) 9.172 5.162 ( 0.000 -8.364 0.000) 8.364 5.299 ( 0.000 -8.977 0.000) 8.977 5.456 ( 0.000 -1.620 0.000) 1.620 5.539 ( 0.000 -0.665 0.000) 0.665 5.545 ( 0.000 2.526 0.000) 2.526 5.634 ( 0.000 3.884 0.000) 3.884 5.829 ( 0.000 9.949 0.000) 9.949 5.909 ( 0.000 -1.578 0.000) 1.578 6.024 ( 0.000 -4.585 0.000) 4.585 6.117 ( 0.000 -0.347 0.000) 0.347 6.189 ( 0.000 4.163 0.000) 4.163 6.382 ( 0.000 -4.587 0.000) 4.587 6.519 ( 0.000 -5.949 0.000) 5.949 6.580 ( 0.000 -2.256 0.000) 2.256 6.793 ( 0.000 -6.474 0.000) 6.474 7.008 ( 0.000 -8.015 0.000) 8.015 7.090 ( 0.000 -3.508 0.000) 3.508 7.108 ( 0.000 -11.064 0.000) 11.064 7.197 ( 0.000 3.365 0.000) 3.365 7.434 ( 0.000 15.319 0.000) 15.319 7.491 ( 0.000 14.407 0.000) 14.407 7.514 ( 0.000 5.425 0.000) 5.425 7.604 ( 0.000 11.891 0.000) 11.891 7.723 ( 0.000 5.611 0.000) 5.611 7.847 ( 0.000 -2.465 0.000) 2.465 7.898 ( 0.000 5.034 0.000) 5.034 8.005 ( 0.000 10.361 0.000) 10.361 8.017 ( 0.000 16.061 0.000) 16.061 8.019 ( 0.000 8.603 0.000) 8.603 8.334 ( 0.000 -2.030 0.000) 2.030 8.505 ( 0.000 14.117 0.000) 14.117 8.623 ( 0.000 3.351 0.000) 3.351 8.660 ( 0.000 -7.790 0.000) 7.790 9.025 ( 0.000 -1.381 0.000) 1.381 9.218 ( 0.000 5.076 0.000) 5.076 9.364 ( 0.000 15.386 0.000) 15.386 9.710 ( 0.000 7.720 0.000) 7.720 9.785 ( 0.000 1.550 0.000) 1.550 9.861 ( 0.000 -6.967 0.000) 6.967 10.330 ( 0.000 25.029 0.000) 25.029 10.431 ( 0.000 19.018 0.000) 19.018 10.507 ( 0.000 1.340 0.000) 1.340 10.573 ( 0.000 1.186 0.000) 1.186 10.604 ( 0.000 1.808 0.000) 1.808 10.710 ( 0.000 -1.509 0.000) 1.509 10.761 ( 0.000 26.684 0.000) 26.684 11.465 ( 0.000 -1.829 0.000) 1.829 11.555 ( 0.000 -0.426 0.000) 0.426 11.617 ( 0.000 -0.538 0.000) 0.538 11.635 ( 0.000 -2.346 0.000) 2.346 11.774 ( 0.000 -0.178 0.000) 0.178 12.002 ( 0.000 -2.399 0.000) 2.399 12.197 ( 0.000 -0.203 0.000) 0.203 12.321 ( 0.000 -2.115 0.000) 2.115 12.499 ( 0.000 -2.232 0.000) 2.232 12.585 ( 0.000 -2.004 0.000) 2.004 12.834 ( 0.000 4.005 0.000) 4.005 12.888 ( 0.000 -2.802 0.000) 2.802 13.257 ( 0.000 -4.520 0.000) 4.520 15.253 ( 0.000 -19.477 0.000) 19.477 15.298 ( 0.000 -19.231 0.000) 19.231 15.308 ( 0.000 -22.364 0.000) 22.364 15.380 ( 0.000 -9.611 0.000) 9.611 16.902 ( 0.000 -0.627 0.000) 0.627 17.080 ( 0.000 -1.814 0.000) 1.814 18.223 ( 0.000 -4.482 0.000) 4.482 18.410 ( 0.000 14.786 0.000) 14.786 18.421 ( 0.000 11.258 0.000) 11.258 18.444 ( 0.000 17.730 0.000) 17.730 18.914 ( 0.000 1.482 0.000) 1.482 18.961 ( 0.000 -10.927 0.000) 10.927 19.202 ( 0.000 -3.124 0.000) 3.124 20.015 ( 0.000 -3.563 0.000) 3.563 20.035 ( 0.000 -0.016 0.000) 0.016 20.543 ( 0.000 -11.096 0.000) 11.096 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.25 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 17.530 17.053 0.000) 24.456 0.861 ( 23.698 16.197 0.000) 28.705 1.400 ( 3.192 25.225 0.000) 25.427 1.411 ( 5.142 23.025 0.000) 23.592 1.578 ( -14.299 13.390 0.000) 19.590 2.058 ( 0.690 3.517 0.000) 3.584 2.191 ( 7.318 -1.118 0.000) 7.403 2.321 ( 5.998 11.043 0.000) 12.567 2.494 ( -5.883 -2.161 0.000) 6.267 2.568 ( -3.419 2.057 0.000) 3.990 2.588 ( -4.093 12.559 0.000) 13.209 2.629 ( 0.757 13.301 0.000) 13.322 2.710 ( -2.227 4.604 0.000) 5.114 2.830 ( -8.784 2.736 0.000) 9.201 2.880 ( -1.161 21.668 0.000) 21.700 2.958 ( -8.805 21.170 0.000) 22.929 3.077 ( 1.904 16.099 0.000) 16.211 3.210 ( -3.380 17.279 0.000) 17.607 3.533 ( 2.287 2.239 0.000) 3.201 3.560 ( 15.342 -2.159 0.000) 15.493 3.835 ( -8.020 -2.371 0.000) 8.363 4.045 ( -0.647 -3.296 0.000) 3.359 4.214 ( 3.402 8.318 0.000) 8.986 4.287 ( 5.400 0.730 0.000) 5.449 4.323 ( -1.446 -2.499 0.000) 2.887 4.342 ( 1.216 4.068 0.000) 4.246 4.426 ( -2.739 0.792 0.000) 2.851 4.551 ( 7.526 1.103 0.000) 7.606 4.552 ( 7.170 -0.921 0.000) 7.229 4.751 ( -12.838 2.776 0.000) 13.135 4.885 ( 3.269 6.212 0.000) 7.020 5.015 ( -3.168 -6.889 0.000) 7.582 5.056 ( 1.624 -10.747 0.000) 10.869 5.219 ( 7.873 -13.353 0.000) 15.501 5.262 ( -4.472 -8.729 0.000) 9.808 5.428 ( -2.826 -8.059 0.000) 8.540 5.533 ( -0.494 -0.773 0.000) 0.917 5.534 ( -0.755 1.673 0.000) 1.835 5.645 ( 1.174 4.199 0.000) 4.360 5.755 ( -4.446 7.910 0.000) 9.074 5.902 ( 0.957 0.247 0.000) 0.989 6.047 ( -4.961 0.243 0.000) 4.966 6.105 ( 5.595 -3.051 0.000) 6.373 6.226 ( 0.746 -0.523 0.000) 0.911 6.446 ( 2.695 -7.522 0.000) 7.991 6.533 ( -3.054 -4.009 0.000) 5.040 6.619 ( 8.764 -4.229 0.000) 9.731 6.842 ( 1.947 -5.711 0.000) 6.033 7.013 ( 0.878 -8.228 0.000) 8.275 7.052 ( -2.352 -4.421 0.000) 5.008 7.156 ( 2.623 -11.014 0.000) 11.322 7.185 ( -1.260 0.763 0.000) 1.473 7.405 ( 0.097 13.211 0.000) 13.212 7.503 ( 0.082 15.055 0.000) 15.056 7.579 ( -1.441 14.774 0.000) 14.844 7.598 ( 4.509 12.064 0.000) 12.880 7.709 ( -0.821 6.587 0.000) 6.638 7.801 ( -5.835 4.666 0.000) 7.471 7.824 ( -1.617 -2.533 0.000) 3.005 7.922 ( -5.876 14.376 0.000) 15.531 8.032 ( 2.178 10.870 0.000) 11.086 8.051 ( 1.799 14.917 0.000) 15.025 8.406 ( 6.435 -2.960 0.000) 7.083 8.512 ( 1.028 12.499 0.000) 12.541 8.570 ( -3.376 3.591 0.000) 4.929 8.671 ( -1.030 -6.610 0.000) 6.690 9.089 ( 2.965 2.083 0.000) 3.624 9.192 ( -2.358 5.270 0.000) 5.773 9.471 ( 8.973 -0.139 0.000) 8.974 9.731 ( 1.853 7.779 0.000) 7.996 9.763 ( -2.665 0.248 0.000) 2.676 9.824 ( -3.177 -4.370 0.000) 5.403 10.337 ( 1.006 22.737 0.000) 22.759 10.414 ( -1.656 19.321 0.000) 19.392 10.513 ( 0.749 1.882 0.000) 2.025 10.581 ( 0.978 1.567 0.000) 1.848 10.584 ( -1.749 3.843 0.000) 4.222 10.683 ( -2.482 -0.080 0.000) 2.483 10.790 ( 3.054 25.810 0.000) 25.991 11.203 ( -19.915 21.118 0.000) 29.027 11.546 ( 1.258 1.394 0.000) 1.877 11.647 ( -0.635 -0.406 0.000) 0.754 11.683 ( 3.688 -0.336 0.000) 3.703 11.847 ( 6.634 -1.223 0.000) 6.746 11.958 ( -11.391 8.839 0.000) 14.419 12.030 ( -5.389 4.686 0.000) 7.141 12.329 ( 0.763 -1.688 0.000) 1.852 12.413 ( -8.402 5.466 0.000) 10.024 12.519 ( 2.047 -2.145 0.000) 2.965 12.597 ( -0.901 0.108 0.000) 0.907 12.908 ( 2.417 -2.990 0.000) 3.845 13.201 ( -8.413 -5.280 0.000) 9.932 15.259 ( 0.531 -20.404 0.000) 20.411 15.287 ( -0.734 -20.492 0.000) 20.506 15.316 ( 0.502 -20.765 0.000) 20.771 15.345 ( -1.489 -15.387 0.000) 15.459 16.927 ( 2.406 -0.836 0.000) 2.547 17.056 ( -2.376 -1.752 0.000) 2.952 18.274 ( 5.622 -3.394 0.000) 6.567 18.406 ( -0.391 14.318 0.000) 14.324 18.426 ( 0.777 11.224 0.000) 11.251 18.452 ( 0.812 18.089 0.000) 18.107 18.609 ( -9.832 22.354 0.000) 24.421 18.821 ( -12.409 -8.715 0.000) 15.163 19.373 ( 14.311 -3.178 0.000) 14.659 19.932 ( -8.385 -4.208 0.000) 9.381 20.532 ( 17.264 -27.235 0.000) 32.245 20.593 ( 4.195 -12.635 0.000) 13.314 ======================= Grid point 7 (6/72) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -18.205 9.703 0.000) 20.629 1.073 ( 18.205 9.703 0.000) 20.629 1.260 ( -17.074 18.470 0.000) 25.153 1.260 ( 17.074 18.470 0.000) 25.153 1.916 ( -20.045 16.998 0.000) 26.282 1.916 ( 20.045 16.998 0.000) 26.282 2.298 ( -7.295 -1.466 0.000) 7.441 2.298 ( 7.295 -1.466 0.000) 7.441 2.467 ( -7.410 7.571 0.000) 10.594 2.467 ( 7.410 7.571 0.000) 10.594 2.584 ( -5.468 3.203 0.000) 6.337 2.584 ( 5.468 3.203 0.000) 6.337 2.682 ( -0.149 10.978 0.000) 10.979 2.682 ( 0.149 10.978 0.000) 10.979 2.885 ( -1.459 23.622 0.000) 23.667 2.885 ( 1.459 23.622 0.000) 23.667 3.136 ( -3.631 15.963 0.000) 16.371 3.136 ( 3.631 15.963 0.000) 16.371 3.621 ( -5.711 -1.726 0.000) 5.966 3.621 ( 5.711 -1.726 0.000) 5.966 3.932 ( -11.597 -5.689 0.000) 12.918 3.932 ( 11.597 -5.689 0.000) 12.918 4.278 ( -2.765 5.394 0.000) 6.061 4.278 ( 2.765 5.394 0.000) 6.061 4.345 ( -3.584 5.664 0.000) 6.703 4.345 ( 3.584 5.664 0.000) 6.703 4.480 ( -10.660 7.213 0.000) 12.871 4.480 ( 10.660 7.213 0.000) 12.871 4.663 ( -0.128 -5.274 0.000) 5.276 4.663 ( 0.128 -5.274 0.000) 5.276 4.950 ( -2.691 -3.806 0.000) 4.662 4.950 ( 2.691 -3.806 0.000) 4.662 5.122 ( -7.496 -6.204 0.000) 9.730 5.122 ( 7.496 -6.204 0.000) 9.730 5.354 ( -4.814 -14.273 0.000) 15.063 5.354 ( 4.814 -14.273 0.000) 15.063 5.526 ( -0.059 -0.266 0.000) 0.272 5.526 ( 0.059 -0.266 0.000) 0.272 5.684 ( -2.724 5.031 0.000) 5.721 5.684 ( 2.724 5.031 0.000) 5.721 5.954 ( -3.943 1.087 0.000) 4.090 5.954 ( 3.943 1.087 0.000) 4.090 6.199 ( -3.261 -1.412 0.000) 3.554 6.199 ( 3.261 -1.412 0.000) 3.554 6.485 ( -1.794 -6.466 0.000) 6.710 6.485 ( 1.794 -6.466 0.000) 6.710 6.785 ( -6.837 -4.052 0.000) 7.947 6.785 ( 6.837 -4.052 0.000) 7.947 7.035 ( -0.668 -8.221 0.000) 8.248 7.035 ( 0.668 -8.221 0.000) 8.248 7.171 ( -0.274 -4.465 0.000) 4.474 7.171 ( 0.274 -4.465 0.000) 4.474 7.449 ( -3.646 16.346 0.000) 16.748 7.449 ( 3.646 16.346 0.000) 16.748 7.606 ( -2.663 13.046 0.000) 13.315 7.606 ( 2.663 13.046 0.000) 13.315 7.732 ( -2.113 7.145 0.000) 7.451 7.732 ( 2.113 7.145 0.000) 7.451 7.827 ( -2.929 4.638 0.000) 5.486 7.827 ( 2.929 4.638 0.000) 5.486 8.065 ( -0.597 12.678 0.000) 12.692 8.065 ( 0.597 12.678 0.000) 12.692 8.511 ( -2.814 4.572 0.000) 5.369 8.511 ( 2.814 4.572 0.000) 5.369 8.589 ( -6.410 -1.541 0.000) 6.592 8.589 ( 6.410 -1.541 0.000) 6.592 9.138 ( -2.588 5.817 0.000) 6.367 9.138 ( 2.588 5.817 0.000) 6.367 9.650 ( -8.079 -6.815 0.000) 10.569 9.650 ( 8.079 -6.815 0.000) 10.569 9.772 ( -2.106 5.182 0.000) 5.594 9.772 ( 2.106 5.182 0.000) 5.594 10.372 ( -2.211 19.853 0.000) 19.976 10.372 ( 2.211 19.853 0.000) 19.976 10.542 ( -2.044 3.121 0.000) 3.731 10.542 ( 2.044 3.121 0.000) 3.731 10.623 ( -2.985 2.949 0.000) 4.196 10.623 ( 2.985 2.949 0.000) 4.196 10.903 ( -9.200 27.625 0.000) 29.117 10.903 ( 9.200 27.625 0.000) 29.117 11.602 ( -3.385 2.547 0.000) 4.236 11.602 ( 3.385 2.547 0.000) 4.236 11.767 ( -5.771 3.506 0.000) 6.752 11.767 ( 5.771 3.506 0.000) 6.752 11.971 ( -4.437 -2.218 0.000) 4.960 11.971 ( 4.437 -2.218 0.000) 4.960 12.348 ( -1.215 -0.598 0.000) 1.354 12.348 ( 1.215 -0.598 0.000) 1.354 12.569 ( -2.270 -1.497 0.000) 2.719 12.569 ( 2.270 -1.497 0.000) 2.719 13.011 ( -8.276 -3.771 0.000) 9.095 13.011 ( 8.276 -3.771 0.000) 9.095 15.272 ( -0.718 -20.778 0.000) 20.791 15.272 ( 0.718 -20.778 0.000) 20.791 15.327 ( -0.578 -19.145 0.000) 19.154 15.327 ( 0.578 -19.145 0.000) 19.154 16.991 ( -3.657 -1.353 0.000) 3.900 16.991 ( 3.657 -1.353 0.000) 3.900 18.387 ( -2.427 10.372 0.000) 10.652 18.387 ( 2.427 10.372 0.000) 10.652 18.468 ( -0.547 14.234 0.000) 14.244 18.468 ( 0.547 14.234 0.000) 14.244 18.565 ( -8.673 3.023 0.000) 9.185 18.565 ( 8.673 3.023 0.000) 9.185 19.688 ( -15.239 -4.229 0.000) 15.815 19.688 ( 15.239 -4.229 0.000) 15.815 20.659 ( -0.788 -18.035 0.000) 18.053 20.659 ( 0.788 -18.035 0.000) 18.053 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.000 25.516 0.000) 25.516 0.993 ( 0.000 25.840 0.000) 25.840 1.719 ( 0.000 10.174 0.000) 10.174 1.912 ( 0.000 4.466 0.000) 4.466 2.007 ( 0.000 0.482 0.000) 0.482 2.063 ( 0.000 30.530 0.000) 30.530 2.121 ( 0.000 4.770 0.000) 4.770 2.400 ( 0.000 4.066 0.000) 4.066 2.459 ( 0.000 -7.176 0.000) 7.176 2.658 ( 0.000 6.942 0.000) 6.942 2.746 ( 0.000 1.833 0.000) 1.833 2.811 ( 0.000 -1.426 0.000) 1.426 2.820 ( 0.000 -6.178 0.000) 6.178 3.106 ( 0.000 25.679 0.000) 25.679 3.307 ( 0.000 13.534 0.000) 13.534 3.438 ( 0.000 18.519 0.000) 18.519 3.519 ( 0.000 19.921 0.000) 19.921 3.567 ( 0.000 20.118 0.000) 20.118 3.644 ( 0.000 14.455 0.000) 14.455 3.694 ( 0.000 14.064 0.000) 14.064 3.876 ( 0.000 -4.300 0.000) 4.300 3.961 ( 0.000 -2.263 0.000) 2.263 4.097 ( 0.000 -6.298 0.000) 6.298 4.198 ( 0.000 -7.955 0.000) 7.955 4.216 ( 0.000 -12.707 0.000) 12.707 4.368 ( 0.000 0.148 0.000) 0.148 4.393 ( 0.000 -1.646 0.000) 1.646 4.405 ( 0.000 8.578 0.000) 8.578 4.434 ( 0.000 -1.387 0.000) 1.387 4.743 ( 0.000 -11.648 0.000) 11.648 4.972 ( 0.000 -10.300 0.000) 10.300 5.060 ( 0.000 8.904 0.000) 8.904 5.174 ( 0.000 17.378 0.000) 17.378 5.177 ( 0.000 -2.657 0.000) 2.657 5.240 ( 0.000 18.145 0.000) 18.145 5.420 ( 0.000 -1.396 0.000) 1.396 5.555 ( 0.000 -0.349 0.000) 0.349 5.579 ( 0.000 7.222 0.000) 7.222 5.682 ( 0.000 2.109 0.000) 2.109 5.910 ( 0.000 2.185 0.000) 2.185 5.967 ( 0.000 -0.660 0.000) 0.660 6.030 ( 0.000 6.811 0.000) 6.811 6.137 ( 0.000 3.878 0.000) 3.878 6.216 ( 0.000 -1.697 0.000) 1.697 6.387 ( 0.000 6.229 0.000) 6.229 6.424 ( 0.000 -0.382 0.000) 0.382 6.517 ( 0.000 -3.939 0.000) 3.939 6.698 ( 0.000 -2.663 0.000) 2.663 6.884 ( 0.000 -4.463 0.000) 4.463 6.901 ( 0.000 -9.543 0.000) 9.543 6.990 ( 0.000 -7.360 0.000) 7.360 7.165 ( 0.000 -4.368 0.000) 4.368 7.532 ( 0.000 -3.630 0.000) 3.630 7.712 ( 0.000 0.559 0.000) 0.559 7.769 ( 0.000 16.988 0.000) 16.988 7.838 ( 0.000 19.920 0.000) 19.920 7.903 ( 0.000 18.395 0.000) 18.395 8.024 ( 0.000 12.754 0.000) 12.754 8.126 ( 0.000 15.079 0.000) 15.079 8.183 ( 0.000 3.727 0.000) 3.727 8.249 ( 0.000 15.306 0.000) 15.306 8.264 ( 0.000 4.290 0.000) 4.290 8.362 ( 0.000 9.281 0.000) 9.281 8.633 ( 0.000 7.739 0.000) 7.739 8.734 ( 0.000 8.209 0.000) 8.209 8.821 ( 0.000 17.175 0.000) 17.175 8.934 ( 0.000 -5.030 0.000) 5.030 9.128 ( 0.000 -11.807 0.000) 11.807 9.674 ( 0.000 14.142 0.000) 14.142 9.878 ( 0.000 7.214 0.000) 7.214 9.910 ( 0.000 11.776 0.000) 11.776 10.014 ( 0.000 17.892 0.000) 17.892 10.447 ( 0.000 -3.206 0.000) 3.206 10.533 ( 0.000 -0.933 0.000) 0.933 10.579 ( 0.000 -0.039 0.000) 0.039 10.680 ( 0.000 -0.812 0.000) 0.812 11.068 ( 0.000 38.770 0.000) 38.770 11.096 ( 0.000 40.851 0.000) 40.851 11.266 ( 0.000 16.379 0.000) 16.379 11.429 ( 0.000 0.921 0.000) 0.921 11.570 ( 0.000 -4.175 0.000) 4.175 11.623 ( 0.000 13.023 0.000) 13.023 11.630 ( 0.000 4.801 0.000) 4.801 11.782 ( 0.000 2.559 0.000) 2.559 11.940 ( 0.000 -3.792 0.000) 3.792 12.196 ( 0.000 0.492 0.000) 0.492 12.263 ( 0.000 -3.500 0.000) 3.500 12.464 ( 0.000 0.367 0.000) 0.367 12.530 ( 0.000 -3.507 0.000) 3.507 12.812 ( 0.000 -4.604 0.000) 4.604 12.957 ( 0.000 8.831 0.000) 8.831 13.134 ( 0.000 -7.641 0.000) 7.641 14.781 ( 0.000 -29.558 0.000) 29.558 14.785 ( 0.000 -26.617 0.000) 26.617 14.842 ( 0.000 -25.547 0.000) 25.547 15.128 ( 0.000 -15.250 0.000) 15.250 16.887 ( 0.000 -0.808 0.000) 0.808 17.035 ( 0.000 -2.614 0.000) 2.614 18.087 ( 0.000 -9.027 0.000) 9.027 18.591 ( 0.000 3.765 0.000) 3.765 18.656 ( 0.000 -16.538 0.000) 16.538 18.709 ( 0.000 13.400 0.000) 13.400 18.837 ( 0.000 17.115 0.000) 17.115 19.022 ( 0.000 9.874 0.000) 9.874 19.117 ( 0.000 -5.412 0.000) 5.412 19.929 ( 0.000 -4.753 0.000) 4.753 20.015 ( 0.000 -2.613 0.000) 2.613 20.260 ( 0.000 -16.818 0.000) 16.818 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 9.805 22.328 0.000) 24.386 1.186 ( 16.896 18.312 0.000) 24.916 1.588 ( -10.593 11.676 0.000) 15.765 1.761 ( -9.869 6.333 0.000) 11.726 2.115 ( 6.172 22.392 0.000) 23.227 2.137 ( 6.992 3.354 0.000) 7.755 2.219 ( 5.009 4.865 0.000) 6.983 2.386 ( -0.223 -0.607 0.000) 0.646 2.436 ( -2.939 -3.497 0.000) 4.567 2.599 ( -5.567 3.574 0.000) 6.615 2.670 ( -3.295 4.078 0.000) 5.243 2.767 ( -4.369 -1.042 0.000) 4.491 2.882 ( 5.221 5.071 0.000) 7.278 3.143 ( 1.455 23.739 0.000) 23.784 3.349 ( 1.357 10.116 0.000) 10.206 3.382 ( -10.049 14.487 0.000) 17.631 3.397 ( 0.583 22.358 0.000) 22.366 3.591 ( -4.416 17.902 0.000) 18.438 3.693 ( 8.054 16.277 0.000) 18.161 3.695 ( -0.014 14.484 0.000) 14.484 3.809 ( -3.899 0.072 0.000) 3.899 3.969 ( -0.942 -2.352 0.000) 2.533 4.175 ( 6.710 -9.001 0.000) 11.227 4.199 ( 1.067 -8.127 0.000) 8.197 4.252 ( 1.164 -16.337 0.000) 16.378 4.360 ( -2.108 1.549 0.000) 2.616 4.400 ( 3.152 -1.287 0.000) 3.405 4.461 ( 6.793 1.420 0.000) 6.940 4.514 ( 3.552 -1.367 0.000) 3.806 4.685 ( -5.089 -6.853 0.000) 8.536 4.959 ( -0.677 -8.503 0.000) 8.530 5.108 ( 3.690 5.385 0.000) 6.528 5.131 ( -5.699 -3.879 0.000) 6.894 5.170 ( -0.481 14.508 0.000) 14.516 5.233 ( -0.171 21.406 0.000) 21.407 5.328 ( -5.082 5.987 0.000) 7.853 5.520 ( -2.134 -2.903 0.000) 3.603 5.551 ( -2.502 4.670 0.000) 5.298 5.721 ( 2.606 4.545 0.000) 5.239 5.922 ( -7.725 8.774 0.000) 11.691 5.935 ( 2.590 3.213 0.000) 4.127 6.066 ( 7.463 -1.147 0.000) 7.551 6.089 ( -3.970 4.814 0.000) 6.240 6.242 ( 0.444 -0.914 0.000) 1.016 6.341 ( 0.321 -0.580 0.000) 0.663 6.459 ( -4.166 -2.727 0.000) 4.979 6.574 ( 8.583 0.353 0.000) 8.591 6.747 ( 2.586 -3.641 0.000) 4.466 6.867 ( -0.511 -6.562 0.000) 6.582 6.942 ( -4.080 -7.410 0.000) 8.459 6.958 ( 4.122 -8.334 0.000) 9.298 7.120 ( -3.791 -4.704 0.000) 6.042 7.542 ( 1.437 -2.907 0.000) 3.243 7.674 ( -3.486 0.197 0.000) 3.491 7.806 ( 2.796 15.740 0.000) 15.986 7.857 ( 1.767 17.011 0.000) 17.103 7.968 ( 5.923 19.061 0.000) 19.960 7.984 ( -3.076 11.915 0.000) 12.305 8.015 ( -7.047 15.187 0.000) 16.743 8.207 ( -3.590 13.803 0.000) 14.262 8.248 ( 5.176 6.609 0.000) 8.395 8.342 ( 2.853 10.795 0.000) 11.165 8.404 ( 4.075 7.754 0.000) 8.759 8.607 ( -2.929 7.030 0.000) 7.616 8.731 ( 0.304 9.129 0.000) 9.135 8.800 ( -1.918 15.600 0.000) 15.718 8.977 ( 3.921 -7.539 0.000) 8.497 9.115 ( -1.483 -10.537 0.000) 10.641 9.674 ( 0.810 12.988 0.000) 13.014 9.828 ( -4.461 7.953 0.000) 9.118 9.943 ( 2.565 12.609 0.000) 12.868 10.013 ( -0.369 16.927 0.000) 16.932 10.459 ( 1.075 -3.115 0.000) 3.295 10.511 ( -1.587 -1.232 0.000) 2.009 10.579 ( 0.117 0.141 0.000) 0.183 10.648 ( -2.763 0.204 0.000) 2.770 11.071 ( 0.279 36.810 0.000) 36.811 11.095 ( -0.275 39.049 0.000) 39.050 11.250 ( -0.500 15.885 0.000) 15.893 11.354 ( -5.266 4.587 0.000) 6.983 11.608 ( 2.115 -2.716 0.000) 3.442 11.626 ( 0.638 4.838 0.000) 4.880 11.759 ( 10.576 15.373 0.000) 18.659 11.824 ( 3.840 0.209 0.000) 3.846 11.932 ( -0.896 -3.656 0.000) 3.765 12.183 ( -2.334 4.250 0.000) 4.849 12.287 ( 2.140 -2.083 0.000) 2.986 12.472 ( -6.898 -1.735 0.000) 7.112 12.483 ( 2.266 -0.081 0.000) 2.267 12.735 ( -13.808 14.013 0.000) 19.673 12.831 ( 2.146 -4.332 0.000) 4.835 13.076 ( -6.844 -6.661 0.000) 9.550 14.778 ( -0.206 -29.031 0.000) 29.032 14.781 ( -0.307 -27.019 0.000) 27.020 14.857 ( 1.498 -24.965 0.000) 25.010 15.020 ( -7.405 -17.218 0.000) 18.743 16.908 ( 1.965 -1.058 0.000) 2.231 17.014 ( -2.041 -2.368 0.000) 3.127 18.141 ( 5.795 -9.339 0.000) 10.991 18.544 ( -9.719 -13.835 0.000) 16.908 18.634 ( 3.082 6.771 0.000) 7.439 18.709 ( -0.551 11.561 0.000) 11.574 18.849 ( 1.251 17.655 0.000) 17.699 18.949 ( -3.862 13.410 0.000) 13.955 19.289 ( 13.308 -5.009 0.000) 14.220 19.829 ( -9.342 -5.976 0.000) 11.090 20.150 ( 9.569 -13.051 0.000) 16.183 20.288 ( 1.739 -17.104 0.000) 17.192 ======================= Grid point 12 (9/72) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -11.895 15.964 0.000) 19.908 1.334 ( 11.895 15.964 0.000) 19.908 1.529 ( -13.418 11.392 0.000) 17.602 1.529 ( 13.418 11.392 0.000) 17.602 2.232 ( -1.992 8.464 0.000) 8.695 2.232 ( 1.992 8.464 0.000) 8.695 2.289 ( -8.587 2.051 0.000) 8.828 2.289 ( 8.587 2.051 0.000) 8.828 2.472 ( -6.264 -1.260 0.000) 6.389 2.472 ( 6.264 -1.260 0.000) 6.389 2.678 ( -3.703 4.918 0.000) 6.156 2.678 ( 3.703 4.918 0.000) 6.156 3.034 ( -9.709 18.010 0.000) 20.460 3.034 ( 9.709 18.010 0.000) 20.460 3.315 ( -2.122 11.334 0.000) 11.531 3.315 ( 2.122 11.334 0.000) 11.531 3.487 ( -5.581 19.469 0.000) 20.253 3.487 ( 5.581 19.469 0.000) 20.253 3.712 ( -1.999 12.370 0.000) 12.530 3.712 ( 1.999 12.370 0.000) 12.530 3.887 ( -6.878 1.797 0.000) 7.109 3.887 ( 6.878 1.797 0.000) 7.109 4.239 ( -2.011 -11.427 0.000) 11.602 4.239 ( 2.011 -11.427 0.000) 11.602 4.300 ( -4.543 -6.968 0.000) 8.318 4.300 ( 4.543 -6.968 0.000) 8.318 4.489 ( -5.261 -6.179 0.000) 8.115 4.489 ( 5.261 -6.179 0.000) 8.115 4.597 ( -4.549 2.453 0.000) 5.168 4.597 ( 4.549 2.453 0.000) 5.168 4.990 ( -5.163 -7.568 0.000) 9.161 4.990 ( 5.163 -7.568 0.000) 9.161 5.158 ( -0.965 9.533 0.000) 9.582 5.158 ( 0.965 9.533 0.000) 9.582 5.261 ( -2.743 17.905 0.000) 18.114 5.261 ( 2.743 17.905 0.000) 18.114 5.505 ( -1.186 -1.330 0.000) 1.782 5.505 ( 1.186 -1.330 0.000) 1.782 5.791 ( -4.874 7.299 0.000) 8.777 5.791 ( 4.874 7.299 0.000) 8.777 6.004 ( -4.090 4.165 0.000) 5.837 6.004 ( 4.090 4.165 0.000) 5.837 6.198 ( -4.809 -0.362 0.000) 4.822 6.198 ( 4.809 -0.362 0.000) 4.822 6.382 ( -3.256 -2.117 0.000) 3.884 6.382 ( 3.256 -2.117 0.000) 3.884 6.724 ( -5.456 -2.203 0.000) 5.883 6.724 ( 5.456 -2.203 0.000) 5.883 6.876 ( -1.626 -8.049 0.000) 8.212 6.876 ( 1.626 -8.049 0.000) 8.212 7.041 ( -3.934 -6.601 0.000) 7.684 7.041 ( 3.934 -6.601 0.000) 7.684 7.595 ( -3.729 -1.861 0.000) 4.168 7.595 ( 3.729 -1.861 0.000) 4.168 7.876 ( -3.265 14.854 0.000) 15.209 7.876 ( 3.265 14.854 0.000) 15.209 7.923 ( -1.386 15.432 0.000) 15.494 7.923 ( 1.386 15.432 0.000) 15.494 8.104 ( -6.530 16.296 0.000) 17.556 8.104 ( 6.530 16.296 0.000) 17.556 8.337 ( -2.900 11.470 0.000) 11.831 8.337 ( 2.900 11.470 0.000) 11.831 8.513 ( -5.950 5.287 0.000) 7.960 8.513 ( 5.950 5.287 0.000) 7.960 8.757 ( -2.037 12.330 0.000) 12.497 8.757 ( 2.037 12.330 0.000) 12.497 9.062 ( -3.776 -9.376 0.000) 10.108 9.062 ( 3.776 -9.376 0.000) 10.108 9.729 ( -4.536 10.325 0.000) 11.278 9.729 ( 4.536 10.325 0.000) 11.278 9.991 ( -1.903 14.642 0.000) 14.766 9.991 ( 1.903 14.642 0.000) 14.766 10.484 ( -1.267 -2.547 0.000) 2.845 10.484 ( 1.267 -2.547 0.000) 2.845 10.596 ( -1.847 0.957 0.000) 2.080 10.596 ( 1.847 0.957 0.000) 2.080 11.083 ( -0.840 35.833 0.000) 35.842 11.083 ( 0.840 35.833 0.000) 35.842 11.270 ( -2.657 12.555 0.000) 12.833 11.270 ( 2.657 12.555 0.000) 12.833 11.632 ( -0.305 0.445 0.000) 0.539 11.632 ( 0.305 0.445 0.000) 0.539 11.895 ( -3.009 -1.204 0.000) 3.241 11.895 ( 3.009 -1.204 0.000) 3.241 12.019 ( -13.404 16.222 0.000) 21.043 12.019 ( 13.404 16.222 0.000) 21.043 12.337 ( -3.437 -0.063 0.000) 3.437 12.337 ( 3.437 -0.063 0.000) 3.437 12.563 ( -5.475 2.806 0.000) 6.152 12.563 ( 5.475 2.806 0.000) 6.152 12.918 ( -6.935 -4.761 0.000) 8.413 12.918 ( 6.935 -4.761 0.000) 8.413 14.776 ( -0.073 -27.992 0.000) 27.992 14.776 ( 0.073 -27.992 0.000) 27.992 14.907 ( -3.767 -22.275 0.000) 22.591 14.907 ( 3.767 -22.275 0.000) 22.591 16.960 ( -3.007 -1.710 0.000) 3.459 16.960 ( 3.007 -1.710 0.000) 3.459 18.319 ( -11.254 -11.296 0.000) 15.945 18.319 ( 11.254 -11.296 0.000) 15.945 18.685 ( -1.868 10.467 0.000) 10.633 18.685 ( 1.868 10.467 0.000) 10.633 18.886 ( -2.440 17.064 0.000) 17.238 18.886 ( 2.440 17.064 0.000) 17.238 19.582 ( -14.534 -6.277 0.000) 15.831 19.582 ( 14.534 -6.277 0.000) 15.831 20.284 ( -3.043 -18.147 0.000) 18.401 20.284 ( 3.043 -18.147 0.000) 18.401 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 21.170 0.000) 21.170 1.468 ( 0.000 24.167 0.000) 24.167 1.937 ( 0.000 11.281 0.000) 11.281 1.967 ( 0.000 2.050 0.000) 2.050 2.046 ( 0.000 4.172 0.000) 4.172 2.232 ( 0.000 -15.446 0.000) 15.446 2.238 ( 0.000 6.729 0.000) 6.729 2.285 ( 0.000 -2.404 0.000) 2.404 2.487 ( 0.000 4.497 0.000) 4.497 2.624 ( 0.000 -15.819 0.000) 15.819 2.731 ( 0.000 -3.083 0.000) 3.083 2.765 ( 0.000 3.720 0.000) 3.720 3.055 ( 0.000 24.988 0.000) 24.988 3.415 ( 0.000 -7.410 0.000) 7.410 3.496 ( 0.000 10.135 0.000) 10.135 3.568 ( 0.000 -8.563 0.000) 8.563 3.720 ( 0.000 9.349 0.000) 9.349 3.725 ( 0.000 -2.660 0.000) 2.660 3.779 ( 0.000 4.400 0.000) 4.400 3.831 ( 0.000 -22.005 0.000) 22.005 3.840 ( 0.000 6.367 0.000) 6.367 3.894 ( 0.000 2.454 0.000) 2.454 3.958 ( 0.000 -10.029 0.000) 10.029 4.075 ( 0.000 0.804 0.000) 0.804 4.094 ( 0.000 4.338 0.000) 4.338 4.441 ( 0.000 3.681 0.000) 3.681 4.504 ( 0.000 6.375 0.000) 6.375 4.582 ( 0.000 10.611 0.000) 10.611 4.605 ( 0.000 22.473 0.000) 22.473 4.742 ( 0.000 13.234 0.000) 13.234 4.811 ( 0.000 -2.639 0.000) 2.639 5.087 ( 0.000 -8.182 0.000) 8.182 5.111 ( 0.000 -2.615 0.000) 2.615 5.384 ( 0.000 -3.769 0.000) 3.769 5.401 ( 0.000 1.625 0.000) 1.625 5.486 ( 0.000 6.446 0.000) 6.446 5.654 ( 0.000 9.232 0.000) 9.232 5.807 ( 0.000 10.665 0.000) 10.665 5.895 ( 0.000 20.829 0.000) 20.829 5.968 ( 0.000 0.825 0.000) 0.825 6.021 ( 0.000 11.400 0.000) 11.400 6.092 ( 0.000 2.702 0.000) 2.702 6.137 ( 0.000 -4.122 0.000) 4.122 6.257 ( 0.000 9.055 0.000) 9.055 6.446 ( 0.000 -2.325 0.000) 2.325 6.545 ( 0.000 8.920 0.000) 8.920 6.636 ( 0.000 17.464 0.000) 17.464 6.691 ( 0.000 1.327 0.000) 1.327 6.742 ( 0.000 -6.498 0.000) 6.498 6.814 ( 0.000 -9.134 0.000) 9.134 6.833 ( 0.000 -0.654 0.000) 0.654 7.084 ( 0.000 -3.347 0.000) 3.347 7.525 ( 0.000 3.446 0.000) 3.446 7.701 ( 0.000 -0.833 0.000) 0.833 8.004 ( 0.000 3.093 0.000) 3.093 8.165 ( 0.000 7.029 0.000) 7.029 8.211 ( 0.000 1.618 0.000) 1.618 8.238 ( 0.000 12.137 0.000) 12.137 8.287 ( 0.000 12.372 0.000) 12.372 8.355 ( 0.000 20.742 0.000) 20.742 8.378 ( 0.000 10.767 0.000) 10.767 8.610 ( 0.000 20.026 0.000) 20.026 8.639 ( 0.000 15.733 0.000) 15.733 8.715 ( 0.000 -3.902 0.000) 3.902 8.891 ( 0.000 -10.359 0.000) 10.359 8.939 ( 0.000 12.372 0.000) 12.372 9.046 ( 0.000 17.894 0.000) 17.894 9.152 ( 0.000 16.490 0.000) 16.490 9.909 ( 0.000 10.389 0.000) 10.389 10.032 ( 0.000 7.715 0.000) 7.715 10.099 ( 0.000 5.451 0.000) 5.451 10.359 ( 0.000 15.085 0.000) 15.085 10.373 ( 0.000 -4.162 0.000) 4.162 10.499 ( 0.000 -1.996 0.000) 1.996 10.573 ( 0.000 -0.521 0.000) 0.521 10.719 ( 0.000 5.589 0.000) 5.589 11.292 ( 0.000 -4.667 0.000) 4.667 11.327 ( 0.000 -2.969 0.000) 2.969 11.434 ( 0.000 0.591 0.000) 0.591 11.476 ( 0.000 -5.276 0.000) 5.276 11.755 ( 0.000 1.259 0.000) 1.259 11.865 ( 0.000 -3.585 0.000) 3.585 11.991 ( 0.000 19.456 0.000) 19.456 12.044 ( 0.000 8.467 0.000) 8.467 12.076 ( 0.000 11.844 0.000) 11.844 12.309 ( 0.000 26.023 0.000) 26.023 12.374 ( 0.000 33.345 0.000) 33.345 12.452 ( 0.000 -4.340 0.000) 4.340 12.730 ( 0.000 33.357 0.000) 33.357 12.766 ( 0.000 7.361 0.000) 7.361 12.994 ( 0.000 -3.486 0.000) 3.486 13.180 ( 0.000 13.233 0.000) 13.233 14.208 ( 0.000 -28.045 0.000) 28.045 14.267 ( 0.000 -25.246 0.000) 25.246 14.361 ( 0.000 -21.691 0.000) 21.691 14.846 ( 0.000 -11.139 0.000) 11.139 16.875 ( 0.000 -0.328 0.000) 0.328 16.986 ( 0.000 -2.212 0.000) 2.212 17.884 ( 0.000 -11.395 0.000) 11.395 18.279 ( 0.000 -20.115 0.000) 20.115 18.596 ( 0.000 -1.809 0.000) 1.809 18.882 ( 0.000 4.043 0.000) 4.043 18.998 ( 0.000 -6.563 0.000) 6.563 19.118 ( 0.000 9.538 0.000) 9.538 19.215 ( 0.000 7.599 0.000) 7.599 19.835 ( 0.000 -5.181 0.000) 5.181 19.913 ( 0.000 -8.285 0.000) 8.285 19.922 ( 0.000 -16.910 0.000) 16.910 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.25 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 5.213 19.070 0.000) 19.770 1.566 ( 8.580 19.858 0.000) 21.632 1.827 ( -8.255 11.680 0.000) 14.303 1.881 ( -5.214 6.839 0.000) 8.599 2.182 ( 9.437 1.866 0.000) 9.619 2.225 ( -0.440 -13.613 0.000) 13.620 2.264 ( -0.878 0.681 0.000) 1.111 2.298 ( 2.202 -0.081 0.000) 2.204 2.445 ( -3.125 1.905 0.000) 3.660 2.613 ( -3.082 -9.668 0.000) 10.148 2.711 ( -2.539 4.790 0.000) 5.421 2.753 ( 1.194 0.520 0.000) 1.302 3.113 ( 6.532 18.929 0.000) 20.024 3.442 ( 0.843 -5.714 0.000) 5.776 3.460 ( -4.279 0.014 0.000) 4.279 3.509 ( -4.688 4.719 0.000) 6.652 3.681 ( 1.150 6.756 0.000) 6.853 3.767 ( -1.772 2.574 0.000) 3.125 3.797 ( -0.284 -8.302 0.000) 8.307 3.847 ( 6.535 -1.330 0.000) 6.669 3.868 ( -2.220 0.007 0.000) 2.220 3.899 ( 3.014 -6.363 0.000) 7.041 3.952 ( -0.200 -4.785 0.000) 4.789 4.025 ( -3.611 -3.925 0.000) 5.333 4.119 ( 3.123 3.558 0.000) 4.734 4.412 ( -4.412 5.624 0.000) 7.148 4.493 ( -0.300 8.809 0.000) 8.814 4.542 ( -2.800 7.386 0.000) 7.899 4.667 ( 4.767 16.650 0.000) 17.319 4.747 ( 0.030 10.907 0.000) 10.907 4.806 ( -0.085 -2.301 0.000) 2.302 4.979 ( -7.804 -6.140 0.000) 9.930 5.153 ( 4.007 -2.146 0.000) 4.545 5.359 ( -3.438 -3.235 0.000) 4.721 5.426 ( 2.539 2.086 0.000) 3.286 5.489 ( 0.127 4.475 0.000) 4.477 5.662 ( 0.290 12.388 0.000) 12.392 5.748 ( -4.405 10.463 0.000) 11.352 5.943 ( 4.341 18.459 0.000) 18.962 6.047 ( 3.967 8.789 0.000) 9.643 6.062 ( 6.805 5.170 0.000) 8.546 6.079 ( -1.437 5.879 0.000) 6.052 6.179 ( 1.231 4.698 0.000) 4.857 6.264 ( 1.023 4.798 0.000) 4.905 6.438 ( -0.810 0.370 0.000) 0.890 6.471 ( -5.453 13.448 0.000) 14.512 6.654 ( 1.812 7.646 0.000) 7.858 6.711 ( 1.494 -0.392 0.000) 1.544 6.752 ( -1.596 -4.381 0.000) 4.663 6.774 ( -3.533 -8.194 0.000) 8.923 6.847 ( 3.646 -3.158 0.000) 4.824 7.041 ( -3.966 -3.009 0.000) 4.978 7.526 ( 0.661 2.404 0.000) 2.493 7.660 ( -3.860 -0.556 0.000) 3.900 8.021 ( 1.559 3.111 0.000) 3.480 8.138 ( -4.738 6.288 0.000) 7.873 8.165 ( 0.006 6.617 0.000) 6.617 8.212 ( -2.074 7.401 0.000) 7.686 8.333 ( 3.321 16.043 0.000) 16.383 8.408 ( 5.765 15.749 0.000) 16.771 8.428 ( 1.552 12.740 0.000) 12.834 8.614 ( -0.554 17.893 0.000) 17.902 8.686 ( 4.323 16.933 0.000) 17.476 8.717 ( 1.287 -5.120 0.000) 5.279 8.871 ( -2.050 -9.144 0.000) 9.371 8.914 ( -3.074 13.549 0.000) 13.893 9.053 ( 1.163 16.340 0.000) 16.381 9.139 ( -1.424 15.524 0.000) 15.589 9.900 ( -0.003 10.068 0.000) 10.068 9.997 ( -3.151 8.368 0.000) 8.942 10.148 ( 4.144 6.567 0.000) 7.765 10.327 ( -3.113 12.224 0.000) 12.614 10.384 ( 1.071 -4.353 0.000) 4.482 10.468 ( -2.736 -2.552 0.000) 3.741 10.596 ( 2.227 2.323 0.000) 3.218 10.697 ( -1.946 5.841 0.000) 6.157 11.273 ( -1.428 -3.040 0.000) 3.358 11.281 ( -2.485 -1.341 0.000) 2.824 11.492 ( 3.133 -1.247 0.000) 3.372 11.497 ( 1.594 -5.063 0.000) 5.308 11.769 ( 1.339 1.047 0.000) 1.700 11.846 ( -1.680 -1.697 0.000) 2.388 12.010 ( 1.547 18.591 0.000) 18.655 12.049 ( 0.073 12.152 0.000) 12.152 12.116 ( 4.359 8.353 0.000) 9.422 12.356 ( -3.255 13.684 0.000) 14.066 12.398 ( 8.261 25.266 0.000) 26.582 12.448 ( 1.089 14.830 0.000) 14.870 12.634 ( -5.007 16.866 0.000) 17.594 12.873 ( 6.324 20.690 0.000) 21.635 12.888 ( -9.766 -0.216 0.000) 9.768 13.128 ( -4.866 16.047 0.000) 16.768 14.213 ( 0.553 -27.701 0.000) 27.707 14.254 ( -1.115 -25.795 0.000) 25.819 14.395 ( 3.541 -20.224 0.000) 20.532 14.715 ( -10.694 -11.703 0.000) 15.854 16.891 ( 1.481 -0.582 0.000) 1.591 16.970 ( -1.540 -1.957 0.000) 2.491 17.928 ( 4.525 -12.035 0.000) 12.858 18.211 ( -6.305 -18.280 0.000) 19.337 18.675 ( 6.345 -1.301 0.000) 6.477 18.862 ( -2.048 3.196 0.000) 3.796 19.087 ( 6.064 -2.604 0.000) 6.600 19.125 ( 0.625 9.191 0.000) 9.212 19.245 ( 4.647 3.111 0.000) 5.592 19.696 ( -10.645 -8.227 0.000) 13.453 19.938 ( 2.217 -10.532 0.000) 10.763 19.974 ( 1.969 -14.173 0.000) 14.309 ======================= Grid point 17 (12/72) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -7.378 15.356 0.000) 17.036 1.654 ( 7.378 15.356 0.000) 17.036 1.754 ( -7.633 11.735 0.000) 13.999 1.754 ( 7.633 11.735 0.000) 13.999 2.231 ( -1.380 -7.199 0.000) 7.330 2.231 ( 1.380 -7.199 0.000) 7.330 2.327 ( -0.849 1.189 0.000) 1.461 2.327 ( 0.849 1.189 0.000) 1.461 2.454 ( -7.824 -1.005 0.000) 7.888 2.454 ( 7.824 -1.005 0.000) 7.888 2.744 ( -2.390 3.107 0.000) 3.920 2.744 ( 2.390 3.107 0.000) 3.920 3.295 ( -10.399 9.251 0.000) 13.919 3.295 ( 10.399 9.251 0.000) 13.919 3.452 ( -1.167 -0.685 0.000) 1.353 3.452 ( 1.167 -0.685 0.000) 1.353 3.719 ( -2.211 2.534 0.000) 3.363 3.719 ( 2.211 2.534 0.000) 3.363 3.825 ( -2.236 -2.793 0.000) 3.578 3.825 ( 2.236 -2.793 0.000) 3.578 3.937 ( -1.859 -2.230 0.000) 2.903 3.937 ( 1.859 -2.230 0.000) 2.903 3.958 ( -3.142 -6.519 0.000) 7.237 3.958 ( 3.142 -6.519 0.000) 7.237 4.251 ( -9.556 3.407 0.000) 10.145 4.251 ( 9.556 3.407 0.000) 10.145 4.503 ( -1.220 7.455 0.000) 7.555 4.503 ( 1.220 7.455 0.000) 7.555 4.737 ( -1.329 8.102 0.000) 8.210 4.737 ( 1.329 8.102 0.000) 8.210 4.846 ( -4.859 0.309 0.000) 4.868 4.846 ( 4.859 0.309 0.000) 4.868 5.258 ( -5.877 -1.424 0.000) 6.047 5.258 ( 5.877 -1.424 0.000) 6.047 5.477 ( -1.768 0.376 0.000) 1.808 5.477 ( 1.768 0.376 0.000) 1.808 5.677 ( -1.990 14.020 0.000) 14.161 5.677 ( 1.990 14.020 0.000) 14.161 6.031 ( -3.521 12.352 0.000) 12.844 6.031 ( 3.521 12.352 0.000) 12.844 6.132 ( -4.648 9.821 0.000) 10.865 6.132 ( 4.648 9.821 0.000) 10.865 6.222 ( -6.771 9.634 0.000) 11.775 6.222 ( 6.771 9.634 0.000) 11.775 6.418 ( -0.683 4.321 0.000) 4.375 6.418 ( 0.683 4.321 0.000) 4.375 6.701 ( -3.030 -1.827 0.000) 3.538 6.701 ( 3.030 -1.827 0.000) 3.538 6.729 ( -0.298 -4.520 0.000) 4.529 6.729 ( 0.298 -4.520 0.000) 4.529 6.944 ( -5.244 -2.955 0.000) 6.019 6.944 ( 5.244 -2.955 0.000) 6.019 7.572 ( -3.946 0.563 0.000) 3.986 7.572 ( 3.946 0.563 0.000) 3.986 8.063 ( -2.726 4.119 0.000) 4.939 8.063 ( 2.726 4.119 0.000) 4.939 8.174 ( -1.250 7.586 0.000) 7.689 8.174 ( 1.250 7.586 0.000) 7.689 8.403 ( -3.219 15.826 0.000) 16.150 8.403 ( 3.219 15.826 0.000) 16.150 8.542 ( -6.171 12.979 0.000) 14.371 8.542 ( 6.171 12.979 0.000) 14.371 8.768 ( -0.008 8.560 0.000) 8.560 8.768 ( 0.008 8.560 0.000) 8.560 8.833 ( -1.781 1.961 0.000) 2.650 8.833 ( 1.781 1.961 0.000) 2.650 9.096 ( -2.633 14.831 0.000) 15.063 9.096 ( 2.633 14.831 0.000) 15.063 9.930 ( -2.882 9.526 0.000) 9.953 9.930 ( 2.882 9.526 0.000) 9.953 10.243 ( -4.891 8.931 0.000) 10.183 10.243 ( 4.891 8.931 0.000) 10.183 10.416 ( -2.120 -4.134 0.000) 4.646 10.416 ( 2.120 -4.134 0.000) 4.646 10.649 ( -2.749 5.435 0.000) 6.090 10.649 ( 2.749 5.435 0.000) 6.090 11.255 ( -0.057 -1.286 0.000) 1.287 11.255 ( 0.057 -1.286 0.000) 1.287 11.520 ( -0.241 -3.290 0.000) 3.299 11.520 ( 0.241 -3.290 0.000) 3.299 11.806 ( -2.133 0.266 0.000) 2.150 11.806 ( 2.133 0.266 0.000) 2.150 12.039 ( -1.077 17.203 0.000) 17.237 12.039 ( 1.077 17.203 0.000) 17.237 12.240 ( -7.129 2.547 0.000) 7.571 12.240 ( 7.129 2.547 0.000) 7.571 12.501 ( -2.668 32.990 0.000) 33.097 12.501 ( 2.668 32.990 0.000) 33.097 12.656 ( -11.105 0.480 0.000) 11.116 12.656 ( 11.105 0.480 0.000) 11.116 13.005 ( -6.773 20.760 0.000) 21.836 13.005 ( 6.773 20.760 0.000) 21.836 14.230 ( -1.087 -26.845 0.000) 26.867 14.230 ( 1.087 -26.845 0.000) 26.867 14.512 ( -8.300 -15.926 0.000) 17.960 14.512 ( 8.300 -15.926 0.000) 17.960 16.930 ( -2.246 -1.255 0.000) 2.572 16.930 ( 2.246 -1.255 0.000) 2.572 18.059 ( -7.937 -14.630 0.000) 16.644 18.059 ( 7.937 -14.630 0.000) 16.644 18.794 ( -4.843 0.969 0.000) 4.938 18.794 ( 4.843 0.969 0.000) 4.938 19.136 ( -0.042 7.455 0.000) 7.455 19.136 ( 0.042 7.455 0.000) 7.455 19.448 ( -13.151 -7.173 0.000) 14.980 19.448 ( 13.151 -7.173 0.000) 14.980 19.979 ( -1.274 -13.492 0.000) 13.552 19.979 ( 1.274 -13.492 0.000) 13.552 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 0.000 7.476 0.000) 7.476 1.888 ( 0.000 15.938 0.000) 15.938 1.889 ( 0.000 -16.921 0.000) 16.921 2.026 ( 0.000 2.703 0.000) 2.703 2.105 ( 0.000 0.753 0.000) 0.753 2.157 ( 0.000 -5.044 0.000) 5.044 2.205 ( 0.000 11.328 0.000) 11.328 2.266 ( 0.000 -14.180 0.000) 14.180 2.369 ( 0.000 2.821 0.000) 2.821 2.543 ( 0.000 0.838 0.000) 0.838 2.675 ( 0.000 -3.214 0.000) 3.214 2.862 ( 0.000 5.766 0.000) 5.766 3.109 ( 0.000 -18.000 0.000) 18.000 3.330 ( 0.000 -6.258 0.000) 6.258 3.341 ( 0.000 -15.181 0.000) 15.181 3.550 ( 0.000 13.662 0.000) 13.662 3.594 ( 0.000 -21.333 0.000) 21.333 3.616 ( 0.000 -12.873 0.000) 12.873 3.664 ( 0.000 -1.808 0.000) 1.808 3.742 ( 0.000 7.417 0.000) 7.417 3.857 ( 0.000 4.526 0.000) 4.526 3.934 ( 0.000 -0.188 0.000) 0.188 4.048 ( 0.000 8.566 0.000) 8.566 4.218 ( 0.000 9.960 0.000) 9.960 4.254 ( 0.000 13.680 0.000) 13.680 4.470 ( 0.000 -5.718 0.000) 5.718 4.582 ( 0.000 8.742 0.000) 8.742 4.703 ( 0.000 -3.636 0.000) 3.636 4.955 ( 0.000 -0.603 0.000) 0.603 4.972 ( 0.000 13.516 0.000) 13.516 4.993 ( 0.000 1.080 0.000) 1.080 5.042 ( 0.000 13.624 0.000) 13.624 5.087 ( 0.000 14.777 0.000) 14.777 5.291 ( 0.000 -5.208 0.000) 5.208 5.360 ( 0.000 -3.406 0.000) 3.406 5.523 ( 0.000 -1.307 0.000) 1.307 5.761 ( 0.000 2.515 0.000) 2.515 5.887 ( 0.000 -6.018 0.000) 6.018 5.902 ( 0.000 1.297 0.000) 1.297 6.057 ( 0.000 -3.292 0.000) 3.292 6.166 ( 0.000 4.845 0.000) 4.845 6.338 ( 0.000 11.911 0.000) 11.911 6.372 ( 0.000 20.106 0.000) 20.106 6.504 ( 0.000 7.270 0.000) 7.270 6.516 ( 0.000 15.515 0.000) 15.515 6.631 ( 0.000 -4.760 0.000) 4.760 6.664 ( 0.000 3.961 0.000) 3.961 6.762 ( 0.000 12.975 0.000) 12.975 6.786 ( 0.000 5.003 0.000) 5.003 6.795 ( 0.000 0.201 0.000) 0.201 7.001 ( 0.000 14.988 0.000) 14.988 7.045 ( 0.000 -0.329 0.000) 0.329 7.648 ( 0.000 8.527 0.000) 8.527 7.694 ( 0.000 0.250 0.000) 0.250 7.988 ( 0.000 -2.149 0.000) 2.149 8.106 ( 0.000 -5.809 0.000) 5.809 8.233 ( 0.000 0.482 0.000) 0.482 8.467 ( 0.000 0.566 0.000) 0.566 8.502 ( 0.000 1.807 0.000) 1.807 8.546 ( 0.000 6.079 0.000) 6.079 8.735 ( 0.000 11.590 0.000) 11.590 8.757 ( 0.000 19.797 0.000) 19.797 8.769 ( 0.000 6.762 0.000) 6.762 8.989 ( 0.000 18.122 0.000) 18.122 8.992 ( 0.000 16.494 0.000) 16.494 9.200 ( 0.000 14.005 0.000) 14.005 9.419 ( 0.000 18.081 0.000) 18.081 9.458 ( 0.000 14.511 0.000) 14.511 10.083 ( 0.000 6.572 0.000) 6.572 10.104 ( 0.000 -3.831 0.000) 3.831 10.146 ( 0.000 3.122 0.000) 3.122 10.305 ( 0.000 -1.426 0.000) 1.426 10.477 ( 0.000 0.490 0.000) 0.490 10.512 ( 0.000 -0.938 0.000) 0.938 10.623 ( 0.000 7.218 0.000) 7.218 10.861 ( 0.000 6.702 0.000) 6.702 11.180 ( 0.000 -6.437 0.000) 6.437 11.243 ( 0.000 -5.149 0.000) 5.149 11.367 ( 0.000 -5.882 0.000) 5.882 11.385 ( 0.000 -4.363 0.000) 4.363 11.785 ( 0.000 1.960 0.000) 1.960 11.811 ( 0.000 -1.604 0.000) 1.604 12.036 ( 0.000 -4.768 0.000) 4.768 12.055 ( 0.000 -2.911 0.000) 2.911 12.061 ( 0.000 -1.357 0.000) 1.357 12.366 ( 0.000 -4.323 0.000) 4.323 12.452 ( 0.000 -6.183 0.000) 6.183 12.670 ( 0.000 -7.013 0.000) 7.013 13.346 ( 0.000 9.310 0.000) 9.310 13.375 ( 0.000 3.134 0.000) 3.134 13.480 ( 0.000 16.173 0.000) 16.173 13.496 ( 0.000 24.591 0.000) 24.591 13.859 ( 0.000 23.355 0.000) 23.355 13.954 ( 0.000 15.464 0.000) 15.464 14.254 ( 0.000 25.251 0.000) 25.251 14.842 ( 0.000 14.940 0.000) 14.940 16.879 ( 0.000 0.863 0.000) 0.863 16.955 ( 0.000 -0.843 0.000) 0.843 17.657 ( 0.000 -11.537 0.000) 11.537 17.899 ( 0.000 -18.345 0.000) 18.345 18.547 ( 0.000 -3.095 0.000) 3.095 18.866 ( 0.000 -6.893 0.000) 6.893 18.880 ( 0.000 -3.629 0.000) 3.629 19.177 ( 0.000 -3.931 0.000) 3.931 19.270 ( 0.000 -2.453 0.000) 2.453 19.623 ( 0.000 -13.257 0.000) 13.257 19.679 ( 0.000 -15.774 0.000) 15.774 19.704 ( 0.000 -8.728 0.000) 8.728 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 1.325 2.754 0.000) 3.056 1.867 ( -2.161 1.417 0.000) 2.584 1.919 ( 2.417 -13.126 0.000) 13.347 2.007 ( -4.862 9.846 0.000) 10.981 2.034 ( 1.063 7.573 0.000) 7.647 2.156 ( -1.334 -2.046 0.000) 2.442 2.270 ( 5.776 7.060 0.000) 9.121 2.343 ( -0.083 -1.777 0.000) 1.779 2.396 ( 5.815 -9.177 0.000) 10.864 2.458 ( -4.791 -1.055 0.000) 4.905 2.771 ( 5.537 0.326 0.000) 5.546 2.824 ( -2.174 6.207 0.000) 6.577 3.184 ( 6.013 -13.470 0.000) 14.751 3.301 ( -2.677 -7.593 0.000) 8.051 3.320 ( -1.679 -11.957 0.000) 12.075 3.511 ( -7.851 -8.697 0.000) 11.717 3.515 ( -1.219 -0.257 0.000) 1.245 3.567 ( -2.192 -18.572 0.000) 18.701 3.724 ( 2.734 3.176 0.000) 4.191 3.766 ( 0.966 0.423 0.000) 1.055 3.883 ( 3.555 4.203 0.000) 5.505 3.961 ( 1.413 2.359 0.000) 2.750 4.080 ( 3.028 10.450 0.000) 10.880 4.192 ( -4.761 14.320 0.000) 15.091 4.203 ( -0.327 4.907 0.000) 4.918 4.511 ( 3.271 -2.272 0.000) 3.983 4.530 ( -8.113 2.891 0.000) 8.613 4.625 ( -4.241 -0.589 0.000) 4.282 4.899 ( -2.665 5.598 0.000) 6.200 4.912 ( -2.571 7.113 0.000) 7.563 5.038 ( -0.744 14.145 0.000) 14.164 5.042 ( -0.711 7.342 0.000) 7.376 5.109 ( 4.353 3.070 0.000) 5.327 5.244 ( -1.766 -2.770 0.000) 3.285 5.437 ( 3.612 -1.504 0.000) 3.913 5.514 ( -0.862 0.387 0.000) 0.945 5.771 ( 0.756 1.871 0.000) 2.018 5.831 ( -3.605 0.333 0.000) 3.620 5.992 ( 8.319 -2.957 0.000) 8.829 6.164 ( -0.304 4.572 0.000) 4.582 6.204 ( 9.960 -1.905 0.000) 10.141 6.344 ( 1.400 11.087 0.000) 11.175 6.428 ( 3.155 14.188 0.000) 14.535 6.474 ( -2.802 8.184 0.000) 8.650 6.515 ( 1.107 12.722 0.000) 12.770 6.630 ( 0.391 1.534 0.000) 1.583 6.667 ( 0.008 5.774 0.000) 5.774 6.757 ( -0.833 9.655 0.000) 9.691 6.791 ( 0.236 5.788 0.000) 5.793 6.803 ( -0.868 1.476 0.000) 1.713 6.930 ( -4.171 14.767 0.000) 15.345 7.014 ( -2.993 0.575 0.000) 3.048 7.627 ( -1.386 7.476 0.000) 7.604 7.668 ( -2.313 1.455 0.000) 2.733 8.017 ( 2.686 -1.418 0.000) 3.037 8.119 ( 0.068 -3.080 0.000) 3.080 8.230 ( 0.234 0.552 0.000) 0.599 8.375 ( -6.638 5.018 0.000) 8.321 8.531 ( 2.121 -2.219 0.000) 3.070 8.548 ( 0.144 -4.947 0.000) 4.949 8.723 ( -0.445 16.226 0.000) 16.232 8.744 ( 0.150 14.625 0.000) 14.626 8.848 ( 4.365 12.381 0.000) 13.128 8.977 ( -1.396 17.598 0.000) 17.654 9.030 ( 3.902 17.113 0.000) 17.552 9.198 ( -0.982 14.746 0.000) 14.779 9.399 ( -1.193 16.933 0.000) 16.975 9.441 ( -1.634 14.542 0.000) 14.634 10.057 ( 0.009 4.920 0.000) 4.920 10.126 ( -1.811 4.086 0.000) 4.469 10.193 ( 6.006 -1.179 0.000) 6.120 10.312 ( 0.841 -1.070 0.000) 1.361 10.409 ( -4.453 -1.521 0.000) 4.705 10.461 ( -4.992 1.824 0.000) 5.315 10.691 ( 4.881 6.019 0.000) 7.749 10.838 ( -2.078 6.448 0.000) 6.774 11.191 ( 0.624 -5.114 0.000) 5.152 11.220 ( -1.532 -4.312 0.000) 4.576 11.378 ( 1.225 -6.713 0.000) 6.824 11.409 ( 1.250 -5.973 0.000) 6.103 11.786 ( 0.179 1.422 0.000) 1.434 11.805 ( -0.554 -1.130 0.000) 1.259 12.056 ( 2.714 -3.136 0.000) 4.147 12.085 ( 1.916 -1.342 0.000) 2.339 12.113 ( 4.250 -3.416 0.000) 5.453 12.317 ( -4.551 -3.986 0.000) 6.050 12.454 ( 0.696 -7.112 0.000) 7.146 12.618 ( -4.841 -7.845 0.000) 9.219 13.351 ( 0.493 8.156 0.000) 8.171 13.372 ( -0.322 3.693 0.000) 3.707 13.482 ( 0.202 17.981 0.000) 17.982 13.493 ( -0.239 24.114 0.000) 24.115 13.864 ( 0.597 21.932 0.000) 21.941 13.930 ( -2.071 16.504 0.000) 16.634 14.320 ( 6.425 24.767 0.000) 25.587 14.728 ( -10.155 17.750 0.000) 20.450 16.890 ( 1.016 0.631 0.000) 1.196 16.944 ( -1.052 -0.606 0.000) 1.214 17.687 ( 3.019 -12.247 0.000) 12.613 17.860 ( -3.631 -17.145 0.000) 17.525 18.621 ( 6.429 -3.726 0.000) 7.431 18.850 ( -3.072 -3.819 0.000) 4.902 18.965 ( 8.946 -7.571 0.000) 11.720 19.178 ( -0.111 -4.187 0.000) 4.189 19.273 ( 0.536 -2.654 0.000) 2.707 19.509 ( -8.983 -9.882 0.000) 13.355 19.689 ( 0.994 -15.620 0.000) 15.652 19.727 ( 0.414 -12.265 0.000) 12.272 ======================= Grid point 22 (15/72) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -3.014 -4.969 0.000) 5.812 1.809 ( 3.014 -4.969 0.000) 5.812 1.955 ( -1.196 4.044 0.000) 4.217 1.955 ( 1.196 4.044 0.000) 4.217 2.088 ( -4.190 4.399 0.000) 6.075 2.088 ( 4.190 4.399 0.000) 6.075 2.359 ( -0.345 0.718 0.000) 0.797 2.359 ( 0.345 0.718 0.000) 0.797 2.419 ( -2.471 -3.556 0.000) 4.330 2.419 ( 2.471 -3.556 0.000) 4.330 2.822 ( -0.674 4.513 0.000) 4.563 2.822 ( 0.674 4.513 0.000) 4.563 3.257 ( -0.877 -12.399 0.000) 12.430 3.257 ( 0.877 -12.399 0.000) 12.430 3.359 ( -6.638 -6.541 0.000) 9.319 3.359 ( 6.638 -6.541 0.000) 9.319 3.524 ( -1.746 -11.594 0.000) 11.724 3.524 ( 1.746 -11.594 0.000) 11.724 3.759 ( -1.426 -0.194 0.000) 1.439 3.759 ( 1.426 -0.194 0.000) 1.439 3.956 ( -2.191 4.369 0.000) 4.888 3.956 ( 2.191 4.369 0.000) 4.888 4.126 ( -1.494 13.749 0.000) 13.830 4.126 ( 1.494 13.749 0.000) 13.830 4.302 ( -10.792 -0.862 0.000) 10.826 4.302 ( 10.792 -0.862 0.000) 10.826 4.572 ( -2.525 1.444 0.000) 2.908 4.572 ( 2.525 1.444 0.000) 2.908 4.880 ( -0.495 6.968 0.000) 6.986 4.880 ( 0.495 6.968 0.000) 6.986 5.025 ( -0.346 7.976 0.000) 7.984 5.025 ( 0.346 7.976 0.000) 7.984 5.198 ( -3.454 0.306 0.000) 3.467 5.198 ( 3.454 0.306 0.000) 3.467 5.488 ( -1.778 1.782 0.000) 2.517 5.488 ( 1.778 1.782 0.000) 2.517 5.786 ( -1.096 0.592 0.000) 1.246 5.786 ( 1.096 0.592 0.000) 1.246 6.128 ( -4.070 2.313 0.000) 4.681 6.128 ( 4.070 2.313 0.000) 4.681 6.371 ( -4.276 -0.968 0.000) 4.384 6.371 ( 4.276 -0.968 0.000) 4.384 6.411 ( -1.561 10.105 0.000) 10.225 6.411 ( 1.561 10.105 0.000) 10.225 6.638 ( -8.014 9.254 0.000) 12.242 6.638 ( 8.014 9.254 0.000) 12.242 6.655 ( -2.563 11.869 0.000) 12.142 6.655 ( 2.563 11.869 0.000) 12.142 6.787 ( -0.506 7.001 0.000) 7.019 6.787 ( 0.506 7.001 0.000) 7.019 6.942 ( -3.450 3.932 0.000) 5.231 6.942 ( 3.450 3.932 0.000) 5.231 7.623 ( -1.369 4.556 0.000) 4.757 7.623 ( 1.369 4.556 0.000) 4.757 8.082 ( -3.261 -0.472 0.000) 3.295 8.082 ( 3.261 -0.472 0.000) 3.295 8.266 ( -3.689 2.341 0.000) 4.369 8.266 ( 3.689 2.341 0.000) 4.369 8.555 ( -0.018 -8.159 0.000) 8.159 8.555 ( 0.018 -8.159 0.000) 8.159 8.733 ( -0.975 16.806 0.000) 16.834 8.733 ( 0.975 16.806 0.000) 16.834 8.927 ( -3.405 15.738 0.000) 16.102 8.927 ( 3.405 15.738 0.000) 16.102 9.132 ( -5.256 16.484 0.000) 17.302 9.132 ( 5.256 16.484 0.000) 17.302 9.404 ( -1.595 15.081 0.000) 15.166 9.404 ( 1.595 15.081 0.000) 15.166 10.083 ( -2.170 5.540 0.000) 5.950 10.083 ( 2.170 5.540 0.000) 5.950 10.321 ( -5.677 -3.915 0.000) 6.896 10.321 ( 5.677 -3.915 0.000) 6.896 10.351 ( -3.905 2.775 0.000) 4.791 10.351 ( 3.905 2.775 0.000) 4.791 10.781 ( -3.726 6.203 0.000) 7.236 10.781 ( 3.726 6.203 0.000) 7.236 11.199 ( -0.514 -4.031 0.000) 4.064 11.199 ( 0.514 -4.031 0.000) 4.064 11.408 ( -1.240 -7.200 0.000) 7.306 11.408 ( 1.240 -7.200 0.000) 7.306 11.793 ( -0.536 0.108 0.000) 0.546 11.793 ( 0.536 0.108 0.000) 0.546 12.107 ( -0.712 -1.721 0.000) 1.863 12.107 ( 0.712 -1.721 0.000) 1.863 12.208 ( -5.495 -3.281 0.000) 6.400 12.208 ( 5.495 -3.281 0.000) 6.400 12.508 ( -4.939 -8.583 0.000) 9.902 12.508 ( 4.939 -8.583 0.000) 9.902 13.363 ( -0.575 5.628 0.000) 5.658 13.363 ( 0.575 5.628 0.000) 5.658 13.488 ( -0.308 21.712 0.000) 21.715 13.488 ( 0.308 21.712 0.000) 21.715 13.888 ( -1.770 19.032 0.000) 19.114 13.888 ( 1.770 19.032 0.000) 19.114 14.501 ( -11.103 22.337 0.000) 24.944 14.501 ( 11.103 22.337 0.000) 24.944 16.917 ( -1.516 0.025 0.000) 1.516 16.917 ( 1.516 0.025 0.000) 1.516 17.770 ( -4.847 -14.474 0.000) 15.264 17.770 ( 4.847 -14.474 0.000) 15.264 18.757 ( -6.148 -4.111 0.000) 7.396 18.757 ( 6.148 -4.111 0.000) 7.396 19.140 ( -5.496 -6.559 0.000) 8.557 19.140 ( 5.496 -6.559 0.000) 8.557 19.328 ( -6.674 -5.442 0.000) 8.612 19.328 ( 6.674 -5.442 0.000) 8.612 19.714 ( -1.294 -14.660 0.000) 14.717 19.714 ( 1.294 -14.660 0.000) 14.717 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.000 -10.992 0.000) 10.992 1.789 ( 0.000 -16.056 0.000) 16.056 1.805 ( 0.000 -0.545 0.000) 0.545 1.908 ( 0.000 -11.917 0.000) 11.917 2.086 ( 0.000 2.059 0.000) 2.059 2.142 ( 0.000 -5.443 0.000) 5.443 2.282 ( 0.000 -6.387 0.000) 6.387 2.292 ( 0.000 -5.981 0.000) 5.981 2.364 ( 0.000 8.625 0.000) 8.625 2.603 ( 0.000 -3.596 0.000) 3.596 2.649 ( 0.000 12.337 0.000) 12.337 2.874 ( 0.000 -7.806 0.000) 7.806 2.897 ( 0.000 -0.647 0.000) 0.647 3.144 ( 0.000 2.855 0.000) 2.855 3.145 ( 0.000 -19.732 0.000) 19.732 3.365 ( 0.000 5.726 0.000) 5.726 3.384 ( 0.000 -10.202 0.000) 10.202 3.651 ( 0.000 0.347 0.000) 0.347 3.773 ( 0.000 3.490 0.000) 3.490 3.869 ( 0.000 5.580 0.000) 5.580 3.915 ( 0.000 -1.431 0.000) 1.431 3.934 ( 0.000 4.616 0.000) 4.616 4.144 ( 0.000 2.339 0.000) 2.339 4.417 ( 0.000 1.647 0.000) 1.647 4.439 ( 0.000 10.283 0.000) 10.283 4.502 ( 0.000 -11.830 0.000) 11.830 4.517 ( 0.000 11.377 0.000) 11.377 4.731 ( 0.000 5.817 0.000) 5.817 4.922 ( 0.000 -2.851 0.000) 2.851 5.001 ( 0.000 1.995 0.000) 1.995 5.168 ( 0.000 4.424 0.000) 4.424 5.192 ( 0.000 -4.642 0.000) 4.642 5.194 ( 0.000 1.249 0.000) 1.249 5.308 ( 0.000 -2.255 0.000) 2.255 5.404 ( 0.000 12.575 0.000) 12.575 5.492 ( 0.000 -0.364 0.000) 0.364 5.782 ( 0.000 -2.710 0.000) 2.710 5.804 ( 0.000 2.268 0.000) 2.268 5.918 ( 0.000 0.958 0.000) 0.958 6.017 ( 0.000 -0.923 0.000) 0.923 6.279 ( 0.000 6.479 0.000) 6.479 6.442 ( 0.000 3.362 0.000) 3.362 6.497 ( 0.000 -2.437 0.000) 2.437 6.500 ( 0.000 -1.763 0.000) 1.763 6.772 ( 0.000 11.045 0.000) 11.045 6.794 ( 0.000 0.073 0.000) 0.073 6.798 ( 0.000 5.930 0.000) 5.930 6.858 ( 0.000 11.556 0.000) 11.556 6.942 ( 0.000 12.154 0.000) 12.154 7.092 ( 0.000 17.566 0.000) 17.566 7.102 ( 0.000 7.765 0.000) 7.765 7.254 ( 0.000 10.788 0.000) 10.788 7.713 ( 0.000 1.689 0.000) 1.689 7.841 ( 0.000 10.789 0.000) 10.789 7.951 ( 0.000 -1.395 0.000) 1.395 7.997 ( 0.000 -5.309 0.000) 5.309 8.199 ( 0.000 -3.610 0.000) 3.610 8.406 ( 0.000 -3.416 0.000) 3.416 8.419 ( 0.000 -5.734 0.000) 5.734 8.607 ( 0.000 0.167 0.000) 0.167 9.020 ( 0.000 14.170 0.000) 14.170 9.032 ( 0.000 15.791 0.000) 15.791 9.112 ( 0.000 16.020 0.000) 16.020 9.304 ( 0.000 13.940 0.000) 13.940 9.312 ( 0.000 15.706 0.000) 15.706 9.474 ( 0.000 13.637 0.000) 13.637 9.703 ( 0.000 10.147 0.000) 10.147 9.707 ( 0.000 10.532 0.000) 10.532 9.993 ( 0.000 -6.828 0.000) 6.828 10.106 ( 0.000 -2.923 0.000) 2.923 10.147 ( 0.000 -2.246 0.000) 2.246 10.399 ( 0.000 10.191 0.000) 10.191 10.451 ( 0.000 -4.534 0.000) 4.534 10.535 ( 0.000 5.227 0.000) 5.227 10.740 ( 0.000 4.445 0.000) 4.445 10.930 ( 0.000 0.375 0.000) 0.375 11.050 ( 0.000 -6.615 0.000) 6.615 11.135 ( 0.000 -5.816 0.000) 5.816 11.244 ( 0.000 -6.919 0.000) 6.919 11.275 ( 0.000 -6.815 0.000) 6.815 11.806 ( 0.000 1.024 0.000) 1.024 11.834 ( 0.000 3.138 0.000) 3.138 11.952 ( 0.000 -3.514 0.000) 3.514 11.991 ( 0.000 -3.256 0.000) 3.256 12.020 ( 0.000 -2.585 0.000) 2.585 12.290 ( 0.000 -3.279 0.000) 3.279 12.303 ( 0.000 -8.197 0.000) 8.197 12.501 ( 0.000 -8.826 0.000) 8.826 13.169 ( 0.000 -15.467 0.000) 15.467 13.203 ( 0.000 -17.839 0.000) 17.839 13.284 ( 0.000 -9.638 0.000) 9.638 13.332 ( 0.000 -15.009 0.000) 15.009 14.972 ( 0.000 61.826 0.000) 61.826 14.980 ( 0.000 60.566 0.000) 60.566 15.168 ( 0.000 54.778 0.000) 54.778 15.423 ( 0.000 40.138 0.000) 40.138 16.913 ( 0.000 2.687 0.000) 2.687 16.958 ( 0.000 1.220 0.000) 1.220 17.443 ( 0.000 -10.106 0.000) 10.106 17.573 ( 0.000 -14.874 0.000) 14.874 18.470 ( 0.000 -5.257 0.000) 5.257 18.723 ( 0.000 -8.250 0.000) 8.250 18.748 ( 0.000 -10.325 0.000) 10.325 18.966 ( 0.000 -16.978 0.000) 16.978 19.126 ( 0.000 -11.365 0.000) 11.365 19.305 ( 0.000 -21.589 0.000) 21.589 19.410 ( 0.000 -8.756 0.000) 8.756 19.495 ( 0.000 -11.816 0.000) 11.816 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.25 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -0.897 -10.435 0.000) 10.473 1.667 ( -6.144 -12.525 0.000) 13.951 1.850 ( 4.248 -1.658 0.000) 4.560 2.045 ( 2.436 -9.802 0.000) 10.100 2.123 ( 2.882 -9.725 0.000) 10.143 2.130 ( 3.831 0.623 0.000) 3.881 2.278 ( -0.591 -6.468 0.000) 6.494 2.307 ( 1.662 -7.100 0.000) 7.292 2.355 ( -0.999 10.391 0.000) 10.439 2.455 ( -7.197 2.633 0.000) 7.664 2.806 ( 8.029 5.735 0.000) 9.867 2.905 ( 2.743 -3.466 0.000) 4.420 2.941 ( 3.199 -5.210 0.000) 6.114 3.122 ( -3.317 -15.933 0.000) 16.275 3.158 ( 1.408 1.473 0.000) 2.038 3.263 ( -5.407 -7.191 0.000) 8.997 3.426 ( 1.289 2.832 0.000) 3.112 3.525 ( -6.791 1.166 0.000) 6.890 3.807 ( -2.262 2.421 0.000) 3.313 3.849 ( -1.208 5.057 0.000) 5.200 3.946 ( 5.314 1.014 0.000) 5.410 4.002 ( 4.225 1.623 0.000) 4.526 4.155 ( 1.214 0.752 0.000) 1.428 4.357 ( -1.456 8.597 0.000) 8.719 4.405 ( -9.152 -8.421 0.000) 12.437 4.467 ( -4.178 10.489 0.000) 11.290 4.534 ( 5.142 4.025 0.000) 6.531 4.695 ( -2.955 4.151 0.000) 5.096 4.896 ( -1.725 -3.076 0.000) 3.526 4.930 ( -5.075 -2.548 0.000) 5.679 5.058 ( -2.258 -1.804 0.000) 2.890 5.167 ( -4.612 0.663 0.000) 4.660 5.317 ( 0.470 10.825 0.000) 10.836 5.329 ( 2.255 5.229 0.000) 5.695 5.403 ( 8.584 -0.778 0.000) 8.619 5.560 ( 1.679 3.867 0.000) 4.216 5.816 ( 0.884 3.135 0.000) 3.257 5.848 ( -3.270 2.429 0.000) 4.073 5.917 ( 10.835 -3.748 0.000) 11.465 6.145 ( 7.475 -3.778 0.000) 8.376 6.263 ( -1.569 5.295 0.000) 5.522 6.428 ( -1.943 1.665 0.000) 2.559 6.447 ( -3.434 -1.797 0.000) 3.876 6.489 ( -1.027 -1.891 0.000) 2.152 6.785 ( 0.516 2.270 0.000) 2.328 6.794 ( 1.725 9.066 0.000) 9.229 6.817 ( 0.821 4.414 0.000) 4.489 6.861 ( -0.042 9.846 0.000) 9.846 6.963 ( 1.638 12.134 0.000) 12.244 7.073 ( -1.903 16.739 0.000) 16.846 7.110 ( 0.829 10.366 0.000) 10.399 7.197 ( -4.205 11.574 0.000) 12.314 7.716 ( 0.523 3.493 0.000) 3.532 7.802 ( -3.184 9.952 0.000) 10.449 7.997 ( 4.068 -0.342 0.000) 4.083 8.057 ( 4.183 -3.237 0.000) 5.289 8.200 ( 0.840 -3.272 0.000) 3.378 8.356 ( -4.496 -4.076 0.000) 6.068 8.418 ( -0.316 -6.201 0.000) 6.209 8.515 ( -7.198 -0.072 0.000) 7.198 9.037 ( 0.954 14.912 0.000) 14.942 9.043 ( 0.562 15.012 0.000) 15.022 9.142 ( 3.141 14.695 0.000) 15.027 9.286 ( -1.931 13.774 0.000) 13.908 9.348 ( 3.423 14.969 0.000) 15.355 9.480 ( -0.219 13.716 0.000) 13.718 9.660 ( -2.887 8.728 0.000) 9.193 9.684 ( -1.740 9.938 0.000) 10.089 10.071 ( 6.006 -2.489 0.000) 6.502 10.120 ( 1.763 -4.287 0.000) 4.635 10.142 ( -0.488 -1.861 0.000) 1.924 10.372 ( -6.151 -2.642 0.000) 6.694 10.413 ( 1.465 9.767 0.000) 9.876 10.524 ( -2.215 5.418 0.000) 5.853 10.779 ( 3.547 2.893 0.000) 4.577 10.906 ( -1.953 0.621 0.000) 2.049 11.077 ( 1.859 -6.402 0.000) 6.666 11.123 ( -0.939 -5.461 0.000) 5.541 11.240 ( -0.003 -7.392 0.000) 7.392 11.273 ( -0.449 -7.789 0.000) 7.802 11.809 ( 0.268 1.428 0.000) 1.452 11.828 ( -0.498 2.894 0.000) 2.936 11.995 ( 3.772 -2.762 0.000) 4.675 12.041 ( 1.768 -2.733 0.000) 3.256 12.042 ( 4.541 -3.477 0.000) 5.720 12.246 ( -4.134 -3.094 0.000) 5.164 12.297 ( -0.068 -8.301 0.000) 8.302 12.448 ( -4.907 -8.577 0.000) 9.881 13.182 ( 1.316 -14.835 0.000) 14.894 13.217 ( 1.348 -17.654 0.000) 17.706 13.263 ( -1.913 -10.803 0.000) 10.971 13.306 ( -2.270 -15.686 0.000) 15.850 14.973 ( 0.075 61.816 0.000) 61.816 14.978 ( -0.139 60.938 0.000) 60.938 15.195 ( 2.676 53.047 0.000) 53.115 15.372 ( -4.498 42.855 0.000) 43.091 16.919 ( 0.609 2.490 0.000) 2.564 16.951 ( -0.614 1.439 0.000) 1.565 17.461 ( 1.700 -10.707 0.000) 10.841 17.553 ( -1.878 -14.118 0.000) 14.242 18.528 ( 5.132 -6.296 0.000) 8.123 18.721 ( -2.701 -9.829 0.000) 10.193 18.803 ( 7.037 -9.718 0.000) 11.998 18.968 ( -0.130 -16.692 0.000) 16.693 19.132 ( 0.838 -10.902 0.000) 10.935 19.329 ( 2.381 -20.288 0.000) 20.427 19.335 ( -6.713 -7.866 0.000) 10.341 19.469 ( -2.765 -13.682 0.000) 13.959 ======================= Grid point 27 (18/72) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -1.777 -10.830 0.000) 10.975 1.587 ( 1.777 -10.830 0.000) 10.975 1.959 ( -6.134 -2.661 0.000) 6.687 1.959 ( 6.134 -2.661 0.000) 6.687 2.198 ( -1.213 -8.687 0.000) 8.771 2.198 ( 1.213 -8.687 0.000) 8.771 2.303 ( -2.498 -6.173 0.000) 6.659 2.303 ( 2.498 -6.173 0.000) 6.659 2.354 ( -2.293 5.745 0.000) 6.185 2.354 ( 2.293 5.745 0.000) 6.185 2.927 ( -3.150 6.155 0.000) 6.914 2.927 ( 3.150 6.155 0.000) 6.914 3.010 ( -5.637 -11.720 0.000) 13.005 3.010 ( 5.637 -11.720 0.000) 13.005 3.198 ( -2.169 -6.849 0.000) 7.184 3.198 ( 2.169 -6.849 0.000) 7.184 3.445 ( -1.394 3.831 0.000) 4.077 3.445 ( 1.394 3.831 0.000) 4.077 3.799 ( -1.535 2.591 0.000) 3.012 3.799 ( 1.535 2.591 0.000) 3.012 4.038 ( -1.364 2.496 0.000) 2.845 4.038 ( 1.364 2.496 0.000) 2.845 4.224 ( -6.780 -4.837 0.000) 8.329 4.224 ( 6.780 -4.837 0.000) 8.329 4.380 ( -3.517 10.853 0.000) 11.409 4.380 ( 3.517 10.853 0.000) 11.409 4.626 ( -3.953 2.897 0.000) 4.901 4.626 ( 3.953 2.897 0.000) 4.901 4.878 ( -0.363 -3.667 0.000) 3.684 4.878 ( 0.363 -3.667 0.000) 3.684 5.062 ( -3.065 -1.679 0.000) 3.494 5.062 ( 3.065 -1.679 0.000) 3.494 5.359 ( -0.516 10.924 0.000) 10.937 5.359 ( 0.516 10.924 0.000) 10.937 5.533 ( -4.167 1.240 0.000) 4.347 5.533 ( 4.167 1.240 0.000) 4.347 5.817 ( -0.022 3.717 0.000) 3.717 5.817 ( 0.022 3.717 0.000) 3.717 6.132 ( -8.561 -2.993 0.000) 9.069 6.132 ( 8.561 -2.993 0.000) 9.069 6.316 ( -6.394 -1.133 0.000) 6.493 6.316 ( 6.394 -1.133 0.000) 6.493 6.456 ( -1.847 -0.686 0.000) 1.970 6.456 ( 1.847 -0.686 0.000) 1.970 6.819 ( -0.247 6.466 0.000) 6.471 6.819 ( 0.247 6.466 0.000) 6.471 6.829 ( -2.668 4.187 0.000) 4.965 6.829 ( 2.668 4.187 0.000) 4.965 7.016 ( -3.475 15.006 0.000) 15.403 7.016 ( 3.475 15.006 0.000) 15.403 7.135 ( -1.826 12.565 0.000) 12.697 7.135 ( 1.826 12.565 0.000) 12.697 7.743 ( -2.254 7.356 0.000) 7.693 7.743 ( 2.254 7.356 0.000) 7.693 8.080 ( -2.734 0.587 0.000) 2.796 8.080 ( 2.734 0.587 0.000) 2.796 8.256 ( -4.662 -3.509 0.000) 5.835 8.256 ( 4.662 -3.509 0.000) 5.835 8.416 ( -1.396 -5.055 0.000) 5.244 8.416 ( 1.396 -5.055 0.000) 5.244 9.047 ( -0.125 15.054 0.000) 15.055 9.047 ( 0.125 15.054 0.000) 15.055 9.223 ( -4.157 13.655 0.000) 14.274 9.223 ( 4.157 13.655 0.000) 14.274 9.432 ( -4.242 13.751 0.000) 14.390 9.432 ( 4.242 13.751 0.000) 14.390 9.647 ( -1.414 9.200 0.000) 9.308 9.647 ( 1.414 9.200 0.000) 9.308 10.128 ( -0.967 -0.831 0.000) 1.275 10.128 ( 0.967 -0.831 0.000) 1.275 10.233 ( -7.454 -3.645 0.000) 8.297 10.233 ( 7.454 -3.645 0.000) 8.297 10.461 ( -3.259 8.073 0.000) 8.706 10.461 ( 3.259 8.073 0.000) 8.706 10.854 ( -3.349 1.383 0.000) 3.623 10.854 ( 3.349 1.383 0.000) 3.623 11.104 ( -0.972 -5.616 0.000) 5.699 11.104 ( 0.972 -5.616 0.000) 5.699 11.254 ( -1.187 -8.360 0.000) 8.444 11.254 ( 1.187 -8.360 0.000) 8.444 11.817 ( -0.543 2.262 0.000) 2.326 11.817 ( 0.543 2.262 0.000) 2.326 12.060 ( -1.085 -2.656 0.000) 2.869 12.060 ( 1.085 -2.656 0.000) 2.869 12.143 ( -5.418 -3.007 0.000) 6.196 12.143 ( 5.418 -3.007 0.000) 6.196 12.338 ( -4.696 -8.498 0.000) 9.709 12.338 ( 4.696 -8.498 0.000) 9.709 13.219 ( -2.224 -13.074 0.000) 13.261 13.219 ( 2.224 -13.074 0.000) 13.261 13.256 ( -2.427 -16.921 0.000) 17.094 13.256 ( 2.427 -16.921 0.000) 17.094 14.975 ( -0.131 61.552 0.000) 61.552 14.975 ( 0.131 61.552 0.000) 61.552 15.272 ( -4.847 48.430 0.000) 48.672 15.272 ( 4.847 48.430 0.000) 48.672 16.935 ( -0.886 1.980 0.000) 2.169 16.935 ( 0.886 1.980 0.000) 2.169 17.506 ( -2.583 -12.344 0.000) 12.611 17.506 ( 2.583 -12.344 0.000) 12.611 18.640 ( -5.218 -8.303 0.000) 9.806 18.640 ( 5.218 -8.303 0.000) 9.806 18.935 ( -4.199 -14.457 0.000) 15.054 18.935 ( 4.199 -14.457 0.000) 15.054 19.191 ( -5.908 -8.178 0.000) 10.089 19.191 ( 5.908 -8.178 0.000) 10.089 19.396 ( -3.962 -17.147 0.000) 17.599 19.396 ( 3.962 -17.147 0.000) 17.599 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.000 2.221 0.000) 2.221 1.551 ( 0.000 -6.583 0.000) 6.583 1.700 ( 0.000 -8.982 0.000) 8.982 1.773 ( 0.000 -2.430 0.000) 2.430 1.948 ( 0.000 -11.257 0.000) 11.257 2.022 ( 0.000 -13.986 0.000) 13.986 2.063 ( 0.000 -4.435 0.000) 4.435 2.083 ( 0.000 -11.395 0.000) 11.395 2.573 ( 0.000 8.017 0.000) 8.017 2.576 ( 0.000 1.572 0.000) 1.572 2.744 ( 0.000 -4.076 0.000) 4.076 2.821 ( 0.000 -11.954 0.000) 11.954 2.900 ( 0.000 11.096 0.000) 11.096 3.016 ( 0.000 9.823 0.000) 9.823 3.219 ( 0.000 -7.130 0.000) 7.130 3.245 ( 0.000 3.167 0.000) 3.167 3.542 ( 0.000 10.777 0.000) 10.777 3.669 ( 0.000 1.206 0.000) 1.206 3.738 ( 0.000 -3.768 0.000) 3.768 3.870 ( 0.000 -3.742 0.000) 3.742 3.973 ( 0.000 5.299 0.000) 5.299 4.019 ( 0.000 3.522 0.000) 3.522 4.147 ( 0.000 -1.938 0.000) 1.938 4.264 ( 0.000 -11.061 0.000) 11.061 4.509 ( 0.000 5.920 0.000) 5.920 4.578 ( 0.000 3.813 0.000) 3.813 4.714 ( 0.000 7.647 0.000) 7.647 4.804 ( 0.000 1.862 0.000) 1.862 4.922 ( 0.000 2.984 0.000) 2.984 5.025 ( 0.000 1.344 0.000) 1.344 5.121 ( 0.000 -2.218 0.000) 2.218 5.141 ( 0.000 -5.331 0.000) 5.331 5.163 ( 0.000 -2.758 0.000) 2.758 5.213 ( 0.000 -7.025 0.000) 7.025 5.526 ( 0.000 2.851 0.000) 2.851 5.559 ( 0.000 3.572 0.000) 3.572 5.798 ( 0.000 2.846 0.000) 2.846 5.843 ( 0.000 1.312 0.000) 1.312 5.949 ( 0.000 2.124 0.000) 2.124 6.007 ( 0.000 -0.472 0.000) 0.472 6.395 ( 0.000 4.497 0.000) 4.497 6.462 ( 0.000 -1.098 0.000) 1.098 6.486 ( 0.000 0.330 0.000) 0.330 6.490 ( 0.000 1.433 0.000) 1.433 6.812 ( 0.000 2.093 0.000) 2.093 6.873 ( 0.000 1.609 0.000) 1.609 6.903 ( 0.000 4.169 0.000) 4.169 6.957 ( 0.000 1.496 0.000) 1.496 7.193 ( 0.000 10.932 0.000) 10.932 7.286 ( 0.000 7.274 0.000) 7.274 7.373 ( 0.000 10.208 0.000) 10.208 7.419 ( 0.000 5.939 0.000) 5.939 7.759 ( 0.000 2.983 0.000) 2.983 7.902 ( 0.000 -4.330 0.000) 4.330 7.944 ( 0.000 1.058 0.000) 1.058 8.049 ( 0.000 9.777 0.000) 9.777 8.106 ( 0.000 -5.242 0.000) 5.242 8.320 ( 0.000 -4.620 0.000) 4.620 8.379 ( 0.000 1.087 0.000) 1.087 8.559 ( 0.000 -4.696 0.000) 4.696 9.263 ( 0.000 10.125 0.000) 10.125 9.319 ( 0.000 13.379 0.000) 13.379 9.354 ( 0.000 7.759 0.000) 7.759 9.528 ( 0.000 8.588 0.000) 8.588 9.591 ( 0.000 12.477 0.000) 12.477 9.694 ( 0.000 6.224 0.000) 6.224 9.809 ( 0.000 -0.006 0.000) 0.006 9.836 ( 0.000 2.611 0.000) 2.611 9.877 ( 0.000 -2.160 0.000) 2.160 10.043 ( 0.000 -3.102 0.000) 3.102 10.109 ( 0.000 0.174 0.000) 0.174 10.339 ( 0.000 -6.919 0.000) 6.919 10.632 ( 0.000 12.633 0.000) 12.633 10.662 ( 0.000 7.319 0.000) 7.319 10.808 ( 0.000 2.549 0.000) 2.549 10.902 ( 0.000 -2.354 0.000) 2.354 10.937 ( 0.000 -4.344 0.000) 4.344 11.024 ( 0.000 -5.037 0.000) 5.037 11.090 ( 0.000 -8.929 0.000) 8.929 11.128 ( 0.000 -7.783 0.000) 7.783 11.845 ( 0.000 2.711 0.000) 2.711 11.906 ( 0.000 -1.221 0.000) 1.221 11.908 ( 0.000 4.346 0.000) 4.346 11.936 ( 0.000 -2.187 0.000) 2.187 11.965 ( 0.000 -2.962 0.000) 2.962 12.147 ( 0.000 -7.592 0.000) 7.592 12.246 ( 0.000 -0.993 0.000) 0.993 12.349 ( 0.000 -6.415 0.000) 6.415 12.910 ( 0.000 -9.692 0.000) 9.692 12.923 ( 0.000 -10.275 0.000) 10.275 13.097 ( 0.000 -8.339 0.000) 8.339 13.099 ( 0.000 -7.749 0.000) 7.749 16.062 ( 0.000 47.145 0.000) 47.145 16.069 ( 0.000 47.607 0.000) 47.607 16.167 ( 0.000 43.757 0.000) 43.757 16.227 ( 0.000 37.411 0.000) 37.411 16.988 ( 0.000 5.186 0.000) 5.186 17.008 ( 0.000 4.200 0.000) 4.200 17.268 ( 0.000 -7.628 0.000) 7.628 17.319 ( 0.000 -11.139 0.000) 11.139 18.308 ( 0.000 -11.750 0.000) 11.750 18.463 ( 0.000 -17.912 0.000) 17.912 18.480 ( 0.000 -18.456 0.000) 18.456 18.555 ( 0.000 -23.252 0.000) 23.252 18.899 ( 0.000 -9.333 0.000) 9.333 18.931 ( 0.000 -13.041 0.000) 13.041 19.276 ( 0.000 -4.883 0.000) 4.883 19.297 ( 0.000 -7.190 0.000) 7.190 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.652 2.735 0.000) 2.812 1.507 ( -2.247 -2.600 0.000) 3.436 1.794 ( 6.935 -12.744 0.000) 14.508 1.797 ( 2.570 -3.606 0.000) 4.428 1.935 ( -1.573 -8.881 0.000) 9.019 2.034 ( -3.138 -8.107 0.000) 8.693 2.052 ( 2.592 -12.527 0.000) 12.792 2.099 ( 1.135 -12.099 0.000) 12.152 2.537 ( -2.242 5.822 0.000) 6.239 2.556 ( -1.650 7.802 0.000) 7.974 2.755 ( 1.527 -5.383 0.000) 5.596 2.838 ( 0.400 -11.142 0.000) 11.149 2.964 ( 5.201 7.910 0.000) 9.467 3.034 ( 1.431 7.651 0.000) 7.784 3.162 ( -3.668 -3.873 0.000) 5.334 3.223 ( -2.734 1.637 0.000) 3.187 3.578 ( 2.311 10.344 0.000) 10.599 3.591 ( -2.471 5.512 0.000) 6.040 3.832 ( 3.624 -5.284 0.000) 6.407 3.843 ( -1.855 0.397 0.000) 1.897 3.985 ( -1.264 3.748 0.000) 3.955 4.022 ( 3.569 0.680 0.000) 3.633 4.152 ( -0.100 -2.248 0.000) 2.250 4.205 ( -5.408 -9.813 0.000) 11.205 4.498 ( 0.080 5.966 0.000) 5.967 4.603 ( 1.948 1.820 0.000) 2.666 4.649 ( -5.969 6.371 0.000) 8.730 4.739 ( -4.885 0.440 0.000) 4.905 4.891 ( -2.196 3.025 0.000) 3.738 4.894 ( -5.224 0.233 0.000) 5.230 5.007 ( -3.192 -3.280 0.000) 4.577 5.107 ( -4.844 -5.357 0.000) 7.223 5.344 ( 10.639 -0.482 0.000) 10.650 5.411 ( 9.760 -1.222 0.000) 9.836 5.481 ( 1.231 6.223 0.000) 6.343 5.608 ( -0.158 0.377 0.000) 0.409 5.875 ( 3.715 2.250 0.000) 4.343 5.883 ( 6.527 0.439 0.000) 6.542 5.922 ( -1.035 4.388 0.000) 4.509 6.068 ( 3.015 -3.760 0.000) 4.819 6.359 ( -2.833 4.168 0.000) 5.040 6.431 ( -4.730 0.604 0.000) 4.768 6.455 ( -0.848 -1.530 0.000) 1.749 6.457 ( -2.407 0.505 0.000) 2.460 6.827 ( 1.876 2.746 0.000) 3.325 6.884 ( 0.952 1.663 0.000) 1.917 6.904 ( -0.016 3.621 0.000) 3.621 6.944 ( -1.547 1.488 0.000) 2.147 7.212 ( 1.858 10.611 0.000) 10.772 7.304 ( 1.267 6.805 0.000) 6.922 7.337 ( -3.233 9.256 0.000) 9.804 7.371 ( -3.269 6.131 0.000) 6.948 7.801 ( 3.778 4.937 0.000) 6.217 7.965 ( -0.581 4.166 0.000) 4.206 7.986 ( 6.610 -4.185 0.000) 7.824 8.042 ( 1.838 7.130 0.000) 7.363 8.118 ( 1.377 -4.695 0.000) 4.892 8.310 ( -0.716 -5.112 0.000) 5.161 8.317 ( -5.747 0.870 0.000) 5.813 8.479 ( -7.058 -3.756 0.000) 7.995 9.286 ( 1.725 10.226 0.000) 10.371 9.316 ( -0.249 12.683 0.000) 12.685 9.374 ( 2.156 7.919 0.000) 8.207 9.505 ( -2.355 8.031 0.000) 8.369 9.600 ( 1.040 10.615 0.000) 10.666 9.704 ( -1.023 7.707 0.000) 7.775 9.725 ( -2.022 -1.031 0.000) 2.270 9.814 ( -2.122 2.562 0.000) 3.327 10.000 ( 7.219 -2.445 0.000) 7.622 10.077 ( 3.303 -1.296 0.000) 3.548 10.107 ( -0.286 0.154 0.000) 0.324 10.299 ( -3.925 -4.953 0.000) 6.320 10.633 ( 0.209 11.902 0.000) 11.904 10.660 ( -0.463 7.806 0.000) 7.819 10.818 ( 1.245 1.411 0.000) 1.882 10.888 ( -1.187 -1.715 0.000) 2.086 10.957 ( 1.540 -5.199 0.000) 5.422 11.015 ( -0.885 -5.166 0.000) 5.241 11.084 ( -0.308 -8.661 0.000) 8.667 11.114 ( -1.244 -8.067 0.000) 8.162 11.854 ( 0.893 3.030 0.000) 3.159 11.898 ( -0.735 4.094 0.000) 4.160 11.956 ( 3.893 -1.037 0.000) 4.029 11.984 ( 1.631 -3.104 0.000) 3.507 11.986 ( 4.841 -2.096 0.000) 5.275 12.141 ( -0.100 -7.518 0.000) 7.519 12.204 ( -4.015 -0.985 0.000) 4.134 12.301 ( -4.570 -6.171 0.000) 7.679 12.930 ( 2.025 -9.571 0.000) 9.782 12.940 ( 1.713 -10.091 0.000) 10.236 13.060 ( -3.225 -8.539 0.000) 9.128 13.063 ( -3.267 -8.429 0.000) 9.040 16.064 ( 0.146 47.168 0.000) 47.168 16.069 ( -0.063 47.479 0.000) 47.479 16.172 ( 0.497 43.082 0.000) 43.085 16.213 ( -1.203 38.632 0.000) 38.651 16.991 ( 0.285 5.053 0.000) 5.061 17.005 ( -0.249 4.349 0.000) 4.356 17.275 ( 0.670 -8.117 0.000) 8.145 17.312 ( -0.735 -10.616 0.000) 10.642 18.342 ( 2.945 -13.010 0.000) 13.339 18.447 ( -1.494 -17.328 0.000) 17.392 18.516 ( 2.773 -20.614 0.000) 20.799 18.560 ( 0.294 -23.364 0.000) 23.366 18.930 ( 3.845 -7.268 0.000) 8.222 18.987 ( 5.025 -11.997 0.000) 13.007 19.210 ( -6.185 -4.624 0.000) 7.723 19.244 ( -5.076 -7.988 0.000) 9.465 ======================= Grid point 32 (21/72) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -0.286 1.481 0.000) 1.509 1.489 ( 0.286 1.481 0.000) 1.509 1.869 ( -3.746 -7.851 0.000) 8.698 1.869 ( 3.746 -7.851 0.000) 8.698 1.937 ( -5.966 -10.639 0.000) 12.198 1.937 ( 5.966 -10.639 0.000) 12.198 2.102 ( -1.454 -12.297 0.000) 12.383 2.102 ( 1.454 -12.297 0.000) 12.383 2.523 ( -0.906 8.158 0.000) 8.208 2.523 ( 0.906 8.158 0.000) 8.208 2.808 ( -3.074 -8.518 0.000) 9.056 2.808 ( 3.074 -8.518 0.000) 9.056 3.044 ( -1.486 5.342 0.000) 5.545 3.044 ( 1.486 5.342 0.000) 5.545 3.149 ( -2.975 0.008 0.000) 2.975 3.149 ( 2.975 0.008 0.000) 2.975 3.591 ( -1.018 9.492 0.000) 9.547 3.591 ( 1.018 9.492 0.000) 9.547 3.832 ( -1.224 0.069 0.000) 1.226 3.832 ( 1.224 0.069 0.000) 1.226 4.033 ( -4.026 -1.645 0.000) 4.349 4.033 ( 4.026 -1.645 0.000) 4.349 4.135 ( -0.759 -4.624 0.000) 4.686 4.135 ( 0.759 -4.624 0.000) 4.686 4.538 ( -4.040 5.456 0.000) 6.789 4.538 ( 4.040 5.456 0.000) 6.789 4.654 ( -3.303 -0.110 0.000) 3.305 4.654 ( 3.303 -0.110 0.000) 3.305 4.858 ( -0.646 2.192 0.000) 2.285 4.858 ( 0.646 2.192 0.000) 2.285 5.005 ( -3.211 -3.550 0.000) 4.787 5.005 ( 3.211 -3.550 0.000) 4.787 5.513 ( -1.288 4.007 0.000) 4.209 5.513 ( 1.288 4.007 0.000) 4.209 5.534 ( -6.455 -0.157 0.000) 6.457 5.534 ( 6.455 -0.157 0.000) 6.457 5.909 ( -0.665 4.642 0.000) 4.690 5.909 ( 0.665 4.642 0.000) 4.690 6.045 ( -6.247 -4.167 0.000) 7.509 6.045 ( 6.247 -4.167 0.000) 7.509 6.342 ( -2.575 2.649 0.000) 3.694 6.342 ( 2.575 2.649 0.000) 3.694 6.435 ( -0.486 -1.447 0.000) 1.527 6.435 ( 0.486 -1.447 0.000) 1.527 6.887 ( -3.236 2.342 0.000) 3.995 6.887 ( 3.236 2.342 0.000) 3.995 6.902 ( -0.876 2.382 0.000) 2.538 6.902 ( 0.876 2.382 0.000) 2.538 7.266 ( -3.386 9.395 0.000) 9.987 7.266 ( 3.386 9.395 0.000) 9.987 7.326 ( -1.253 6.261 0.000) 6.385 7.326 ( 1.253 6.261 0.000) 6.385 7.892 ( -4.889 7.304 0.000) 8.789 7.892 ( 4.889 7.304 0.000) 8.789 8.094 ( -2.163 -1.115 0.000) 2.433 8.094 ( 2.163 -1.115 0.000) 2.433 8.179 ( -6.575 -1.101 0.000) 6.666 8.179 ( 6.575 -1.101 0.000) 6.666 8.339 ( -5.004 -3.924 0.000) 6.359 8.339 ( 5.004 -3.924 0.000) 6.359 9.309 ( -0.573 11.465 0.000) 11.480 9.309 ( 0.573 11.465 0.000) 11.480 9.439 ( -3.861 7.595 0.000) 8.520 9.439 ( 3.861 7.595 0.000) 8.520 9.638 ( -2.858 6.724 0.000) 7.306 9.638 ( 2.858 6.724 0.000) 7.306 9.761 ( -2.747 2.669 0.000) 3.830 9.761 ( 2.747 2.669 0.000) 3.830 10.089 ( -1.892 -1.021 0.000) 2.150 10.089 ( 1.892 -1.021 0.000) 2.150 10.188 ( -6.701 -1.854 0.000) 6.953 10.188 ( 6.701 -1.854 0.000) 6.953 10.644 ( -0.866 9.922 0.000) 9.959 10.644 ( 0.866 9.922 0.000) 9.959 10.855 ( -2.041 -0.684 0.000) 2.152 10.855 ( 2.041 -0.684 0.000) 2.152 10.990 ( -1.571 -5.498 0.000) 5.718 10.990 ( 1.571 -5.498 0.000) 5.718 11.089 ( -0.903 -8.361 0.000) 8.410 11.089 ( 0.903 -8.361 0.000) 8.410 11.877 ( -1.219 3.683 0.000) 3.880 11.877 ( 1.219 3.683 0.000) 3.880 12.010 ( -0.024 -2.506 0.000) 2.506 12.010 ( 0.024 -2.506 0.000) 2.506 12.099 ( -5.936 -1.343 0.000) 6.086 12.099 ( 5.936 -1.343 0.000) 6.086 12.188 ( -5.393 -6.454 0.000) 8.411 12.188 ( 5.393 -6.454 0.000) 8.411 12.988 ( -3.619 -9.069 0.000) 9.765 12.988 ( 3.619 -9.069 0.000) 9.765 12.991 ( -3.279 -9.539 0.000) 10.087 12.991 ( 3.279 -9.539 0.000) 10.087 16.067 ( -0.137 47.270 0.000) 47.270 16.067 ( 0.137 47.270 0.000) 47.270 16.188 ( -1.111 41.124 0.000) 41.139 16.188 ( 1.111 41.124 0.000) 41.139 16.999 ( -0.385 4.711 0.000) 4.727 16.999 ( 0.385 4.711 0.000) 4.727 17.293 ( -1.006 -9.353 0.000) 9.407 17.293 ( 1.006 -9.353 0.000) 9.407 18.404 ( -2.828 -15.510 0.000) 15.765 18.404 ( 2.828 -15.510 0.000) 15.765 18.557 ( -0.929 -23.123 0.000) 23.142 18.557 ( 0.929 -23.123 0.000) 23.142 19.057 ( -8.067 -4.768 0.000) 9.370 19.057 ( 8.067 -4.768 0.000) 9.370 19.115 ( -7.139 -9.876 0.000) 12.186 19.115 ( 7.139 -9.876 0.000) 12.186 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 0.000 -5.582 0.000) 5.582 1.550 ( 0.000 5.583 0.000) 5.583 1.652 ( 0.000 -10.035 0.000) 10.035 1.652 ( 0.000 10.035 0.000) 10.035 1.845 ( 0.000 -2.524 0.000) 2.524 1.845 ( 0.000 2.524 0.000) 2.524 1.974 ( 0.000 -1.955 0.000) 1.955 1.974 ( 0.000 1.955 0.000) 1.955 2.652 ( 0.000 -5.877 0.000) 5.877 2.652 ( 0.000 5.877 0.000) 5.877 2.680 ( 0.000 -3.581 0.000) 3.581 2.680 ( 0.000 3.581 0.000) 3.581 3.082 ( 0.000 -7.583 0.000) 7.583 3.082 ( 0.000 7.583 0.000) 7.583 3.201 ( 0.000 -7.354 0.000) 7.354 3.201 ( 0.000 7.354 0.000) 7.354 3.691 ( 0.000 -1.161 0.000) 1.161 3.691 ( 0.000 1.161 0.000) 1.161 3.745 ( 0.000 -9.085 0.000) 9.085 3.745 ( 0.000 9.085 0.000) 9.085 4.086 ( 0.000 -3.628 0.000) 3.628 4.086 ( 0.000 3.628 0.000) 3.628 4.088 ( 0.000 -6.984 0.000) 6.984 4.088 ( 0.000 6.984 0.000) 6.984 4.594 ( 0.000 -2.043 0.000) 2.043 4.594 ( 0.000 2.043 0.000) 2.043 4.807 ( 0.000 -1.891 0.000) 1.891 4.807 ( 0.000 1.891 0.000) 1.891 5.019 ( 0.000 -6.268 0.000) 6.268 5.019 ( 0.000 6.268 0.000) 6.268 5.083 ( 0.000 -4.950 0.000) 4.950 5.083 ( 0.000 4.950 0.000) 4.950 5.117 ( 0.000 -1.702 0.000) 1.702 5.117 ( 0.000 1.703 0.000) 1.703 5.572 ( 0.000 -1.401 0.000) 1.401 5.572 ( 0.000 1.401 0.000) 1.401 5.844 ( 0.000 -1.304 0.000) 1.304 5.844 ( 0.000 1.304 0.000) 1.304 5.988 ( 0.000 -1.557 0.000) 1.557 5.988 ( 0.000 1.557 0.000) 1.557 6.445 ( 0.000 -1.101 0.000) 1.101 6.445 ( 0.000 1.101 0.000) 1.101 6.498 ( 0.000 -0.453 0.000) 0.453 6.498 ( 0.000 0.453 0.000) 0.453 6.863 ( 0.000 -2.254 0.000) 2.254 6.863 ( 0.000 2.254 0.000) 2.254 6.957 ( 0.000 -1.388 0.000) 1.388 6.957 ( 0.000 1.388 0.000) 1.388 7.331 ( 0.000 -2.719 0.000) 2.719 7.331 ( 0.000 2.719 0.000) 2.719 7.476 ( 0.000 -0.614 0.000) 0.614 7.476 ( 0.000 0.614 0.000) 0.614 7.825 ( 0.000 -3.654 0.000) 3.654 7.825 ( 0.000 3.654 0.000) 3.654 8.001 ( 0.000 -4.579 0.000) 4.579 8.001 ( 0.000 4.579 0.000) 4.579 8.216 ( 0.000 -6.662 0.000) 6.662 8.216 ( 0.000 6.662 0.000) 6.662 8.450 ( 0.000 -5.575 0.000) 5.575 8.450 ( 0.000 5.575 0.000) 5.575 9.397 ( 0.000 -3.001 0.000) 3.001 9.397 ( 0.000 3.001 0.000) 3.001 9.541 ( 0.000 -8.251 0.000) 8.251 9.541 ( 0.000 8.251 0.000) 8.251 9.748 ( 0.000 -4.525 0.000) 4.525 9.748 ( 0.000 4.525 0.000) 4.525 9.785 ( 0.000 -7.033 0.000) 7.033 9.785 ( 0.000 7.033 0.000) 7.033 9.960 ( 0.000 -5.877 0.000) 5.877 9.960 ( 0.000 5.877 0.000) 5.877 10.193 ( 0.000 -7.248 0.000) 7.248 10.193 ( 0.000 7.248 0.000) 7.248 10.794 ( 0.000 -5.002 0.000) 5.002 10.794 ( 0.000 5.002 0.000) 5.002 10.847 ( 0.000 -6.132 0.000) 6.132 10.847 ( 0.000 6.132 0.000) 6.132 10.917 ( 0.000 -5.213 0.000) 5.213 10.917 ( 0.000 5.213 0.000) 5.213 11.000 ( 0.000 -3.952 0.000) 3.952 11.000 ( 0.000 3.952 0.000) 3.952 11.903 ( 0.000 -0.854 0.000) 0.854 11.903 ( 0.000 0.854 0.000) 0.854 11.904 ( 0.000 -3.200 0.000) 3.200 11.904 ( 0.000 3.200 0.000) 3.200 12.012 ( 0.000 -6.100 0.000) 6.100 12.012 ( 0.000 6.100 0.000) 6.100 12.260 ( 0.000 -2.579 0.000) 2.579 12.260 ( 0.000 2.579 0.000) 2.579 12.816 ( 0.000 -0.390 0.000) 0.390 12.816 ( 0.000 0.390 0.000) 0.390 13.017 ( 0.000 -0.183 0.000) 0.183 13.017 ( 0.000 0.183 0.000) 0.183 16.624 ( 0.000 -4.094 0.000) 4.094 16.624 ( 0.000 4.095 0.000) 4.095 16.638 ( 0.000 -3.323 0.000) 3.323 16.638 ( 0.000 3.323 0.000) 3.323 17.128 ( 0.000 -8.946 0.000) 8.946 17.128 ( 0.000 8.946 0.000) 8.946 17.134 ( 0.000 -7.446 0.000) 7.446 17.134 ( 0.000 7.446 0.000) 7.446 18.163 ( 0.000 -4.994 0.000) 4.994 18.163 ( 0.000 4.994 0.000) 4.994 18.234 ( 0.000 -2.388 0.000) 2.388 18.234 ( 0.000 2.388 0.000) 2.388 18.814 ( 0.000 -0.478 0.000) 0.478 18.814 ( 0.000 0.478 0.000) 0.478 19.228 ( 0.000 -0.223 0.000) 0.223 19.228 ( 0.000 0.223 0.000) 0.223 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 2.276 -8.687 0.000) 8.980 1.574 ( 2.276 8.687 0.000) 8.980 1.658 ( 0.036 -10.747 0.000) 10.747 1.658 ( 0.036 10.747 0.000) 10.747 1.877 ( 2.426 -3.786 0.000) 4.497 1.877 ( 2.426 3.786 0.000) 4.497 1.945 ( -2.138 -1.969 0.000) 2.906 1.945 ( -2.138 1.970 0.000) 2.907 2.665 ( 0.638 -7.227 0.000) 7.255 2.665 ( 0.638 7.227 0.000) 7.255 2.669 ( -0.750 -4.367 0.000) 4.430 2.669 ( -0.750 4.367 0.000) 4.431 3.087 ( 0.963 -4.570 0.000) 4.670 3.087 ( 0.963 4.570 0.000) 4.670 3.178 ( -2.003 -5.826 0.000) 6.161 3.178 ( -2.003 5.826 0.000) 6.161 3.715 ( 2.121 -6.420 0.000) 6.761 3.715 ( 2.121 6.420 0.000) 6.761 3.772 ( 1.619 -8.043 0.000) 8.204 3.772 ( 1.619 8.043 0.000) 8.204 4.061 ( -2.057 -4.353 0.000) 4.815 4.061 ( -2.057 4.353 0.000) 4.815 4.072 ( -1.256 -4.970 0.000) 5.126 4.072 ( -1.256 4.970 0.000) 5.126 4.590 ( 0.137 -3.040 0.000) 3.043 4.590 ( 0.137 3.040 0.000) 3.043 4.723 ( -6.590 -1.956 0.000) 6.874 4.723 ( -6.590 1.956 0.000) 6.874 4.939 ( -3.351 -3.487 0.000) 4.836 4.939 ( -3.351 3.487 0.000) 4.836 4.989 ( -2.916 -6.168 0.000) 6.822 4.989 ( -2.916 6.168 0.000) 6.822 5.363 ( 11.981 -2.414 0.000) 12.222 5.363 ( 11.981 2.414 0.000) 12.222 5.575 ( 0.061 -3.462 0.000) 3.463 5.575 ( 0.061 3.462 0.000) 3.463 5.897 ( 4.575 -0.286 0.000) 4.584 5.897 ( 4.575 0.286 0.000) 4.584 6.000 ( 0.513 -3.517 0.000) 3.554 6.000 ( 0.513 3.517 0.000) 3.554 6.421 ( -2.044 -2.242 0.000) 3.034 6.421 ( -2.044 2.242 0.000) 3.034 6.451 ( -3.816 -1.006 0.000) 3.946 6.451 ( -3.816 1.006 0.000) 3.946 6.879 ( 1.568 -1.967 0.000) 2.516 6.879 ( 1.568 1.967 0.000) 2.516 6.949 ( -0.927 -1.018 0.000) 1.376 6.949 ( -0.927 1.018 0.000) 1.377 7.344 ( 1.088 -2.645 0.000) 2.860 7.344 ( 1.088 2.645 0.000) 2.860 7.429 ( -3.451 -0.534 0.000) 3.492 7.429 ( -3.451 0.534 0.000) 3.492 7.897 ( 5.910 -4.770 0.000) 7.595 7.897 ( 5.910 4.770 0.000) 7.595 8.030 ( 2.205 -3.917 0.000) 4.495 8.030 ( 2.205 3.917 0.000) 4.495 8.197 ( -1.066 -6.978 0.000) 7.059 8.197 ( -1.066 6.978 0.000) 7.059 8.384 ( -6.025 -5.127 0.000) 7.911 8.384 ( -6.025 5.127 0.000) 7.911 9.420 ( 2.159 -2.953 0.000) 3.658 9.420 ( 2.159 2.953 0.000) 3.658 9.520 ( -1.882 -7.066 0.000) 7.313 9.520 ( -1.882 7.066 0.000) 7.313 9.734 ( -0.664 -2.740 0.000) 2.819 9.734 ( -0.664 2.740 0.000) 2.819 9.767 ( -1.542 -6.375 0.000) 6.559 9.767 ( -1.542 6.375 0.000) 6.559 10.028 ( 5.415 -3.665 0.000) 6.538 10.028 ( 5.415 3.665 0.000) 6.538 10.183 ( -1.262 -6.289 0.000) 6.415 10.183 ( -1.262 6.289 0.000) 6.415 10.797 ( 0.337 -5.028 0.000) 5.040 10.797 ( 0.337 5.028 0.000) 5.040 10.834 ( -1.133 -6.301 0.000) 6.402 10.834 ( -1.133 6.301 0.000) 6.402 10.926 ( 0.924 -4.564 0.000) 4.656 10.926 ( 0.924 4.564 0.000) 4.656 10.985 ( -1.412 -3.760 0.000) 4.017 10.985 ( -1.412 3.760 0.000) 4.017 11.919 ( 1.388 -3.441 0.000) 3.711 11.919 ( 1.388 3.441 0.000) 3.711 11.947 ( 3.179 -0.702 0.000) 3.256 11.947 ( 3.179 0.702 0.000) 3.256 12.011 ( 0.804 -5.520 0.000) 5.578 12.011 ( 0.804 5.520 0.000) 5.578 12.216 ( -4.235 -2.406 0.000) 4.871 12.216 ( -4.235 2.406 0.000) 4.871 12.837 ( 2.017 -0.280 0.000) 2.037 12.837 ( 2.017 0.280 0.000) 2.037 12.976 ( -3.627 -0.168 0.000) 3.631 12.976 ( -3.627 0.168 0.000) 3.631 16.625 ( 0.090 -3.888 0.000) 3.889 16.625 ( 0.090 3.889 0.000) 3.890 16.635 ( -0.268 -3.390 0.000) 3.401 16.635 ( -0.268 3.391 0.000) 3.402 17.129 ( 0.079 -8.699 0.000) 8.699 17.129 ( 0.079 8.699 0.000) 8.699 17.133 ( -0.072 -7.640 0.000) 7.640 17.133 ( -0.072 7.640 0.000) 7.640 18.183 ( 1.677 -4.914 0.000) 5.192 18.183 ( 1.677 4.914 0.000) 5.192 18.230 ( -0.405 -3.023 0.000) 3.050 18.230 ( -0.405 3.023 0.000) 3.050 18.871 ( 5.523 -1.005 0.000) 5.614 18.871 ( 5.523 1.005 0.000) 5.614 19.166 ( -5.853 -0.462 0.000) 5.871 19.166 ( -5.853 0.462 0.000) 5.871 ======================= Grid point 39 (24/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -2.737 -11.724 0.000) 12.039 1.630 ( 2.737 -11.724 0.000) 12.039 1.630 ( -2.737 11.724 0.000) 12.039 1.630 ( 2.737 11.724 0.000) 12.039 1.914 ( -1.208 -5.189 0.000) 5.327 1.914 ( 1.208 -5.189 0.000) 5.327 1.914 ( -1.208 5.189 0.000) 5.327 1.914 ( 1.208 5.189 0.000) 5.327 2.665 ( -0.358 -6.756 0.000) 6.766 2.665 ( 0.358 -6.756 0.000) 6.766 2.665 ( -0.358 6.756 0.000) 6.766 2.665 ( 0.358 6.756 0.000) 6.766 3.128 ( -2.767 -2.843 0.000) 3.967 3.128 ( 2.767 -2.843 0.000) 3.967 3.128 ( -2.767 2.843 0.000) 3.967 3.128 ( 2.767 2.843 0.000) 3.967 3.765 ( -2.309 -7.079 0.000) 7.446 3.765 ( 2.309 -7.079 0.000) 7.446 3.765 ( -2.309 7.079 0.000) 7.446 3.765 ( 2.309 7.079 0.000) 7.446 4.046 ( -0.836 -3.443 0.000) 3.543 4.046 ( 0.836 -3.443 0.000) 3.543 4.046 ( -0.836 3.443 0.000) 3.543 4.046 ( 0.836 3.443 0.000) 3.543 4.620 ( -3.192 -3.199 0.000) 4.519 4.620 ( 3.192 -3.199 0.000) 4.519 4.620 ( -3.192 3.199 0.000) 4.519 4.620 ( 3.192 3.199 0.000) 4.519 4.930 ( -1.985 -4.162 0.000) 4.611 4.930 ( 1.985 -4.162 0.000) 4.611 4.930 ( -1.985 4.162 0.000) 4.611 4.930 ( 1.985 4.162 0.000) 4.611 5.538 ( -4.932 -0.577 0.000) 4.966 5.538 ( -4.932 0.577 0.000) 4.966 5.538 ( 4.932 -0.577 0.000) 4.966 5.538 ( 4.932 0.577 0.000) 4.966 5.982 ( -2.800 -2.955 0.000) 4.071 5.982 ( 2.800 -2.955 0.000) 4.071 5.982 ( -2.800 2.955 0.000) 4.071 5.982 ( 2.800 2.955 0.000) 4.071 6.396 ( -0.615 -2.569 0.000) 2.641 6.396 ( 0.615 -2.569 0.000) 2.641 6.396 ( -0.615 2.569 0.000) 2.641 6.396 ( 0.615 2.569 0.000) 2.641 6.918 ( -2.006 -0.586 0.000) 2.090 6.918 ( -2.006 0.586 0.000) 2.090 6.918 ( 2.006 -0.586 0.000) 2.090 6.918 ( 2.006 0.586 0.000) 2.090 7.372 ( -1.968 -1.550 0.000) 2.505 7.372 ( 1.968 -1.550 0.000) 2.505 7.372 ( -1.968 1.550 0.000) 2.505 7.372 ( 1.968 1.550 0.000) 2.505 8.014 ( -4.537 -5.311 0.000) 6.985 8.014 ( 4.537 -5.311 0.000) 6.985 8.014 ( -4.537 5.311 0.000) 6.985 8.014 ( 4.537 5.311 0.000) 6.985 8.246 ( -6.315 -5.287 0.000) 8.236 8.246 ( 6.315 -5.287 0.000) 8.236 8.246 ( -6.315 5.287 0.000) 8.236 8.246 ( 6.315 5.287 0.000) 8.236 9.472 ( -2.710 -4.323 0.000) 5.103 9.472 ( 2.710 -4.323 0.000) 5.103 9.472 ( -2.710 4.323 0.000) 5.103 9.472 ( 2.710 4.323 0.000) 5.103 9.737 ( -1.065 -4.286 0.000) 4.416 9.737 ( 1.065 -4.286 0.000) 4.416 9.737 ( -1.065 4.286 0.000) 4.416 9.737 ( 1.065 4.286 0.000) 4.416 10.130 ( -4.085 -3.910 0.000) 5.655 10.130 ( 4.085 -3.910 0.000) 5.655 10.130 ( -4.085 3.910 0.000) 5.655 10.130 ( 4.085 3.910 0.000) 5.655 10.811 ( -1.021 -5.673 0.000) 5.765 10.811 ( 1.021 -5.673 0.000) 5.765 10.811 ( -1.021 5.673 0.000) 5.765 10.811 ( 1.021 5.673 0.000) 5.765 10.952 ( -1.622 -3.748 0.000) 4.084 10.952 ( 1.622 -3.748 0.000) 4.084 10.952 ( -1.622 3.748 0.000) 4.084 10.952 ( 1.622 3.748 0.000) 4.084 11.952 ( -1.533 -3.619 0.000) 3.930 11.952 ( 1.533 -3.619 0.000) 3.930 11.952 ( -1.533 3.619 0.000) 3.930 11.952 ( 1.533 3.619 0.000) 3.930 12.102 ( -6.515 -2.092 0.000) 6.842 12.102 ( -6.515 2.092 0.000) 6.842 12.102 ( 6.515 -2.092 0.000) 6.842 12.102 ( 6.515 2.092 0.000) 6.842 12.896 ( -3.804 -0.053 0.000) 3.804 12.896 ( -3.804 0.053 0.000) 3.804 12.896 ( 3.804 -0.053 0.000) 3.804 12.896 ( 3.804 0.053 0.000) 3.804 16.629 ( -0.276 -3.576 0.000) 3.586 16.629 ( 0.276 -3.576 0.000) 3.586 16.629 ( -0.276 3.576 0.000) 3.587 16.629 ( 0.276 3.576 0.000) 3.587 17.131 ( -0.107 -8.143 0.000) 8.143 17.131 ( 0.107 -8.143 0.000) 8.143 17.131 ( -0.107 8.143 0.000) 8.143 17.131 ( 0.107 8.143 0.000) 8.143 18.215 ( -1.212 -4.194 0.000) 4.365 18.215 ( 1.212 -4.194 0.000) 4.365 18.215 ( -1.212 4.194 0.000) 4.365 18.215 ( 1.212 4.194 0.000) 4.365 19.017 ( -8.239 -0.933 0.000) 8.292 19.017 ( -8.239 0.933 0.000) 8.292 19.017 ( 8.239 -0.933 0.000) 8.292 19.017 ( 8.239 0.933 0.000) 8.292 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 0.000 0.000 23.748) 23.748 0.513 ( 0.000 0.000 25.417) 25.417 0.858 ( 0.000 0.000 41.304) 41.304 1.554 ( 0.000 0.000 -7.545) 7.545 1.629 ( 0.000 0.000 7.493) 7.493 1.918 ( 0.000 0.000 -12.508) 12.508 1.957 ( 0.000 0.000 2.369) 2.369 2.064 ( 0.000 0.000 -4.989) 4.989 2.191 ( 0.000 0.000 -5.491) 5.491 2.516 ( 0.000 0.000 -7.234) 7.234 2.571 ( 0.000 0.000 -0.344) 0.344 2.708 ( 0.000 0.000 -0.234) 0.234 2.763 ( 0.000 0.000 -1.905) 1.905 2.816 ( 0.000 0.000 5.567) 5.567 2.925 ( 0.000 0.000 7.958) 7.958 3.044 ( 0.000 0.000 -0.778) 0.778 3.051 ( 0.000 0.000 -4.217) 4.217 3.079 ( 0.000 0.000 14.321) 14.321 3.294 ( 0.000 0.000 -4.342) 4.342 3.642 ( 0.000 0.000 13.485) 13.485 3.932 ( 0.000 0.000 -5.021) 5.021 4.043 ( 0.000 0.000 -0.389) 0.389 4.066 ( 0.000 0.000 -1.055) 1.055 4.209 ( 0.000 0.000 1.424) 1.424 4.265 ( 0.000 0.000 -1.127) 1.127 4.289 ( 0.000 0.000 -0.582) 0.582 4.364 ( 0.000 0.000 1.596) 1.596 4.441 ( 0.000 0.000 2.121) 2.121 4.448 ( 0.000 0.000 6.219) 6.219 4.764 ( 0.000 0.000 -5.414) 5.414 4.896 ( 0.000 0.000 1.504) 1.504 5.001 ( 0.000 0.000 -7.648) 7.648 5.264 ( 0.000 0.000 -3.159) 3.159 5.286 ( 0.000 0.000 -13.664) 13.664 5.332 ( 0.000 0.000 -4.340) 4.340 5.474 ( 0.000 0.000 -0.982) 0.982 5.481 ( 0.000 0.000 1.103) 1.103 5.563 ( 0.000 0.000 1.175) 1.175 5.566 ( 0.000 0.000 -0.827) 0.827 5.642 ( 0.000 0.000 -0.622) 0.622 5.823 ( 0.000 0.000 -5.754) 5.754 6.037 ( 0.000 0.000 -6.267) 6.267 6.160 ( 0.000 0.000 1.501) 1.501 6.241 ( 0.000 0.000 0.655) 0.655 6.503 ( 0.000 0.000 2.595) 2.595 6.575 ( 0.000 0.000 -1.185) 1.185 6.970 ( 0.000 0.000 6.311) 6.311 7.025 ( 0.000 0.000 0.737) 0.737 7.032 ( 0.000 0.000 0.261) 0.261 7.150 ( 0.000 0.000 2.721) 2.721 7.167 ( 0.000 0.000 -3.625) 3.625 7.171 ( 0.000 0.000 3.792) 3.792 7.286 ( 0.000 0.000 0.972) 0.972 7.379 ( 0.000 0.000 3.713) 3.713 7.422 ( 0.000 0.000 0.577) 0.577 7.522 ( 0.000 0.000 -0.220) 0.220 7.582 ( 0.000 0.000 0.038) 0.038 7.602 ( 0.000 0.000 -1.158) 1.158 7.817 ( 0.000 0.000 0.309) 0.309 7.870 ( 0.000 0.000 0.266) 0.266 7.874 ( 0.000 0.000 -1.021) 1.021 7.925 ( 0.000 0.000 -1.918) 1.918 8.371 ( 0.000 0.000 2.866) 2.866 8.567 ( 0.000 0.000 -1.741) 1.741 8.869 ( 0.000 0.000 2.332) 2.332 8.917 ( 0.000 0.000 0.403) 0.403 8.973 ( 0.000 0.000 -3.277) 3.277 9.090 ( 0.000 0.000 -2.836) 2.836 9.296 ( 0.000 0.000 7.015) 7.015 9.650 ( 0.000 0.000 1.058) 1.058 9.837 ( 0.000 0.000 3.362) 3.362 9.965 ( 0.000 0.000 1.053) 1.053 10.027 ( 0.000 0.000 -0.525) 0.525 10.108 ( 0.000 0.000 1.252) 1.252 10.218 ( 0.000 0.000 -1.180) 1.180 10.276 ( 0.000 0.000 -7.321) 7.321 10.525 ( 0.000 0.000 0.910) 0.910 10.610 ( 0.000 0.000 1.031) 1.031 10.646 ( 0.000 0.000 -1.711) 1.711 10.712 ( 0.000 0.000 -1.288) 1.288 11.460 ( 0.000 0.000 -1.629) 1.629 11.573 ( 0.000 0.000 -6.378) 6.378 11.670 ( 0.000 0.000 3.800) 3.800 11.773 ( 0.000 0.000 0.633) 0.633 11.979 ( 0.000 0.000 -0.696) 0.696 12.082 ( 0.000 0.000 5.323) 5.323 12.121 ( 0.000 0.000 -5.968) 5.968 12.367 ( 0.000 0.000 0.837) 0.837 12.598 ( 0.000 0.000 0.587) 0.587 12.762 ( 0.000 0.000 9.299) 9.299 12.845 ( 0.000 0.000 -6.179) 6.179 13.272 ( 0.000 0.000 -3.307) 3.307 15.460 ( 0.000 0.000 0.006) 0.006 15.476 ( 0.000 0.000 -0.262) 0.262 15.512 ( 0.000 0.000 0.801) 0.801 15.553 ( 0.000 0.000 0.194) 0.194 17.220 ( 0.000 0.000 11.376) 11.376 18.171 ( 0.000 0.000 -12.300) 12.300 18.243 ( 0.000 0.000 0.020) 0.020 18.244 ( 0.000 0.000 0.029) 0.029 18.245 ( 0.000 0.000 -0.021) 0.021 18.246 ( 0.000 0.000 -0.028) 0.028 18.922 ( 0.000 0.000 1.474) 1.474 19.143 ( 0.000 0.000 6.159) 6.159 19.173 ( 0.000 0.000 -5.138) 5.138 19.505 ( 0.000 0.000 -3.077) 3.077 20.163 ( 0.000 0.000 8.198) 8.198 20.621 ( 0.000 0.000 -3.526) 3.526 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 15.910 0.000 13.297) 20.735 0.679 ( 16.212 0.000 15.595) 22.495 1.308 ( 26.857 0.000 24.012) 36.026 1.381 ( -14.577 0.000 -0.650) 14.592 1.433 ( -11.530 0.000 8.083) 14.081 1.914 ( 0.189 0.000 -8.260) 8.262 2.036 ( 5.734 0.000 -4.585) 7.342 2.131 ( 2.953 0.000 -7.567) 8.123 2.194 ( -0.552 0.000 -6.258) 6.283 2.486 ( -5.560 0.000 0.192) 5.564 2.540 ( 1.181 0.000 -2.369) 2.647 2.677 ( -0.451 0.000 1.576) 1.639 2.780 ( -2.744 0.000 6.125) 6.711 2.838 ( -12.300 0.000 6.155) 13.754 2.839 ( 4.550 0.000 -1.899) 4.931 2.887 ( -4.185 0.000 9.437) 10.323 2.944 ( -10.800 0.000 14.583) 18.146 3.012 ( -3.007 0.000 -0.879) 3.133 3.420 ( 8.659 0.000 -6.424) 10.781 3.717 ( 4.685 0.000 3.977) 6.146 3.859 ( -2.381 0.000 1.064) 2.608 4.066 ( 2.155 0.000 -0.293) 2.174 4.099 ( 2.698 0.000 -1.404) 3.042 4.194 ( -1.272 0.000 1.548) 2.004 4.265 ( -2.359 0.000 -0.455) 2.402 4.330 ( -5.417 0.000 -0.434) 5.435 4.378 ( 3.635 0.000 -0.556) 3.677 4.480 ( 9.691 0.000 0.060) 9.691 4.601 ( 8.772 0.000 2.230) 9.051 4.781 ( -8.247 0.000 -1.148) 8.326 4.861 ( 1.260 0.000 -1.114) 1.682 5.004 ( 1.468 0.000 -7.025) 7.177 5.178 ( -4.407 0.000 -4.109) 6.025 5.288 ( 4.021 0.000 -15.889) 16.390 5.338 ( -3.585 0.000 -5.152) 6.276 5.449 ( -3.245 0.000 -6.190) 6.989 5.492 ( 1.032 0.000 1.117) 1.521 5.550 ( -1.242 0.000 1.133) 1.681 5.576 ( 1.012 0.000 -0.770) 1.272 5.630 ( -1.096 0.000 -0.660) 1.280 5.841 ( 2.843 0.000 -2.537) 3.810 6.021 ( -2.545 0.000 -3.091) 4.003 6.170 ( 1.088 0.000 0.308) 1.131 6.250 ( -0.327 0.000 -2.709) 2.728 6.586 ( 5.302 0.000 3.443) 6.322 6.660 ( 7.261 0.000 -0.219) 7.264 6.900 ( -6.852 0.000 8.976) 11.292 6.982 ( -0.466 0.000 4.924) 4.946 7.040 ( 0.888 0.000 0.717) 1.141 7.118 ( -2.374 0.000 2.330) 3.326 7.180 ( 0.587 0.000 3.977) 4.020 7.198 ( 2.416 0.000 -3.382) 4.156 7.283 ( -0.675 0.000 -0.326) 0.750 7.334 ( -4.321 0.000 2.071) 4.791 7.434 ( 1.348 0.000 0.190) 1.361 7.535 ( -0.999 0.000 0.509) 1.122 7.576 ( -0.019 0.000 0.267) 0.267 7.602 ( -0.339 0.000 -0.084) 0.349 7.827 ( 0.887 0.000 -0.073) 0.890 7.867 ( -0.694 0.000 -0.944) 1.172 7.879 ( 1.943 0.000 -0.154) 1.949 7.931 ( 0.290 0.000 -1.022) 1.062 8.393 ( 2.108 0.000 2.557) 3.314 8.526 ( -3.483 0.000 -0.263) 3.493 8.589 ( -6.307 0.000 9.451) 11.362 8.837 ( -7.466 0.000 -0.664) 7.496 8.914 ( 3.833 0.000 0.767) 3.908 9.065 ( -2.443 0.000 -2.454) 3.463 9.603 ( 4.889 0.000 -2.646) 5.559 9.777 ( -2.273 0.000 0.622) 2.357 9.904 ( 14.154 0.000 -8.667) 16.597 9.969 ( 0.469 0.000 1.030) 1.131 10.009 ( -1.354 0.000 0.265) 1.380 10.134 ( 2.025 0.000 0.352) 2.055 10.206 ( -1.106 0.000 -1.023) 1.507 10.230 ( -4.371 0.000 -7.735) 8.884 10.559 ( 2.271 0.000 0.414) 2.308 10.609 ( 0.491 0.000 -0.001) 0.491 10.679 ( 1.267 0.000 0.396) 1.328 10.697 ( -0.794 0.000 -0.329) 0.859 11.492 ( 1.162 0.000 -2.902) 3.125 11.541 ( -2.004 0.000 -5.148) 5.524 11.694 ( 3.476 0.000 2.697) 4.399 11.853 ( 5.291 0.000 -0.222) 5.296 11.928 ( -4.105 0.000 5.262) 6.674 12.024 ( -0.493 0.000 -0.137) 0.512 12.216 ( 4.150 0.000 -6.366) 7.599 12.374 ( -0.910 0.000 -1.636) 1.872 12.602 ( 0.602 0.000 1.844) 1.940 12.689 ( -3.939 0.000 9.080) 9.897 12.881 ( 3.508 0.000 -5.854) 6.825 13.188 ( -8.191 0.000 -4.508) 9.349 15.481 ( 0.499 0.000 -0.207) 0.540 15.490 ( 1.094 0.000 -1.222) 1.640 15.517 ( 0.890 0.000 0.367) 0.963 15.551 ( -0.275 0.000 0.044) 0.279 17.229 ( 1.146 0.000 14.076) 14.122 17.699 ( -38.859 0.000 42.572) 57.640 18.243 ( 0.011 0.000 0.021) 0.024 18.244 ( -0.012 0.000 0.028) 0.030 18.245 ( 0.022 0.000 -0.022) 0.031 18.246 ( -0.021 0.000 -0.027) 0.034 18.247 ( 7.811 0.000 -11.303) 13.739 18.831 ( -17.226 0.000 -7.331) 18.721 19.489 ( 17.126 0.000 7.637) 18.751 20.052 ( -6.817 0.000 5.993) 9.076 20.511 ( 24.037 0.000 -27.338) 36.402 20.667 ( 3.744 0.000 -6.067) 7.129 ======================= Grid point 77 (27/72) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -21.571 0.000 3.171) 21.803 1.015 ( 21.571 0.000 3.171) 21.803 1.040 ( -18.451 0.000 6.913) 19.703 1.040 ( 18.451 0.000 6.913) 19.703 1.860 ( -12.177 0.000 7.808) 14.465 1.860 ( 12.177 0.000 7.808) 14.465 2.143 ( -4.398 0.000 -7.964) 9.098 2.143 ( 4.398 0.000 -7.964) 9.098 2.239 ( -14.372 0.000 -3.321) 14.750 2.239 ( 14.372 0.000 -3.321) 14.750 2.607 ( -6.251 0.000 1.689) 6.475 2.607 ( 6.251 0.000 1.689) 6.475 2.711 ( -3.333 0.000 4.992) 6.003 2.711 ( 3.333 0.000 4.992) 6.003 2.847 ( -0.708 0.000 14.672) 14.689 2.847 ( 0.708 0.000 14.672) 14.689 2.934 ( -4.526 0.000 -1.276) 4.702 2.934 ( 4.526 0.000 -1.276) 4.702 3.597 ( -9.097 0.000 -4.981) 10.371 3.597 ( 9.097 0.000 -4.981) 10.371 4.103 ( -16.289 0.000 1.726) 16.380 4.103 ( 16.289 0.000 1.726) 16.380 4.114 ( -1.963 0.000 -0.675) 2.076 4.114 ( 1.963 0.000 -0.675) 2.076 4.205 ( -2.999 0.000 0.374) 3.023 4.205 ( 2.999 0.000 0.374) 3.023 4.475 ( -6.839 0.000 3.078) 7.500 4.475 ( 6.839 0.000 3.078) 7.500 4.703 ( -1.687 0.000 -1.263) 2.107 4.703 ( 1.687 0.000 -1.263) 2.107 4.972 ( -4.365 0.000 -6.106) 7.506 4.972 ( 4.365 0.000 -6.106) 7.506 5.186 ( -7.861 0.000 -2.027) 8.118 5.186 ( 7.861 0.000 -2.027) 8.118 5.383 ( -3.788 0.000 -13.840) 14.349 5.383 ( 3.788 0.000 -13.840) 14.349 5.519 ( -1.604 0.000 1.138) 1.966 5.519 ( 1.604 0.000 1.138) 1.966 5.603 ( -1.486 0.000 -0.732) 1.656 5.603 ( 1.486 0.000 -0.732) 1.656 5.932 ( -5.375 0.000 -0.586) 5.407 5.932 ( 5.375 0.000 -0.586) 5.407 6.216 ( -2.610 0.000 -2.484) 3.603 6.216 ( 2.610 0.000 -2.484) 3.603 6.689 ( -4.529 0.000 7.254) 8.551 6.689 ( 4.529 0.000 7.254) 8.551 6.904 ( -6.000 0.000 3.649) 7.023 6.904 ( 6.000 0.000 3.649) 7.023 7.071 ( -2.103 0.000 1.657) 2.677 7.071 ( 2.103 0.000 1.657) 2.677 7.237 ( -4.651 0.000 2.738) 5.397 7.237 ( 4.651 0.000 2.738) 5.397 7.250 ( -2.463 0.000 -2.506) 3.514 7.250 ( 2.463 0.000 -2.506) 3.514 7.481 ( -3.196 0.000 0.342) 3.214 7.481 ( 3.196 0.000 0.342) 3.214 7.587 ( -0.932 0.000 0.751) 1.197 7.587 ( 0.932 0.000 0.751) 1.197 7.848 ( -1.126 0.000 -0.648) 1.299 7.848 ( 1.126 0.000 -0.648) 1.299 7.922 ( -1.430 0.000 -0.211) 1.446 7.922 ( 1.430 0.000 -0.211) 1.446 8.451 ( -3.577 0.000 1.552) 3.899 8.451 ( 3.577 0.000 1.552) 3.899 8.657 ( -8.876 0.000 0.149) 8.877 8.657 ( 8.876 0.000 0.149) 8.877 8.998 ( -4.061 0.000 -1.255) 4.250 8.998 ( 4.061 0.000 -1.255) 4.250 9.692 ( -4.664 0.000 1.146) 4.803 9.692 ( 4.664 0.000 1.146) 4.803 9.984 ( -1.007 0.000 0.856) 1.322 9.984 ( 1.007 0.000 0.856) 1.322 10.112 ( -7.444 0.000 -8.714) 11.460 10.112 ( 7.444 0.000 -8.714) 11.460 10.175 ( -1.929 0.000 -0.532) 2.001 10.175 ( 1.929 0.000 -0.532) 2.001 10.600 ( -1.644 0.000 -0.063) 1.645 10.600 ( 1.644 0.000 -0.063) 1.645 10.690 ( -0.652 0.000 1.825) 1.938 10.690 ( 0.652 0.000 1.825) 1.938 11.509 ( -1.201 0.000 -4.045) 4.219 11.509 ( 1.201 0.000 -4.045) 4.219 11.791 ( -5.704 0.000 3.403) 6.642 11.791 ( 5.704 0.000 3.403) 6.642 11.992 ( -3.787 0.000 -0.019) 3.787 11.992 ( 3.787 0.000 -0.019) 3.787 12.305 ( -4.924 0.000 -4.755) 6.845 12.305 ( 4.924 0.000 -4.755) 6.845 12.631 ( -2.201 0.000 4.270) 4.804 12.631 ( 2.201 0.000 4.270) 4.804 13.002 ( -8.592 0.000 -4.371) 9.640 13.002 ( 8.592 0.000 -4.371) 9.640 15.491 ( -0.429 0.000 -0.182) 0.466 15.491 ( 0.429 0.000 -0.182) 0.466 15.540 ( -0.908 0.000 -0.330) 0.966 15.540 ( 0.908 0.000 -0.330) 0.966 17.302 ( -7.920 0.000 24.270) 25.530 17.302 ( 7.920 0.000 24.270) 25.530 18.243 ( -0.016 0.000 0.024) 0.029 18.243 ( 0.016 0.000 0.024) 0.029 18.245 ( -0.030 0.000 -0.024) 0.039 18.245 ( 0.030 0.000 -0.024) 0.039 18.490 ( -15.701 0.000 -9.950) 18.588 18.490 ( 15.701 0.000 -9.950) 18.588 19.822 ( -15.020 0.000 8.342) 17.181 19.822 ( 15.020 0.000 8.342) 17.181 20.710 ( -1.418 0.000 -13.229) 13.304 20.710 ( 1.418 0.000 -13.229) 13.304 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 16.388 17.691) 24.115 0.799 ( 0.000 15.577 22.439) 27.316 1.382 ( 0.000 44.653 18.388) 48.291 1.670 ( 0.000 4.327 6.571) 7.868 1.709 ( 0.000 11.156 -5.713) 12.534 1.906 ( 0.000 1.283 -9.155) 9.245 2.066 ( 0.000 2.785 -0.766) 2.888 2.296 ( 0.000 19.460 3.185) 19.719 2.392 ( 0.000 5.705 -9.420) 11.013 2.536 ( 0.000 4.035 -2.528) 4.762 2.634 ( 0.000 16.047 -3.019) 16.329 2.742 ( 0.000 -0.928 5.295) 5.376 2.835 ( 0.000 3.774 -5.757) 6.884 2.939 ( 0.000 14.716 3.142) 15.047 2.952 ( 0.000 -2.063 16.727) 16.854 3.093 ( 0.000 15.284 2.175) 15.438 3.113 ( 0.000 12.970 0.841) 12.998 3.248 ( 0.000 18.156 -0.143) 18.156 3.314 ( 0.000 3.318 -3.435) 4.776 3.625 ( 0.000 -0.184 8.753) 8.755 3.890 ( 0.000 -3.221 -6.288) 7.065 4.031 ( 0.000 -4.467 -1.421) 4.688 4.178 ( 0.000 8.330 0.736) 8.363 4.254 ( 0.000 -1.365 2.577) 2.916 4.272 ( 0.000 0.734 -0.416) 0.843 4.360 ( 0.000 -3.555 0.994) 3.692 4.388 ( 0.000 3.207 -6.150) 6.936 4.451 ( 0.000 1.770 4.770) 5.087 4.518 ( 0.000 5.851 3.584) 6.862 4.837 ( 0.000 12.076 -2.106) 12.258 4.903 ( 0.000 3.725 0.843) 3.820 4.914 ( 0.000 -7.862 -4.344) 8.982 5.077 ( 0.000 -10.954 -3.017) 11.362 5.189 ( 0.000 -7.799 2.663) 8.241 5.237 ( 0.000 -3.880 -9.451) 10.216 5.387 ( 0.000 -6.186 -3.212) 6.970 5.502 ( 0.000 0.022 -1.809) 1.809 5.573 ( 0.000 0.535 1.128) 1.249 5.624 ( 0.000 3.799 -1.271) 4.006 5.697 ( 0.000 3.131 -5.294) 6.151 5.820 ( 0.000 0.591 -3.513) 3.562 6.030 ( 0.000 0.579 -5.818) 5.846 6.193 ( 0.000 -2.786 4.158) 5.005 6.196 ( 0.000 3.769 -0.198) 3.774 6.445 ( 0.000 -4.916 3.283) 5.911 6.507 ( 0.000 -5.656 -0.995) 5.743 6.719 ( 0.000 -9.584 9.915) 13.790 6.829 ( 0.000 -8.545 3.056) 9.075 7.024 ( 0.000 -8.326 1.688) 8.495 7.075 ( 0.000 -6.582 -0.196) 6.585 7.155 ( 0.000 -7.688 2.702) 8.149 7.189 ( 0.000 1.204 -0.879) 1.491 7.440 ( 0.000 16.956 1.352) 17.009 7.526 ( 0.000 7.469 1.068) 7.545 7.535 ( 0.000 12.824 3.452) 13.280 7.577 ( 0.000 13.112 -1.897) 13.248 7.711 ( 0.000 7.510 -1.082) 7.587 7.816 ( 0.000 -2.390 -2.178) 3.234 7.853 ( 0.000 8.321 -4.201) 9.321 7.874 ( 0.000 7.867 -4.529) 9.077 8.027 ( 0.000 14.717 0.622) 14.730 8.027 ( 0.000 12.461 0.442) 12.469 8.520 ( 0.000 -13.570 8.276) 15.895 8.527 ( 0.000 13.539 2.128) 13.705 8.623 ( 0.000 5.262 0.216) 5.266 8.659 ( 0.000 -8.402 -0.243) 8.406 9.084 ( 0.000 -1.249 5.306) 5.451 9.261 ( 0.000 3.040 3.055) 4.309 9.387 ( 0.000 14.057 2.653) 14.305 9.682 ( 0.000 6.891 -2.636) 7.377 9.808 ( 0.000 1.753 1.941) 2.615 9.853 ( 0.000 -4.402 -0.665) 4.452 10.332 ( 0.000 22.601 0.753) 22.614 10.433 ( 0.000 21.642 -0.080) 21.642 10.537 ( 0.000 3.195 3.018) 4.395 10.540 ( 0.000 5.087 -3.234) 6.028 10.606 ( 0.000 1.428 0.282) 1.455 10.647 ( 0.000 7.884 -4.932) 9.299 10.760 ( 0.000 17.261 -1.085) 17.295 11.112 ( 0.000 34.618 -31.900) 47.075 11.446 ( 0.000 -1.426 -1.335) 1.953 11.589 ( 0.000 1.560 -7.033) 7.203 11.660 ( 0.000 -0.831 3.649) 3.743 11.771 ( 0.000 -0.015 0.682) 0.682 11.984 ( 0.000 -1.079 -2.939) 3.131 12.115 ( 0.000 -0.636 -6.125) 6.158 12.189 ( 0.000 12.983 -6.551) 14.542 12.353 ( 0.000 -1.336 1.301) 1.865 12.582 ( 0.000 -0.971 -0.658) 1.173 12.741 ( 0.000 -1.808 8.312) 8.507 12.818 ( 0.000 -2.746 -6.155) 6.739 13.229 ( 0.000 -4.321 -3.118) 5.329 15.253 ( 0.000 -19.435 0.033) 19.435 15.283 ( 0.000 -16.013 -2.338) 16.183 15.292 ( 0.000 -19.862 -0.311) 19.864 15.308 ( 0.000 -22.544 -0.045) 22.544 17.192 ( 0.000 -2.621 11.333) 11.632 17.713 ( 0.000 -26.917 36.540) 45.384 18.112 ( 0.000 -4.948 -11.060) 12.116 18.373 ( 0.000 9.909 -2.468) 10.212 18.411 ( 0.000 14.728 0.046) 14.728 18.445 ( 0.000 16.792 -0.794) 16.810 18.911 ( 0.000 -1.977 1.057) 2.242 19.072 ( 0.000 -4.710 8.517) 9.733 19.153 ( 0.000 -2.081 -4.383) 4.852 19.768 ( 0.000 11.310 -16.842) 20.287 20.100 ( 0.000 -5.685 7.008) 9.024 20.510 ( 0.000 -10.853 -3.271) 11.335 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.25 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 12.501 15.403 10.034) 22.231 1.052 ( 15.621 18.098 14.152) 27.782 1.451 ( -13.765 8.006 1.830) 16.029 1.605 ( 0.178 18.318 9.653) 20.706 1.610 ( 7.182 24.062 10.741) 27.311 1.946 ( 2.747 4.163 -8.661) 9.995 2.106 ( 2.406 2.915 -4.720) 6.047 2.319 ( 0.365 9.190 -6.409) 11.210 2.427 ( 2.536 15.113 -1.394) 15.387 2.495 ( -2.115 3.077 -2.155) 4.311 2.613 ( -2.489 12.213 -1.093) 12.512 2.711 ( -5.383 -1.272 2.356) 6.012 2.776 ( -2.292 -1.457 3.601) 4.510 2.906 ( -0.637 10.168 8.875) 13.511 2.941 ( -4.227 12.907 5.783) 14.761 3.018 ( -6.651 19.257 4.469) 20.858 3.099 ( 1.247 15.488 2.830) 15.793 3.215 ( -3.003 17.598 0.267) 17.855 3.430 ( 7.687 2.050 -5.901) 9.905 3.658 ( 2.804 -3.527 3.836) 5.917 3.813 ( -2.528 -2.329 -0.691) 3.506 4.042 ( -0.247 -4.687 -0.380) 4.709 4.215 ( 2.926 9.015 -0.001) 9.478 4.282 ( 2.512 0.467 -0.177) 2.561 4.316 ( -1.436 0.969 -2.971) 3.440 4.372 ( 2.655 4.789 2.444) 5.996 4.396 ( -0.354 2.156 0.625) 2.272 4.498 ( 7.654 -0.193 -0.179) 7.658 4.603 ( 6.320 0.410 2.439) 6.786 4.773 ( -12.313 -1.689 -0.526) 12.439 4.857 ( 1.856 6.068 -2.102) 6.684 4.959 ( 1.174 0.221 -3.015) 3.243 5.047 ( -1.638 -11.353 -2.507) 11.742 5.156 ( 1.607 -6.541 -6.973) 9.695 5.242 ( -2.253 -6.623 -3.667) 7.899 5.333 ( -4.939 -8.989 -6.024) 11.894 5.504 ( 0.575 -0.087 -0.848) 1.028 5.559 ( -1.276 0.043 0.951) 1.592 5.631 ( 0.715 3.963 -1.340) 4.245 5.683 ( -1.301 4.145 -3.894) 5.834 5.845 ( 2.729 0.715 -1.946) 3.427 6.010 ( -2.810 -0.135 -3.201) 4.262 6.154 ( 0.253 -1.152 0.973) 1.529 6.224 ( -0.076 -0.146 -1.327) 1.338 6.508 ( 3.970 -6.863 4.343) 9.041 6.615 ( 9.069 -3.714 -0.384) 9.808 6.657 ( -3.857 -9.802 9.452) 14.152 6.858 ( 0.464 -7.086 1.289) 7.217 7.026 ( 0.649 -7.971 1.267) 8.097 7.055 ( -1.352 -6.206 0.253) 6.357 7.165 ( 0.169 -4.560 0.226) 4.568 7.193 ( -0.606 -4.740 1.001) 4.883 7.433 ( 0.584 14.897 2.485) 15.114 7.504 ( -1.650 14.271 0.755) 14.386 7.569 ( 1.326 13.708 0.590) 13.785 7.613 ( 3.593 10.531 -0.204) 11.129 7.694 ( -1.584 6.208 -1.220) 6.522 7.775 ( -3.927 5.500 -4.352) 8.038 7.830 ( -0.198 3.163 1.681) 3.588 7.896 ( 0.199 7.529 -0.707) 7.565 8.011 ( 0.808 13.565 -1.336) 13.655 8.055 ( 0.592 13.094 -0.421) 13.114 8.471 ( -0.490 -5.571 4.753) 7.339 8.538 ( 0.991 10.997 2.296) 11.278 8.582 ( -2.836 3.700 0.970) 4.761 8.662 ( -1.483 -5.789 -0.985) 6.057 9.107 ( 0.987 2.525 1.695) 3.198 9.182 ( -4.201 6.791 -0.480) 7.999 9.525 ( 9.015 -0.110 4.286) 9.983 9.716 ( 2.770 6.756 -1.369) 7.429 9.788 ( -2.192 1.714 2.061) 3.463 9.826 ( -2.658 -3.955 0.204) 4.770 10.327 ( 0.174 21.452 -0.466) 21.458 10.407 ( -2.363 20.129 -0.660) 20.278 10.495 ( -1.382 7.394 -2.271) 7.857 10.553 ( -2.584 3.822 -3.083) 5.549 10.595 ( 1.144 6.317 1.322) 6.554 10.644 ( -0.580 3.778 -2.244) 4.432 10.795 ( 3.273 20.037 -0.369) 20.305 11.005 ( -7.281 30.867 -15.890) 35.472 11.481 ( 1.491 -0.894 -3.443) 3.857 11.558 ( -2.313 1.987 -6.899) 7.543 11.698 ( 4.250 0.745 2.928) 5.214 11.847 ( 6.181 -0.795 0.124) 6.233 11.974 ( -5.773 5.115 -1.085) 7.789 12.001 ( -2.543 -1.384 1.583) 3.300 12.224 ( 2.575 1.282 -6.383) 7.001 12.371 ( -0.676 0.022 -1.939) 2.053 12.582 ( 0.264 -1.647 1.153) 2.027 12.665 ( -3.974 -2.289 8.893) 10.006 12.851 ( 3.290 -2.877 -5.757) 7.228 13.145 ( -7.943 -4.193 -4.038) 9.848 15.262 ( 0.628 -20.567 0.210) 20.577 15.286 ( -0.495 -20.495 -0.030) 20.501 15.295 ( 0.873 -17.563 -2.226) 17.725 15.310 ( 0.072 -21.528 -0.492) 21.534 17.199 ( 0.865 -2.765 13.654) 13.958 17.458 ( -16.176 -13.027 34.458) 40.233 18.177 ( 6.619 -4.950 -9.955) 12.939 18.374 ( -0.138 9.797 -2.851) 10.204 18.413 ( 0.320 14.451 0.019) 14.454 18.450 ( 0.379 16.415 -1.028) 16.451 18.618 ( -10.334 21.662 1.014) 24.022 18.792 ( -15.032 -1.932 -2.903) 15.432 19.441 ( 16.667 -4.409 6.619) 18.467 19.999 ( -7.208 -5.078 5.308) 10.292 20.296 ( 22.244 -16.200 -17.147) 32.423 20.539 ( 2.061 -12.139 -5.262) 13.390 ======================= Grid point 82 (30/72) ======================= q-point: (-0.50 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -18.329 9.687 3.054) 20.955 1.106 ( 18.329 9.687 3.054) 20.955 1.349 ( -13.983 19.592 7.629) 25.250 1.349 ( 13.983 19.592 7.629) 25.250 1.959 ( -6.059 11.148 2.411) 12.915 1.959 ( 6.059 11.148 2.411) 12.915 2.193 ( -11.119 1.352 -5.748) 12.590 2.193 ( 11.119 1.352 -5.748) 12.590 2.480 ( -5.181 19.398 -3.052) 20.309 2.480 ( 5.181 19.398 -3.052) 20.309 2.580 ( -4.347 -2.130 2.319) 5.368 2.580 ( 4.347 -2.130 2.319) 5.368 2.795 ( -3.812 5.414 9.193) 11.330 2.795 ( 3.812 5.414 9.193) 11.330 2.948 ( -2.406 19.446 5.125) 20.253 2.948 ( 2.406 19.446 5.125) 20.253 3.148 ( -3.249 16.753 1.134) 17.103 3.148 ( 3.249 16.753 1.134) 17.103 3.574 ( -7.141 -1.109 -4.486) 8.505 3.574 ( 7.141 -1.109 -4.486) 8.505 3.954 ( -9.227 -6.424 2.118) 11.441 3.954 ( 9.227 -6.424 2.118) 11.441 4.277 ( -2.952 7.938 -1.283) 8.566 4.277 ( 2.952 7.938 -1.283) 8.566 4.332 ( -3.209 4.844 0.110) 5.812 4.332 ( 3.209 4.844 0.110) 5.812 4.498 ( -9.119 3.572 1.883) 9.973 4.498 ( 9.119 3.572 1.883) 9.973 4.668 ( -1.978 -3.139 0.364) 3.728 4.668 ( 1.978 -3.139 0.364) 3.728 4.904 ( -3.478 -2.838 -4.311) 6.224 4.904 ( 3.478 -2.838 -4.311) 6.224 5.114 ( -7.458 -4.557 -1.168) 8.818 5.114 ( 7.458 -4.557 -1.168) 8.818 5.242 ( -4.233 -10.336 -9.452) 14.632 5.242 ( 4.233 -10.336 -9.452) 14.632 5.528 ( -1.621 -0.412 0.408) 1.722 5.528 ( 1.621 -0.412 0.408) 1.722 5.653 ( -1.417 4.151 -2.182) 4.899 5.653 ( 1.417 4.151 -2.182) 4.899 5.924 ( -4.752 -0.156 -0.972) 4.853 5.924 ( 4.752 -0.156 -0.972) 4.853 6.195 ( -2.483 -0.517 -1.878) 3.156 6.195 ( 2.483 -0.517 -1.878) 3.156 6.582 ( -3.446 -8.414 7.638) 11.874 6.582 ( 3.446 -8.414 7.638) 11.874 6.791 ( -6.951 -4.932 0.408) 8.533 6.791 ( 6.951 -4.932 0.408) 8.533 7.045 ( -0.671 -8.467 0.795) 8.530 7.045 ( 0.671 -8.467 0.795) 8.530 7.166 ( -1.153 -3.500 -0.319) 3.699 7.166 ( 1.153 -3.500 -0.319) 3.699 7.460 ( -2.075 15.438 1.608) 15.659 7.460 ( 2.075 15.438 1.608) 15.659 7.625 ( -3.107 12.429 1.199) 12.867 7.625 ( 3.107 12.429 1.199) 12.867 7.696 ( -2.906 5.975 -3.071) 7.320 7.696 ( 2.906 5.975 -3.071) 7.320 7.863 ( -2.584 5.674 2.848) 6.854 7.863 ( 2.584 5.674 2.848) 6.854 8.045 ( -1.558 12.506 -1.861) 12.740 8.045 ( 1.558 12.506 -1.861) 12.740 8.523 ( -3.349 1.124 0.976) 3.665 8.523 ( 3.349 1.124 0.976) 3.665 8.588 ( -4.482 1.522 0.105) 4.735 8.588 ( 4.482 1.522 0.105) 4.735 9.125 ( -1.554 5.940 -0.806) 6.193 9.125 ( 1.554 5.940 -0.806) 6.193 9.690 ( -7.045 -3.976 3.136) 8.676 9.690 ( 7.045 -3.976 3.136) 8.676 9.774 ( -2.442 3.813 0.338) 4.540 9.774 ( 2.442 3.813 0.338) 4.540 10.354 ( -2.418 19.676 -1.474) 19.879 10.354 ( 2.418 19.676 -1.474) 19.879 10.498 ( -1.786 8.161 -3.877) 9.210 10.498 ( 1.786 8.161 -3.877) 9.210 10.624 ( -1.317 4.567 0.427) 4.773 10.624 ( 1.317 4.567 0.427) 4.773 10.880 ( -5.146 23.658 -2.580) 24.348 10.880 ( 5.146 23.658 -2.580) 24.348 11.513 ( -2.039 0.770 -5.441) 5.862 11.513 ( 2.039 0.770 -5.441) 5.862 11.813 ( -6.908 3.011 3.337) 8.241 11.813 ( 6.908 3.011 3.337) 8.241 11.968 ( -3.490 -2.378 0.010) 4.223 11.968 ( 3.490 -2.378 0.010) 4.223 12.303 ( -4.895 -0.190 -4.521) 6.666 12.303 ( 4.895 -0.190 -4.521) 6.666 12.608 ( -2.189 -2.139 3.971) 5.014 12.608 ( 2.189 -2.139 3.971) 5.014 12.967 ( -8.228 -3.511 -4.133) 9.854 12.967 ( 8.228 -3.511 -4.133) 9.854 15.275 ( -0.631 -20.831 0.205) 20.841 15.275 ( 0.631 -20.831 0.205) 20.841 15.308 ( -0.355 -19.990 -1.266) 20.034 15.308 ( 0.355 -19.990 -1.266) 20.034 17.249 ( -5.217 -4.157 21.605) 22.611 17.249 ( 5.217 -4.157 21.605) 22.611 18.336 ( -5.755 1.226 -6.824) 9.010 18.336 ( 5.755 1.226 -6.824) 9.010 18.437 ( -2.303 12.315 -1.569) 12.626 18.437 ( 2.303 12.315 -1.569) 12.626 18.556 ( -4.765 15.086 -0.456) 15.827 18.556 ( 4.765 15.086 -0.456) 15.827 19.767 ( -14.834 -5.251 7.457) 17.414 19.767 ( 14.834 -5.251 7.457) 17.414 20.537 ( -3.957 -15.560 -10.800) 19.349 20.537 ( 3.957 -15.560 -10.800) 19.349 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.000 21.943 9.570) 23.939 1.146 ( 0.000 19.793 13.819) 24.140 1.788 ( 0.000 7.269 2.005) 7.541 1.882 ( 0.000 6.397 -3.261) 7.180 1.952 ( 0.000 4.509 -2.069) 4.961 2.138 ( 0.000 25.139 6.407) 25.943 2.141 ( 0.000 4.225 1.298) 4.419 2.387 ( 0.000 1.217 -0.489) 1.312 2.390 ( 0.000 -3.998 -5.470) 6.776 2.729 ( 0.000 -7.880 -6.173) 10.010 2.759 ( 0.000 6.044 6.837) 9.125 2.778 ( 0.000 7.136 5.200) 8.830 2.861 ( 0.000 2.064 1.639) 2.636 3.142 ( 0.000 19.731 4.231) 20.179 3.331 ( 0.000 7.741 -0.134) 7.742 3.398 ( 0.000 21.201 -5.520) 21.908 3.447 ( 0.000 18.387 0.661) 18.399 3.615 ( 0.000 22.523 1.906) 22.604 3.642 ( 0.000 13.768 -0.094) 13.768 3.701 ( 0.000 8.645 -0.903) 8.692 3.825 ( 0.000 -2.458 -4.819) 5.410 3.926 ( 0.000 -2.165 -3.340) 3.980 4.119 ( 0.000 -8.010 1.998) 8.255 4.205 ( 0.000 -11.590 -0.975) 11.631 4.222 ( 0.000 -7.132 2.128) 7.443 4.373 ( 0.000 1.021 -1.443) 1.768 4.382 ( 0.000 7.291 3.309) 8.007 4.489 ( 0.000 -3.407 4.432) 5.590 4.499 ( 0.000 3.950 7.113) 8.136 4.728 ( 0.000 -9.807 -1.601) 9.936 4.931 ( 0.000 -8.424 -3.103) 8.977 5.055 ( 0.000 6.156 -0.127) 6.157 5.150 ( 0.000 15.583 -1.679) 15.673 5.227 ( 0.000 -2.337 3.283) 4.030 5.264 ( 0.000 1.837 -12.676) 12.809 5.283 ( 0.000 17.210 2.459) 17.385 5.514 ( 0.000 2.183 -3.164) 3.844 5.593 ( 0.000 4.199 0.842) 4.283 5.663 ( 0.000 1.759 -1.866) 2.564 5.771 ( 0.000 5.580 -9.648) 11.145 5.880 ( 0.000 6.087 0.072) 6.088 6.072 ( 0.000 1.711 -3.686) 4.064 6.196 ( 0.000 3.973 3.679) 5.415 6.285 ( 0.000 2.941 0.866) 3.065 6.365 ( 0.000 -0.488 0.364) 0.609 6.406 ( 0.000 -2.562 -1.178) 2.820 6.588 ( 0.000 -4.911 6.640) 8.259 6.701 ( 0.000 -4.324 0.576) 4.362 6.890 ( 0.000 -4.959 0.617) 4.997 6.922 ( 0.000 -7.873 1.733) 8.061 7.008 ( 0.000 -8.232 1.314) 8.336 7.143 ( 0.000 -4.200 -2.197) 4.740 7.567 ( 0.000 -2.220 3.266) 3.949 7.711 ( 0.000 1.809 0.006) 1.809 7.783 ( 0.000 14.631 0.993) 14.665 7.860 ( 0.000 19.702 1.855) 19.789 7.907 ( 0.000 16.315 0.361) 16.319 7.979 ( 0.000 12.515 -3.597) 13.022 8.047 ( 0.000 14.491 -4.980) 15.323 8.123 ( 0.000 13.766 -4.728) 14.555 8.281 ( 0.000 6.313 1.345) 6.454 8.299 ( 0.000 9.931 2.429) 10.223 8.399 ( 0.000 4.840 2.981) 5.684 8.617 ( 0.000 7.183 -1.729) 7.389 8.762 ( 0.000 8.899 2.555) 9.259 8.818 ( 0.000 13.887 0.197) 13.889 8.977 ( 0.000 -5.005 3.475) 6.093 9.130 ( 0.000 -12.760 -0.149) 12.761 9.693 ( 0.000 14.373 2.038) 14.516 9.888 ( 0.000 12.562 -2.078) 12.732 9.918 ( 0.000 8.487 3.697) 9.257 10.036 ( 0.000 17.695 1.583) 17.765 10.461 ( 0.000 -1.729 1.385) 2.216 10.535 ( 0.000 -2.024 0.189) 2.033 10.566 ( 0.000 -0.184 -1.151) 1.166 10.649 ( 0.000 -0.713 -2.921) 3.007 11.089 ( 0.000 37.201 2.025) 37.257 11.108 ( 0.000 41.793 1.419) 41.817 11.259 ( 0.000 16.917 -0.762) 16.934 11.415 ( 0.000 0.439 -0.904) 1.005 11.456 ( 0.000 14.389 -8.522) 16.723 11.612 ( 0.000 2.518 -3.530) 4.336 11.668 ( 0.000 4.555 3.342) 5.649 11.789 ( 0.000 3.711 1.082) 3.866 11.937 ( 0.000 -3.057 -0.776) 3.153 12.099 ( 0.000 -0.715 -6.402) 6.442 12.324 ( 0.000 -1.025 2.939) 3.112 12.409 ( 0.000 4.333 -3.505) 5.573 12.609 ( 0.000 1.649 0.731) 1.804 12.745 ( 0.000 -4.373 -5.987) 7.414 12.762 ( 0.000 9.571 -7.315) 12.046 13.112 ( 0.000 -7.248 -2.562) 7.687 14.780 ( 0.000 -29.357 -0.008) 29.357 14.787 ( 0.000 -26.485 0.232) 26.486 14.826 ( 0.000 -26.065 -1.360) 26.100 14.953 ( 0.000 -16.921 -9.804) 19.556 17.131 ( 0.000 -3.369 11.014) 11.518 17.353 ( 0.000 -12.579 31.706) 34.111 17.980 ( 0.000 -8.422 -10.169) 13.204 18.468 ( 0.000 -4.769 -8.217) 9.501 18.668 ( 0.000 -1.423 -1.123) 1.813 18.699 ( 0.000 12.083 -0.913) 12.117 18.910 ( 0.000 11.309 5.588) 12.615 19.104 ( 0.000 -2.558 -1.268) 2.855 19.115 ( 0.000 8.201 8.652) 11.922 19.883 ( 0.000 1.513 -11.558) 11.657 19.969 ( 0.000 -7.149 3.619) 8.013 20.233 ( 0.000 -16.413 -2.585) 16.616 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 8.000 20.957 5.739) 23.155 1.337 ( 14.166 14.547 12.440) 23.813 1.625 ( -11.567 10.144 0.474) 15.392 1.800 ( -7.397 7.011 5.017) 11.360 2.049 ( 6.682 5.232 -6.546) 10.718 2.147 ( 3.445 12.959 1.429) 13.485 2.226 ( 1.668 12.442 0.529) 12.565 2.334 ( -2.579 -2.344 -5.213) 6.270 2.434 ( 2.845 -3.324 0.676) 4.427 2.663 ( -5.687 2.131 2.166) 6.448 2.700 ( -4.303 0.026 3.333) 5.443 2.721 ( -3.462 2.102 -1.527) 4.329 2.939 ( 6.529 10.849 5.311) 13.731 3.165 ( 1.322 19.170 2.581) 19.388 3.347 ( -1.225 8.683 -0.621) 8.791 3.412 ( -3.437 13.192 1.464) 13.710 3.422 ( 1.627 21.733 2.269) 21.911 3.590 ( -3.158 19.215 0.060) 19.473 3.633 ( 2.224 17.182 -2.020) 17.443 3.712 ( 0.733 10.687 -1.811) 10.864 3.788 ( -1.066 -0.278 -1.684) 2.012 3.935 ( -0.422 -3.442 -3.071) 4.632 4.181 ( 5.346 -8.374 0.668) 9.958 4.220 ( 1.064 -7.999 1.583) 8.224 4.252 ( 2.098 -14.167 -0.103) 14.322 4.352 ( -1.129 1.073 0.051) 1.559 4.456 ( 2.574 -0.062 3.767) 4.563 4.490 ( 4.487 2.701 2.783) 5.931 4.529 ( 0.944 -2.035 2.215) 3.153 4.684 ( -3.598 -4.979 -0.145) 6.145 4.910 ( -1.425 -6.957 -3.992) 8.147 5.041 ( -3.018 0.602 -3.085) 4.357 5.145 ( -0.482 12.477 -2.861) 12.810 5.166 ( -4.243 -1.821 -5.144) 6.912 5.260 ( 0.458 16.664 0.380) 16.675 5.278 ( 0.095 16.627 2.542) 16.821 5.492 ( -1.289 -1.066 -2.007) 2.613 5.551 ( -2.795 2.433 -0.110) 3.707 5.701 ( 2.435 4.137 -1.964) 5.186 5.793 ( -0.071 7.984 -7.485) 10.944 5.892 ( 1.558 4.822 -0.905) 5.148 6.026 ( -3.850 1.345 -2.186) 4.627 6.174 ( 0.394 4.438 0.722) 4.513 6.266 ( -1.322 3.482 -2.349) 4.404 6.364 ( 2.520 -6.656 4.672) 8.513 6.513 ( -4.215 -5.828 5.918) 9.314 6.565 ( 8.560 -0.477 -1.021) 8.634 6.747 ( 1.835 -4.193 -0.111) 4.578 6.878 ( -0.332 -6.385 1.108) 6.489 6.933 ( -1.359 -6.833 -0.155) 6.969 7.000 ( 1.408 -8.217 2.757) 8.781 7.119 ( -2.550 -4.370 -0.167) 5.062 7.565 ( 0.659 -1.909 2.197) 2.984 7.679 ( -3.271 0.419 0.328) 3.314 7.802 ( 1.507 14.551 -0.349) 14.633 7.867 ( 0.205 15.247 0.290) 15.251 7.905 ( -0.393 18.607 -2.436) 18.770 7.958 ( -0.871 10.440 -2.507) 10.772 8.075 ( 1.539 18.229 2.277) 18.435 8.138 ( 1.174 13.027 -3.465) 13.531 8.287 ( 1.408 11.357 -0.992) 11.487 8.309 ( 1.421 6.874 0.553) 7.041 8.424 ( 1.496 6.945 1.442) 7.249 8.586 ( -3.384 6.119 -2.030) 7.281 8.762 ( 0.243 9.875 2.532) 10.198 8.805 ( -1.192 13.694 0.609) 13.759 9.008 ( 2.893 -7.353 2.623) 8.326 9.114 ( -1.503 -10.281 -0.177) 10.391 9.707 ( 1.703 12.816 3.073) 13.289 9.871 ( -4.336 8.647 3.841) 10.408 9.923 ( 3.043 12.829 -1.837) 13.313 10.027 ( -1.102 16.630 0.859) 16.688 10.466 ( 0.537 -1.397 0.797) 1.696 10.513 ( -1.639 -1.737 0.184) 2.395 10.563 ( -0.211 0.293 -1.455) 1.499 10.619 ( -2.490 0.337 -2.619) 3.629 11.095 ( 0.531 36.336 2.325) 36.414 11.111 ( 0.110 40.218 1.647) 40.252 11.249 ( -0.246 15.167 -0.216) 15.171 11.342 ( -4.411 7.224 -1.234) 8.554 11.516 ( 3.222 8.153 -6.669) 11.015 11.600 ( -0.979 2.318 -4.368) 5.041 11.775 ( 9.287 10.479 1.677) 14.102 11.835 ( 3.911 1.918 1.379) 4.569 11.935 ( -0.470 -3.462 -0.195) 3.499 12.113 ( 0.250 4.034 -5.610) 6.915 12.284 ( -2.968 3.164 -1.090) 4.473 12.412 ( -1.520 3.911 -2.772) 5.029 12.598 ( -1.818 4.119 -3.694) 5.824 12.615 ( -7.269 0.971 4.659) 8.688 12.785 ( 2.445 -2.423 -5.743) 6.696 13.035 ( -7.187 -6.659 -3.275) 10.330 14.778 ( -0.192 -28.821 0.002) 28.822 14.782 ( -0.367 -26.974 0.138) 26.977 14.837 ( 1.036 -25.623 -1.634) 25.696 14.917 ( -2.793 -19.624 -6.546) 20.875 17.135 ( 0.540 -3.504 12.712) 13.198 17.260 ( -6.482 -8.043 26.055) 28.028 18.041 ( 6.062 -8.883 -9.573) 14.397 18.403 ( -7.223 -9.614 -10.252) 15.802 18.667 ( 0.783 5.445 0.763) 5.554 18.701 ( -0.163 12.044 -0.558) 12.058 18.902 ( -0.040 15.376 4.175) 15.933 18.982 ( -4.357 12.990 2.229) 13.881 19.343 ( 14.124 -4.735 5.679) 15.942 19.872 ( -8.672 -7.523 3.772) 12.084 20.033 ( 10.742 -9.916 -10.170) 17.809 20.245 ( 0.239 -16.525 -4.129) 17.035 ======================= Grid point 87 (33/72) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -12.567 15.600 2.411) 20.177 1.363 ( 12.567 15.600 2.411) 20.177 1.618 ( -11.187 10.158 8.342) 17.260 1.618 ( 11.187 10.158 8.342) 17.260 2.166 ( -4.538 6.071 -5.239) 9.214 2.166 ( 4.538 6.071 -5.239) 9.214 2.258 ( -5.021 4.255 -3.050) 7.254 2.258 ( 5.021 4.255 -3.050) 7.254 2.530 ( -6.325 -1.797 3.499) 7.448 2.530 ( 6.325 -1.797 3.499) 7.448 2.669 ( -1.303 3.391 0.011) 3.633 2.669 ( 1.303 3.391 0.011) 3.633 3.101 ( -8.266 18.698 6.103) 21.336 3.101 ( 8.266 18.698 6.103) 21.336 3.326 ( -1.470 10.857 1.092) 11.011 3.326 ( 1.470 10.857 1.092) 11.011 3.508 ( -4.475 18.771 1.963) 19.397 3.508 ( 4.475 18.771 1.963) 19.397 3.680 ( -2.386 13.767 -3.108) 14.314 3.680 ( 2.386 13.767 -3.108) 14.314 3.871 ( -5.786 -1.385 -1.431) 6.119 3.871 ( 5.786 -1.385 -1.431) 6.119 4.256 ( -1.561 -11.938 1.104) 12.090 4.256 ( 1.561 -11.938 1.104) 12.090 4.293 ( -4.904 -5.057 -0.392) 7.056 4.293 ( 4.904 -5.057 -0.392) 7.056 4.498 ( -3.052 -5.801 1.366) 6.695 4.498 ( 3.052 -5.801 1.366) 6.695 4.616 ( -4.452 3.189 1.497) 5.677 4.616 ( 4.452 3.189 1.497) 5.677 4.929 ( -4.676 -5.408 -4.772) 8.595 4.929 ( 4.676 -5.408 -4.772) 8.595 5.138 ( -0.337 7.603 -4.283) 8.733 5.138 ( 0.337 7.603 -4.283) 8.733 5.274 ( -1.002 20.682 2.146) 20.817 5.274 ( 1.002 20.682 2.146) 20.817 5.498 ( -2.039 -1.634 -0.101) 2.615 5.498 ( 2.039 -1.634 -0.101) 2.615 5.753 ( -2.797 7.051 -3.329) 8.284 5.753 ( 2.797 7.051 -3.329) 8.284 5.947 ( -3.647 3.004 -2.043) 5.147 5.947 ( 3.647 3.004 -2.043) 5.147 6.224 ( -3.110 3.112 -2.269) 4.950 6.224 ( 3.110 3.112 -2.269) 4.950 6.428 ( -3.747 -6.470 5.896) 9.522 6.428 ( 3.747 -6.470 5.896) 9.522 6.715 ( -5.241 -3.063 -1.157) 6.180 6.715 ( 5.241 -3.063 -1.157) 6.180 6.891 ( -1.552 -7.207 1.192) 7.469 6.891 ( 1.552 -7.207 1.192) 7.469 7.055 ( -3.257 -5.841 1.524) 6.859 7.055 ( 3.257 -5.841 1.524) 6.859 7.606 ( -3.267 -1.312 0.826) 3.616 7.606 ( 3.267 -1.312 0.826) 3.616 7.839 ( -2.141 14.696 -2.249) 15.020 7.839 ( 2.141 14.696 -2.249) 15.020 7.927 ( -2.110 13.677 -0.544) 13.849 7.927 ( 2.110 13.677 -0.544) 13.849 8.122 ( -2.699 16.208 1.611) 16.509 8.122 ( 2.699 16.208 1.611) 16.509 8.324 ( -1.346 12.324 -1.533) 12.492 8.324 ( 1.346 12.324 -1.533) 12.492 8.487 ( -5.402 4.167 -1.600) 7.008 8.487 ( 5.402 4.167 -1.600) 7.008 8.778 ( -1.265 12.229 1.701) 12.412 8.778 ( 1.265 12.229 1.701) 12.412 9.071 ( -2.821 -8.394 0.761) 8.888 9.071 ( 2.821 -8.394 0.761) 8.888 9.772 ( -4.658 10.106 3.983) 11.819 9.772 ( 4.658 10.106 3.983) 11.819 9.987 ( -2.838 14.310 -0.648) 14.603 9.987 ( 2.838 14.310 -0.648) 14.603 10.484 ( -1.225 -1.478 0.136) 1.924 10.484 ( 1.225 -1.478 0.136) 1.924 10.573 ( -1.562 1.209 -1.997) 2.809 10.573 ( 1.562 1.209 -1.997) 2.809 11.107 ( -0.499 37.142 2.284) 37.216 11.107 ( 0.499 37.142 2.284) 37.216 11.269 ( -2.450 11.678 -0.028) 11.933 11.269 ( 2.450 11.678 -0.028) 11.933 11.570 ( -2.093 4.937 -5.909) 7.979 11.570 ( 2.093 4.937 -5.909) 7.979 11.907 ( -2.580 -2.758 0.816) 3.864 11.907 ( 2.580 -2.758 0.816) 3.864 11.994 ( -11.166 16.743 -1.156) 20.158 11.994 ( 11.166 16.743 -1.156) 20.158 12.311 ( -5.681 2.063 -3.198) 6.838 12.311 ( 5.681 2.063 -3.198) 6.838 12.570 ( -1.570 -0.429 1.843) 2.459 12.570 ( 1.570 -0.429 1.843) 2.459 12.877 ( -6.960 -4.889 -3.838) 9.331 12.877 ( 6.960 -4.889 -3.838) 9.331 14.776 ( -0.116 -27.903 0.047) 27.903 14.776 ( 0.116 -27.903 0.047) 27.903 14.867 ( -2.013 -23.628 -2.995) 23.902 14.867 ( 2.013 -23.628 -2.995) 23.902 17.164 ( -2.819 -4.351 17.729) 18.471 17.164 ( 2.819 -4.351 17.729) 18.471 18.212 ( -10.289 -10.451 -9.883) 17.685 18.212 ( 10.289 -10.451 -9.883) 17.685 18.689 ( -0.991 10.930 0.382) 10.981 18.689 ( 0.991 10.930 0.382) 10.981 18.921 ( -1.922 16.978 2.627) 17.287 18.921 ( 1.922 16.978 2.627) 17.287 19.637 ( -14.054 -7.567 5.339) 16.831 19.637 ( 14.054 -7.567 5.339) 16.831 20.203 ( -5.130 -16.547 -7.460) 18.862 20.203 ( 5.130 -16.547 -7.460) 18.862 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.000 21.961 4.654) 22.449 1.536 ( 0.000 18.752 7.038) 20.029 1.929 ( 0.000 7.171 -3.295) 7.892 1.967 ( 0.000 2.543 -0.699) 2.638 2.060 ( 0.000 6.254 3.258) 7.052 2.205 ( 0.000 -6.856 -1.511) 7.020 2.264 ( 0.000 0.452 1.680) 1.740 2.300 ( 0.000 -3.485 1.349) 3.737 2.453 ( 0.000 5.350 -3.054) 6.160 2.562 ( 0.000 -9.443 -5.123) 10.743 2.777 ( 0.000 -7.601 3.702) 8.455 2.822 ( 0.000 2.188 4.881) 5.349 3.111 ( 0.000 20.705 4.985) 21.296 3.384 ( 0.000 -7.022 -3.112) 7.681 3.452 ( 0.000 4.068 -3.066) 5.094 3.554 ( 0.000 -3.807 -0.301) 3.819 3.679 ( 0.000 -0.747 -4.236) 4.301 3.727 ( 0.000 3.782 -5.591) 6.750 3.748 ( 0.000 9.444 1.534) 9.568 3.784 ( 0.000 2.204 -0.002) 2.204 3.857 ( 0.000 -19.293 2.334) 19.434 3.947 ( 0.000 6.118 1.334) 6.261 3.970 ( 0.000 -6.725 1.077) 6.810 4.066 ( 0.000 4.976 -2.520) 5.578 4.161 ( 0.000 -0.402 7.184) 7.195 4.445 ( 0.000 1.823 0.464) 1.881 4.486 ( 0.000 4.447 -1.567) 4.715 4.575 ( 0.000 9.651 0.862) 9.689 4.669 ( 0.000 17.518 3.527) 17.869 4.736 ( 0.000 11.040 -0.811) 11.069 4.812 ( 0.000 0.553 -0.074) 0.558 5.007 ( 0.000 -8.631 -7.489) 11.427 5.152 ( 0.000 -1.133 2.737) 2.962 5.331 ( 0.000 1.342 -4.423) 4.622 5.345 ( 0.000 -0.666 -1.244) 1.411 5.512 ( 0.000 4.395 0.916) 4.489 5.626 ( 0.000 7.882 -1.118) 7.961 5.808 ( 0.000 14.622 0.246) 14.624 5.876 ( 0.000 20.857 -1.786) 20.933 5.912 ( 0.000 7.532 -6.140) 9.718 6.083 ( 0.000 0.800 0.402) 0.895 6.085 ( 0.000 13.350 4.983) 14.250 6.194 ( 0.000 -4.183 4.491) 6.138 6.310 ( 0.000 6.372 3.995) 7.521 6.454 ( 0.000 -0.154 0.945) 0.958 6.469 ( 0.000 7.715 -5.938) 9.735 6.632 ( 0.000 15.133 -0.809) 15.155 6.654 ( 0.000 -1.111 -2.366) 2.614 6.781 ( 0.000 -6.756 2.159) 7.093 6.826 ( 0.000 -1.824 -0.301) 1.848 6.851 ( 0.000 -5.875 3.260) 6.719 7.065 ( 0.000 -3.381 -2.041) 3.949 7.576 ( 0.000 3.578 4.473) 5.728 7.717 ( 0.000 0.110 1.284) 1.289 7.992 ( 0.000 4.327 -1.205) 4.492 8.099 ( 0.000 3.173 -5.064) 5.976 8.202 ( 0.000 5.206 -0.528) 5.232 8.245 ( 0.000 16.156 0.477) 16.163 8.322 ( 0.000 7.880 -4.129) 8.896 8.329 ( 0.000 13.220 2.903) 13.535 8.407 ( 0.000 16.407 3.845) 16.851 8.493 ( 0.000 16.475 -6.252) 17.621 8.711 ( 0.000 18.647 2.343) 18.794 8.723 ( 0.000 -3.647 0.673) 3.709 8.881 ( 0.000 -9.033 -0.387) 9.041 8.976 ( 0.000 11.088 3.128) 11.521 9.005 ( 0.000 16.633 -3.600) 17.019 9.145 ( 0.000 14.706 -0.987) 14.739 9.938 ( 0.000 10.990 2.764) 11.332 10.093 ( 0.000 8.277 5.542) 9.961 10.097 ( 0.000 6.827 -0.424) 6.840 10.355 ( 0.000 12.707 -0.697) 12.727 10.395 ( 0.000 -4.566 1.973) 4.974 10.503 ( 0.000 -0.962 0.588) 1.127 10.547 ( 0.000 -1.342 -2.308) 2.669 10.693 ( 0.000 6.164 -2.604) 6.691 11.298 ( 0.000 -4.438 0.581) 4.475 11.331 ( 0.000 -1.630 0.228) 1.645 11.449 ( 0.000 0.433 1.426) 1.491 11.491 ( 0.000 -5.112 1.434) 5.309 11.731 ( 0.000 1.918 -1.941) 2.729 11.879 ( 0.000 -2.367 1.388) 2.744 11.981 ( 0.000 13.403 -1.146) 13.452 11.990 ( 0.000 14.718 -6.972) 16.286 12.080 ( 0.000 10.543 3.321) 11.054 12.286 ( 0.000 30.385 -1.777) 30.437 12.454 ( 0.000 25.790 6.145) 26.512 12.483 ( 0.000 0.042 2.581) 2.581 12.719 ( 0.000 11.071 -3.972) 11.761 12.737 ( 0.000 28.106 0.870) 28.119 12.985 ( 0.000 -1.878 -1.194) 2.226 13.093 ( 0.000 19.884 -7.948) 21.413 14.214 ( 0.000 -27.557 0.622) 27.564 14.275 ( 0.000 -24.647 0.960) 24.666 14.333 ( 0.000 -22.548 -2.462) 22.682 14.659 ( 0.000 -11.171 -13.984) 17.898 17.067 ( 0.000 -3.014 10.019) 10.462 17.165 ( 0.000 -7.246 21.516) 22.703 17.794 ( 0.000 -10.318 -8.490) 13.362 18.198 ( 0.000 -18.308 -7.695) 19.860 18.620 ( 0.000 -2.466 1.897) 3.111 18.820 ( 0.000 0.399 -4.357) 4.375 19.064 ( 0.000 -2.006 4.586) 5.005 19.145 ( 0.000 8.461 2.176) 8.736 19.277 ( 0.000 6.101 6.012) 8.566 19.830 ( 0.000 -6.702 -3.160) 7.410 19.845 ( 0.000 -6.021 -3.705) 7.069 19.905 ( 0.000 -16.324 -1.554) 16.398 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.25 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 4.273 18.988 3.066) 19.703 1.644 ( 8.318 16.248 7.050) 19.567 1.825 ( -6.923 9.878 -1.391) 12.142 1.930 ( -5.208 6.416 4.765) 9.539 2.129 ( 7.135 2.075 -4.107) 8.491 2.209 ( -0.484 -9.719 -1.485) 9.844 2.263 ( -1.553 1.897 0.050) 2.452 2.334 ( 2.815 -1.156 2.374) 3.859 2.409 ( -2.677 2.246 -2.720) 4.428 2.596 ( 2.012 -8.178 -2.714) 8.849 2.726 ( -6.041 0.491 1.223) 6.183 2.762 ( -2.659 2.273 1.880) 3.972 3.182 ( 7.101 13.695 5.761) 16.467 3.406 ( -0.762 -2.972 -1.576) 3.449 3.438 ( -0.150 1.350 -2.049) 2.459 3.536 ( -3.629 -0.053 1.799) 4.051 3.688 ( 1.919 5.692 -1.072) 6.102 3.710 ( 2.767 -3.955 -6.885) 8.408 3.776 ( -0.993 3.156 1.069) 3.477 3.817 ( -0.227 -4.236 -2.373) 4.861 3.839 ( 1.725 -4.298 1.829) 4.979 3.933 ( -2.173 -4.315 1.577) 5.082 3.987 ( 2.342 0.086 1.126) 2.600 4.085 ( 0.096 2.080 -0.523) 2.147 4.144 ( 0.912 0.257 6.828) 6.894 4.416 ( -3.860 2.925 0.195) 4.847 4.469 ( -1.027 5.384 -1.989) 5.830 4.529 ( -4.094 5.389 -0.551) 6.790 4.703 ( 3.269 14.599 2.141) 15.112 4.746 ( 0.319 8.803 -0.191) 8.811 4.800 ( -0.459 1.045 -0.615) 1.297 4.931 ( -5.270 -4.406 -4.531) 8.228 5.176 ( 2.468 -0.465 1.592) 2.973 5.313 ( -1.825 -1.928 -3.181) 4.143 5.407 ( 4.338 2.648 -1.394) 5.270 5.497 ( -0.643 3.411 0.865) 3.577 5.645 ( 0.764 10.489 -0.572) 10.533 5.761 ( -4.164 12.351 1.267) 13.096 5.918 ( 3.845 19.708 -2.213) 20.201 5.976 ( 4.165 8.175 -6.309) 11.135 6.049 ( 0.506 9.529 0.586) 9.560 6.101 ( 0.184 9.504 1.602) 9.639 6.259 ( 4.141 1.723 5.083) 6.779 6.312 ( -0.230 3.485 2.580) 4.342 6.400 ( -3.885 11.530 -4.976) 13.145 6.441 ( -2.942 0.103 1.137) 3.156 6.628 ( 1.238 7.677 -2.566) 8.189 6.686 ( 0.369 -2.977 -2.102) 3.663 6.763 ( -0.551 -5.407 2.151) 5.845 6.816 ( -1.629 -3.508 1.617) 4.193 6.879 ( 3.433 -3.523 3.295) 5.921 7.040 ( -2.605 -3.337 -0.397) 4.252 7.568 ( -0.012 2.982 3.788) 4.821 7.679 ( -3.511 0.501 1.586) 3.885 8.002 ( 0.969 4.068 -1.677) 4.505 8.096 ( -2.506 2.274 -3.749) 5.051 8.119 ( -2.009 8.167 -3.301) 9.035 8.196 ( -3.148 8.573 -2.030) 9.355 8.362 ( 1.891 15.499 2.855) 15.873 8.405 ( 2.828 12.822 -1.467) 13.212 8.447 ( 4.599 13.253 2.613) 14.269 8.533 ( 3.727 17.252 -5.166) 18.390 8.691 ( -1.517 6.504 0.851) 6.733 8.751 ( 1.202 7.014 -0.196) 7.119 8.861 ( -0.745 -3.166 1.169) 3.457 8.956 ( -1.813 8.387 2.615) 8.970 9.033 ( 2.256 14.696 -1.365) 14.931 9.131 ( -1.486 14.096 -0.952) 14.206 9.939 ( 0.599 10.604 3.581) 11.209 10.049 ( -3.516 8.383 4.732) 10.249 10.140 ( 3.623 7.649 -0.789) 8.501 10.319 ( -3.400 10.429 -0.991) 11.014 10.407 ( 0.945 -3.849 1.958) 4.420 10.471 ( -2.360 -2.162 0.419) 3.228 10.573 ( 2.171 1.674 -1.935) 3.355 10.672 ( -1.954 6.090 -2.516) 6.873 11.280 ( -1.257 -2.445 0.797) 2.863 11.296 ( -2.076 -2.564 1.240) 3.524 11.495 ( 2.673 -0.631 0.365) 2.771 11.511 ( 1.601 -3.635 1.256) 4.166 11.750 ( 1.904 2.088 -1.408) 3.157 11.854 ( -2.206 0.218 0.885) 2.387 11.986 ( 0.402 8.543 -3.136) 9.109 11.993 ( 0.295 18.901 -4.691) 19.477 12.140 ( 5.611 8.058 3.340) 10.371 12.360 ( 5.224 26.889 -1.276) 27.421 12.425 ( -2.171 8.829 3.409) 9.710 12.498 ( 2.583 18.782 4.526) 19.492 12.646 ( -4.244 14.105 1.087) 14.769 12.779 ( -1.093 19.099 -5.341) 19.862 12.917 ( -3.673 6.905 -0.400) 7.831 13.047 ( -4.220 21.115 -7.481) 22.795 14.219 ( 0.563 -27.202 0.631) 27.215 14.261 ( -1.193 -25.195 0.842) 25.237 14.359 ( 2.637 -21.376 -3.127) 21.763 14.578 ( -6.819 -13.068 -10.648) 18.184 17.069 ( 0.277 -3.117 11.104) 11.537 17.129 ( -2.709 -5.487 18.313) 19.309 17.842 ( 4.717 -11.086 -8.170) 14.557 18.124 ( -6.552 -16.653 -8.216) 19.691 18.697 ( 6.152 -1.522 1.881) 6.610 18.842 ( 0.515 2.007 -1.869) 2.791 19.111 ( 3.728 -0.705 2.149) 4.360 19.152 ( 0.560 7.732 2.037) 8.015 19.310 ( 4.508 1.876 6.273) 7.949 19.711 ( -9.676 -9.092 1.626) 13.376 19.867 ( 2.724 -8.759 -6.665) 11.339 19.942 ( 0.832 -13.607 -3.126) 13.987 ======================= Grid point 92 (36/72) ======================= q-point: (-0.50 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -7.625 14.451 1.224) 16.385 1.672 ( 7.625 14.451 1.224) 16.385 1.812 ( -7.235 10.231 5.716) 13.773 1.812 ( 7.235 10.231 5.716) 13.773 2.213 ( -1.469 -6.302 -1.996) 6.772 2.213 ( 1.469 -6.302 -1.996) 6.772 2.278 ( -5.730 4.631 -3.494) 8.154 2.278 ( 5.730 4.631 -3.494) 8.154 2.494 ( -8.722 -3.749 3.050) 9.971 2.494 ( 8.722 -3.749 3.050) 9.971 2.715 ( -2.962 2.559 -2.581) 4.688 2.715 ( 2.962 2.559 -2.581) 4.688 3.341 ( -6.719 5.679 3.878) 9.614 3.341 ( 6.719 5.679 3.878) 9.614 3.448 ( -2.182 0.546 -0.207) 2.258 3.448 ( 2.182 0.546 -0.207) 2.258 3.728 ( -1.834 -2.430 0.154) 3.048 3.728 ( 1.834 -2.430 0.154) 3.048 3.797 ( -3.039 1.366 -3.535) 4.858 3.797 ( 3.039 1.366 -3.535) 4.858 3.882 ( -2.586 -4.691 0.338) 5.367 3.882 ( 2.586 -4.691 0.338) 5.367 4.041 ( -2.851 0.093 3.274) 4.342 4.041 ( 2.851 0.093 3.274) 4.342 4.262 ( -9.121 1.719 1.269) 9.368 4.262 ( 9.121 1.719 1.269) 9.368 4.474 ( -1.501 4.328 -2.182) 5.074 4.474 ( 1.501 4.328 -2.182) 5.074 4.742 ( -0.619 5.799 0.344) 5.842 4.742 ( 0.619 5.799 0.344) 5.842 4.839 ( -3.995 4.077 -0.999) 5.795 4.839 ( 3.995 4.077 -0.999) 5.795 5.247 ( -4.153 -0.369 -1.045) 4.298 5.247 ( 4.153 -0.369 -1.045) 4.298 5.479 ( -2.066 1.542 -0.345) 2.601 5.479 ( 2.066 1.542 -0.345) 2.601 5.676 ( -3.234 12.224 1.275) 12.709 5.676 ( 3.234 12.224 1.275) 12.709 5.991 ( -2.210 12.971 -3.637) 13.652 5.991 ( 2.210 12.971 -3.637) 13.652 6.097 ( -2.279 15.349 -1.329) 15.574 6.097 ( 2.279 15.349 -1.329) 15.574 6.297 ( -1.482 6.035 1.759) 6.458 6.297 ( 1.482 6.035 1.759) 6.458 6.380 ( -2.665 2.947 -0.124) 3.975 6.380 ( 2.665 2.947 -0.124) 3.975 6.663 ( -1.823 -2.720 -2.322) 4.014 6.663 ( 1.823 -2.720 -2.322) 4.014 6.781 ( -1.595 -3.070 2.959) 4.552 6.781 ( 1.595 -3.070 2.959) 4.552 6.965 ( -4.524 -3.195 1.883) 5.850 6.965 ( 4.524 -3.195 1.883) 5.850 7.601 ( -3.375 1.582 2.465) 4.468 7.601 ( 3.375 1.582 2.465) 4.468 8.031 ( -2.172 4.257 -2.497) 5.392 8.031 ( 2.172 4.257 -2.497) 5.392 8.139 ( -2.234 6.141 -3.569) 7.446 8.139 ( 2.234 6.141 -3.569) 7.446 8.402 ( -1.904 14.639 0.278) 14.765 8.402 ( 1.904 14.639 0.278) 14.765 8.552 ( -3.898 14.589 0.269) 15.103 8.552 ( 3.898 14.589 0.269) 15.103 8.707 ( -3.978 6.905 -2.935) 8.492 8.707 ( 3.978 6.905 -2.935) 8.492 8.902 ( -3.408 3.481 4.047) 6.333 8.902 ( 3.408 3.481 4.047) 6.333 9.086 ( -2.769 13.784 -0.902) 14.089 9.086 ( 2.769 13.784 -0.902) 14.089 9.976 ( -3.098 9.701 4.293) 11.052 9.976 ( 3.098 9.701 4.293) 11.052 10.230 ( -4.954 8.642 -1.375) 10.056 10.230 ( 4.954 8.642 -1.375) 10.056 10.431 ( -1.499 -3.542 1.368) 4.082 10.431 ( 1.499 -3.542 1.368) 4.082 10.624 ( -2.667 5.007 -2.280) 6.114 10.624 ( 2.667 5.007 -2.280) 6.114 11.269 ( -0.418 -2.126 1.346) 2.551 11.269 ( 0.418 -2.126 1.346) 2.551 11.527 ( -0.439 -1.821 0.502) 1.940 11.527 ( 0.439 -1.821 0.502) 1.940 11.801 ( -2.882 2.073 -0.214) 3.557 11.801 ( 2.882 2.073 -0.214) 3.557 11.994 ( -0.248 13.696 -3.952) 14.256 11.994 ( 0.248 13.696 -3.952) 14.256 12.280 ( -7.468 4.625 3.625) 9.503 12.280 ( 7.468 4.625 3.625) 9.503 12.530 ( -4.741 33.290 2.088) 33.691 12.530 ( 4.741 33.290 2.088) 33.691 12.632 ( -8.452 1.670 -1.529) 8.750 12.632 ( 8.452 1.670 -1.529) 8.750 12.950 ( -4.629 22.413 -5.175) 23.464 12.950 ( 4.629 22.413 -5.175) 23.464 14.236 ( -1.137 -26.300 0.693) 26.333 14.236 ( 1.137 -26.300 0.693) 26.333 14.443 ( -5.769 -17.693 -5.701) 19.464 14.443 ( 5.769 -17.693 -5.701) 19.464 17.084 ( -1.460 -3.665 13.826) 14.378 17.084 ( 1.460 -3.665 13.826) 14.378 17.972 ( -7.762 -13.502 -8.247) 17.623 17.972 ( 7.762 -13.502 -8.247) 17.623 18.806 ( -3.967 1.183 1.037) 4.267 18.806 ( 3.967 1.183 1.037) 4.267 19.155 ( -0.708 6.026 1.446) 6.237 19.155 ( 0.708 6.026 1.446) 6.237 19.487 ( -11.693 -7.309 4.005) 14.359 19.487 ( 11.693 -7.309 4.005) 14.359 19.924 ( -2.346 -12.357 -5.249) 13.630 19.924 ( 2.346 -12.357 -5.249) 13.630 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 0.000 6.677 4.019) 7.793 1.891 ( 0.000 11.812 0.157) 11.813 1.929 ( 0.000 -14.056 3.868) 14.578 2.010 ( 0.000 2.614 -0.802) 2.734 2.083 ( 0.000 1.041 -1.973) 2.231 2.121 ( 0.000 0.619 -1.774) 1.879 2.226 ( 0.000 3.610 0.327) 3.625 2.287 ( 0.000 -7.855 0.474) 7.870 2.426 ( 0.000 2.218 5.694) 6.111 2.539 ( 0.000 0.817 -0.219) 0.846 2.658 ( 0.000 -4.462 -1.299) 4.648 2.875 ( 0.000 4.332 0.127) 4.334 3.072 ( 0.000 -18.606 -3.053) 18.854 3.210 ( 0.000 -7.295 -8.638) 11.306 3.356 ( 0.000 -12.975 2.241) 13.167 3.609 ( 0.000 -6.273 -0.453) 6.290 3.615 ( 0.000 6.642 4.030) 7.769 3.662 ( 0.000 -12.232 5.386) 13.366 3.685 ( 0.000 -2.823 0.645) 2.895 3.751 ( 0.000 3.391 2.115) 3.996 3.880 ( 0.000 4.323 1.884) 4.716 3.885 ( 0.000 0.896 -2.520) 2.675 4.033 ( 0.000 3.317 -3.817) 5.057 4.187 ( 0.000 7.683 -3.578) 8.476 4.243 ( 0.000 8.834 1.505) 8.961 4.431 ( 0.000 -4.345 -2.868) 5.206 4.580 ( 0.000 6.970 -1.446) 7.119 4.640 ( 0.000 -6.533 -6.057) 8.909 4.923 ( 0.000 4.608 -1.283) 4.783 4.928 ( 0.000 9.471 -3.234) 10.008 4.988 ( 0.000 6.521 -1.963) 6.810 5.020 ( 0.000 11.087 -2.107) 11.285 5.204 ( 0.000 10.830 10.002) 14.742 5.298 ( 0.000 -2.915 1.176) 3.144 5.350 ( 0.000 3.638 -0.900) 3.748 5.518 ( 0.000 -1.886 0.646) 1.993 5.726 ( 0.000 3.106 -1.592) 3.491 5.974 ( 0.000 -2.904 5.134) 5.898 5.983 ( 0.000 1.965 5.864) 6.185 6.052 ( 0.000 -0.249 -4.898) 4.904 6.137 ( 0.000 1.991 3.774) 4.266 6.360 ( 0.000 15.695 0.284) 15.698 6.376 ( 0.000 17.500 -0.186) 17.501 6.490 ( 0.000 9.561 -0.546) 9.576 6.507 ( 0.000 4.204 -1.029) 4.328 6.610 ( 0.000 -2.172 -2.669) 3.441 6.671 ( 0.000 8.052 2.310) 8.377 6.745 ( 0.000 11.301 0.140) 11.302 6.808 ( 0.000 0.116 0.107) 0.158 6.829 ( 0.000 3.967 2.974) 4.958 6.970 ( 0.000 15.657 -2.572) 15.867 7.022 ( 0.000 -0.259 -2.238) 2.253 7.692 ( 0.000 7.884 3.807) 8.755 7.731 ( 0.000 1.408 3.122) 3.425 8.005 ( 0.000 -0.993 1.078) 1.466 8.065 ( 0.000 -4.283 -3.315) 5.416 8.238 ( 0.000 0.656 0.404) 0.770 8.449 ( 0.000 4.543 -6.469) 7.905 8.457 ( 0.000 -0.245 -0.800) 0.836 8.508 ( 0.000 -0.394 -1.549) 1.599 8.733 ( 0.000 11.956 0.546) 11.969 8.771 ( 0.000 12.003 0.294) 12.007 8.791 ( 0.000 18.697 2.165) 18.822 8.885 ( 0.000 14.349 -4.841) 15.144 9.079 ( 0.000 17.776 3.727) 18.162 9.227 ( 0.000 13.455 2.417) 13.670 9.355 ( 0.000 16.760 -5.293) 17.576 9.431 ( 0.000 14.297 -2.813) 14.571 10.117 ( 0.000 5.821 2.749) 6.438 10.120 ( 0.000 -3.453 1.430) 3.738 10.206 ( 0.000 2.331 5.333) 5.820 10.318 ( 0.000 -0.884 1.426) 1.678 10.488 ( 0.000 -1.155 -2.292) 2.566 10.511 ( 0.000 2.172 3.422) 4.053 10.575 ( 0.000 6.947 -4.242) 8.140 10.840 ( 0.000 6.463 -2.667) 6.991 11.190 ( 0.000 -6.327 0.955) 6.399 11.270 ( 0.000 -4.309 1.298) 4.501 11.367 ( 0.000 -7.058 0.949) 7.121 11.393 ( 0.000 -4.786 0.787) 4.850 11.758 ( 0.000 1.404 -1.322) 1.928 11.852 ( 0.000 -0.285 3.188) 3.201 11.960 ( 0.000 -2.769 -5.109) 5.811 12.082 ( 0.000 -1.886 -0.394) 1.926 12.095 ( 0.000 -3.456 3.664) 5.037 12.398 ( 0.000 -6.021 -4.709) 7.644 12.412 ( 0.000 -4.874 4.212) 6.442 12.662 ( 0.000 -7.138 -1.212) 7.240 13.355 ( 0.000 8.086 0.932) 8.140 13.385 ( 0.000 6.853 0.972) 6.922 13.463 ( 0.000 13.651 -1.641) 13.749 13.482 ( 0.000 24.278 -1.273) 24.311 13.888 ( 0.000 22.702 2.776) 22.871 13.998 ( 0.000 17.879 4.465) 18.428 14.202 ( 0.000 25.147 -4.864) 25.613 14.680 ( 0.000 18.205 -14.006) 22.969 17.019 ( 0.000 -1.714 8.505) 8.676 17.060 ( 0.000 -3.530 13.396) 13.854 17.590 ( 0.000 -10.313 -6.375) 12.124 17.841 ( 0.000 -17.379 -5.831) 18.331 18.564 ( 0.000 -3.267 1.641) 3.656 18.767 ( 0.000 -4.629 -4.872) 6.720 18.990 ( 0.000 -5.974 5.866) 8.373 19.187 ( 0.000 -4.721 0.516) 4.749 19.305 ( 0.000 -3.665 3.438) 5.025 19.619 ( 0.000 -12.580 -0.172) 12.581 19.637 ( 0.000 -14.248 -3.990) 14.796 19.692 ( 0.000 -9.070 -1.222) 9.152 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.003 3.677 2.366) 4.372 1.878 ( -2.240 -2.681 0.706) 3.565 1.942 ( 1.124 -6.110 2.483) 6.690 2.018 ( -2.584 2.115 -0.533) 3.382 2.038 ( 2.454 10.075 1.961) 10.553 2.150 ( 1.871 1.171 -0.583) 2.283 2.279 ( 4.768 0.951 -0.432) 4.881 2.365 ( 1.196 1.655 -0.733) 2.170 2.388 ( -0.847 -6.691 3.934) 7.808 2.473 ( -2.856 0.803 1.046) 3.146 2.714 ( 2.833 -2.055 -4.290) 5.537 2.831 ( -3.064 4.072 -1.359) 5.274 3.148 ( 6.154 -12.191 -2.605) 13.902 3.232 ( 2.123 -11.235 -4.816) 12.406 3.333 ( -2.037 -10.502 1.574) 10.813 3.515 ( -8.839 -8.476 0.405) 12.253 3.582 ( -0.871 -0.625 4.362) 4.492 3.627 ( -2.321 -11.639 4.385) 12.653 3.728 ( 1.577 1.369 1.757) 2.730 3.746 ( 1.506 -0.266 -1.602) 2.215 3.881 ( 0.065 4.120 -0.378) 4.138 3.923 ( 1.101 4.411 -1.985) 4.961 4.083 ( 4.651 3.607 -2.321) 6.327 4.174 ( -0.554 6.373 -0.779) 6.444 4.233 ( -0.534 7.459 2.493) 7.883 4.454 ( 0.903 -1.848 -4.432) 4.886 4.496 ( -7.867 -0.773 -3.508) 8.649 4.574 ( -4.124 -0.341 -4.038) 5.782 4.904 ( -0.909 7.229 0.471) 7.301 4.915 ( -0.903 9.620 -0.042) 9.663 5.006 ( -0.358 6.238 -2.840) 6.864 5.024 ( 1.237 10.633 -1.964) 10.884 5.188 ( 0.189 5.289 7.220) 8.952 5.274 ( -1.058 2.439 3.493) 4.389 5.435 ( 4.834 0.387 -0.935) 4.939 5.519 ( 0.050 0.521 0.568) 0.772 5.751 ( 1.858 2.787 -1.163) 3.546 5.855 ( -4.291 0.401 3.662) 5.655 6.056 ( 1.422 -2.829 0.407) 3.193 6.100 ( 2.114 4.660 -2.718) 5.794 6.229 ( 7.599 0.721 2.199) 7.944 6.331 ( -0.019 9.576 -1.646) 9.716 6.455 ( 3.682 14.770 1.973) 15.350 6.472 ( -0.993 7.651 -1.668) 7.893 6.519 ( 1.652 9.722 1.950) 10.053 6.601 ( -0.011 1.465 -2.647) 3.025 6.675 ( 0.266 11.728 1.925) 11.888 6.752 ( 0.895 8.111 0.339) 8.167 6.799 ( -2.430 2.832 -0.013) 3.732 6.820 ( -0.526 4.538 1.755) 4.894 6.938 ( -1.897 12.984 0.492) 13.131 7.000 ( -2.049 -0.251 -1.444) 2.519 7.671 ( -1.381 7.073 3.856) 8.173 7.709 ( -2.071 2.537 3.488) 4.785 8.010 ( 1.001 -1.646 -0.680) 2.043 8.069 ( -0.206 -2.333 -3.930) 4.575 8.212 ( -1.710 1.851 -2.193) 3.340 8.324 ( -6.962 4.532 -4.977) 9.684 8.519 ( 3.276 -6.301 -0.153) 7.103 8.556 ( 2.191 -3.523 0.068) 4.149 8.710 ( -0.133 16.156 -0.189) 16.158 8.760 ( -1.435 15.611 0.943) 15.705 8.854 ( 3.835 13.757 0.172) 14.283 8.904 ( 1.437 16.288 -3.918) 16.814 9.097 ( 1.951 17.283 3.763) 17.795 9.220 ( -1.226 14.405 1.854) 14.575 9.354 ( 0.200 15.938 -3.714) 16.367 9.414 ( -1.554 14.144 -2.557) 14.457 10.094 ( 0.059 3.200 3.105) 4.459 10.155 ( -0.385 2.277 1.706) 2.871 10.219 ( 3.086 0.769 3.172) 4.492 10.328 ( 1.137 -0.363 1.775) 2.139 10.427 ( -4.465 -2.559 0.235) 5.152 10.452 ( -4.286 4.308 0.357) 6.087 10.654 ( 5.040 5.723 -3.028) 8.205 10.814 ( -2.409 6.375 -2.775) 7.359 11.190 ( 0.104 -5.617 0.454) 5.637 11.237 ( -2.274 -3.868 0.727) 4.545 11.390 ( 1.972 -7.392 1.526) 7.801 11.422 ( 1.555 -6.157 0.909) 6.415 11.771 ( 1.244 1.155 -0.478) 1.763 11.837 ( -1.366 -0.056 2.662) 2.992 11.993 ( 3.086 -2.028 -4.857) 6.101 12.090 ( 0.214 -1.420 -1.562) 2.121 12.140 ( 4.129 -3.539 3.289) 6.355 12.360 ( -4.488 -4.589 3.385) 7.256 12.416 ( 1.931 -7.095 -2.749) 7.850 12.611 ( -4.801 -7.800 -1.120) 9.227 13.361 ( 0.471 7.658 0.905) 7.726 13.382 ( -0.346 6.674 0.940) 6.749 13.466 ( 0.240 15.775 -1.586) 15.856 13.479 ( -0.269 23.253 -1.315) 23.292 13.895 ( 0.789 21.880 3.009) 22.100 13.971 ( -2.317 18.496 4.136) 19.094 14.257 ( 5.364 24.950 -5.765) 26.163 14.589 ( -8.080 20.112 -12.115) 24.830 17.020 ( 0.120 -1.751 9.035) 9.204 17.047 ( -1.089 -2.859 11.957) 12.342 17.622 ( 3.131 -11.099 -6.235) 13.109 17.799 ( -3.862 -16.017 -6.091) 17.565 18.639 ( 6.436 -3.927 1.700) 7.729 18.809 ( 1.718 -4.390 -3.085) 5.634 19.017 ( 3.972 -7.105 4.011) 9.074 19.184 ( -0.528 -5.040 0.156) 5.070 19.309 ( 0.704 -3.902 3.541) 5.316 19.519 ( -7.903 -9.861 1.152) 12.690 19.649 ( 1.175 -14.162 -3.808) 14.712 19.704 ( -0.242 -11.873 -2.229) 12.082 ======================= Grid point 97 (39/72) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -2.675 -3.108 0.934) 4.206 1.818 ( 2.675 -3.108 0.934) 4.206 1.972 ( -1.771 1.527 1.022) 2.552 1.972 ( 1.771 1.527 1.022) 2.552 2.127 ( -4.449 6.179 3.477) 8.370 2.127 ( 4.449 6.179 3.477) 8.370 2.341 ( -2.766 -4.102 -1.492) 5.168 2.341 ( 2.766 -4.102 -1.492) 5.168 2.426 ( -5.064 1.709 1.222) 5.483 2.426 ( 5.064 1.709 1.222) 5.483 2.770 ( -3.417 2.336 -5.123) 6.586 2.770 ( 3.417 2.336 -5.123) 6.586 3.260 ( -2.814 -11.983 0.886) 12.341 3.260 ( 2.814 -11.983 0.886) 12.341 3.337 ( -6.701 -8.513 -1.688) 10.965 3.337 ( 6.701 -8.513 -1.688) 10.965 3.587 ( -1.269 -7.657 4.147) 8.800 3.587 ( 1.269 -7.657 4.147) 8.800 3.757 ( -1.470 -1.899 1.247) 2.706 3.757 ( 1.470 -1.899 1.247) 2.706 3.902 ( -2.206 6.260 -4.032) 7.766 3.902 ( 2.206 6.260 -4.032) 7.766 4.166 ( -1.478 6.285 0.658) 6.490 4.166 ( 1.478 6.285 0.658) 6.490 4.289 ( -8.252 0.439 0.069) 8.264 4.289 ( 8.252 0.439 0.069) 8.264 4.507 ( -2.664 0.237 -4.958) 5.634 4.507 ( 2.664 0.237 -4.958) 5.634 4.900 ( -0.479 9.002 1.364) 9.117 4.900 ( 0.479 9.002 1.364) 9.117 5.015 ( -1.136 7.741 -1.137) 7.906 5.015 ( 1.136 7.741 -1.137) 7.906 5.233 ( -3.020 2.770 3.799) 5.588 5.233 ( 3.020 2.770 3.799) 5.588 5.504 ( -1.956 1.610 0.721) 2.634 5.504 ( 1.956 1.610 0.721) 2.634 5.792 ( -2.349 2.468 0.880) 3.519 5.792 ( 2.349 2.468 0.880) 3.519 6.095 ( -1.948 0.768 -3.197) 3.822 6.095 ( 1.948 0.768 -3.197) 3.822 6.336 ( -1.896 3.129 -2.547) 4.458 6.336 ( 1.896 3.129 -2.547) 4.458 6.449 ( -1.613 4.763 2.267) 5.516 6.449 ( 1.613 4.763 2.267) 5.516 6.622 ( -1.287 15.488 -0.456) 15.548 6.622 ( 1.287 15.488 -0.456) 15.548 6.688 ( -4.999 11.348 2.581) 12.667 6.688 ( 4.999 11.348 2.581) 12.667 6.792 ( -2.038 4.490 0.874) 5.008 6.792 ( 2.038 4.490 0.874) 5.008 6.949 ( -2.483 2.825 0.278) 3.771 6.949 ( 2.483 2.825 0.278) 3.771 7.667 ( -1.314 4.930 3.798) 6.360 7.667 ( 1.314 4.930 3.798) 6.360 8.045 ( -2.016 -1.069 -3.119) 3.865 8.045 ( 2.016 -1.069 -3.119) 3.865 8.217 ( -2.985 2.439 -4.576) 5.983 8.217 ( 2.985 2.439 -4.576) 5.983 8.569 ( -1.108 -7.937 1.029) 8.080 8.569 ( 1.108 -7.937 1.029) 8.080 8.728 ( -1.509 16.768 -0.044) 16.836 8.728 ( 1.509 16.768 -0.044) 16.836 8.908 ( -1.447 16.054 -1.572) 16.196 8.908 ( 1.447 16.054 -1.572) 16.196 9.162 ( -4.019 16.102 2.458) 16.777 9.162 ( 4.019 16.102 2.458) 16.777 9.376 ( -1.889 14.468 -2.304) 14.772 9.376 ( 1.889 14.468 -2.304) 14.772 10.119 ( -2.118 4.025 2.957) 5.425 10.119 ( 2.118 4.025 2.957) 5.425 10.317 ( -5.412 -0.842 -0.240) 5.482 10.317 ( 5.412 -0.842 -0.240) 5.482 10.374 ( -2.615 1.312 2.300) 3.721 10.374 ( 2.615 1.312 2.300) 3.721 10.748 ( -4.105 6.139 -3.108) 8.012 10.748 ( 4.105 6.139 -3.108) 8.012 11.201 ( -1.173 -4.454 0.320) 4.617 11.201 ( 1.173 -4.454 0.320) 4.617 11.426 ( -1.153 -7.319 1.355) 7.532 11.426 ( 1.153 -7.319 1.355) 7.532 11.803 ( -1.836 0.520 1.274) 2.294 11.803 ( 1.836 0.520 1.274) 2.294 12.062 ( -2.999 -1.083 -4.116) 5.207 12.062 ( 2.999 -1.083 -4.116) 5.207 12.247 ( -6.117 -3.977 3.607) 8.139 12.247 ( 6.117 -3.977 3.607) 8.139 12.496 ( -5.738 -8.346 -1.354) 10.218 12.496 ( 5.738 -8.346 -1.354) 10.218 13.372 ( -0.585 6.864 0.893) 6.947 13.372 ( 0.585 6.864 0.893) 6.947 13.472 ( -0.375 20.058 -1.443) 20.113 13.472 ( 0.375 20.058 -1.443) 20.113 13.923 ( -2.040 20.113 3.547) 20.525 13.923 ( 2.040 20.113 3.547) 20.525 14.406 ( -9.065 23.321 -8.495) 26.424 14.406 ( 9.065 23.321 -8.495) 26.424 17.027 ( -0.705 -2.030 10.095) 10.322 17.027 ( 0.705 -2.030 10.095) 10.322 17.706 ( -4.874 -13.313 -6.217) 15.480 17.706 ( 4.874 -13.313 -6.217) 15.480 18.768 ( -5.222 -4.310 0.995) 6.844 18.768 ( 5.222 -4.310 0.995) 6.844 19.137 ( -5.184 -6.885 -0.373) 8.626 19.137 ( 5.184 -6.885 -0.373) 8.626 19.363 ( -5.798 -6.222 3.465) 9.184 19.363 ( 5.798 -6.222 3.465) 9.184 19.680 ( -1.753 -13.658 -3.286) 14.157 19.680 ( 1.753 -13.658 -3.286) 14.157 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 0.000 -11.034 5.180) 12.189 1.834 ( 0.000 -2.454 2.554) 3.542 1.855 ( 0.000 -11.917 5.717) 13.217 1.902 ( 0.000 -9.322 -0.671) 9.346 2.029 ( 0.000 -1.915 -4.218) 4.632 2.136 ( 0.000 -5.983 -0.547) 6.008 2.254 ( 0.000 -8.084 -1.968) 8.320 2.317 ( 0.000 2.717 1.385) 3.049 2.423 ( 0.000 -2.106 4.996) 5.422 2.574 ( 0.000 -1.420 -2.162) 2.587 2.586 ( 0.000 9.749 -4.502) 10.739 2.887 ( 0.000 2.189 -0.415) 2.228 2.972 ( 0.000 0.260 5.127) 5.134 3.090 ( 0.000 -0.872 -6.120) 6.182 3.149 ( 0.000 -9.868 -0.015) 9.868 3.375 ( 0.000 -4.230 5.881) 7.244 3.431 ( 0.000 -9.964 3.715) 10.634 3.670 ( 0.000 0.133 1.674) 1.679 3.763 ( 0.000 1.857 0.133) 1.862 3.870 ( 0.000 -1.437 -3.706) 3.975 3.876 ( 0.000 5.753 -3.619) 6.797 3.941 ( 0.000 2.072 2.991) 3.639 4.064 ( 0.000 -0.013 -8.056) 8.056 4.298 ( 0.000 -2.099 -10.944) 11.143 4.383 ( 0.000 0.798 -2.857) 2.966 4.391 ( 0.000 5.232 -7.525) 9.165 4.515 ( 0.000 0.426 -0.459) 0.626 4.708 ( 0.000 5.171 -3.765) 6.396 5.005 ( 0.000 -0.513 -6.132) 6.153 5.007 ( 0.000 2.747 2.043) 3.424 5.035 ( 0.000 1.158 3.891) 4.060 5.168 ( 0.000 3.666 -4.462) 5.775 5.255 ( 0.000 -0.833 6.624) 6.676 5.442 ( 0.000 0.208 9.055) 9.057 5.471 ( 0.000 12.210 6.523) 13.843 5.529 ( 0.000 6.933 1.672) 7.132 5.780 ( 0.000 2.685 -1.431) 3.042 5.876 ( 0.000 -5.376 7.772) 9.450 5.987 ( 0.000 -0.219 5.464) 5.469 6.022 ( 0.000 -1.028 -0.752) 1.274 6.252 ( 0.000 7.419 -0.651) 7.448 6.475 ( 0.000 3.133 2.470) 3.989 6.487 ( 0.000 -1.525 -1.450) 2.104 6.516 ( 0.000 -1.198 0.968) 1.540 6.738 ( 0.000 5.116 -3.808) 6.377 6.762 ( 0.000 11.037 -0.942) 11.078 6.777 ( 0.000 5.078 -1.811) 5.392 6.866 ( 0.000 6.455 -0.503) 6.474 6.924 ( 0.000 9.609 -0.885) 9.650 7.051 ( 0.000 5.534 -4.151) 6.918 7.128 ( 0.000 18.135 3.181) 18.411 7.250 ( 0.000 12.046 -0.584) 12.060 7.771 ( 0.000 2.592 5.007) 5.638 7.865 ( 0.000 9.106 1.893) 9.301 7.981 ( 0.000 -3.539 -0.796) 3.627 7.986 ( 0.000 -0.655 2.767) 2.843 8.222 ( 0.000 -2.295 2.172) 3.160 8.380 ( 0.000 -4.213 -2.375) 4.836 8.395 ( 0.000 -5.569 -2.364) 6.050 8.524 ( 0.000 0.632 -7.341) 7.368 9.025 ( 0.000 15.444 -0.150) 15.445 9.047 ( 0.000 14.173 2.516) 14.395 9.141 ( 0.000 16.030 1.942) 16.147 9.191 ( 0.000 15.142 -5.790) 16.211 9.395 ( 0.000 14.136 3.257) 14.506 9.489 ( 0.000 13.189 1.485) 13.273 9.619 ( 0.000 10.106 -5.755) 11.630 9.688 ( 0.000 11.215 -3.199) 11.662 10.010 ( 0.000 -6.926 1.592) 7.106 10.092 ( 0.000 -5.623 -0.625) 5.657 10.202 ( 0.000 -1.808 4.042) 4.428 10.426 ( 0.000 -4.470 -2.352) 5.051 10.437 ( 0.000 10.431 3.603) 11.036 10.588 ( 0.000 5.354 4.898) 7.256 10.704 ( 0.000 5.522 -3.175) 6.370 10.909 ( 0.000 0.960 -2.269) 2.464 11.061 ( 0.000 -6.565 1.111) 6.658 11.166 ( 0.000 -6.274 1.886) 6.551 11.226 ( 0.000 -7.284 -1.018) 7.355 11.275 ( 0.000 -7.183 -0.029) 7.184 11.793 ( 0.000 2.243 -0.598) 2.321 11.866 ( 0.000 1.692 2.704) 3.190 11.911 ( 0.000 -1.963 -3.192) 3.747 12.018 ( 0.000 -3.939 2.524) 4.679 12.030 ( 0.000 -3.019 0.112) 3.021 12.258 ( 0.000 -7.522 -3.990) 8.515 12.320 ( 0.000 -4.194 2.815) 5.051 12.494 ( 0.000 -8.745 -0.917) 8.793 13.171 ( 0.000 -15.584 0.276) 15.587 13.200 ( 0.000 -17.576 -0.294) 17.579 13.295 ( 0.000 -10.245 0.943) 10.289 13.332 ( 0.000 -14.569 -0.015) 14.569 14.976 ( 0.000 61.241 0.616) 61.244 14.997 ( 0.000 59.294 1.674) 59.318 15.134 ( 0.000 55.587 -3.044) 55.670 15.333 ( 0.000 43.185 -7.708) 43.868 17.007 ( 0.000 0.596 6.231) 6.259 17.024 ( 0.000 -0.289 8.203) 8.208 17.400 ( 0.000 -8.884 -4.130) 9.797 17.536 ( 0.000 -13.641 -3.793) 14.158 18.484 ( 0.000 -5.397 1.381) 5.571 18.652 ( 0.000 -7.578 -3.853) 8.502 18.823 ( 0.000 -11.512 4.248) 12.270 18.967 ( 0.000 -17.084 -0.082) 17.085 19.142 ( 0.000 -12.121 1.490) 12.212 19.287 ( 0.000 -20.563 -1.791) 20.641 19.413 ( 0.000 -8.847 0.310) 8.853 19.485 ( 0.000 -11.524 -1.044) 11.571 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.25 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -0.639 -10.355 5.312) 11.656 1.720 ( -5.682 -8.225 5.156) 11.248 1.870 ( 2.707 -5.021 1.702) 5.953 1.996 ( -1.997 -5.604 -3.484) 6.894 2.073 ( 7.960 -7.263 -3.605) 11.362 2.170 ( 3.137 -7.132 -0.529) 7.810 2.264 ( 0.067 -4.195 -0.729) 4.259 2.303 ( -0.346 -2.085 1.939) 2.869 2.418 ( -0.529 0.667 5.578) 5.643 2.487 ( -4.307 3.720 2.851) 6.365 2.703 ( 7.313 6.186 -7.870) 12.398 2.911 ( 0.906 2.938 -2.544) 3.990 3.002 ( 2.296 -4.385 6.022) 7.795 3.069 ( -2.293 -4.403 -6.610) 8.267 3.152 ( 1.076 -6.075 0.726) 6.213 3.336 ( -5.490 -7.567 5.447) 10.820 3.417 ( 1.056 -3.074 2.529) 4.119 3.573 ( -5.908 -0.269 3.735) 6.995 3.766 ( 0.371 1.675 -2.432) 2.976 3.838 ( -3.076 4.901 -2.324) 6.235 3.938 ( 3.003 -0.558 -0.954) 3.200 3.977 ( 3.568 1.477 -2.246) 4.467 4.084 ( 1.668 -1.378 -7.208) 7.525 4.266 ( -3.657 -3.395 -8.695) 10.025 4.329 ( -2.200 2.600 -5.217) 6.230 4.422 ( -0.736 2.623 -4.789) 5.510 4.480 ( -0.846 2.686 -2.263) 3.613 4.624 ( -5.672 2.706 -4.594) 7.785 4.958 ( -0.582 -0.305 2.866) 2.940 5.024 ( -1.339 3.523 5.463) 6.637 5.061 ( 1.074 1.208 1.674) 2.327 5.185 ( 2.107 5.211 0.543) 5.647 5.313 ( -2.660 3.661 4.465) 6.358 5.399 ( 3.732 5.047 3.351) 7.116 5.470 ( 0.989 4.967 5.501) 7.477 5.558 ( 1.153 3.768 -0.403) 3.961 5.805 ( 1.954 3.274 -0.405) 3.834 5.875 ( -0.331 2.072 3.778) 4.321 5.986 ( 2.766 -2.971 3.791) 5.554 6.140 ( 3.614 -2.163 -3.151) 5.260 6.249 ( 1.688 4.135 1.571) 4.734 6.430 ( -2.900 2.634 0.073) 3.919 6.458 ( -2.964 -1.758 0.203) 3.452 6.501 ( -1.307 -1.162 1.298) 2.178 6.757 ( 2.679 3.958 -1.634) 5.051 6.785 ( 1.278 4.918 -1.668) 5.348 6.799 ( 1.746 7.931 -0.494) 8.136 6.876 ( 0.234 5.485 0.395) 5.504 6.954 ( 2.902 11.845 -0.231) 12.197 7.063 ( 1.379 9.717 -2.871) 10.226 7.115 ( -1.318 17.087 3.042) 17.405 7.211 ( -3.464 12.608 0.741) 13.096 7.767 ( -0.128 3.561 4.403) 5.664 7.835 ( -2.665 8.716 2.540) 9.462 7.966 ( 1.264 -2.284 -2.187) 3.406 8.042 ( 1.980 -0.264 -1.063) 2.263 8.220 ( -0.308 -0.631 0.252) 0.746 8.316 ( -3.823 -5.538 -2.432) 7.156 8.418 ( -0.413 -3.466 -1.824) 3.938 8.462 ( -3.553 -2.803 -3.164) 5.522 9.026 ( 0.685 15.391 0.080) 15.407 9.070 ( -0.130 14.832 1.552) 14.913 9.147 ( 2.268 14.797 -0.082) 14.970 9.215 ( 1.241 14.489 -3.756) 15.019 9.406 ( 1.283 13.859 3.104) 14.260 9.491 ( -0.350 13.013 1.031) 13.058 9.608 ( -0.709 9.600 -3.901) 10.387 9.660 ( -2.260 10.168 -2.719) 10.765 10.066 ( 4.380 -3.644 0.167) 5.700 10.114 ( 2.274 -5.658 -0.484) 6.117 10.191 ( -0.745 -1.928 3.620) 4.168 10.366 ( -5.277 -3.704 -1.067) 6.535 10.450 ( 1.413 9.950 3.584) 10.669 10.557 ( -2.771 6.541 3.302) 7.834 10.752 ( 3.871 3.855 -2.363) 5.952 10.887 ( -2.040 1.317 -2.150) 3.243 11.073 ( 1.071 -6.132 0.305) 6.232 11.144 ( -2.005 -5.685 0.644) 6.063 11.235 ( 1.151 -8.121 0.317) 8.209 11.279 ( -0.033 -8.183 0.278) 8.188 11.804 ( 1.028 2.252 0.057) 2.476 11.855 ( -1.019 1.823 2.360) 3.151 11.953 ( 3.705 -1.716 -3.368) 5.293 12.043 ( 0.901 -2.797 -0.635) 3.006 12.063 ( 4.083 -3.874 2.137) 6.020 12.259 ( -0.195 -7.079 -2.495) 7.509 12.280 ( -2.958 -4.756 2.222) 6.026 12.443 ( -4.771 -8.498 -0.769) 9.776 13.185 ( 1.383 -15.022 0.329) 15.089 13.214 ( 1.341 -17.293 -0.274) 17.347 13.273 ( -1.996 -11.420 0.837) 11.624 13.306 ( -2.287 -15.300 -0.028) 15.470 14.978 ( 0.212 61.129 0.703) 61.133 14.992 ( -0.403 59.827 1.409) 59.844 15.156 ( 2.157 54.072 -3.456) 54.225 15.295 ( -3.447 45.445 -6.730) 46.070 17.007 ( 0.053 0.579 6.459) 6.486 17.018 ( -0.434 -0.029 7.602) 7.614 17.419 ( 1.780 -9.486 -4.051) 10.467 17.514 ( -1.984 -12.832 -3.888) 13.554 18.543 ( 5.074 -6.483 1.362) 8.345 18.685 ( 1.230 -8.734 -2.652) 9.210 18.843 ( 3.033 -11.300 3.005) 12.079 18.966 ( -0.329 -16.688 -0.270) 16.694 19.149 ( 0.977 -11.597 1.640) 11.753 19.305 ( 0.888 -17.947 -1.994) 18.079 19.348 ( -4.777 -9.700 0.959) 10.855 19.455 ( -2.972 -13.189 -1.336) 13.585 ======================= Grid point 102 (42/72) ======================= q-point: (-0.50 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -1.614 -8.928 5.597) 10.660 1.647 ( 1.614 -8.928 5.597) 10.660 1.935 ( -3.444 -5.050 -1.515) 6.298 1.935 ( 3.444 -5.050 -1.515) 6.298 2.187 ( -2.648 -8.179 -5.672) 10.300 2.187 ( 2.648 -8.179 -5.672) 10.300 2.288 ( -2.039 -2.307 3.831) 4.915 2.288 ( 2.039 -2.307 3.831) 4.915 2.421 ( -1.543 1.964 5.147) 5.721 2.421 ( 1.543 1.964 5.147) 5.721 2.854 ( -6.626 7.582 -7.030) 12.280 2.854 ( 6.626 7.582 -7.030) 12.280 3.034 ( -0.904 -10.565 2.226) 10.835 3.034 ( 0.904 -10.565 2.226) 10.835 3.214 ( -5.136 -3.546 0.508) 6.262 3.214 ( 5.136 -3.546 0.508) 6.262 3.473 ( -4.075 -1.192 3.717) 5.643 3.473 ( 4.075 -1.192 3.717) 5.643 3.784 ( -1.782 2.387 -1.119) 3.182 3.784 ( 1.782 2.387 -1.119) 3.182 3.996 ( -2.018 2.385 -3.982) 5.061 3.996 ( 2.018 2.385 -3.982) 5.061 4.148 ( -5.415 -5.510 -6.792) 10.287 4.148 ( 5.415 -5.510 -6.792) 10.287 4.356 ( -3.650 4.615 -2.902) 6.561 4.356 ( 3.650 4.615 -2.902) 6.561 4.527 ( -4.006 1.252 -5.442) 6.873 4.527 ( 4.006 1.252 -5.442) 6.873 4.978 ( -2.257 1.674 5.906) 6.540 4.978 ( 2.257 1.674 5.906) 6.540 5.116 ( -4.619 2.293 5.268) 7.372 5.116 ( 4.619 2.293 5.268) 7.372 5.378 ( -5.089 9.345 1.939) 10.815 5.378 ( 5.089 9.345 1.939) 10.815 5.540 ( -3.208 1.290 0.383) 3.479 5.540 ( 3.208 1.290 0.383) 3.479 5.848 ( -2.146 3.991 2.591) 5.220 5.848 ( 2.146 3.991 2.591) 5.220 6.085 ( -5.916 -1.636 -4.054) 7.356 6.085 ( 5.916 -1.636 -4.054) 7.356 6.339 ( -5.223 -0.370 1.633) 5.485 6.339 ( 5.223 -0.370 1.633) 5.485 6.460 ( -2.153 -0.563 0.681) 2.327 6.460 ( 2.153 -0.563 0.681) 2.327 6.804 ( -0.871 4.194 -1.204) 4.450 6.804 ( 0.871 4.194 -1.204) 4.450 6.842 ( -3.546 3.276 0.655) 4.872 6.842 ( 3.546 3.276 0.655) 4.872 7.036 ( -4.427 16.105 2.193) 16.846 7.036 ( 4.427 16.105 2.193) 16.846 7.136 ( -3.558 13.293 0.210) 13.763 7.136 ( 3.558 13.293 0.210) 13.763 7.781 ( -1.879 6.361 3.279) 7.399 7.781 ( 1.879 6.361 3.279) 7.399 8.027 ( -3.380 -0.530 -4.235) 5.444 8.027 ( 3.380 -0.530 -4.235) 5.444 8.235 ( -3.101 -0.553 -2.881) 4.269 8.235 ( 3.101 -0.553 -2.881) 4.269 8.422 ( -1.606 -6.135 0.890) 6.404 8.422 ( 1.606 -6.135 0.890) 6.404 9.047 ( -1.344 15.400 0.163) 15.459 9.047 ( 1.344 15.400 0.163) 15.459 9.206 ( -2.338 13.917 -1.389) 14.180 9.206 ( 2.338 13.917 -1.389) 14.180 9.453 ( -3.016 13.012 1.748) 13.471 9.453 ( 3.016 13.012 1.748) 13.471 9.617 ( -1.669 9.557 -2.499) 10.018 9.617 ( 1.669 9.557 -2.499) 10.018 10.130 ( -1.931 -2.012 0.181) 2.794 10.130 ( 1.931 -2.012 0.181) 2.794 10.243 ( -6.211 -4.062 0.626) 7.448 10.243 ( 6.211 -4.062 0.626) 7.448 10.495 ( -2.962 8.501 3.318) 9.594 10.495 ( 2.962 8.501 3.318) 9.594 10.831 ( -3.588 2.270 -2.288) 4.823 10.831 ( 3.588 2.270 -2.288) 4.823 11.102 ( -1.853 -5.575 -0.069) 5.875 11.102 ( 1.853 -5.575 -0.069) 5.875 11.264 ( -1.386 -8.877 0.752) 9.016 11.264 ( 1.386 -8.877 0.752) 9.016 11.830 ( -1.417 2.115 1.351) 2.882 11.830 ( 1.417 2.115 1.351) 2.882 12.027 ( -2.785 -2.001 -2.995) 4.553 12.027 ( 2.785 -2.001 -2.995) 4.553 12.168 ( -5.822 -3.818 2.256) 7.319 12.168 ( 5.822 -3.818 2.256) 7.319 12.330 ( -5.414 -8.241 -0.830) 9.895 12.330 ( 5.414 -8.241 -0.830) 9.895 13.223 ( -2.156 -13.485 0.395) 13.662 13.223 ( 2.156 -13.485 0.395) 13.662 13.256 ( -2.268 -16.554 0.013) 16.709 13.256 ( 2.268 -16.554 0.013) 16.709 14.984 ( -0.386 60.671 0.979) 60.680 14.984 ( 0.386 60.671 0.979) 60.680 15.217 ( -3.785 50.133 -4.829) 50.507 15.217 ( 3.785 50.133 -4.829) 50.507 17.010 ( -0.311 0.388 6.860) 6.878 17.010 ( 0.311 0.388 6.860) 6.878 17.465 ( -2.647 -11.067 -3.980) 12.055 17.465 ( 2.647 -11.067 -3.980) 12.055 18.647 ( -4.397 -8.480 0.647) 9.574 18.647 ( 4.397 -8.480 0.647) 9.574 18.932 ( -3.726 -14.308 -0.246) 14.787 18.932 ( 3.726 -14.308 -0.246) 14.787 19.207 ( -5.399 -9.184 1.527) 10.763 19.207 ( 5.399 -9.184 1.527) 10.763 19.380 ( -3.943 -16.324 -1.550) 16.865 19.380 ( 3.943 -16.324 -1.550) 16.865 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.000 -0.926 3.905) 4.013 1.650 ( 0.000 -6.308 7.326) 9.667 1.693 ( 0.000 -7.954 0.048) 7.954 1.811 ( 0.000 -3.850 2.329) 4.500 1.927 ( 0.000 -11.000 -1.607) 11.117 1.954 ( 0.000 -5.991 -4.294) 7.371 2.063 ( 0.000 -9.160 -1.461) 9.276 2.103 ( 0.000 -11.397 1.470) 11.491 2.568 ( 0.000 7.462 1.089) 7.541 2.623 ( 0.000 5.380 3.639) 6.495 2.751 ( 0.000 2.690 -0.209) 2.698 2.901 ( 0.000 -11.777 6.395) 13.401 2.953 ( 0.000 3.971 5.664) 6.917 3.025 ( 0.000 8.894 0.815) 8.931 3.188 ( 0.000 4.703 -5.763) 7.439 3.253 ( 0.000 -7.893 2.914) 8.414 3.472 ( 0.000 9.466 -4.606) 10.527 3.674 ( 0.000 0.157 0.604) 0.624 3.733 ( 0.000 -3.431 -0.307) 3.445 3.822 ( 0.000 -4.304 -4.849) 6.484 3.950 ( 0.000 2.334 -6.023) 6.459 3.975 ( 0.000 2.008 -0.344) 2.037 4.037 ( 0.000 -2.479 -9.997) 10.300 4.146 ( 0.000 -8.428 -9.704) 12.853 4.440 ( 0.000 3.598 -5.212) 6.333 4.474 ( 0.000 2.611 -7.818) 8.242 4.609 ( 0.000 5.968 -4.741) 7.622 4.762 ( 0.000 0.060 -7.028) 7.028 4.986 ( 0.000 -0.335 -1.131) 1.179 5.027 ( 0.000 -0.943 4.539) 4.636 5.057 ( 0.000 1.770 2.093) 2.741 5.163 ( 0.000 -2.938 -2.762) 4.032 5.277 ( 0.000 2.971 12.859) 13.197 5.415 ( 0.000 -2.340 12.291) 12.512 5.636 ( 0.000 4.666 7.175) 8.559 5.654 ( 0.000 3.579 8.480) 9.204 5.814 ( 0.000 -0.273 2.151) 2.168 5.826 ( 0.000 1.709 -1.527) 2.292 5.992 ( 0.000 0.715 3.520) 3.592 6.015 ( 0.000 -0.089 0.252) 0.267 6.384 ( 0.000 5.160 -0.287) 5.168 6.461 ( 0.000 -0.975 -0.363) 1.040 6.510 ( 0.000 0.612 2.114) 2.201 6.519 ( 0.000 1.201 2.086) 2.407 6.789 ( 0.000 2.477 -1.883) 3.112 6.846 ( 0.000 1.758 -2.539) 3.088 6.891 ( 0.000 3.862 -0.932) 3.973 6.937 ( 0.000 1.359 -1.791) 2.249 7.128 ( 0.000 8.599 -4.828) 9.862 7.187 ( 0.000 5.433 -7.013) 8.871 7.415 ( 0.000 10.467 2.507) 10.763 7.445 ( 0.000 7.559 0.660) 7.588 7.822 ( 0.000 2.221 5.831) 6.240 7.899 ( 0.000 -2.714 0.818) 2.834 7.990 ( 0.000 1.435 3.639) 3.912 8.066 ( 0.000 8.489 1.131) 8.564 8.150 ( 0.000 -4.566 3.500) 5.753 8.304 ( 0.000 -3.987 -1.796) 4.373 8.344 ( 0.000 0.864 -3.056) 3.175 8.493 ( 0.000 -3.581 -5.986) 6.975 9.287 ( 0.000 9.852 2.335) 10.125 9.300 ( 0.000 12.015 -0.591) 12.029 9.390 ( 0.000 8.938 2.011) 9.162 9.452 ( 0.000 10.865 -4.971) 11.948 9.622 ( 0.000 8.931 0.944) 8.980 9.713 ( 0.000 7.347 1.739) 7.550 9.751 ( 0.000 3.210 -4.354) 5.410 9.829 ( 0.000 1.395 -1.451) 2.013 9.888 ( 0.000 -2.906 1.048) 3.090 10.000 ( 0.000 -1.495 -2.924) 3.284 10.149 ( 0.000 -2.894 2.828) 4.046 10.315 ( 0.000 -6.899 -2.180) 7.235 10.657 ( 0.000 11.242 2.315) 11.477 10.708 ( 0.000 6.645 3.931) 7.721 10.792 ( 0.000 3.490 -1.401) 3.761 10.902 ( 0.000 -1.180 -0.447) 1.261 10.950 ( 0.000 -4.263 1.232) 4.437 11.038 ( 0.000 -6.168 1.094) 6.264 11.080 ( 0.000 -7.815 -0.820) 7.858 11.123 ( 0.000 -7.833 -0.443) 7.845 11.844 ( 0.000 2.982 -0.011) 2.982 11.890 ( 0.000 -0.183 -1.296) 1.309 11.917 ( 0.000 3.499 0.940) 3.623 11.949 ( 0.000 -2.986 1.331) 3.269 11.970 ( 0.000 -3.109 0.213) 3.116 12.118 ( 0.000 -6.661 -2.667) 7.175 12.258 ( 0.000 -1.857 1.182) 2.201 12.343 ( 0.000 -6.343 -0.633) 6.375 12.911 ( 0.000 -9.741 0.136) 9.742 12.922 ( 0.000 -10.235 -0.080) 10.235 13.102 ( 0.000 -8.256 0.400) 8.265 13.104 ( 0.000 -7.816 0.415) 7.827 16.052 ( 0.000 45.943 -0.780) 45.950 16.068 ( 0.000 46.936 -0.056) 46.936 16.141 ( 0.000 43.508 -2.428) 43.576 16.174 ( 0.000 38.349 -4.278) 38.586 17.044 ( 0.000 3.118 3.475) 4.669 17.058 ( 0.000 4.407 5.769) 7.259 17.249 ( 0.000 -6.495 -1.822) 6.745 17.314 ( 0.000 -8.806 -0.811) 8.843 18.318 ( 0.000 -12.082 1.001) 12.123 18.427 ( 0.000 -16.010 -2.168) 16.156 18.511 ( 0.000 -20.497 1.652) 20.564 18.555 ( 0.000 -23.329 -0.051) 23.329 18.904 ( 0.000 -9.669 0.448) 9.679 18.929 ( 0.000 -12.586 -0.192) 12.587 19.275 ( 0.000 -5.011 -0.073) 5.012 19.293 ( 0.000 -6.944 -0.425) 6.957 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.392 -0.397 4.769) 4.802 1.609 ( -2.707 -1.480 7.483) 8.094 1.742 ( 3.396 -7.112 -1.404) 8.006 1.870 ( 4.316 -6.068 1.157) 7.536 1.887 ( -1.986 -10.618 -1.496) 10.905 1.985 ( 1.871 -8.438 -3.296) 9.250 2.069 ( 0.680 -10.200 -1.655) 10.356 2.111 ( -0.356 -12.395 1.890) 12.544 2.554 ( -0.458 8.385 2.663) 8.810 2.604 ( -1.661 6.567 4.276) 8.011 2.799 ( 3.038 -2.583 2.067) 4.491 2.881 ( -1.200 -7.977 3.042) 8.622 2.951 ( 1.146 5.283 2.064) 5.787 3.056 ( 1.347 4.849 1.211) 5.177 3.155 ( -1.819 1.977 -3.003) 4.029 3.243 ( -1.894 -2.670 3.061) 4.481 3.499 ( 2.033 8.689 -5.142) 10.299 3.597 ( -3.632 3.044 0.013) 4.739 3.782 ( 1.860 -1.207 -3.222) 3.911 3.851 ( 0.365 -5.967 -1.707) 6.217 3.914 ( -0.968 2.786 -5.161) 5.944 3.988 ( 2.059 -0.089 -3.763) 4.291 4.047 ( 0.366 -2.962 -9.518) 9.975 4.105 ( -4.206 -8.201 -8.194) 12.333 4.415 ( -1.172 4.050 -6.069) 7.389 4.471 ( -0.570 1.388 -8.702) 8.830 4.551 ( -4.351 3.639 -5.490) 7.894 4.650 ( -7.095 -0.117 -5.737) 9.125 4.967 ( 1.438 1.467 6.755) 7.060 5.046 ( 1.994 -1.824 5.618) 6.234 5.109 ( -2.057 4.633 7.773) 9.280 5.225 ( 1.342 -0.127 6.981) 7.110 5.345 ( 3.939 0.373 2.899) 4.905 5.405 ( 5.760 -2.245 2.345) 6.611 5.580 ( -0.485 4.432 6.496) 7.879 5.642 ( -3.380 3.339 1.867) 5.105 5.872 ( 3.695 2.973 0.068) 4.743 5.908 ( 5.741 0.521 3.057) 6.525 5.971 ( -0.058 1.783 3.522) 3.948 6.076 ( 2.431 -3.235 -0.249) 4.054 6.347 ( -2.190 4.817 -0.020) 5.292 6.444 ( -3.269 0.035 0.264) 3.279 6.464 ( -2.581 0.316 1.297) 2.906 6.480 ( -2.649 -0.489 2.205) 3.481 6.810 ( 2.257 2.596 -1.415) 3.720 6.854 ( 0.707 1.933 -2.792) 3.469 6.891 ( -0.315 2.937 -1.469) 3.299 6.925 ( -1.475 0.904 -1.974) 2.625 7.186 ( 4.935 9.117 -1.518) 10.478 7.236 ( 4.536 6.156 -3.949) 8.606 7.387 ( -3.105 9.619 3.549) 10.713 7.414 ( -2.615 7.779 2.057) 8.461 7.833 ( 1.516 2.815 3.160) 4.496 7.910 ( 2.773 -1.545 -2.730) 4.187 7.998 ( -3.033 4.458 0.717) 5.439 8.077 ( 1.742 4.888 1.605) 5.432 8.168 ( 2.112 -4.761 3.678) 6.376 8.244 ( -3.752 -0.724 -3.597) 5.247 8.347 ( -0.662 -2.565 0.475) 2.692 8.424 ( -5.759 -2.689 -4.802) 7.966 9.294 ( 0.886 11.271 0.786) 11.333 9.324 ( 1.027 11.208 1.024) 11.301 9.391 ( 0.927 8.887 1.084) 9.001 9.454 ( -0.048 9.552 -3.541) 10.187 9.625 ( 0.150 8.444 1.055) 8.511 9.695 ( -3.100 5.138 -1.208) 6.121 9.714 ( -0.167 2.361 -0.177) 2.373 9.789 ( -2.217 2.588 -2.250) 4.084 9.996 ( 6.835 -2.371 -0.273) 7.240 10.039 ( 3.516 -0.176 -2.141) 4.121 10.144 ( -0.499 -2.405 2.221) 3.312 10.280 ( -3.514 -5.230 -1.778) 6.547 10.658 ( 0.273 10.622 2.324) 10.876 10.696 ( -1.099 7.314 3.061) 8.004 10.809 ( 1.632 2.201 -0.789) 2.851 10.886 ( -1.398 -0.938 -0.465) 1.747 10.964 ( 1.181 -4.514 0.751) 4.726 11.024 ( -1.344 -5.944 0.539) 6.118 11.079 ( 0.229 -7.796 -0.180) 7.802 11.115 ( -0.863 -8.245 -0.078) 8.290 11.857 ( 1.123 3.117 0.302) 3.327 11.905 ( -0.669 3.076 0.801) 3.248 11.934 ( 3.197 -0.115 -1.727) 3.636 11.987 ( 1.892 -2.865 0.150) 3.437 11.998 ( 4.115 -2.602 0.929) 4.957 12.118 ( 0.573 -6.757 -2.101) 7.099 12.217 ( -3.977 -1.853 1.192) 4.547 12.297 ( -4.441 -6.138 -0.514) 7.594 12.931 ( 2.041 -9.616 0.143) 9.832 12.940 ( 1.781 -10.052 -0.016) 10.208 13.064 ( -3.292 -8.572 0.354) 9.189 13.067 ( -3.352 -8.397 0.316) 9.047 16.055 ( 0.238 46.075 -0.703) 46.081 16.066 ( -0.204 46.752 -0.196) 46.753 16.143 ( 0.251 42.928 -2.588) 43.007 16.166 ( -0.691 39.336 -3.856) 39.531 17.045 ( 0.120 3.339 3.740) 5.016 17.054 ( -0.268 4.282 5.332) 6.844 17.258 ( 0.894 -6.803 -1.640) 7.054 17.304 ( -0.925 -8.434 -0.946) 8.537 18.351 ( 2.837 -13.354 0.915) 13.682 18.435 ( -0.109 -16.618 -1.142) 16.658 18.525 ( 1.559 -21.386 0.757) 21.457 18.559 ( 0.213 -23.403 -0.140) 23.404 18.936 ( 3.872 -7.713 0.610) 8.652 18.982 ( 4.856 -11.502 -0.447) 12.493 19.210 ( -6.011 -4.889 0.101) 7.749 19.239 ( -5.117 -7.670 -0.490) 9.233 ======================= Grid point 107 (45/72) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -1.989 0.607 6.437) 6.765 1.559 ( 1.989 0.607 6.437) 6.765 1.814 ( -3.683 -6.308 -2.538) 7.733 1.814 ( 3.683 -6.308 -2.538) 7.733 1.982 ( -3.580 -10.841 -0.047) 11.416 1.982 ( 3.580 -10.841 -0.047) 11.416 2.084 ( -1.178 -11.735 -0.188) 11.795 2.084 ( 1.178 -11.735 -0.188) 11.795 2.567 ( -1.646 8.121 4.330) 9.349 2.567 ( 1.646 8.121 4.330) 9.349 2.846 ( -2.304 -7.838 3.428) 8.859 2.846 ( 2.304 -7.838 3.428) 8.859 3.022 ( -4.691 7.522 -2.349) 9.171 3.022 ( 4.691 7.522 -2.349) 9.171 3.176 ( -3.778 -1.153 2.229) 4.536 3.176 ( 3.778 -1.153 2.229) 4.536 3.544 ( -2.412 7.192 -3.582) 8.389 3.544 ( 2.412 7.192 -3.582) 8.389 3.811 ( -2.043 -0.788 -2.183) 3.092 3.811 ( 2.043 -0.788 -2.183) 3.092 3.982 ( -5.272 -2.736 -4.215) 7.284 3.982 ( 5.272 -2.736 -4.215) 7.284 4.041 ( -0.798 -4.610 -8.535) 9.733 4.041 ( 0.798 -4.610 -8.535) 9.733 4.431 ( -2.966 3.568 -7.239) 8.599 4.431 ( 2.966 3.568 -7.239) 8.599 4.537 ( -3.761 -0.621 -6.320) 7.380 4.537 ( 3.761 -0.621 -6.320) 7.380 5.029 ( -4.304 3.418 9.955) 11.371 5.029 ( 4.304 3.418 9.955) 11.371 5.125 ( -5.841 -0.738 9.825) 11.454 5.125 ( 5.841 -0.738 9.825) 11.454 5.509 ( -7.758 3.309 -0.019) 8.434 5.509 ( 7.758 3.309 -0.019) 8.434 5.550 ( -3.299 0.229 0.803) 3.403 5.550 ( 3.299 0.229 0.803) 3.403 5.936 ( -2.054 4.327 2.311) 5.318 5.936 ( 2.054 4.327 2.311) 5.318 6.043 ( -5.098 -2.129 -0.632) 5.561 6.043 ( 5.098 -2.129 -0.632) 5.561 6.358 ( -3.452 2.146 1.804) 4.447 6.358 ( 3.452 2.146 1.804) 4.447 6.444 ( -0.697 -1.260 1.159) 1.848 6.444 ( 0.697 -1.260 1.159) 1.848 6.863 ( -1.346 2.216 -2.394) 3.529 6.863 ( 1.346 2.216 -2.394) 3.529 6.884 ( -1.072 1.347 -1.787) 2.481 6.884 ( 1.072 1.347 -1.787) 2.481 7.292 ( -4.866 9.353 2.359) 10.803 7.292 ( 4.866 9.353 2.359) 10.803 7.344 ( -4.337 6.986 1.788) 8.415 7.344 ( 4.337 6.986 1.788) 8.415 7.898 ( -4.898 5.152 0.247) 7.113 7.898 ( 4.898 5.152 0.247) 7.113 8.019 ( -6.416 -0.879 -5.005) 8.184 8.019 ( 6.416 -0.879 -5.005) 8.185 8.218 ( -1.718 0.140 1.335) 2.180 8.218 ( 1.718 0.140 1.335) 2.180 8.333 ( -1.327 -3.489 0.055) 3.733 8.333 ( 1.327 -3.489 0.055) 3.733 9.316 ( -1.180 11.736 0.683) 11.815 9.316 ( 1.180 11.736 0.683) 11.815 9.434 ( -2.184 8.516 -0.577) 8.811 9.434 ( 2.184 8.516 -0.577) 8.811 9.639 ( -1.781 5.486 0.165) 5.771 9.639 ( 1.781 5.486 0.165) 5.771 9.742 ( -2.276 3.054 -1.741) 4.188 9.742 ( 2.276 3.054 -1.741) 4.188 10.084 ( -1.751 -1.078 -0.308) 2.079 10.084 ( 1.751 -1.078 -0.308) 2.079 10.181 ( -5.525 -2.587 -0.671) 6.137 10.181 ( 5.525 -2.587 -0.671) 6.137 10.672 ( -1.069 9.021 2.447) 9.408 10.672 ( 1.069 9.021 2.447) 9.408 10.849 ( -2.160 0.073 -0.554) 2.231 10.849 ( 2.160 0.073 -0.554) 2.231 10.992 ( -1.616 -5.104 0.247) 5.359 10.992 ( 1.616 -5.104 0.247) 5.359 11.093 ( -1.074 -8.327 0.312) 8.402 11.093 ( 1.074 -8.327 0.312) 8.402 11.883 ( -1.331 3.246 0.685) 3.575 11.883 ( 1.331 3.246 0.685) 3.575 11.991 ( -1.754 -1.768 -1.728) 3.031 11.991 ( 1.754 -1.768 -1.728) 3.031 12.108 ( -5.841 -2.028 0.875) 6.244 12.108 ( 5.841 -2.028 0.875) 6.244 12.185 ( -5.524 -6.249 -0.327) 8.347 12.185 ( 5.524 -6.249 -0.327) 8.347 12.989 ( -1.574 -9.090 0.090) 9.225 12.989 ( 1.574 -9.090 0.090) 9.225 12.994 ( -1.261 -9.529 0.269) 9.616 12.994 ( 1.261 -9.529 0.269) 9.616 16.060 ( -0.300 46.388 -0.482) 46.391 16.060 ( 0.300 46.388 -0.482) 46.391 16.152 ( -0.616 41.331 -3.094) 41.451 16.152 ( 0.616 41.331 -3.094) 41.451 17.049 ( -0.247 3.858 4.456) 5.899 17.049 ( 0.247 3.858 4.456) 5.899 17.281 ( -1.284 -7.590 -1.272) 7.802 17.281 ( 1.284 -7.590 -1.272) 7.802 18.408 ( -2.371 -15.692 0.385) 15.874 18.408 ( 2.371 -15.692 0.385) 15.874 18.555 ( -0.847 -23.135 -0.185) 23.152 18.555 ( 0.847 -23.135 -0.185) 23.152 19.060 ( -7.405 -5.096 0.281) 8.994 19.060 ( 7.405 -5.096 0.281) 8.994 19.110 ( -6.676 -9.540 -0.413) 11.652 19.110 ( 6.676 -9.540 -0.413) 11.652 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 0.000 -4.071 1.660) 4.396 1.570 ( 0.000 4.071 1.660) 4.396 1.674 ( 0.000 -7.592 2.094) 7.875 1.674 ( 0.000 7.592 2.094) 7.875 1.850 ( 0.000 -2.293 0.287) 2.311 1.850 ( 0.000 2.293 0.287) 2.311 1.976 ( 0.000 -1.393 0.073) 1.395 1.976 ( 0.000 1.394 0.073) 1.396 2.705 ( 0.000 -6.942 4.506) 8.276 2.705 ( 0.000 6.942 4.506) 8.276 2.727 ( 0.000 -4.892 4.993) 6.990 2.727 ( 0.000 4.892 4.993) 6.990 3.082 ( 0.000 -6.342 0.076) 6.342 3.082 ( 0.000 6.342 0.076) 6.342 3.197 ( 0.000 -3.510 -0.680) 3.575 3.197 ( 0.000 3.510 -0.681) 3.575 3.658 ( 0.000 -5.733 -4.445) 7.254 3.658 ( 0.000 5.733 -4.445) 7.254 3.700 ( 0.000 -3.269 -3.034) 4.460 3.700 ( 0.000 3.269 -3.034) 4.460 3.986 ( 0.000 -2.160 -7.896) 8.187 3.986 ( 0.000 2.161 -7.896) 8.187 4.032 ( 0.000 -3.738 -5.106) 6.328 4.032 ( 0.000 3.738 -5.106) 6.328 4.488 ( 0.000 -1.007 -7.151) 7.221 4.488 ( 0.000 1.007 -7.151) 7.221 4.714 ( 0.000 -4.426 -7.963) 9.111 4.714 ( 0.000 4.426 -7.963) 9.111 4.999 ( 0.000 -1.360 3.166) 3.445 4.999 ( 0.000 1.360 3.166) 3.445 5.100 ( 0.000 -2.804 0.976) 2.969 5.100 ( 0.000 2.804 0.976) 2.969 5.350 ( 0.000 -3.961 14.176) 14.718 5.350 ( 0.000 3.961 14.176) 14.718 5.677 ( 0.000 -0.325 9.093) 9.099 5.677 ( 0.000 0.325 9.093) 9.099 5.835 ( 0.000 -0.913 -1.137) 1.458 5.835 ( 0.000 0.913 -1.137) 1.458 6.008 ( 0.000 -0.682 1.597) 1.736 6.008 ( 0.000 0.682 1.597) 1.736 6.443 ( 0.000 -1.355 -0.098) 1.358 6.443 ( 0.000 1.355 -0.098) 1.358 6.524 ( 0.000 -0.484 2.211) 2.263 6.524 ( 0.000 0.484 2.211) 2.263 6.840 ( 0.000 -2.060 -1.995) 2.867 6.840 ( 0.000 2.060 -1.995) 2.867 6.939 ( 0.000 -1.132 -1.501) 1.880 6.939 ( 0.000 1.132 -1.501) 1.880 7.226 ( 0.000 -1.449 -7.298) 7.441 7.226 ( 0.000 1.449 -7.298) 7.441 7.521 ( 0.000 -0.421 1.574) 1.629 7.521 ( 0.000 0.421 1.574) 1.629 7.856 ( 0.000 -1.667 3.928) 4.267 7.856 ( 0.000 1.667 3.928) 4.267 8.049 ( 0.000 -4.394 3.758) 5.782 8.049 ( 0.000 4.394 3.758) 5.782 8.215 ( 0.000 -5.720 -0.431) 5.736 8.215 ( 0.000 5.720 -0.431) 5.736 8.404 ( 0.000 -4.651 -3.982) 6.123 8.404 ( 0.000 4.652 -3.982) 6.123 9.410 ( 0.000 -1.827 1.270) 2.225 9.410 ( 0.000 1.827 1.270) 2.225 9.532 ( 0.000 -5.005 -0.986) 5.101 9.532 ( 0.000 5.005 -0.986) 5.101 9.734 ( 0.000 -4.211 -1.091) 4.350 9.734 ( 0.000 4.211 -1.091) 4.350 9.770 ( 0.000 -3.753 -1.279) 3.965 9.770 ( 0.000 3.753 -1.279) 3.965 9.969 ( 0.000 -5.580 0.663) 5.619 9.969 ( 0.000 5.580 0.663) 5.619 10.172 ( 0.000 -6.447 -1.693) 6.665 10.172 ( 0.000 6.447 -1.693) 6.665 10.814 ( 0.000 -2.969 1.629) 3.387 10.814 ( 0.000 2.970 1.629) 3.387 10.846 ( 0.000 -5.924 -0.046) 5.924 10.846 ( 0.000 5.924 -0.046) 5.924 10.932 ( 0.000 -4.477 1.282) 4.657 10.932 ( 0.000 4.477 1.282) 4.657 11.000 ( 0.000 -3.385 -0.071) 3.386 11.000 ( 0.000 3.385 -0.071) 3.386 11.902 ( 0.000 -0.378 0.069) 0.384 11.902 ( 0.000 0.378 0.069) 0.384 11.908 ( 0.000 -2.094 0.255) 2.109 11.908 ( 0.000 2.094 0.255) 2.109 12.002 ( 0.000 -5.153 -0.887) 5.229 12.002 ( 0.000 5.153 -0.887) 5.229 12.259 ( 0.000 -2.110 -0.089) 2.112 12.259 ( 0.000 2.110 -0.089) 2.112 12.816 ( 0.000 -0.330 0.014) 0.331 12.816 ( 0.000 0.330 0.014) 0.331 13.022 ( 0.000 -0.163 0.424) 0.454 13.022 ( 0.000 0.163 0.424) 0.455 16.581 ( 0.000 -2.391 -3.448) 4.196 16.581 ( 0.000 2.391 -3.448) 4.196 16.617 ( 0.000 -2.397 -1.750) 2.968 16.617 ( 0.000 2.397 -1.750) 2.968 17.139 ( 0.000 -5.628 1.536) 5.834 17.139 ( 0.000 5.628 1.536) 5.834 17.185 ( 0.000 -6.460 3.484) 7.340 17.185 ( 0.000 6.460 3.484) 7.340 18.162 ( 0.000 -4.045 -0.058) 4.045 18.162 ( 0.000 4.045 -0.057) 4.045 18.234 ( 0.000 -1.917 -0.005) 1.917 18.234 ( 0.000 1.917 -0.005) 1.917 18.815 ( 0.000 -0.379 0.103) 0.392 18.815 ( 0.000 0.379 0.103) 0.392 19.225 ( 0.000 -0.192 -0.202) 0.279 19.225 ( 0.000 0.192 -0.202) 0.279 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 2.783 -6.418 2.501) 7.429 1.602 ( 2.783 6.418 2.501) 7.429 1.683 ( 0.342 -7.764 2.187) 8.074 1.683 ( 0.342 7.764 2.187) 8.074 1.862 ( 1.275 -3.449 -0.898) 3.785 1.862 ( 1.275 3.449 -0.898) 3.785 1.959 ( -1.597 -1.329 0.581) 2.157 1.959 ( -1.597 1.329 0.581) 2.158 2.705 ( -0.206 -2.994 4.165) 5.134 2.705 ( -0.206 2.994 4.165) 5.134 2.724 ( -0.313 -2.913 4.956) 5.757 2.724 ( -0.313 2.913 4.956) 5.757 3.074 ( 0.780 -4.494 -0.712) 4.617 3.074 ( 0.780 4.494 -0.712) 4.617 3.197 ( -1.274 -3.436 0.969) 3.791 3.197 ( -1.274 3.436 0.969) 3.791 3.666 ( 1.454 -2.614 -5.282) 6.070 3.666 ( 1.454 2.615 -5.282) 6.070 3.723 ( 0.993 -2.407 -4.196) 4.939 3.723 ( 0.993 2.407 -4.196) 4.939 3.975 ( -0.818 -3.588 -6.891) 7.812 3.975 ( -0.818 3.588 -6.891) 7.812 4.006 ( -1.906 -2.446 -5.357) 6.189 4.006 ( -1.906 2.446 -5.357) 6.189 4.469 ( -0.984 -1.556 -8.085) 8.292 4.469 ( -0.984 1.556 -8.085) 8.292 4.619 ( -6.809 -2.973 -6.608) 9.944 4.619 ( -6.809 2.973 -6.608) 9.944 5.004 ( 2.536 -2.150 7.030) 7.776 5.004 ( 2.536 2.150 7.030) 7.776 5.193 ( -0.878 -3.278 9.370) 9.965 5.193 ( -0.878 3.278 9.370) 9.965 5.358 ( 6.603 -1.632 2.632) 7.293 5.358 ( 6.603 1.632 2.632) 7.294 5.649 ( -2.812 -2.285 4.814) 6.025 5.649 ( -2.812 2.285 4.814) 6.025 5.907 ( 5.614 -0.643 1.433) 5.829 5.907 ( 5.614 0.643 1.433) 5.829 6.021 ( 0.603 -2.647 1.575) 3.138 6.021 ( 0.603 2.647 1.575) 3.138 6.420 ( -1.811 -2.565 0.069) 3.141 6.420 ( -1.811 2.565 0.069) 3.141 6.472 ( -4.139 -0.679 2.076) 4.680 6.472 ( -4.139 0.679 2.076) 4.680 6.856 ( 1.416 -1.567 -2.217) 3.061 6.856 ( 1.416 1.567 -2.217) 3.061 6.927 ( -1.283 -0.789 -2.187) 2.656 6.927 ( -1.283 0.789 -2.187) 2.656 7.286 ( 5.144 -1.181 -3.335) 6.243 7.286 ( 5.144 1.181 -3.335) 6.243 7.487 ( -3.292 -0.715 3.192) 4.641 7.487 ( -3.292 0.715 3.192) 4.641 7.876 ( 2.789 -1.850 -0.413) 3.372 7.876 ( 2.789 1.850 -0.413) 3.373 8.070 ( -0.504 -3.982 1.840) 4.415 8.070 ( -0.504 3.982 1.840) 4.415 8.199 ( 0.121 -4.756 0.411) 4.776 8.199 ( 0.121 4.756 0.411) 4.776 8.357 ( -4.120 -3.294 -2.212) 5.720 8.357 ( -4.120 3.294 -2.212) 5.720 9.434 ( 2.175 -2.483 1.289) 3.543 9.434 ( 2.175 2.483 1.289) 3.543 9.517 ( -1.299 -5.001 -0.283) 5.175 9.517 ( -1.299 5.001 -0.283) 5.175 9.716 ( -0.795 -2.654 -1.355) 3.084 9.716 ( -0.795 2.654 -1.355) 3.084 9.757 ( -1.585 -3.870 -1.123) 4.330 9.757 ( -1.585 3.870 -1.123) 4.330 10.027 ( 4.824 -3.359 -0.065) 5.879 10.028 ( 4.824 3.359 -0.065) 5.879 10.166 ( -0.946 -5.528 -1.409) 5.783 10.166 ( -0.946 5.528 -1.409) 5.783 10.813 ( -0.062 -3.363 1.261) 3.592 10.813 ( -0.062 3.363 1.261) 3.592 10.835 ( -0.920 -5.670 0.077) 5.745 10.835 ( -0.920 5.670 0.077) 5.745 10.940 ( 0.761 -3.720 1.185) 3.978 10.940 ( 0.761 3.720 1.185) 3.978 10.987 ( -1.119 -3.159 0.218) 3.359 10.987 ( -1.119 3.159 0.218) 3.359 11.918 ( 1.271 -2.520 -0.107) 2.825 11.918 ( 1.271 2.520 -0.107) 2.825 11.948 ( 2.675 -0.505 0.042) 2.723 11.948 ( 2.675 0.505 0.042) 2.723 12.004 ( 1.365 -4.503 -0.555) 4.738 12.004 ( 1.365 4.503 -0.555) 4.738 12.216 ( -4.186 -1.971 -0.043) 4.627 12.216 ( -4.186 1.971 -0.043) 4.627 12.837 ( 2.063 -0.240 0.051) 2.078 12.837 ( 2.063 0.240 0.051) 2.078 12.980 ( -3.714 -0.144 0.343) 3.733 12.980 ( -3.714 0.144 0.343) 3.733 16.585 ( 0.433 -2.338 -3.174) 3.966 16.585 ( 0.433 2.338 -3.174) 3.966 16.611 ( -0.565 -2.372 -1.982) 3.142 16.611 ( -0.565 2.372 -1.982) 3.142 17.146 ( 0.643 -5.770 1.824) 6.085 17.146 ( 0.643 5.770 1.824) 6.085 17.178 ( -0.638 -6.365 3.202) 7.154 17.178 ( -0.638 6.365 3.202) 7.154 18.183 ( 1.679 -3.980 -0.059) 4.320 18.183 ( 1.679 3.980 -0.059) 4.320 18.230 ( -0.417 -2.438 -0.015) 2.473 18.230 ( -0.417 2.438 -0.015) 2.473 18.872 ( 5.466 -0.816 0.051) 5.527 18.872 ( 5.466 0.816 0.051) 5.527 19.164 ( -5.813 -0.386 -0.167) 5.828 19.164 ( -5.813 0.386 -0.167) 5.828 ======================= Grid point 114 (48/72) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -2.504 -8.586 2.748) 9.356 1.661 ( 2.462 -8.583 2.748) 9.343 1.661 ( -2.462 8.583 2.748) 9.343 1.661 ( 2.504 8.586 2.748) 9.356 1.910 ( -2.469 -4.280 -0.465) 4.963 1.910 ( 1.096 -4.135 -0.465) 4.303 1.910 ( -1.096 4.135 -0.465) 4.303 1.910 ( 2.469 4.280 -0.465) 4.963 2.709 ( -0.463 -6.667 4.287) 7.939 2.709 ( 0.396 -6.666 4.287) 7.935 2.709 ( -0.396 6.666 4.287) 7.935 2.709 ( 0.463 6.667 4.287) 7.939 3.134 ( -3.939 -3.696 0.359) 5.413 3.134 ( 1.687 -3.239 0.359) 3.670 3.134 ( -1.687 3.239 0.359) 3.670 3.134 ( 3.939 3.696 0.359) 5.413 3.710 ( -1.014 -8.461 -5.580) 10.186 3.710 ( 0.528 -8.450 -5.580) 10.140 3.710 ( -0.528 8.450 -5.580) 10.140 3.710 ( 1.014 8.461 -5.580) 10.186 3.974 ( -0.792 -2.073 -5.474) 5.907 3.974 ( 0.542 -2.053 -5.474) 5.871 3.974 ( -0.542 2.053 -5.474) 5.871 3.974 ( 0.792 2.073 -5.474) 5.907 4.499 ( -3.994 -2.946 -7.483) 8.979 4.499 ( 0.537 -2.182 -7.483) 7.813 4.499 ( -0.537 2.182 -7.483) 7.813 4.499 ( 3.994 2.946 -7.483) 8.979 5.093 ( -5.773 -2.644 11.083) 12.773 5.093 ( -5.652 2.578 11.083) 12.706 5.093 ( 5.652 -2.578 11.083) 12.706 5.093 ( 5.773 2.644 11.083) 12.773 5.543 ( -8.121 -1.031 0.240) 8.189 5.543 ( -8.070 0.927 0.240) 8.127 5.543 ( 8.070 -0.927 0.240) 8.127 5.543 ( 8.121 1.031 0.240) 8.189 6.003 ( -2.915 -2.446 1.664) 4.153 6.003 ( 2.248 -2.263 1.664) 3.597 6.003 ( -2.248 2.263 1.664) 3.598 6.003 ( 2.915 2.446 1.664) 4.153 6.407 ( -1.273 -2.464 1.348) 3.083 6.407 ( 1.003 -2.432 1.348) 2.956 6.407 ( -1.003 2.432 1.348) 2.956 6.407 ( 1.273 2.464 1.348) 3.083 6.892 ( -1.852 -0.463 -2.596) 3.223 6.892 ( -1.614 -0.092 -2.596) 3.059 6.892 ( 1.614 0.092 -2.596) 3.059 6.892 ( 1.852 0.463 -2.596) 3.223 7.397 ( -5.335 -1.380 2.348) 5.989 7.397 ( -4.975 0.989 2.348) 5.589 7.397 ( 4.975 -0.989 2.348) 5.589 7.397 ( 5.335 1.380 2.348) 5.989 7.977 ( -6.582 -3.137 -3.141) 7.939 7.977 ( -4.199 1.848 -3.141) 5.560 7.977 ( 4.199 -1.848 -3.141) 5.560 7.977 ( 6.582 3.137 -3.141) 7.939 8.263 ( -4.028 -3.448 1.358) 5.473 8.263 ( -0.437 -2.807 1.358) 3.149 8.263 ( 0.437 2.807 1.358) 3.149 8.263 ( 4.028 3.448 1.358) 5.473 9.482 ( -2.197 -4.139 0.839) 4.760 9.482 ( 2.115 -4.128 0.839) 4.714 9.482 ( -2.115 4.128 0.839) 4.714 9.482 ( 2.197 4.139 0.839) 4.760 9.722 ( -1.324 -4.021 -1.392) 4.457 9.722 ( 1.274 -4.017 -1.392) 4.438 9.722 ( -1.274 4.017 -1.392) 4.438 9.722 ( 1.324 4.021 -1.392) 4.457 10.120 ( -3.594 -3.579 -0.848) 5.143 10.120 ( 2.721 -3.381 -0.848) 4.422 10.120 ( -2.721 3.381 -0.848) 4.422 10.120 ( 3.594 3.579 -0.848) 5.143 10.817 ( -0.596 -4.769 0.547) 4.837 10.817 ( 0.589 -4.769 0.547) 4.836 10.817 ( -0.589 4.769 0.547) 4.836 10.817 ( 0.596 4.769 0.547) 4.837 10.961 ( -1.118 -3.672 0.796) 3.920 10.961 ( 0.943 -3.660 0.796) 3.862 10.961 ( -0.943 3.660 0.796) 3.862 10.961 ( 1.118 3.672 0.796) 3.920 11.948 ( -1.418 -2.960 -0.375) 3.303 11.948 ( 1.411 -2.959 -0.375) 3.299 11.948 ( -1.411 2.959 -0.375) 3.299 11.948 ( 1.418 2.960 -0.375) 3.303 12.103 ( -6.430 -1.812 0.038) 6.681 12.103 ( -5.808 1.175 0.038) 5.926 12.103 ( 5.808 -1.175 0.038) 5.926 12.103 ( 6.430 1.812 0.038) 6.681 12.898 ( -3.892 -0.059 0.174) 3.897 12.898 ( -3.892 0.046 0.174) 3.896 12.898 ( 3.892 -0.045 0.174) 3.896 12.898 ( 3.892 0.059 0.174) 3.897 16.597 ( -0.706 -2.367 -2.557) 3.556 16.597 ( 0.698 -2.366 -2.557) 3.553 16.597 ( -0.698 2.367 -2.557) 3.554 16.597 ( 0.706 2.367 -2.557) 3.556 17.162 ( -0.901 -6.119 2.517) 6.678 17.162 ( 0.899 -6.119 2.517) 6.677 17.162 ( -0.899 6.119 2.517) 6.677 17.162 ( 0.901 6.119 2.517) 6.678 18.214 ( -1.089 -3.971 -0.041) 4.118 18.214 ( 0.982 -3.964 -0.041) 4.084 18.214 ( -0.982 3.964 -0.041) 4.084 18.214 ( 1.089 3.971 -0.041) 4.118 19.016 ( -8.158 -0.778 -0.068) 8.195 19.016 ( -8.146 0.744 -0.068) 8.180 19.016 ( 8.146 -0.744 -0.068) 8.180 19.016 ( 8.158 0.778 -0.068) 8.195 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 0.000 0.000 21.195) 21.195 1.011 ( 0.000 0.000 24.093) 24.093 1.317 ( 0.000 0.000 -15.896) 15.896 1.449 ( 0.000 0.000 -14.700) 14.700 1.644 ( 0.000 0.000 26.963) 26.963 1.888 ( 0.000 0.000 7.674) 7.674 1.953 ( 0.000 0.000 -6.061) 6.061 2.018 ( 0.000 0.000 3.428) 3.428 2.092 ( 0.000 0.000 -4.142) 4.142 2.239 ( 0.000 0.000 -20.670) 20.670 2.679 ( 0.000 0.000 10.669) 10.669 2.705 ( 0.000 0.000 0.214) 0.214 2.724 ( 0.000 0.000 -1.662) 1.662 2.912 ( 0.000 0.000 -10.210) 10.210 2.930 ( 0.000 0.000 5.110) 5.110 3.010 ( 0.000 0.000 -2.785) 2.785 3.082 ( 0.000 0.000 6.791) 6.791 3.194 ( 0.000 0.000 -4.996) 4.996 3.391 ( 0.000 0.000 16.204) 16.204 3.695 ( 0.000 0.000 -12.580) 12.580 4.007 ( 0.000 0.000 14.678) 14.678 4.038 ( 0.000 0.000 0.005) 0.005 4.046 ( 0.000 0.000 -0.774) 0.774 4.215 ( 0.000 0.000 -5.214) 5.214 4.242 ( 0.000 0.000 1.642) 1.642 4.271 ( 0.000 0.000 -1.237) 1.237 4.465 ( 0.000 0.000 7.774) 7.774 4.504 ( 0.000 0.000 5.369) 5.369 4.591 ( 0.000 0.000 4.722) 4.722 4.614 ( 0.000 0.000 -7.531) 7.531 4.814 ( 0.000 0.000 -8.736) 8.736 4.880 ( 0.000 0.000 -6.809) 6.809 5.052 ( 0.000 0.000 -3.825) 3.825 5.106 ( 0.000 0.000 -6.817) 6.817 5.348 ( 0.000 0.000 2.694) 2.694 5.418 ( 0.000 0.000 -3.995) 3.995 5.510 ( 0.000 0.000 1.646) 1.646 5.542 ( 0.000 0.000 -1.471) 1.471 5.593 ( 0.000 0.000 1.615) 1.615 5.623 ( 0.000 0.000 -1.279) 1.279 5.800 ( 0.000 0.000 3.118) 3.118 5.905 ( 0.000 0.000 -6.467) 6.467 6.193 ( 0.000 0.000 1.808) 1.808 6.229 ( 0.000 0.000 -1.532) 1.532 6.526 ( 0.000 0.000 0.566) 0.566 6.546 ( 0.000 0.000 -1.418) 1.418 7.044 ( 0.000 0.000 0.944) 0.944 7.048 ( 0.000 0.000 1.178) 1.178 7.051 ( 0.000 0.000 1.674) 1.674 7.099 ( 0.000 0.000 -3.031) 3.031 7.215 ( 0.000 0.000 3.458) 3.458 7.274 ( 0.000 0.000 -2.080) 2.080 7.295 ( 0.000 0.000 7.169) 7.169 7.404 ( 0.000 0.000 -3.114) 3.114 7.459 ( 0.000 0.000 3.589) 3.589 7.508 ( 0.000 0.000 -1.322) 1.322 7.582 ( 0.000 0.000 0.010) 0.010 7.585 ( 0.000 0.000 -0.422) 0.422 7.828 ( 0.000 0.000 0.801) 0.801 7.849 ( 0.000 0.000 -1.300) 1.300 7.875 ( 0.000 0.000 0.320) 0.320 7.889 ( 0.000 0.000 -1.293) 1.293 8.442 ( 0.000 0.000 3.922) 3.922 8.517 ( 0.000 0.000 -3.257) 3.257 8.913 ( 0.000 0.000 -0.430) 0.430 8.920 ( 0.000 0.000 -1.532) 1.532 8.933 ( 0.000 0.000 3.895) 3.895 9.017 ( 0.000 0.000 -4.195) 4.195 9.483 ( 0.000 0.000 10.144) 10.144 9.633 ( 0.000 0.000 -3.814) 3.814 9.931 ( 0.000 0.000 6.062) 6.062 9.989 ( 0.000 0.000 1.256) 1.256 10.012 ( 0.000 0.000 -0.972) 0.972 10.092 ( 0.000 0.000 -9.780) 9.780 10.143 ( 0.000 0.000 2.067) 2.067 10.185 ( 0.000 0.000 -2.000) 2.000 10.555 ( 0.000 0.000 2.056) 2.056 10.602 ( 0.000 0.000 -2.482) 2.482 10.639 ( 0.000 0.000 1.797) 1.797 10.678 ( 0.000 0.000 -1.961) 1.961 11.439 ( 0.000 0.000 -0.144) 0.144 11.468 ( 0.000 0.000 -3.405) 3.405 11.747 ( 0.000 0.000 3.331) 3.331 11.783 ( 0.000 0.000 -0.112) 0.112 11.963 ( 0.000 0.000 -0.059) 0.059 12.008 ( 0.000 0.000 -4.522) 4.522 12.216 ( 0.000 0.000 7.270) 7.270 12.338 ( 0.000 0.000 -4.076) 4.076 12.630 ( 0.000 0.000 2.695) 2.695 12.714 ( 0.000 0.000 -5.837) 5.837 12.970 ( 0.000 0.000 10.641) 10.641 13.160 ( 0.000 0.000 -7.836) 7.836 15.462 ( 0.000 0.000 0.190) 0.190 15.468 ( 0.000 0.000 -0.420) 0.420 15.534 ( 0.000 0.000 1.208) 1.208 15.552 ( 0.000 0.000 -0.440) 0.440 17.514 ( 0.000 0.000 16.913) 16.913 17.864 ( 0.000 0.000 -17.286) 17.286 18.243 ( 0.000 0.000 0.033) 0.033 18.244 ( 0.000 0.000 -0.033) 0.033 18.245 ( 0.000 0.000 0.046) 0.046 18.245 ( 0.000 0.000 -0.046) 0.046 18.971 ( 0.000 0.000 3.525) 3.525 19.062 ( 0.000 0.000 -5.396) 5.396 19.283 ( 0.000 0.000 7.197) 7.197 19.415 ( 0.000 0.000 -5.724) 5.724 20.350 ( 0.000 0.000 9.431) 9.431 20.516 ( 0.000 0.000 -6.912) 6.912 ======================= Grid point 151 (50/72) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.032 0.000 19.683) 19.683 1.018 ( 7.126 0.000 16.655) 18.115 1.292 ( -3.006 0.000 -9.408) 9.876 1.320 ( -11.515 0.000 -13.398) 17.667 1.847 ( 3.740 0.000 6.692) 7.666 1.921 ( 18.235 0.000 22.565) 29.012 1.977 ( -1.307 0.000 -6.494) 6.624 1.983 ( -1.806 0.000 0.756) 1.958 2.063 ( -3.138 0.000 -6.165) 6.918 2.349 ( 9.393 0.000 -15.434) 18.068 2.612 ( -6.035 0.000 9.590) 11.331 2.726 ( 3.058 0.000 3.021) 4.298 2.789 ( 4.670 0.000 -2.990) 5.545 2.801 ( -10.180 0.000 -7.035) 12.374 2.897 ( -3.073 0.000 5.089) 5.944 2.976 ( -3.160 0.000 -2.805) 4.225 3.083 ( 0.610 0.000 8.991) 9.012 3.211 ( -0.833 0.000 0.701) 1.089 3.361 ( -0.185 0.000 8.709) 8.711 3.617 ( -6.681 0.000 -11.262) 13.095 4.032 ( 3.623 0.000 12.209) 12.735 4.063 ( 2.251 0.000 0.131) 2.254 4.074 ( 2.367 0.000 -0.941) 2.547 4.225 ( -1.449 0.000 1.469) 2.063 4.243 ( -0.909 0.000 -8.076) 8.127 4.250 ( -1.948 0.000 -1.025) 2.201 4.462 ( 1.274 0.000 8.259) 8.357 4.555 ( 5.701 0.000 6.130) 8.371 4.627 ( 1.728 0.000 -3.073) 3.526 4.711 ( 4.368 0.000 1.902) 4.764 4.762 ( -0.999 0.000 -9.017) 9.072 4.905 ( -5.374 0.000 -12.902) 13.976 5.008 ( 5.214 0.000 0.571) 5.246 5.093 ( -1.042 0.000 -5.618) 5.714 5.277 ( -5.501 0.000 0.704) 5.546 5.341 ( -7.616 0.000 -4.748) 8.974 5.521 ( 1.044 0.000 1.645) 1.948 5.552 ( 0.957 0.000 -1.402) 1.698 5.580 ( -1.143 0.000 1.575) 1.946 5.610 ( -1.165 0.000 -1.314) 1.756 5.852 ( 4.146 0.000 3.124) 5.191 5.938 ( 1.646 0.000 -4.815) 5.089 6.174 ( -1.455 0.000 0.657) 1.596 6.203 ( -1.875 0.000 -2.058) 2.784 6.631 ( 8.297 0.000 1.129) 8.373 6.646 ( 8.877 0.000 -0.724) 8.906 7.015 ( -2.294 0.000 3.915) 4.537 7.059 ( -0.886 0.000 0.388) 0.968 7.069 ( 1.744 0.000 2.141) 2.761 7.123 ( 2.142 0.000 -3.041) 3.719 7.184 ( -2.545 0.000 3.196) 4.085 7.249 ( -2.415 0.000 -2.832) 3.722 7.289 ( 0.011 0.000 6.671) 6.671 7.379 ( -3.356 0.000 -0.083) 3.357 7.429 ( -0.608 0.000 0.970) 1.144 7.497 ( -1.749 0.000 -3.739) 4.128 7.587 ( 0.715 0.000 0.673) 0.982 7.598 ( 0.657 0.000 -0.385) 0.762 7.829 ( 0.192 0.000 0.442) 0.482 7.845 ( -0.391 0.000 -1.079) 1.148 7.889 ( 1.716 0.000 0.986) 1.980 7.910 ( 1.342 0.000 -1.027) 1.690 8.454 ( 1.085 0.000 3.181) 3.361 8.507 ( -0.958 0.000 -1.838) 2.073 8.734 ( -10.232 0.000 4.897) 11.344 8.804 ( -8.770 0.000 -2.535) 9.129 8.945 ( 1.083 0.000 2.335) 2.574 9.004 ( -1.222 0.000 -3.327) 3.544 9.617 ( 7.535 0.000 4.462) 8.757 9.724 ( 6.228 0.000 -4.830) 7.881 9.907 ( -1.164 0.000 5.118) 5.249 9.993 ( 0.327 0.000 1.127) 1.174 10.009 ( -0.299 0.000 -0.391) 0.492 10.051 ( -3.723 0.000 -8.947) 9.690 10.149 ( 0.608 0.000 1.223) 1.366 10.179 ( -0.562 0.000 -1.589) 1.686 10.578 ( 1.370 0.000 1.195) 1.818 10.601 ( 0.220 0.000 -0.906) 0.933 10.676 ( 2.372 0.000 0.101) 2.374 10.688 ( 1.033 0.000 -0.781) 1.294 11.454 ( 0.888 0.000 -0.606) 1.075 11.470 ( 0.019 0.000 -2.027) 2.027 11.770 ( 3.121 0.000 4.213) 5.243 11.837 ( 4.275 0.000 -1.937) 4.693 11.976 ( 0.990 0.000 1.131) 1.503 12.020 ( 0.530 0.000 -2.428) 2.485 12.180 ( -2.431 0.000 4.400) 5.027 12.299 ( -4.079 0.000 -5.641) 6.961 12.656 ( 2.674 0.000 3.707) 4.571 12.752 ( 3.620 0.000 -5.813) 6.848 12.888 ( -6.429 0.000 9.907) 11.810 13.069 ( -8.079 0.000 -7.691) 11.155 15.475 ( 0.892 0.000 -0.201) 0.914 15.476 ( 0.706 0.000 -0.279) 0.759 15.535 ( 0.066 0.000 0.988) 0.991 15.549 ( -0.325 0.000 -0.367) 0.490 17.574 ( 6.358 0.000 18.926) 19.965 17.947 ( 8.098 0.000 -17.506) 19.289 18.244 ( 0.014 0.000 0.035) 0.037 18.244 ( 0.001 0.000 -0.003) 0.003 18.244 ( 0.003 0.000 0.012) 0.012 18.245 ( -0.018 0.000 -0.044) 0.047 18.310 ( -33.595 0.000 20.931) 39.582 18.633 ( -23.911 0.000 -12.516) 26.988 19.689 ( 21.287 0.000 12.075) 24.473 19.968 ( 22.476 0.000 -15.174) 27.119 20.322 ( -1.077 0.000 7.810) 7.884 20.510 ( -1.208 0.000 -9.276) 9.355 ======================= Grid point 152 (51/72) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -10.451 0.000 2.444) 10.733 1.080 ( 10.451 0.000 2.444) 10.733 1.180 ( -7.808 0.000 5.134) 9.344 1.180 ( 7.808 0.000 5.134) 9.344 1.907 ( -4.021 0.000 -1.687) 4.361 1.907 ( 4.021 0.000 -1.687) 4.361 1.992 ( -2.788 0.000 -5.280) 5.971 1.992 ( 2.788 0.000 -5.280) 5.971 2.347 ( -17.636 0.000 10.907) 20.736 2.347 ( 17.636 0.000 10.907) 20.736 2.582 ( -9.154 0.000 -4.931) 10.398 2.582 ( 9.154 0.000 -4.931) 10.398 2.809 ( -4.407 0.000 4.192) 6.083 2.809 ( 4.407 0.000 4.192) 6.083 2.894 ( -4.619 0.000 -2.551) 5.276 2.894 ( 4.619 0.000 -2.551) 5.276 3.132 ( -4.398 0.000 12.109) 12.883 3.132 ( 4.398 0.000 12.109) 12.883 3.458 ( -8.046 0.000 -8.119) 11.430 3.458 ( 8.046 0.000 -8.119) 11.430 4.103 ( -0.629 0.000 -0.351) 0.720 4.103 ( 0.629 0.000 -0.351) 0.720 4.152 ( -6.857 0.000 2.151) 7.186 4.152 ( 6.857 0.000 2.151) 7.186 4.211 ( -1.024 0.000 0.168) 1.038 4.211 ( 1.024 0.000 0.168) 1.038 4.549 ( -6.876 0.000 4.571) 8.256 4.549 ( 6.876 0.000 4.571) 8.256 4.667 ( -4.017 0.000 -2.528) 4.747 4.667 ( 4.017 0.000 -2.528) 4.747 4.838 ( -2.285 0.000 -6.038) 6.456 4.838 ( 2.285 0.000 -6.038) 6.456 5.144 ( -7.534 0.000 -1.826) 7.752 5.144 ( 7.534 0.000 -1.826) 7.752 5.163 ( -7.989 0.000 -5.458) 9.676 5.163 ( 7.989 0.000 -5.458) 9.676 5.548 ( -1.529 0.000 1.549) 2.176 5.548 ( 1.529 0.000 1.549) 2.176 5.582 ( -1.483 0.000 -1.299) 1.972 5.582 ( 1.483 0.000 -1.299) 1.972 5.929 ( -2.724 0.000 0.070) 2.725 5.929 ( 2.724 0.000 0.070) 2.725 6.168 ( -1.114 0.000 -1.659) 1.998 6.168 ( 1.114 0.000 -1.659) 1.998 6.766 ( -1.641 0.000 1.216) 2.042 6.766 ( 1.641 0.000 1.216) 2.042 6.994 ( -2.997 0.000 3.366) 4.506 6.994 ( 2.997 0.000 3.366) 4.506 7.117 ( -2.830 0.000 2.794) 3.977 7.117 ( 2.830 0.000 2.794) 3.977 7.189 ( -3.165 0.000 -3.272) 4.552 7.189 ( 3.165 0.000 -3.272) 4.552 7.313 ( -2.345 0.000 4.284) 4.884 7.313 ( 2.345 0.000 4.284) 4.884 7.449 ( -2.234 0.000 -3.293) 3.980 7.449 ( 2.234 0.000 -3.293) 3.980 7.601 ( -0.420 0.000 0.438) 0.607 7.601 ( 0.420 0.000 0.438) 0.607 7.836 ( -0.455 0.000 -0.401) 0.606 7.836 ( 0.455 0.000 -0.401) 0.606 7.921 ( -0.679 0.000 0.094) 0.685 7.921 ( 0.679 0.000 0.094) 0.685 8.481 ( -1.463 0.000 1.009) 1.777 8.481 ( 1.463 0.000 1.009) 1.777 8.661 ( -3.216 0.000 0.193) 3.222 8.661 ( 3.216 0.000 0.193) 3.222 8.973 ( -1.646 0.000 -0.840) 1.848 8.973 ( 1.646 0.000 -0.840) 1.848 9.737 ( -4.203 0.000 2.732) 5.013 9.737 ( 4.203 0.000 2.732) 5.013 9.957 ( -5.145 0.000 -5.495) 7.528 9.957 ( 5.145 0.000 -5.495) 7.528 10.001 ( -0.450 0.000 0.586) 0.739 10.001 ( 0.450 0.000 0.586) 0.739 10.164 ( -0.828 0.000 -0.391) 0.916 10.164 ( 0.828 0.000 -0.391) 0.916 10.598 ( -0.664 0.000 -0.054) 0.666 10.598 ( 0.664 0.000 -0.054) 0.666 10.704 ( -0.124 0.000 -0.076) 0.145 10.704 ( 0.124 0.000 -0.076) 0.145 11.465 ( -0.384 0.000 -0.651) 0.756 11.465 ( 0.384 0.000 -0.651) 0.756 11.857 ( -3.727 0.000 2.307) 4.383 11.857 ( 3.727 0.000 2.307) 4.383 12.006 ( -1.820 0.000 1.493) 2.354 12.006 ( 1.820 0.000 1.493) 2.354 12.194 ( -4.606 0.000 -4.880) 6.711 12.194 ( 4.606 0.000 -4.880) 6.711 12.738 ( -5.193 0.000 5.522) 7.581 12.738 ( 5.193 0.000 5.522) 7.581 12.895 ( -7.807 0.000 -5.571) 9.591 12.895 ( 7.807 0.000 -5.571) 9.591 15.486 ( -0.107 0.000 -0.216) 0.241 15.486 ( 0.107 0.000 -0.216) 0.241 15.540 ( -0.461 0.000 0.146) 0.484 15.540 ( 0.461 0.000 0.146) 0.484 17.795 ( -16.645 0.000 22.589) 28.059 17.795 ( 16.645 0.000 22.589) 28.059 18.217 ( -16.894 0.000 -16.582) 23.673 18.217 ( 16.894 0.000 -16.582) 23.673 18.244 ( -0.020 0.000 0.038) 0.043 18.244 ( 0.020 0.000 0.038) 0.043 18.245 ( -0.025 0.000 -0.038) 0.045 18.245 ( 0.025 0.000 -0.038) 0.045 20.023 ( -11.132 0.000 9.822) 14.846 20.023 ( 11.132 0.000 9.822) 14.846 20.432 ( -7.355 0.000 -11.927) 14.012 20.432 ( 7.355 0.000 -11.927) 14.012 ======================= Grid point 155 (52/72) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.000 8.477 20.854) 22.511 1.214 ( 0.000 16.093 18.123) 24.237 1.499 ( 0.000 4.502 -17.671) 18.236 1.530 ( 0.000 14.661 -12.341) 19.163 1.843 ( 0.000 22.205 21.893) 31.182 1.923 ( 0.000 4.272 7.233) 8.400 2.016 ( 0.000 5.839 -4.178) 7.180 2.209 ( 0.000 6.634 -10.958) 12.809 2.375 ( 0.000 27.545 4.146) 27.855 2.495 ( 0.000 25.010 -8.812) 26.517 2.553 ( 0.000 -6.473 4.993) 8.175 2.692 ( 0.000 -4.561 -7.552) 8.823 2.850 ( 0.000 6.342 5.587) 8.452 2.950 ( 0.000 10.664 -3.075) 11.099 3.132 ( 0.000 9.305 2.171) 9.555 3.138 ( 0.000 13.671 1.280) 13.731 3.227 ( 0.000 17.569 0.946) 17.594 3.246 ( 0.000 9.771 -2.323) 10.044 3.325 ( 0.000 -2.973 15.778) 16.056 3.635 ( 0.000 -4.892 -12.710) 13.619 3.859 ( 0.000 -6.722 7.000) 9.705 3.976 ( 0.000 -6.984 -4.162) 8.131 4.202 ( 0.000 5.488 1.751) 5.761 4.246 ( 0.000 3.042 -2.278) 3.801 4.300 ( 0.000 2.147 1.131) 2.427 4.317 ( 0.000 1.665 -1.276) 2.097 4.456 ( 0.000 -2.273 9.166) 9.443 4.586 ( 0.000 7.854 8.562) 11.619 4.605 ( 0.000 -0.184 0.293) 0.345 4.745 ( 0.000 12.157 -4.392) 12.926 4.812 ( 0.000 2.987 -5.699) 6.434 4.893 ( 0.000 4.167 -4.624) 6.225 4.982 ( 0.000 -8.109 -2.813) 8.583 5.003 ( 0.000 -2.756 -7.647) 8.128 5.244 ( 0.000 -7.872 3.376) 8.565 5.328 ( 0.000 -7.520 -4.340) 8.682 5.498 ( 0.000 -1.471 2.400) 2.815 5.572 ( 0.000 1.774 -3.931) 4.313 5.598 ( 0.000 0.210 1.449) 1.464 5.630 ( 0.000 -0.336 -1.936) 1.965 5.826 ( 0.000 2.832 3.106) 4.203 5.913 ( 0.000 1.843 -5.251) 5.565 6.194 ( 0.000 0.675 0.324) 0.749 6.209 ( 0.000 -1.283 -0.879) 1.556 6.475 ( 0.000 -4.448 0.425) 4.468 6.486 ( 0.000 -5.084 -0.880) 5.160 6.854 ( 0.000 -9.032 3.308) 9.619 6.875 ( 0.000 -9.432 0.847) 9.470 7.065 ( 0.000 -6.280 1.609) 6.483 7.077 ( 0.000 -5.444 0.041) 5.444 7.177 ( 0.000 -4.606 0.272) 4.614 7.187 ( 0.000 -7.694 0.203) 7.697 7.489 ( 0.000 15.610 3.023) 15.900 7.540 ( 0.000 11.648 -1.655) 11.765 7.562 ( 0.000 11.823 1.895) 11.974 7.589 ( 0.000 11.961 0.627) 11.978 7.699 ( 0.000 9.609 1.211) 9.685 7.767 ( 0.000 11.570 -4.435) 12.391 7.795 ( 0.000 -2.011 0.387) 2.048 7.819 ( 0.000 0.116 -1.686) 1.690 8.033 ( 0.000 13.207 0.127) 13.208 8.034 ( 0.000 13.786 0.071) 13.786 8.577 ( 0.000 11.163 2.380) 11.414 8.597 ( 0.000 -4.474 0.826) 4.549 8.633 ( 0.000 0.642 0.452) 0.785 8.647 ( 0.000 -9.357 -0.875) 9.398 9.200 ( 0.000 1.322 5.433) 5.591 9.279 ( 0.000 2.740 -1.897) 3.332 9.478 ( 0.000 8.294 6.192) 10.351 9.603 ( 0.000 4.373 -5.397) 6.946 9.841 ( 0.000 2.188 0.932) 2.378 9.846 ( 0.000 0.902 0.076) 0.905 10.380 ( 0.000 19.533 4.267) 19.994 10.435 ( 0.000 23.568 0.943) 23.587 10.461 ( 0.000 13.561 -3.805) 14.084 10.526 ( 0.000 21.731 -7.234) 22.904 10.611 ( 0.000 10.512 3.168) 10.979 10.628 ( 0.000 0.864 3.101) 3.219 10.699 ( 0.000 14.335 -7.569) 16.211 10.714 ( 0.000 15.533 -5.355) 16.430 11.430 ( 0.000 -0.837 0.177) 0.855 11.468 ( 0.000 0.113 -3.990) 3.992 11.738 ( 0.000 -0.767 3.621) 3.702 11.782 ( 0.000 0.113 -0.397) 0.412 11.944 ( 0.000 -1.849 -0.022) 1.849 11.997 ( 0.000 -1.047 -4.933) 5.043 12.235 ( 0.000 2.407 5.743) 6.227 12.336 ( 0.000 -0.026 -3.296) 3.296 12.603 ( 0.000 -2.612 2.491) 3.609 12.686 ( 0.000 -2.777 -5.887) 6.509 12.939 ( 0.000 -3.044 10.261) 10.703 13.122 ( 0.000 -3.787 -7.514) 8.415 15.255 ( 0.000 -19.337 0.196) 19.338 15.262 ( 0.000 -18.987 -0.505) 18.994 15.294 ( 0.000 -21.645 0.464) 21.650 15.304 ( 0.000 -22.600 -0.416) 22.604 17.481 ( 0.000 -3.096 16.585) 16.871 17.822 ( 0.000 -3.993 -16.694) 17.165 18.159 ( 0.000 -9.087 12.441) 15.406 18.315 ( 0.000 3.854 -4.353) 5.814 18.413 ( 0.000 14.603 0.219) 14.605 18.423 ( 0.000 14.963 -0.945) 14.992 18.959 ( 0.000 -0.980 3.644) 3.774 19.051 ( 0.000 -0.694 -5.259) 5.305 19.263 ( 0.000 -0.005 10.270) 10.270 19.483 ( 0.000 6.377 -12.020) 13.607 20.263 ( 0.000 -8.242 8.381) 11.755 20.413 ( 0.000 -9.996 -6.303) 11.817 ======================= Grid point 156 (53/72) ======================= q-point: ( 0.25 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 1.343 9.831 16.349) 19.124 1.335 ( 3.235 15.165 5.547) 16.469 1.366 ( -3.840 11.940 -2.678) 12.825 1.586 ( -0.924 19.101 -8.287) 20.842 1.879 ( 0.252 3.097 4.106) 5.149 1.961 ( 8.516 8.877 8.320) 14.851 2.026 ( -0.055 6.975 1.832) 7.211 2.178 ( -2.871 7.555 -5.561) 9.810 2.398 ( 1.131 25.829 0.243) 25.855 2.498 ( 2.604 9.474 -5.177) 11.106 2.565 ( 0.119 5.186 3.012) 5.998 2.670 ( -3.183 -4.603 -4.527) 7.198 2.879 ( 2.694 6.677 5.398) 8.999 2.959 ( 0.608 15.771 -1.559) 15.859 3.085 ( -3.251 7.662 3.372) 8.981 3.090 ( -2.830 16.047 2.306) 16.457 3.211 ( -1.273 15.431 2.253) 15.646 3.240 ( -1.450 7.358 2.917) 8.046 3.358 ( 2.590 1.844 4.408) 5.435 3.575 ( -5.238 -2.774 -10.514) 12.070 3.904 ( 4.504 -6.993 7.162) 10.977 4.012 ( 2.249 -7.349 -3.193) 8.322 4.218 ( 1.472 7.711 0.567) 7.871 4.247 ( -0.161 5.049 -2.498) 5.636 4.302 ( 0.570 2.327 2.170) 3.232 4.356 ( 1.506 2.903 -2.755) 4.276 4.497 ( 3.542 1.880 7.981) 8.932 4.593 ( 1.870 2.283 8.523) 9.019 4.637 ( 2.187 0.172 -2.856) 3.601 4.713 ( -3.992 1.064 0.226) 4.137 4.791 ( -0.564 5.998 -6.549) 8.898 4.864 ( -6.277 -1.528 -10.214) 12.086 4.961 ( 4.080 -1.503 -1.543) 4.614 5.003 ( -0.010 -4.530 -4.232) 6.199 5.194 ( -4.275 -6.072 1.278) 7.535 5.257 ( -6.702 -6.338 -3.681) 9.931 5.512 ( 1.263 -1.273 1.913) 2.622 5.562 ( -0.719 -0.476 -1.804) 1.999 5.606 ( 0.344 2.428 0.016) 2.453 5.628 ( -0.381 1.343 -1.754) 2.242 5.864 ( 3.332 1.453 3.139) 4.802 5.939 ( 1.588 0.920 -3.796) 4.217 6.151 ( -2.569 -1.741 0.185) 3.108 6.180 ( -2.193 -1.182 -2.404) 3.462 6.571 ( 7.450 -5.367 1.984) 9.394 6.600 ( 9.346 -4.021 -1.081) 10.231 6.811 ( -3.230 -10.590 5.099) 12.189 6.867 ( -1.618 -9.277 -0.880) 9.458 7.054 ( -0.212 -6.209 1.122) 6.313 7.062 ( -0.562 -7.072 0.237) 7.098 7.174 ( -0.765 -4.128 1.100) 4.339 7.200 ( -0.944 -5.291 -0.800) 5.433 7.497 ( 0.900 14.454 3.719) 14.952 7.547 ( -1.084 11.286 2.724) 11.661 7.568 ( 1.883 13.777 -1.863) 14.030 7.600 ( 1.595 12.538 -0.606) 12.654 7.667 ( -1.819 6.928 -1.118) 7.249 7.686 ( -3.757 4.685 -3.031) 6.727 7.862 ( 3.243 4.011 1.323) 5.325 7.885 ( 4.270 3.925 -0.915) 5.872 8.005 ( -1.558 13.627 0.878) 13.743 8.033 ( -0.948 13.021 -1.541) 13.147 8.556 ( -3.047 -7.182 3.408) 8.514 8.581 ( -0.019 7.609 1.367) 7.731 8.598 ( -2.258 2.157 0.517) 3.165 8.629 ( -2.007 -1.128 -2.201) 3.185 9.149 ( -3.202 4.585 2.057) 5.958 9.175 ( -5.513 6.770 -0.566) 8.749 9.607 ( 8.141 1.779 3.783) 9.152 9.676 ( 5.363 3.257 -2.791) 6.867 9.824 ( -1.567 2.664 1.225) 3.325 9.833 ( -1.682 -1.314 0.302) 2.156 10.342 ( -2.442 21.176 2.255) 21.435 10.390 ( -3.803 21.157 -1.222) 21.531 10.437 ( -1.489 13.348 -2.159) 13.603 10.463 ( -3.347 16.346 -4.486) 17.277 10.626 ( 0.930 7.621 1.235) 7.776 10.635 ( 0.705 6.405 0.820) 6.496 10.763 ( 4.048 13.985 -2.280) 14.737 10.779 ( 3.874 17.164 -5.218) 18.353 11.442 ( 0.670 -1.211 -0.528) 1.481 11.462 ( -0.591 -0.637 -2.565) 2.708 11.774 ( 3.944 0.618 4.102) 5.724 11.839 ( 4.732 0.310 -1.722) 5.045 11.958 ( 1.059 -1.779 0.765) 2.208 12.007 ( 0.374 -1.159 -2.886) 3.132 12.192 ( -3.110 1.565 4.025) 5.322 12.300 ( -3.940 0.273 -5.166) 6.503 12.629 ( 2.677 -2.643 3.579) 5.193 12.724 ( 3.613 -2.771 -5.818) 7.388 12.859 ( -6.344 -2.880 9.622) 11.880 13.033 ( -7.856 -3.526 -7.365) 11.331 15.265 ( 0.698 -19.910 0.088) 19.922 15.270 ( 0.741 -19.121 -0.567) 19.144 15.291 ( -0.253 -21.821 0.473) 21.827 15.301 ( -0.308 -22.373 -0.470) 22.380 17.530 ( 5.107 -3.869 18.127) 19.226 17.872 ( 2.486 -6.594 -11.973) 13.893 18.028 ( -9.701 -10.010 14.565) 20.160 18.278 ( -4.542 -0.629 -8.036) 9.252 18.416 ( 0.302 14.601 0.262) 14.606 18.426 ( 0.175 14.718 -0.882) 14.746 18.652 ( -12.616 19.451 2.464) 23.314 18.718 ( -15.829 10.874 -3.937) 19.603 19.626 ( 20.004 -5.659 11.498) 23.757 19.892 ( 20.723 -6.647 -14.570) 26.190 20.218 ( -3.386 -9.498 8.280) 13.048 20.397 ( -2.149 -10.803 -8.520) 13.925 ======================= Grid point 157 (54/72) ======================= q-point: (-0.50 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -8.718 9.086 2.425) 12.823 1.171 ( 8.718 9.086 2.425) 12.823 1.495 ( -6.577 22.419 5.106) 23.915 1.495 ( 6.577 22.419 5.106) 23.915 1.951 ( -4.639 4.976 -1.596) 6.988 1.951 ( 4.639 4.976 -1.596) 6.988 2.113 ( -3.856 4.452 -3.137) 6.673 2.113 ( 3.856 4.452 -3.137) 6.673 2.485 ( -7.005 11.135 4.603) 13.937 2.485 ( 7.005 11.135 4.603) 13.937 2.585 ( -3.679 4.850 -2.684) 6.653 2.585 ( 3.679 4.850 -2.684) 6.653 2.941 ( -2.735 10.956 3.629) 11.861 2.941 ( 2.735 10.956 3.629) 11.861 3.055 ( -0.693 15.756 3.704) 16.200 3.055 ( 0.693 15.756 3.704) 16.200 3.201 ( -1.130 10.057 5.221) 11.387 3.201 ( 1.130 10.057 5.221) 11.387 3.449 ( -6.428 0.501 -7.173) 9.645 3.449 ( 6.428 0.501 -7.173) 9.645 4.004 ( -3.726 -8.136 2.068) 9.184 4.004 ( 3.726 -8.136 2.068) 9.184 4.241 ( -0.721 9.412 -1.325) 9.533 4.241 ( 0.721 9.412 -1.325) 9.533 4.341 ( -2.560 3.995 0.305) 4.755 4.341 ( 2.560 3.995 0.305) 4.755 4.562 ( -4.692 1.954 3.701) 6.288 4.562 ( 4.692 1.954 3.701) 6.288 4.678 ( -3.249 -0.079 1.470) 3.567 4.678 ( 3.249 -0.079 1.470) 3.567 4.784 ( -1.878 -1.958 -7.309) 7.796 4.784 ( 1.878 -1.958 -7.309) 7.796 5.046 ( -0.465 -7.207 -3.974) 8.243 5.046 ( 0.465 -7.207 -3.974) 8.243 5.119 ( -2.053 -1.378 -1.643) 2.969 5.119 ( 2.053 -1.378 -1.643) 2.969 5.541 ( -1.400 -1.225 0.698) 1.987 5.541 ( 1.400 -1.225 0.698) 1.987 5.615 ( -0.716 2.901 -1.336) 3.274 5.615 ( 0.716 2.901 -1.336) 3.274 5.932 ( -2.574 0.572 1.066) 2.844 5.932 ( 2.574 0.572 1.066) 2.844 6.138 ( -1.411 -1.941 -2.504) 3.468 6.138 ( 1.411 -1.941 -2.504) 3.468 6.708 ( -4.495 -5.943 3.825) 8.376 6.708 ( 4.495 -5.943 3.825) 8.376 6.792 ( -5.471 -9.878 -0.318) 11.296 6.792 ( 5.471 -9.878 -0.318) 11.296 7.063 ( -0.450 -8.087 0.796) 8.139 7.063 ( 0.450 -8.087 0.796) 8.139 7.158 ( -1.089 -2.243 -0.419) 2.528 7.158 ( 1.089 -2.243 -0.419) 2.528 7.519 ( -1.394 13.196 3.976) 13.852 7.519 ( 1.394 13.196 3.976) 13.852 7.612 ( -2.071 13.388 -3.987) 14.121 7.612 ( 2.071 13.388 -3.987) 14.121 7.647 ( -0.932 4.689 -0.046) 4.781 7.647 ( 0.932 4.689 -0.046) 4.781 7.917 ( -1.508 5.072 2.099) 5.692 7.917 ( 1.508 5.072 2.099) 5.692 8.002 ( -1.600 13.022 -1.885) 13.255 8.002 ( 1.600 13.022 -1.885) 13.255 8.539 ( -2.010 -6.258 0.455) 6.589 8.539 ( 2.010 -6.258 0.455) 6.589 8.595 ( -1.069 8.522 0.380) 8.597 8.595 ( 1.069 8.522 0.380) 8.597 9.117 ( -0.393 6.619 -0.126) 6.631 9.117 ( 0.393 6.619 -0.126) 6.631 9.738 ( -3.181 2.805 1.183) 4.403 9.738 ( 3.181 2.805 1.183) 4.403 9.788 ( -1.338 -1.726 0.820) 2.333 9.788 ( 1.338 -1.726 0.820) 2.333 10.329 ( -1.485 21.594 -0.748) 21.658 10.329 ( 1.485 21.594 -0.748) 21.658 10.425 ( -0.553 12.515 -2.477) 12.769 10.425 ( 0.553 12.515 -2.477) 12.769 10.640 ( -0.267 7.860 0.860) 7.912 10.640 ( 0.267 7.860 0.860) 7.912 10.815 ( -0.529 15.614 -2.744) 15.862 10.815 ( 0.529 15.614 -2.744) 15.862 11.451 ( -0.383 -1.377 -1.017) 1.754 11.451 ( 0.383 -1.377 -1.017) 1.754 11.871 ( -3.651 1.673 1.707) 4.364 11.871 ( 3.651 1.673 1.707) 4.364 11.987 ( -1.997 -1.771 1.873) 3.261 11.987 ( 1.997 -1.771 1.873) 3.261 12.197 ( -4.536 0.370 -4.617) 6.483 12.197 ( 4.536 0.370 -4.617) 6.483 12.711 ( -5.189 -2.651 5.387) 7.935 12.711 ( 5.189 -2.651 5.387) 7.935 12.864 ( -7.637 -3.105 -5.390) 9.850 12.864 ( 7.637 -3.105 -5.390) 9.850 15.277 ( -0.395 -19.770 -0.021) 19.774 15.277 ( 0.395 -19.770 -0.021) 19.774 15.292 ( -0.534 -22.134 -0.290) 22.143 15.292 ( 0.534 -22.134 -0.290) 22.143 17.696 ( -11.477 -7.148 20.230) 24.333 17.696 ( 11.477 -7.148 20.230) 24.333 18.110 ( -10.638 -6.116 -14.290) 18.836 18.110 ( 10.638 -6.116 -14.290) 18.836 18.424 ( -0.419 14.269 -0.151) 14.276 18.424 ( 0.419 14.269 -0.151) 14.276 18.551 ( -1.212 22.209 -0.083) 22.242 18.551 ( 1.212 22.209 -0.083) 22.242 19.952 ( -11.445 -6.856 9.397) 16.319 19.952 ( 11.445 -6.856 9.397) 16.319 20.297 ( -8.198 -12.399 -10.953) 18.464 20.297 ( 8.198 -12.399 -10.953) 18.464 ======================= Grid point 160 (55/72) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 0.000 14.957 14.381) 20.750 1.469 ( 0.000 12.282 16.523) 20.588 1.622 ( 0.000 8.132 -13.760) 15.983 1.752 ( 0.000 8.699 -10.493) 13.630 2.047 ( 0.000 7.897 6.191) 10.035 2.131 ( 0.000 6.172 -2.608) 6.701 2.267 ( 0.000 12.841 4.767) 13.698 2.313 ( 0.000 0.873 -1.578) 1.803 2.412 ( 0.000 -4.732 4.455) 6.499 2.569 ( 0.000 -6.615 -9.268) 11.387 2.839 ( 0.000 12.761 3.148) 13.143 2.875 ( 0.000 9.055 -0.429) 9.065 2.974 ( 0.000 9.536 10.455) 14.151 3.178 ( 0.000 9.664 -9.997) 13.904 3.307 ( 0.000 6.670 12.367) 14.051 3.423 ( 0.000 16.717 2.430) 16.893 3.452 ( 0.000 18.227 -0.422) 18.232 3.576 ( 0.000 2.611 -11.843) 12.127 3.649 ( 0.000 14.879 0.879) 14.904 3.657 ( 0.000 23.710 1.294) 23.745 3.757 ( 0.000 -4.091 0.494) 4.121 3.836 ( 0.000 -1.909 -5.304) 5.637 4.157 ( 0.000 -10.779 1.500) 10.883 4.182 ( 0.000 -11.102 -1.179) 11.164 4.275 ( 0.000 -1.306 3.064) 3.331 4.334 ( 0.000 2.066 -2.538) 3.273 4.488 ( 0.000 6.421 6.122) 8.872 4.565 ( 0.000 -0.616 0.630) 0.881 4.650 ( 0.000 -1.572 6.732) 6.913 4.698 ( 0.000 -8.127 0.126) 8.128 4.871 ( 0.000 -4.970 -2.039) 5.372 4.969 ( 0.000 -4.212 -12.133) 12.843 5.069 ( 0.000 7.854 1.486) 7.993 5.113 ( 0.000 11.920 -2.277) 12.136 5.319 ( 0.000 18.713 1.881) 18.807 5.334 ( 0.000 14.136 3.445) 14.549 5.459 ( 0.000 -1.331 0.142) 1.338 5.581 ( 0.000 1.066 -8.763) 8.828 5.612 ( 0.000 3.048 0.982) 3.202 5.634 ( 0.000 2.534 -1.552) 2.971 5.925 ( 0.000 8.160 3.568) 8.906 5.998 ( 0.000 6.787 -3.504) 7.638 6.213 ( 0.000 2.348 -0.100) 2.350 6.237 ( 0.000 3.765 -2.656) 4.608 6.390 ( 0.000 -3.459 0.370) 3.479 6.391 ( 0.000 -3.559 -0.250) 3.568 6.707 ( 0.000 -6.352 3.416) 7.212 6.722 ( 0.000 -6.253 1.002) 6.332 6.917 ( 0.000 -6.889 2.168) 7.222 6.948 ( 0.000 -7.289 0.066) 7.289 7.032 ( 0.000 -7.224 1.516) 7.381 7.084 ( 0.000 -4.655 -3.296) 5.704 7.646 ( 0.000 0.373 4.028) 4.045 7.703 ( 0.000 2.185 -1.336) 2.562 7.809 ( 0.000 11.480 1.901) 11.637 7.864 ( 0.000 12.290 -2.938) 12.637 7.917 ( 0.000 16.094 1.453) 16.159 7.953 ( 0.000 15.725 2.222) 15.881 7.963 ( 0.000 16.211 -3.289) 16.541 8.026 ( 0.000 14.481 -4.551) 15.179 8.307 ( 0.000 9.721 1.204) 9.795 8.322 ( 0.000 11.665 -0.015) 11.665 8.474 ( 0.000 2.205 4.377) 4.901 8.560 ( 0.000 4.874 -3.831) 6.200 8.813 ( 0.000 10.174 1.919) 10.354 8.828 ( 0.000 11.660 0.310) 11.664 9.050 ( 0.000 -9.358 3.541) 10.006 9.109 ( 0.000 -12.887 -2.083) 13.055 9.754 ( 0.000 14.518 3.771) 14.999 9.831 ( 0.000 13.798 -3.548) 14.247 10.001 ( 0.000 12.002 3.894) 12.617 10.050 ( 0.000 15.957 -0.679) 15.971 10.501 ( 0.000 0.888 2.499) 2.653 10.541 ( 0.000 0.254 -1.287) 1.312 10.542 ( 0.000 -3.578 0.605) 3.629 10.580 ( 0.000 -1.726 -3.366) 3.783 11.139 ( 0.000 33.495 3.356) 33.662 11.173 ( 0.000 39.561 4.826) 39.855 11.222 ( 0.000 21.105 -3.536) 21.399 11.288 ( 0.000 32.574 -7.126) 33.344 11.414 ( 0.000 0.879 1.390) 1.645 11.493 ( 0.000 4.242 -6.446) 7.716 11.747 ( 0.000 4.336 4.211) 6.045 11.810 ( 0.000 4.614 -0.676) 4.663 11.909 ( 0.000 -0.810 -0.061) 0.812 11.975 ( 0.000 -0.480 -5.454) 5.475 12.353 ( 0.000 11.212 -0.706) 11.234 12.356 ( 0.000 3.384 0.248) 3.393 12.546 ( 0.000 -1.912 0.037) 1.913 12.614 ( 0.000 -4.240 -5.978) 7.329 12.863 ( 0.000 -4.143 8.752) 9.683 13.021 ( 0.000 -6.126 -6.510) 8.939 14.783 ( 0.000 -28.640 0.368) 28.643 14.796 ( 0.000 -25.677 0.849) 25.691 14.798 ( 0.000 -27.284 -1.171) 27.309 14.831 ( 0.000 -22.976 -3.130) 23.188 17.402 ( 0.000 -4.755 15.393) 16.111 17.716 ( 0.000 -6.634 -15.235) 16.617 17.912 ( 0.000 -14.975 22.420) 26.961 18.261 ( 0.000 -10.293 -13.209) 16.745 18.656 ( 0.000 5.297 0.345) 5.308 18.675 ( 0.000 9.009 -1.319) 9.105 19.006 ( 0.000 7.944 3.831) 8.819 19.067 ( 0.000 3.264 -2.385) 4.043 19.338 ( 0.000 6.631 12.940) 14.540 19.614 ( 0.000 5.487 -14.230) 15.251 20.061 ( 0.000 -11.495 5.155) 12.598 20.161 ( 0.000 -14.835 -4.489) 15.499 ======================= Grid point 161 (56/72) ======================= q-point: ( 0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 1.870 15.859 10.846) 19.303 1.529 ( -5.597 11.113 -8.457) 15.045 1.623 ( 10.850 9.926 14.035) 20.328 1.862 ( 4.971 8.981 -7.251) 12.568 1.981 ( -1.983 6.821 5.456) 8.957 2.103 ( -1.965 6.685 -5.154) 8.667 2.241 ( -5.643 2.025 -0.688) 6.034 2.255 ( -3.147 5.928 -0.703) 6.748 2.473 ( 4.498 -1.724 3.676) 6.059 2.576 ( 0.633 -1.950 -6.061) 6.399 2.761 ( -4.702 5.414 2.434) 7.572 2.777 ( -6.752 3.465 1.421) 7.721 3.095 ( 8.573 14.936 9.557) 19.695 3.242 ( 1.676 12.041 0.265) 12.160 3.305 ( 3.241 9.287 0.172) 9.837 3.390 ( -3.339 12.093 -2.987) 12.897 3.484 ( 2.862 18.388 3.790) 18.991 3.598 ( -0.749 13.195 -5.270) 14.228 3.621 ( -1.680 17.856 0.535) 17.943 3.632 ( -1.578 19.132 -0.438) 19.202 3.779 ( 2.612 -5.930 1.771) 6.718 3.856 ( 1.176 -5.690 -4.615) 7.420 4.196 ( 3.174 -10.337 0.828) 10.845 4.219 ( 2.854 -10.666 -1.333) 11.121 4.286 ( 0.922 -2.720 3.363) 4.423 4.344 ( 0.095 -0.052 -1.655) 1.659 4.509 ( 1.805 -0.393 2.494) 3.104 4.545 ( -1.801 -3.020 0.511) 3.553 4.625 ( -0.625 -1.383 6.226) 6.409 4.691 ( -0.531 -0.201 0.924) 1.084 4.831 ( -3.001 -3.271 -2.317) 5.007 4.925 ( -4.310 -5.069 -9.419) 11.532 5.042 ( -1.638 8.596 -0.594) 8.771 5.082 ( -2.754 11.776 -3.667) 12.637 5.311 ( -0.643 18.876 2.269) 19.023 5.330 ( -0.642 18.768 1.327) 18.826 5.477 ( 1.669 -1.329 1.428) 2.567 5.534 ( -1.392 0.157 -2.329) 2.717 5.663 ( 2.027 3.985 -1.222) 4.635 5.678 ( 2.516 5.441 -3.371) 6.877 5.925 ( 0.562 5.681 3.452) 6.671 5.992 ( -0.581 4.511 -2.100) 5.010 6.140 ( -3.739 1.460 -0.870) 4.108 6.187 ( -3.177 1.731 -4.341) 5.651 6.458 ( 5.599 -5.227 3.973) 8.629 6.525 ( 8.142 -2.637 -2.792) 9.002 6.646 ( -3.646 -6.855 5.781) 9.681 6.727 ( -1.122 -5.361 -2.365) 5.966 6.908 ( -0.279 -6.673 1.646) 6.879 6.930 ( -1.314 -6.780 -0.427) 6.919 7.055 ( 1.873 -6.223 2.765) 7.062 7.103 ( 0.458 -4.802 -1.694) 5.113 7.619 ( -1.553 0.199 2.877) 3.275 7.669 ( -3.110 0.709 -1.729) 3.628 7.809 ( 0.100 12.603 1.805) 12.733 7.862 ( -2.482 13.912 -1.075) 14.172 7.883 ( 0.462 12.933 -1.157) 12.993 7.897 ( -0.581 13.437 -1.849) 13.576 8.084 ( 6.042 16.483 -0.093) 17.555 8.097 ( 4.998 16.404 -1.233) 17.193 8.280 ( -1.775 9.848 1.262) 10.086 8.312 ( -1.110 10.923 -1.143) 11.038 8.469 ( -0.553 4.265 3.017) 5.253 8.532 ( -2.741 4.513 -3.072) 6.109 8.808 ( -0.310 10.825 1.576) 10.943 8.819 ( -0.691 11.832 0.373) 11.858 9.063 ( 1.091 -8.532 2.540) 8.969 9.101 ( -0.656 -9.793 -1.204) 9.889 9.785 ( 3.022 12.896 4.381) 13.951 9.869 ( 3.482 13.049 -3.617) 13.982 9.960 ( -3.833 11.174 4.411) 12.610 10.024 ( -2.625 14.673 -1.619) 14.994 10.493 ( -0.496 1.135 1.874) 2.246 10.522 ( -1.478 -1.965 0.922) 2.626 10.530 ( -0.799 0.924 -1.675) 2.073 10.560 ( -1.679 -0.314 -2.830) 3.306 11.147 ( 0.704 35.134 2.884) 35.259 11.169 ( -0.280 38.372 3.050) 38.494 11.235 ( 1.231 19.731 -0.717) 19.782 11.290 ( -0.268 27.207 -4.186) 27.529 11.418 ( 0.522 1.821 -1.244) 2.266 11.475 ( -1.592 4.647 -6.233) 7.936 11.823 ( 6.488 5.887 2.916) 9.233 11.869 ( 4.986 4.510 0.094) 6.724 11.921 ( 1.099 -0.778 0.870) 1.603 11.999 ( 2.440 2.188 -5.316) 6.245 12.276 ( -5.381 8.046 1.494) 9.795 12.338 ( -3.941 6.221 -3.994) 8.378 12.566 ( 2.431 -3.068 2.358) 4.570 12.654 ( 3.774 -3.640 -6.042) 7.999 12.784 ( -6.393 -4.237 8.632) 11.547 12.939 ( -7.294 -5.722 -6.442) 11.289 14.780 ( -0.192 -28.180 0.315) 28.183 14.786 ( -0.502 -26.812 0.098) 26.817 14.809 ( 0.539 -26.522 -0.660) 26.535 14.827 ( -0.332 -24.208 -2.490) 24.338 17.438 ( 3.623 -5.402 16.500) 17.736 17.712 ( -4.803 -9.529 3.077) 11.106 17.838 ( -0.213 -9.828 3.846) 10.556 18.155 ( -9.137 -10.937 -14.897) 20.616 18.677 ( 1.495 8.633 0.560) 8.780 18.690 ( 0.882 10.917 -0.633) 10.971 18.975 ( -1.773 14.247 2.669) 14.603 19.005 ( -3.448 13.320 -0.226) 13.761 19.517 ( 13.615 -4.104 11.236) 18.123 19.769 ( 11.508 -4.925 -13.082) 18.106 19.998 ( -5.659 -12.046 6.394) 14.765 20.134 ( -3.094 -14.844 -6.575) 16.528 ======================= Grid point 162 (57/72) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -6.075 14.377 1.595) 15.689 1.409 ( 6.075 14.377 1.595) 15.689 1.811 ( -6.461 9.977 8.595) 14.668 1.811 ( 6.461 9.977 8.595) 14.668 2.079 ( -5.130 6.698 -2.169) 8.712 2.079 ( 5.130 6.698 -2.169) 8.712 2.154 ( -3.770 1.132 -6.484) 7.585 2.154 ( 3.770 1.132 -6.484) 7.585 2.559 ( -3.374 3.091 0.210) 4.580 2.559 ( 3.374 3.091 0.210) 4.580 2.700 ( -0.528 -1.345 1.743) 2.264 2.700 ( 0.528 -1.345 1.743) 2.264 3.232 ( -2.991 14.962 5.253) 16.137 3.232 ( 2.991 14.962 5.253) 16.137 3.353 ( -2.264 9.331 1.280) 9.687 3.353 ( 2.264 9.331 1.280) 9.687 3.535 ( -3.742 20.898 -0.689) 21.242 3.535 ( 3.742 20.898 -0.689) 21.242 3.612 ( -0.469 17.734 -1.928) 17.845 3.612 ( 0.469 17.734 -1.928) 17.845 3.845 ( -2.646 -7.932 -0.766) 8.396 3.845 ( 2.646 -7.932 -0.766) 8.396 4.249 ( -1.184 -10.005 -0.925) 10.117 4.249 ( 1.184 -10.005 -0.925) 10.117 4.315 ( -2.424 -3.667 1.628) 4.688 4.315 ( 2.424 -3.667 1.628) 4.688 4.523 ( -0.343 -7.813 0.252) 7.824 4.523 ( 0.343 -7.813 0.252) 7.824 4.666 ( -2.931 4.901 3.852) 6.888 4.666 ( 2.931 4.901 3.852) 6.888 4.824 ( -3.782 -2.859 -5.334) 7.137 4.824 ( 3.782 -2.859 -5.334) 7.137 5.036 ( -1.194 9.524 -3.644) 10.267 5.036 ( 1.194 9.524 -3.644) 10.267 5.310 ( -0.773 20.481 0.888) 20.514 5.310 ( 0.773 20.481 0.888) 20.514 5.513 ( -1.419 0.499 1.080) 1.852 5.513 ( 1.419 0.499 1.080) 1.852 5.691 ( -0.701 5.862 -2.095) 6.265 5.691 ( 0.701 5.862 -2.095) 6.265 5.960 ( -2.465 2.631 2.489) 4.381 5.960 ( 2.465 2.631 2.489) 4.381 6.128 ( -2.186 1.199 -5.068) 5.649 6.128 ( 2.186 1.199 -5.068) 5.649 6.557 ( -4.027 -7.119 5.436) 9.821 6.557 ( 4.027 -7.119 5.436) 9.821 6.672 ( -4.542 -4.269 -2.937) 6.891 6.672 ( 4.542 -4.269 -2.937) 6.891 6.913 ( -0.545 -6.541 0.773) 6.609 6.913 ( 0.545 -6.541 0.773) 6.609 7.087 ( -1.481 -4.357 1.040) 4.718 7.087 ( 1.481 -4.357 1.040) 4.718 7.616 ( -1.459 -0.284 0.110) 1.490 7.616 ( 1.459 -0.284 0.110) 1.490 7.821 ( -1.282 13.945 0.472) 14.011 7.821 ( 1.282 13.945 0.472) 14.011 7.896 ( -0.304 11.010 -1.953) 11.186 7.896 ( 0.304 11.010 -1.953) 11.186 8.158 ( -0.624 17.259 1.528) 17.338 8.158 ( 0.624 17.259 1.528) 17.338 8.279 ( -1.832 10.830 -2.183) 11.199 8.279 ( 1.832 10.830 -2.183) 11.199 8.474 ( -1.930 4.575 0.053) 4.966 8.474 ( 1.930 4.575 0.053) 4.966 8.808 ( -0.333 11.904 0.925) 11.945 8.808 ( 0.333 11.904 0.925) 11.945 9.085 ( -0.971 -7.505 0.465) 7.582 9.085 ( 0.971 -7.505 0.465) 7.582 9.867 ( -4.834 10.922 4.969) 12.936 9.867 ( 4.834 10.922 4.969) 12.936 9.951 ( -4.288 12.855 -3.073) 13.895 9.951 ( 4.288 12.855 -3.073) 13.895 10.495 ( -0.864 0.102 1.049) 1.363 10.495 ( 0.864 0.102 1.049) 1.363 10.530 ( -0.901 1.576 -1.988) 2.692 10.530 ( 0.901 1.576 -1.988) 2.692 11.161 ( -0.576 37.279 2.489) 37.366 11.161 ( 0.576 37.279 2.489) 37.366 11.267 ( -1.750 19.570 -0.226) 19.649 11.267 ( 1.750 19.570 -0.226) 19.649 11.440 ( -1.618 4.638 -5.040) 7.037 11.440 ( 1.618 4.638 -5.040) 7.037 11.912 ( -1.315 -0.639 -0.144) 1.469 11.912 ( 1.315 -0.639 -0.144) 1.469 12.007 ( -5.233 10.603 1.686) 11.943 12.007 ( 5.233 10.603 1.686) 11.943 12.229 ( -4.134 4.481 -3.514) 7.037 12.229 ( 4.134 4.481 -3.514) 7.037 12.645 ( -5.196 -3.437 4.759) 7.840 12.645 ( 5.196 -3.437 4.759) 7.840 12.781 ( -7.211 -4.955 -5.132) 10.144 12.781 ( 7.211 -4.955 -5.132) 10.144 14.779 ( -0.131 -27.539 0.207) 27.540 14.779 ( 0.131 -27.539 0.207) 27.540 14.819 ( -0.478 -25.852 -1.421) 25.895 14.819 ( 0.478 -25.852 -1.421) 25.895 17.551 ( -7.669 -7.646 18.256) 21.227 17.551 ( 7.669 -7.646 18.256) 21.227 17.958 ( -9.214 -9.388 -14.293) 19.425 17.958 ( 9.214 -9.388 -14.293) 19.425 18.697 ( -0.323 11.512 0.249) 11.519 18.697 ( 0.323 11.512 0.249) 11.519 18.963 ( -0.706 17.431 1.168) 17.484 18.963 ( 0.706 17.431 1.168) 17.484 19.781 ( -11.122 -9.766 8.172) 16.908 19.781 ( 11.122 -9.766 8.172) 16.908 20.022 ( -7.911 -13.969 -9.277) 18.541 20.022 ( 7.911 -13.969 -9.277) 18.541 ======================= Grid point 165 (58/72) ======================= q-point: ( 0.00 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 0.000 16.160 7.507) 17.819 1.716 ( 0.000 11.929 8.839) 14.847 1.813 ( 0.000 11.640 -6.328) 13.249 1.903 ( 0.000 7.073 -6.196) 9.403 2.142 ( 0.000 -0.860 3.432) 3.538 2.181 ( 0.000 -6.206 -0.977) 6.283 2.310 ( 0.000 4.157 2.948) 5.096 2.343 ( 0.000 -3.810 3.430) 5.127 2.380 ( 0.000 5.681 -3.869) 6.873 2.444 ( 0.000 -5.137 -6.114) 7.985 2.862 ( 0.000 -7.480 4.300) 8.628 2.903 ( 0.000 -2.648 1.461) 3.024 3.204 ( 0.000 6.726 3.686) 7.670 3.294 ( 0.000 -2.548 -5.283) 5.866 3.460 ( 0.000 4.755 4.917) 6.840 3.575 ( 0.000 -3.408 2.354) 4.142 3.581 ( 0.000 3.451 -5.619) 6.594 3.636 ( 0.000 -4.400 -3.557) 5.658 3.762 ( 0.000 8.879 0.171) 8.881 3.774 ( 0.000 7.951 -0.995) 8.013 3.910 ( 0.000 -11.559 2.680) 11.866 3.952 ( 0.000 -2.292 -0.921) 2.470 3.991 ( 0.000 2.205 0.807) 2.348 4.012 ( 0.000 7.514 -2.076) 7.796 4.307 ( 0.000 1.591 6.755) 6.940 4.417 ( 0.000 4.911 -4.015) 6.343 4.505 ( 0.000 -6.974 4.554) 8.329 4.591 ( 0.000 -1.155 -0.992) 1.523 4.702 ( 0.000 12.182 -0.616) 12.197 4.710 ( 0.000 9.475 -1.574) 9.605 4.801 ( 0.000 3.441 -0.804) 3.533 4.828 ( 0.000 -3.309 -6.186) 7.015 5.222 ( 0.000 5.083 3.352) 6.089 5.269 ( 0.000 2.259 -1.960) 2.991 5.398 ( 0.000 -1.168 5.760) 5.877 5.497 ( 0.000 1.909 -2.746) 3.344 5.632 ( 0.000 8.681 2.028) 8.915 5.741 ( 0.000 9.364 -8.667) 12.759 5.820 ( 0.000 17.591 0.922) 17.615 5.845 ( 0.000 19.818 -1.587) 19.881 6.128 ( 0.000 4.211 3.475) 5.460 6.165 ( 0.000 11.431 1.478) 11.526 6.271 ( 0.000 0.914 2.936) 3.075 6.331 ( 0.000 5.927 -3.525) 6.896 6.405 ( 0.000 9.879 2.153) 10.111 6.459 ( 0.000 11.856 -1.656) 11.971 6.614 ( 0.000 -0.355 -0.221) 0.418 6.620 ( 0.000 -4.471 -0.805) 4.543 6.812 ( 0.000 -5.643 0.860) 5.708 6.822 ( 0.000 -2.702 -0.294) 2.718 6.925 ( 0.000 -3.731 3.908) 5.403 7.004 ( 0.000 -3.382 -3.804) 5.090 7.674 ( 0.000 3.203 4.545) 5.561 7.730 ( 0.000 1.867 -0.716) 1.999 7.970 ( 0.000 4.497 -0.265) 4.505 8.004 ( 0.000 3.139 -3.686) 4.841 8.200 ( 0.000 5.688 0.511) 5.711 8.235 ( 0.000 7.236 -3.278) 7.944 8.266 ( 0.000 16.861 2.019) 16.982 8.331 ( 0.000 15.268 -3.909) 15.760 8.456 ( 0.000 12.766 2.531) 13.014 8.470 ( 0.000 14.426 1.712) 14.528 8.728 ( 0.000 10.798 0.051) 10.798 8.732 ( 0.000 -0.408 -0.042) 0.410 8.887 ( 0.000 -0.924 1.058) 1.405 8.929 ( 0.000 10.927 -3.261) 11.403 9.046 ( 0.000 11.036 3.510) 11.581 9.109 ( 0.000 12.106 -2.590) 12.380 10.009 ( 0.000 11.419 3.828) 12.043 10.072 ( 0.000 9.782 -2.221) 10.031 10.222 ( 0.000 8.910 6.367) 10.951 10.319 ( 0.000 9.335 -3.161) 9.856 10.440 ( 0.000 -5.347 2.392) 5.857 10.493 ( 0.000 -3.431 -2.868) 4.472 10.535 ( 0.000 2.323 2.980) 3.778 10.617 ( 0.000 5.355 -4.599) 7.059 11.313 ( 0.000 -3.547 0.854) 3.649 11.329 ( 0.000 -1.831 -0.549) 1.911 11.488 ( 0.000 -0.249 2.261) 2.275 11.517 ( 0.000 -2.460 0.136) 2.464 11.721 ( 0.000 4.820 2.438) 5.402 11.834 ( 0.000 8.878 -7.669) 11.732 11.915 ( 0.000 1.772 2.065) 2.721 11.954 ( 0.000 9.464 -1.702) 9.616 12.160 ( 0.000 16.841 4.255) 17.370 12.237 ( 0.000 25.642 -3.199) 25.841 12.534 ( 0.000 9.168 2.340) 9.462 12.562 ( 0.000 11.443 1.920) 11.603 12.666 ( 0.000 28.753 1.783) 28.808 12.750 ( 0.000 20.715 -1.572) 20.774 12.932 ( 0.000 23.011 -4.881) 23.523 12.941 ( 0.000 4.434 -2.875) 5.285 14.236 ( 0.000 -26.220 1.632) 26.271 14.279 ( 0.000 -24.418 -2.605) 24.556 14.313 ( 0.000 -22.256 3.186) 22.483 14.424 ( 0.000 -16.882 -8.456) 18.881 17.303 ( 0.000 -5.168 13.284) 14.253 17.572 ( 0.000 -7.840 -12.922) 15.115 17.620 ( 0.000 -14.047 21.226) 25.453 17.978 ( 0.000 -16.588 -14.363) 21.943 18.667 ( 0.000 -2.040 2.851) 3.506 18.735 ( 0.000 -1.232 -3.920) 4.109 19.145 ( 0.000 2.174 3.070) 3.762 19.175 ( 0.000 5.873 0.192) 5.876 19.444 ( 0.000 2.532 10.075) 10.388 19.656 ( 0.000 -1.850 -10.464) 10.626 19.845 ( 0.000 -10.129 0.758) 10.157 19.870 ( 0.000 -14.106 -1.693) 14.207 ======================= Grid point 166 (59/72) ======================= q-point: ( 0.25 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 1.173 15.454 5.628) 16.489 1.747 ( -1.851 9.963 -4.109) 10.935 1.830 ( 6.087 12.088 8.435) 15.947 1.981 ( 3.776 3.936 -4.185) 6.875 2.084 ( -1.634 2.283 2.927) 4.056 2.162 ( -1.833 -5.124 -3.349) 6.389 2.278 ( -3.339 5.913 1.708) 7.002 2.327 ( -4.582 7.324 -2.823) 9.089 2.414 ( 5.796 -5.963 3.600) 9.062 2.508 ( 5.423 -5.587 -5.276) 9.405 2.762 ( -7.934 -3.614 2.327) 9.024 2.794 ( -8.373 -0.877 -0.018) 8.419 3.296 ( 7.655 2.260 5.226) 9.541 3.384 ( 5.087 -2.273 -2.942) 6.301 3.433 ( -1.618 3.414 3.388) 5.075 3.527 ( -3.614 3.463 -5.119) 7.159 3.605 ( 2.996 -4.675 1.230) 5.687 3.661 ( 2.061 -3.677 -2.834) 5.079 3.790 ( 0.995 4.904 0.244) 5.010 3.797 ( -1.006 -0.941 -0.049) 1.378 3.885 ( 0.676 1.670 2.491) 3.074 3.932 ( -1.125 3.652 -1.757) 4.206 4.017 ( 2.606 -1.333 1.934) 3.508 4.052 ( 2.148 1.685 -1.685) 3.208 4.292 ( -1.273 1.682 6.552) 6.883 4.392 ( -3.081 3.377 -3.365) 5.676 4.459 ( -2.919 -3.626 1.928) 5.038 4.512 ( -6.008 -1.650 -2.006) 6.545 4.722 ( 1.921 9.335 0.088) 9.531 4.734 ( 1.804 7.760 -0.990) 8.028 4.790 ( -0.723 2.826 0.139) 2.920 4.827 ( -0.303 0.920 -4.143) 4.254 5.217 ( -0.083 5.838 2.461) 6.336 5.262 ( -1.064 4.501 -2.156) 5.103 5.414 ( 1.414 -0.641 2.627) 3.051 5.486 ( -1.240 1.070 -3.002) 3.420 5.677 ( 3.910 9.738 4.611) 11.462 5.785 ( 2.121 15.152 -1.692) 15.393 5.843 ( 2.844 9.110 -3.595) 10.198 5.869 ( 2.083 18.220 -2.595) 18.521 6.094 ( -1.643 6.918 4.148) 8.232 6.152 ( -1.685 14.545 2.244) 14.813 6.232 ( -2.850 3.285 -4.119) 5.990 6.274 ( -4.676 12.603 -5.226) 14.423 6.430 ( 2.849 5.849 6.300) 9.056 6.524 ( 2.696 -1.511 2.601) 4.040 6.559 ( -1.547 4.430 -1.677) 4.983 6.635 ( -0.808 -4.518 -3.503) 5.773 6.809 ( 0.500 -3.411 1.970) 3.971 6.831 ( 0.250 -2.539 -0.158) 2.556 6.953 ( 2.371 -4.061 3.647) 5.951 7.015 ( 0.469 -4.035 -2.262) 4.650 7.651 ( -1.538 3.560 3.774) 5.411 7.697 ( -2.876 2.598 -0.501) 3.908 7.974 ( 0.547 4.099 -0.276) 4.145 8.011 ( 0.702 2.405 -3.746) 4.507 8.088 ( -5.667 6.516 0.615) 8.658 8.135 ( -5.022 6.857 -3.451) 9.173 8.389 ( 4.296 13.960 0.519) 14.615 8.420 ( 0.732 12.178 -1.350) 12.275 8.447 ( 4.946 15.236 1.963) 16.139 8.492 ( 2.124 15.584 -0.705) 15.744 8.707 ( -1.643 7.029 0.605) 7.244 8.722 ( -1.618 5.348 -1.303) 5.737 8.910 ( 2.671 2.613 2.864) 4.708 8.963 ( 2.017 5.667 -2.055) 6.357 9.045 ( 0.068 12.210 2.601) 12.484 9.098 ( -1.150 12.045 -2.297) 12.316 10.025 ( 1.683 10.768 4.407) 11.756 10.096 ( 2.130 8.620 -2.302) 9.173 10.176 ( -3.606 9.760 5.720) 11.873 10.275 ( -3.994 9.164 -3.620) 10.632 10.449 ( 0.562 -4.312 1.990) 4.783 10.479 ( -1.059 -2.649 -0.417) 2.883 10.547 ( 1.055 2.428 0.619) 2.719 10.603 ( -1.251 5.024 -3.914) 6.490 11.303 ( -0.603 -3.113 1.278) 3.419 11.316 ( -0.994 -3.433 0.295) 3.586 11.509 ( 1.534 0.455 1.086) 1.934 11.528 ( 0.714 -1.006 -0.192) 1.248 11.749 ( 2.574 6.072 2.344) 6.999 11.844 ( 0.346 12.501 -5.624) 13.712 11.897 ( -1.101 -0.108 1.068) 1.538 11.942 ( -1.212 8.250 -2.573) 8.726 12.226 ( 6.073 13.554 4.659) 15.566 12.311 ( 6.599 21.896 -3.509) 23.136 12.503 ( -2.924 10.566 4.096) 11.703 12.577 ( 0.953 6.692 -0.974) 6.830 12.657 ( -1.125 31.521 3.431) 31.727 12.734 ( -1.843 18.186 0.095) 18.279 12.870 ( -4.697 20.264 -4.053) 21.192 12.886 ( -4.599 16.361 -5.668) 17.915 14.242 ( 0.643 -25.729 1.722) 25.795 14.285 ( -0.123 -22.990 -0.959) 23.010 14.303 ( -0.087 -23.839 0.696) 23.849 14.391 ( -2.795 -18.582 -6.994) 20.050 17.327 ( 2.412 -5.720 14.086) 15.393 17.515 ( -5.642 -10.144 12.589) 17.124 17.644 ( 3.598 -9.889 -5.886) 12.058 17.897 ( -6.809 -14.445 -14.286) 21.427 18.742 ( 5.723 -0.936 2.552) 6.336 18.795 ( 4.006 0.269 -2.625) 4.797 19.157 ( 1.065 2.174 2.066) 3.183 19.179 ( 0.235 5.260 0.170) 5.268 19.479 ( 3.905 -1.064 10.022) 10.808 19.685 ( 2.121 -5.099 -9.638) 11.108 19.773 ( -5.119 -10.615 3.267) 12.229 19.860 ( -2.129 -12.424 -4.666) 13.441 ======================= Grid point 167 (60/72) ======================= q-point: (-0.50 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -3.365 12.899 0.510) 13.340 1.690 ( 3.365 12.899 0.510) 13.340 1.950 ( -4.500 5.120 6.453) 9.387 1.950 ( 4.500 5.120 6.453) 9.387 2.144 ( -1.842 -0.964 -4.254) 4.735 2.144 ( 1.842 -0.964 -4.254) 4.735 2.228 ( -2.321 8.448 -1.227) 8.846 2.228 ( 2.321 8.448 -1.227) 8.846 2.557 ( -7.208 -7.592 3.002) 10.891 2.557 ( 7.208 -7.592 3.002) 10.891 2.653 ( -4.957 1.314 -3.125) 6.005 2.653 ( 4.957 1.314 -3.125) 6.005 3.413 ( -1.185 1.732 2.289) 3.106 3.413 ( 1.185 1.732 2.289) 3.106 3.452 ( -4.420 0.450 0.703) 4.498 3.452 ( 4.420 0.450 0.703) 4.498 3.677 ( -2.079 -6.265 -3.293) 7.377 3.677 ( 2.079 -6.265 -3.293) 7.377 3.770 ( -1.069 -1.973 0.100) 2.246 3.770 ( 1.069 -1.973 0.100) 2.246 3.918 ( -1.357 8.597 2.042) 8.940 3.918 ( 1.357 8.597 2.042) 8.940 4.066 ( -1.383 -2.188 -0.325) 2.609 4.066 ( 1.383 -2.188 -0.325) 2.609 4.301 ( -3.593 2.216 1.965) 4.656 4.301 ( 3.593 2.216 1.965) 4.656 4.438 ( -1.167 -1.776 -1.218) 2.450 4.438 ( 1.167 -1.776 -1.218) 2.450 4.751 ( -0.989 5.149 0.666) 5.285 4.751 ( 0.989 5.149 0.666) 5.285 4.803 ( -1.999 5.559 -2.038) 6.249 4.803 ( 1.999 5.559 -2.038) 6.249 5.231 ( -1.500 6.500 -0.279) 6.676 5.231 ( 1.500 6.500 -0.279) 6.676 5.450 ( -2.059 0.760 -1.589) 2.709 5.450 ( 2.059 0.760 -1.589) 2.709 5.762 ( -3.596 10.473 6.298) 12.738 5.762 ( 3.596 10.473 6.298) 12.738 5.897 ( -0.493 12.157 -5.570) 13.382 5.897 ( 0.493 12.157 -5.570) 13.382 6.106 ( -2.584 14.755 2.526) 15.191 6.106 ( 2.584 14.755 2.526) 15.191 6.202 ( -1.359 9.507 -6.410) 11.547 6.202 ( 1.359 9.507 -6.410) 11.547 6.489 ( -2.806 0.939 6.383) 7.036 6.489 ( 2.806 0.939 6.383) 7.036 6.602 ( -2.294 -1.955 -3.872) 4.907 6.602 ( 2.294 -1.955 -3.872) 4.907 6.827 ( -0.795 -2.180 1.323) 2.671 6.827 ( 0.795 -2.180 1.323) 2.671 7.000 ( -1.912 -4.224 1.150) 4.777 7.000 ( 1.912 -4.224 1.150) 4.777 7.646 ( -1.426 3.505 1.383) 4.029 7.646 ( 1.426 3.505 1.383) 4.029 7.999 ( -2.073 3.207 -0.123) 3.821 7.999 ( 2.073 3.207 -0.123) 3.821 8.055 ( -2.579 4.782 -3.706) 6.576 8.055 ( 2.579 4.782 -3.706) 6.576 8.413 ( -0.241 12.123 0.468) 12.134 8.413 ( 0.241 12.123 0.468) 12.134 8.538 ( -0.824 17.873 -1.031) 17.921 8.538 ( 0.824 17.873 -1.031) 17.921 8.684 ( -0.728 6.321 0.033) 6.363 8.684 ( 0.728 6.321 0.033) 6.363 8.967 ( -1.929 2.738 2.079) 3.942 8.967 ( 1.929 2.738 2.079) 3.942 9.064 ( -1.836 13.062 -0.981) 13.227 9.064 ( 1.836 13.062 -0.981) 13.227 10.078 ( -3.481 8.903 5.019) 10.797 10.078 ( 3.481 8.903 5.019) 10.797 10.184 ( -4.300 9.840 -3.106) 11.179 10.184 ( 4.300 9.840 -3.106) 11.179 10.460 ( -0.701 -2.901 1.217) 3.223 10.460 ( 0.701 -2.901 1.217) 3.223 10.574 ( -1.525 3.773 -2.013) 4.540 10.574 ( 1.525 3.773 -2.013) 4.540 11.300 ( -0.403 -3.679 1.246) 3.905 11.300 ( 0.403 -3.679 1.246) 3.905 11.531 ( -0.531 0.592 -0.069) 0.799 11.531 ( 0.531 0.592 -0.069) 0.799 11.810 ( -3.078 9.894 1.183) 10.429 11.810 ( 3.078 9.894 1.183) 10.429 11.910 ( -1.776 4.082 -3.567) 5.704 11.910 ( 1.776 4.082 -3.567) 5.704 12.362 ( -5.585 9.054 3.674) 11.255 12.362 ( 5.585 9.054 3.674) 11.255 12.514 ( -6.840 16.829 -2.878) 18.393 12.514 ( 6.840 16.829 -2.878) 18.393 12.673 ( -3.411 18.497 5.249) 19.528 12.673 ( 3.411 18.497 5.249) 19.528 12.821 ( -0.648 24.941 -6.869) 25.877 12.821 ( 0.648 24.941 -6.869) 25.877 14.262 ( -1.307 -24.330 1.908) 24.439 14.262 ( 1.307 -24.330 1.908) 24.439 14.334 ( -2.523 -21.912 -4.345) 22.480 14.334 ( 2.523 -21.912 -4.345) 22.480 17.401 ( -4.939 -7.512 15.618) 18.021 17.401 ( 4.939 -7.512 15.618) 18.021 17.752 ( -6.822 -11.280 -12.659) 18.276 17.752 ( 6.822 -11.280 -12.659) 18.276 18.826 ( -1.591 1.578 0.625) 2.326 18.826 ( 1.591 1.578 0.625) 2.326 19.176 ( -0.588 3.787 0.550) 3.871 19.176 ( 0.588 3.787 0.550) 3.871 19.603 ( -7.664 -8.019 6.793) 13.007 19.603 ( 7.664 -8.019 6.793) 13.007 19.789 ( -4.300 -9.965 -7.311) 13.086 19.789 ( 4.300 -9.965 -7.311) 13.086 ======================= Grid point 170 (61/72) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 0.000 3.284 2.252) 3.982 1.891 ( 0.000 4.422 -0.238) 4.428 1.999 ( 0.000 -0.441 1.609) 1.668 2.037 ( 0.000 1.400 -2.320) 2.710 2.050 ( 0.000 -1.604 5.738) 5.958 2.124 ( 0.000 8.960 1.207) 9.041 2.197 ( 0.000 -7.754 -1.835) 7.968 2.253 ( 0.000 -2.886 -3.915) 4.864 2.529 ( 0.000 7.414 2.114) 7.709 2.537 ( 0.000 3.397 0.040) 3.397 2.679 ( 0.000 -9.565 5.449) 11.009 2.819 ( 0.000 -2.970 -6.011) 6.705 3.024 ( 0.000 -17.492 -0.840) 17.512 3.062 ( 0.000 -12.542 -4.956) 13.485 3.456 ( 0.000 -6.173 7.304) 9.563 3.586 ( 0.000 -2.689 -3.443) 4.369 3.652 ( 0.000 7.354 -0.066) 7.355 3.655 ( 0.000 3.066 -1.870) 3.592 3.759 ( 0.000 -3.992 4.550) 6.053 3.852 ( 0.000 -1.528 -3.138) 3.490 3.878 ( 0.000 -6.966 8.248) 10.796 3.922 ( 0.000 3.809 3.173) 4.957 3.934 ( 0.000 0.280 -2.959) 2.972 4.082 ( 0.000 0.475 -7.609) 7.624 4.314 ( 0.000 -0.092 4.889) 4.890 4.383 ( 0.000 -5.092 -1.837) 5.413 4.505 ( 0.000 -4.122 -5.273) 6.693 4.507 ( 0.000 4.431 -4.646) 6.421 4.890 ( 0.000 7.614 -0.018) 7.614 4.926 ( 0.000 8.202 -2.554) 8.590 4.929 ( 0.000 8.906 0.846) 8.946 4.970 ( 0.000 8.826 -2.493) 9.171 5.315 ( 0.000 5.166 1.750) 5.454 5.337 ( 0.000 7.262 -0.531) 7.282 5.432 ( 0.000 6.051 9.245) 11.049 5.529 ( 0.000 2.154 -0.780) 2.291 5.730 ( 0.000 3.021 2.733) 4.073 5.862 ( 0.000 4.021 -9.406) 10.229 6.088 ( 0.000 3.977 3.756) 5.470 6.093 ( 0.000 0.014 3.536) 3.536 6.259 ( 0.000 3.438 5.443) 6.438 6.337 ( 0.000 11.594 -3.595) 12.138 6.343 ( 0.000 14.592 0.735) 14.611 6.434 ( 0.000 4.460 -5.679) 7.221 6.529 ( 0.000 3.264 2.844) 4.329 6.564 ( 0.000 1.285 -1.239) 1.786 6.727 ( 0.000 3.547 2.314) 4.235 6.776 ( 0.000 1.650 -2.738) 3.197 6.815 ( 0.000 17.638 5.901) 18.599 6.888 ( 0.000 0.444 3.036) 3.069 6.912 ( 0.000 15.884 -3.427) 16.249 6.960 ( 0.000 0.384 -3.814) 3.833 7.768 ( 0.000 6.125 2.994) 6.818 7.786 ( 0.000 3.793 1.462) 4.065 8.007 ( 0.000 0.469 -0.812) 0.938 8.008 ( 0.000 -1.510 -1.646) 2.234 8.254 ( 0.000 1.671 1.547) 2.277 8.317 ( 0.000 2.916 -5.177) 5.942 8.449 ( 0.000 -2.053 0.338) 2.080 8.474 ( 0.000 -3.379 -1.851) 3.853 8.755 ( 0.000 10.919 1.520) 11.025 8.782 ( 0.000 17.139 -0.083) 17.139 8.816 ( 0.000 11.983 -1.262) 12.049 8.819 ( 0.000 18.627 0.246) 18.628 9.150 ( 0.000 16.858 3.680) 17.255 9.241 ( 0.000 16.087 -5.494) 17.000 9.287 ( 0.000 12.832 3.417) 13.279 9.360 ( 0.000 13.178 -3.828) 13.722 10.151 ( 0.000 -2.116 1.352) 2.512 10.159 ( 0.000 1.467 0.869) 1.705 10.324 ( 0.000 0.180 5.790) 5.793 10.372 ( 0.000 3.038 4.177) 5.165 10.424 ( 0.000 -1.283 -4.078) 4.276 10.474 ( 0.000 6.246 -5.486) 8.313 10.612 ( 0.000 5.043 6.438) 8.178 10.747 ( 0.000 6.214 -6.290) 8.842 11.217 ( 0.000 -5.896 1.748) 6.150 11.256 ( 0.000 -5.010 -1.937) 5.372 11.409 ( 0.000 -7.456 1.673) 7.642 11.412 ( 0.000 -6.045 0.888) 6.110 11.764 ( 0.000 1.482 2.555) 2.954 11.852 ( 0.000 -0.771 -5.426) 5.481 11.934 ( 0.000 0.256 4.898) 4.904 12.033 ( 0.000 -0.236 -4.285) 4.292 12.187 ( 0.000 -4.705 5.125) 6.957 12.292 ( 0.000 -5.754 -5.401) 7.892 12.514 ( 0.000 -6.029 5.451) 8.128 12.611 ( 0.000 -6.929 -3.899) 7.951 13.382 ( 0.000 7.469 1.715) 7.663 13.413 ( 0.000 14.283 1.727) 14.387 13.422 ( 0.000 10.183 -2.191) 10.416 13.450 ( 0.000 20.400 -1.828) 20.482 13.967 ( 0.000 23.002 5.026) 23.545 14.083 ( 0.000 24.394 -6.323) 25.200 14.137 ( 0.000 21.258 9.512) 23.289 14.378 ( 0.000 21.692 -14.392) 26.032 17.209 ( 0.000 -4.318 10.540) 11.390 17.382 ( 0.000 -10.082 16.167) 19.053 17.420 ( 0.000 -7.485 -10.033) 12.517 17.665 ( 0.000 -14.687 -11.666) 18.757 18.610 ( 0.000 -3.561 2.885) 4.583 18.679 ( 0.000 -3.991 -3.956) 5.619 19.101 ( 0.000 -6.551 4.931) 8.199 19.174 ( 0.000 -6.092 -2.149) 6.460 19.403 ( 0.000 -6.971 6.048) 9.229 19.530 ( 0.000 -10.978 -6.256) 12.636 19.627 ( 0.000 -10.927 1.090) 10.981 19.659 ( 0.000 -9.596 -1.896) 9.782 ======================= Grid point 171 (62/72) ======================= q-point: ( 0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -1.362 3.681 2.390) 4.595 1.878 ( -1.959 0.498 -0.947) 2.232 1.996 ( -0.527 -1.269 1.559) 2.078 2.008 ( -1.733 -0.473 -0.308) 1.823 2.089 ( 3.944 0.847 3.267) 5.191 2.153 ( 2.200 7.271 -0.495) 7.613 2.251 ( 5.051 -8.314 0.675) 9.752 2.330 ( 5.704 0.824 -3.730) 6.865 2.497 ( -2.692 5.960 3.653) 7.491 2.502 ( -4.203 7.063 2.411) 8.566 2.650 ( -1.289 -7.848 -0.042) 7.953 2.743 ( -5.732 -3.487 -6.490) 9.334 3.117 ( 7.859 -13.436 -0.188) 15.567 3.147 ( 6.846 -14.411 -3.205) 16.273 3.399 ( -4.908 -6.166 4.838) 9.247 3.491 ( -8.058 -5.466 -3.262) 10.269 3.642 ( -0.668 2.793 1.441) 3.213 3.679 ( -1.585 1.918 -1.702) 3.014 3.725 ( 1.156 -1.114 4.391) 4.675 3.826 ( 0.011 -1.195 0.150) 1.204 3.876 ( -1.421 -3.404 2.955) 4.726 3.940 ( -0.463 -0.474 5.624) 5.663 3.988 ( 4.070 -0.663 -5.491) 6.867 4.105 ( 1.093 0.147 -7.279) 7.362 4.303 ( -0.240 -1.440 4.126) 4.376 4.380 ( 0.142 -4.051 -3.264) 5.204 4.435 ( -4.828 0.752 -0.635) 4.928 4.482 ( -2.854 1.507 -4.514) 5.549 4.914 ( 1.115 9.395 0.706) 9.488 4.921 ( -0.389 8.132 0.484) 8.155 4.962 ( 1.574 9.125 -1.037) 9.318 4.978 ( 2.437 12.664 -2.258) 13.092 5.303 ( -0.242 5.346 3.847) 6.591 5.359 ( 0.264 6.300 -0.330) 6.315 5.430 ( 1.139 2.933 4.854) 5.785 5.518 ( -1.032 2.343 -1.825) 3.144 5.774 ( 3.421 3.006 3.908) 6.001 5.909 ( 3.814 2.263 -8.360) 9.464 5.964 ( -6.367 1.804 6.272) 9.118 6.089 ( -4.320 1.275 -4.369) 6.275 6.297 ( 2.502 3.157 4.362) 5.937 6.314 ( 0.174 10.020 0.997) 10.071 6.407 ( 1.240 9.374 -3.211) 9.986 6.440 ( 1.554 4.038 -4.375) 6.153 6.573 ( 4.237 11.147 1.990) 12.089 6.581 ( 3.079 5.217 1.175) 6.171 6.738 ( 0.388 9.016 3.010) 9.513 6.780 ( -0.591 7.490 -1.172) 7.604 6.808 ( -0.123 10.556 4.314) 11.404 6.855 ( -1.601 6.735 1.095) 7.009 6.932 ( 0.274 7.326 -0.974) 7.396 6.955 ( -0.314 -1.660 -2.764) 3.239 7.749 ( -1.312 6.002 3.116) 6.888 7.769 ( -1.561 4.519 1.494) 5.009 7.992 ( -0.846 -2.167 -0.867) 2.483 8.002 ( -0.777 -0.413 -2.089) 2.266 8.168 ( -5.126 2.403 -0.737) 5.709 8.212 ( -6.708 2.627 -4.839) 8.678 8.529 ( 4.691 -6.104 0.839) 7.744 8.547 ( 3.947 -4.253 -0.832) 5.861 8.729 ( -0.735 15.850 1.720) 15.960 8.761 ( -1.576 15.380 -1.043) 15.496 8.849 ( 2.319 14.073 -0.221) 14.264 8.858 ( 2.280 16.662 -0.852) 16.839 9.168 ( 1.686 16.479 3.497) 16.930 9.234 ( -0.748 15.584 -2.156) 15.750 9.304 ( 1.431 13.562 0.721) 13.657 9.353 ( -0.715 13.272 -3.155) 13.661 10.150 ( 0.346 -0.186 1.997) 2.035 10.171 ( 0.692 0.014 -0.114) 0.702 10.306 ( -1.253 1.137 4.574) 4.877 10.380 ( -2.018 1.850 -0.651) 2.814 10.396 ( 0.321 0.548 1.668) 1.784 10.467 ( -0.944 5.270 -1.825) 5.656 10.628 ( 1.641 5.223 2.365) 5.964 10.725 ( -2.019 6.106 -5.650) 8.561 11.210 ( -0.395 -5.634 1.374) 5.813 11.235 ( -1.545 -4.919 -0.863) 5.228 11.425 ( 1.373 -7.341 1.340) 7.588 11.436 ( 1.344 -6.998 0.234) 7.130 11.793 ( 2.602 1.283 3.021) 4.189 11.880 ( 2.112 -0.303 -4.245) 4.751 11.918 ( -1.070 0.365 3.566) 3.741 12.018 ( -1.708 0.065 -4.991) 5.276 12.228 ( 4.013 -4.943 4.936) 8.056 12.324 ( 3.059 -6.237 -4.434) 8.241 12.470 ( -3.950 -6.216 5.182) 9.005 12.563 ( -4.559 -7.296 -3.723) 9.374 13.387 ( 0.413 8.180 1.659) 8.357 13.408 ( -0.437 12.119 1.480) 12.217 13.427 ( 0.403 12.928 -1.908) 13.074 13.446 ( -0.356 19.287 -1.843) 19.378 13.982 ( 1.533 22.736 5.592) 23.464 14.087 ( -1.783 20.950 3.549) 21.323 14.130 ( 1.896 25.162 -2.091) 25.320 14.324 ( -4.925 22.706 -12.918) 26.584 17.223 ( 1.449 -4.727 11.076) 12.129 17.333 ( -3.454 -8.097 12.857) 15.582 17.460 ( 3.029 -8.727 -7.942) 12.183 17.622 ( -3.834 -13.149 -11.371) 17.802 18.685 ( 6.207 -4.257 2.726) 8.005 18.745 ( 4.982 -4.487 -3.190) 7.425 19.101 ( 0.272 -6.955 4.036) 8.046 19.166 ( -1.023 -6.384 -2.196) 6.828 19.408 ( 0.848 -7.237 6.048) 9.470 19.527 ( -1.421 -10.941 -4.218) 11.811 19.581 ( -2.345 -10.007 1.183) 10.346 19.644 ( -1.908 -10.720 -3.560) 11.455 ======================= Grid point 172 (63/72) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -1.175 1.260 0.858) 1.924 1.840 ( 1.175 1.260 0.858) 1.924 1.988 ( -0.222 -1.480 0.585) 1.607 1.988 ( 0.222 -1.480 0.585) 1.607 2.165 ( -2.156 0.560 -0.233) 2.240 2.165 ( 2.156 0.560 -0.233) 2.240 2.369 ( -6.520 -0.079 4.725) 8.053 2.369 ( 6.520 -0.079 4.725) 8.053 2.443 ( -5.079 6.480 -0.821) 8.274 2.443 ( 5.079 6.480 -0.821) 8.274 2.652 ( -2.455 -3.087 -4.849) 6.251 2.652 ( 2.455 -3.087 -4.849) 6.251 3.283 ( -5.328 -11.661 1.036) 12.862 3.283 ( 5.328 -11.661 1.036) 12.862 3.305 ( -8.910 -10.330 -1.343) 13.708 3.305 ( 8.910 -10.330 -1.343) 13.708 3.635 ( -0.791 0.577 1.402) 1.710 3.635 ( 0.791 0.577 1.402) 1.710 3.798 ( -3.782 2.696 -2.511) 5.280 3.798 ( 3.782 2.696 -2.511) 5.280 3.888 ( -3.271 -3.939 7.828) 9.353 3.888 ( 3.271 -3.939 7.828) 9.353 4.073 ( -3.912 -2.540 -8.517) 9.711 4.073 ( 3.912 -2.540 -8.517) 9.711 4.338 ( -3.686 -0.338 3.448) 5.058 4.338 ( 3.686 -0.338 3.448) 5.058 4.419 ( -2.907 1.059 -3.587) 4.737 4.419 ( 2.907 1.059 -3.587) 4.737 4.918 ( -0.148 9.058 0.349) 9.066 4.918 ( 0.148 9.058 0.349) 9.066 4.999 ( -1.022 12.781 -0.147) 12.823 4.999 ( 1.022 12.781 -0.147) 12.823 5.327 ( -2.288 4.877 4.316) 6.903 5.327 ( 2.288 4.877 4.316) 6.903 5.482 ( -2.710 2.428 -2.634) 4.492 5.482 ( 2.710 2.428 -2.634) 4.492 5.853 ( -4.619 2.228 5.539) 7.548 5.853 ( 4.619 2.228 5.539) 7.548 5.992 ( -4.557 0.399 -6.859) 8.244 5.992 ( 4.557 0.399 -6.859) 8.244 6.320 ( -0.214 6.851 1.222) 6.962 6.320 ( 0.214 6.851 1.222) 6.962 6.430 ( -1.680 1.339 -3.112) 3.781 6.430 ( 1.680 1.339 -3.112) 3.781 6.664 ( -1.928 17.738 3.086) 18.107 6.664 ( 1.928 17.738 3.086) 18.107 6.725 ( -3.316 14.026 0.512) 14.421 6.725 ( 3.316 14.026 0.512) 14.421 6.830 ( -1.614 3.850 2.373) 4.802 6.830 ( 1.614 3.850 2.373) 4.802 6.940 ( -1.064 -0.535 -1.111) 1.628 6.940 ( 1.064 -0.535 -1.111) 1.628 7.740 ( -0.744 5.641 2.497) 6.214 7.740 ( 0.744 5.641 2.497) 6.214 7.987 ( -0.479 -2.258 -1.895) 2.986 7.987 ( 0.479 -2.258 -1.895) 2.986 8.122 ( -1.283 2.445 -3.399) 4.379 8.122 ( 1.283 2.445 -3.399) 4.379 8.583 ( -0.463 -6.109 0.282) 6.133 8.583 ( 0.463 -6.109 0.282) 6.133 8.736 ( -1.011 15.031 0.523) 15.074 8.736 ( 1.011 15.031 0.523) 15.074 8.880 ( -0.402 16.478 -0.930) 16.509 8.880 ( 0.402 16.478 -0.930) 16.509 9.207 ( -1.876 15.767 1.516) 15.950 9.207 ( 1.876 15.767 1.516) 15.950 9.333 ( -1.267 13.567 -1.531) 13.712 9.333 ( 1.267 13.567 -1.531) 13.712 10.168 ( -1.069 0.455 1.379) 1.803 10.168 ( 1.069 0.455 1.379) 1.803 10.314 ( -2.551 0.713 -0.044) 2.649 10.314 ( 2.551 0.713 -0.044) 2.649 10.434 ( -2.144 3.693 2.831) 5.123 10.434 ( 2.144 3.693 2.831) 5.123 10.675 ( -2.759 5.729 -3.220) 7.127 10.675 ( 2.759 5.729 -3.220) 7.127 11.211 ( -0.635 -5.157 0.479) 5.218 11.211 ( 0.635 -5.157 0.479) 5.218 11.446 ( -0.426 -7.500 0.455) 7.525 11.446 ( 0.426 -7.500 0.455) 7.525 11.854 ( -3.115 0.776 3.768) 4.950 11.854 ( 3.115 0.776 3.768) 4.950 11.962 ( -3.578 0.211 -5.274) 6.377 11.962 ( 3.578 0.211 -5.274) 6.377 12.329 ( -4.944 -5.381 3.699) 8.190 12.329 ( 4.944 -5.381 3.699) 8.190 12.454 ( -4.949 -7.556 -2.412) 9.349 12.454 ( 4.949 -7.556 -2.412) 9.349 13.397 ( -0.587 9.881 1.543) 10.018 13.397 ( 0.587 9.881 1.543) 10.018 13.437 ( -0.526 16.460 -1.865) 16.573 13.437 ( 0.526 16.460 -1.865) 16.573 14.028 ( -3.008 21.857 6.772) 23.079 14.028 ( 3.008 21.857 6.772) 23.079 14.212 ( -5.417 24.511 -9.557) 26.860 14.212 ( 5.417 24.511 -9.557) 26.860 17.267 ( -2.870 -6.013 12.241) 13.937 17.267 ( 2.870 -6.013 12.241) 13.937 17.535 ( -4.317 -10.547 -10.103) 15.230 17.535 ( 4.317 -10.547 -10.103) 15.230 18.787 ( -2.185 -4.615 0.634) 5.145 18.787 ( 2.185 -4.615 0.634) 5.145 19.128 ( -2.376 -7.204 -0.317) 7.593 19.128 ( 2.376 -7.204 -0.317) 7.593 19.453 ( -3.795 -8.617 4.704) 10.525 19.453 ( 3.795 -8.617 4.704) 10.525 19.595 ( -2.370 -11.066 -4.556) 12.200 19.595 ( 2.370 -11.066 -4.556) 12.200 ======================= Grid point 175 (64/72) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.000 -8.578 5.914) 10.419 1.859 ( 0.000 -3.145 -2.098) 3.781 1.900 ( 0.000 -10.022 1.961) 10.212 1.951 ( 0.000 -8.118 -2.925) 8.629 1.982 ( 0.000 -4.281 6.024) 7.390 2.091 ( 0.000 -5.386 -4.344) 6.919 2.274 ( 0.000 -9.951 4.724) 11.015 2.365 ( 0.000 -3.485 3.249) 4.765 2.407 ( 0.000 -0.685 -5.335) 5.379 2.483 ( 0.000 8.613 -5.926) 10.455 2.652 ( 0.000 1.970 9.559) 9.760 2.871 ( 0.000 1.806 -11.676) 11.815 2.899 ( 0.000 5.624 1.800) 5.905 2.962 ( 0.000 5.051 -4.218) 6.581 3.304 ( 0.000 -8.671 11.519) 14.418 3.468 ( 0.000 -8.817 -2.371) 9.130 3.581 ( 0.000 -9.412 11.839) 15.125 3.702 ( 0.000 1.077 0.995) 1.466 3.773 ( 0.000 3.881 -2.848) 4.814 3.784 ( 0.000 -4.065 -5.632) 6.946 3.800 ( 0.000 -2.833 1.317) 3.124 3.887 ( 0.000 -3.868 -6.393) 7.472 3.980 ( 0.000 0.418 0.859) 0.955 4.066 ( 0.000 -3.673 -9.989) 10.643 4.305 ( 0.000 1.348 -1.120) 1.753 4.324 ( 0.000 -0.289 -2.468) 2.485 4.509 ( 0.000 2.599 0.949) 2.767 4.583 ( 0.000 2.804 -6.419) 7.005 4.973 ( 0.000 2.497 1.637) 2.986 5.018 ( 0.000 2.981 -1.510) 3.342 5.063 ( 0.000 3.805 0.949) 3.922 5.098 ( 0.000 3.788 -2.422) 4.496 5.421 ( 0.000 5.716 7.841) 9.703 5.526 ( 0.000 9.270 -2.444) 9.587 5.589 ( 0.000 4.302 5.019) 6.610 5.611 ( 0.000 9.916 4.376) 10.839 5.780 ( 0.000 2.232 3.209) 3.909 5.915 ( 0.000 1.229 -7.135) 7.240 6.044 ( 0.000 -3.371 5.463) 6.419 6.082 ( 0.000 -1.975 2.420) 3.124 6.313 ( 0.000 4.303 5.888) 7.293 6.427 ( 0.000 0.771 -4.501) 4.567 6.501 ( 0.000 3.182 -0.432) 3.212 6.506 ( 0.000 2.485 -1.644) 2.979 6.694 ( 0.000 6.632 0.221) 6.635 6.723 ( 0.000 6.485 -2.000) 6.786 6.779 ( 0.000 6.497 1.931) 6.777 6.831 ( 0.000 5.088 -2.639) 5.731 6.929 ( 0.000 4.967 1.175) 5.104 6.971 ( 0.000 3.489 -3.250) 4.768 7.193 ( 0.000 16.475 2.726) 16.699 7.231 ( 0.000 13.654 -1.290) 13.714 7.873 ( 0.000 4.904 4.178) 6.443 7.901 ( 0.000 7.001 1.359) 7.132 7.983 ( 0.000 -0.287 1.024) 1.063 8.018 ( 0.000 0.843 -0.684) 1.085 8.278 ( 0.000 0.778 3.028) 3.126 8.329 ( 0.000 -3.980 -3.457) 5.272 8.333 ( 0.000 -6.831 -1.248) 6.944 8.382 ( 0.000 -1.410 -5.328) 5.511 9.038 ( 0.000 15.157 1.554) 15.236 9.091 ( 0.000 15.229 -3.899) 15.720 9.111 ( 0.000 14.647 3.438) 15.045 9.159 ( 0.000 15.588 -0.714) 15.604 9.445 ( 0.000 12.734 2.193) 12.921 9.508 ( 0.000 11.010 -4.559) 11.916 9.534 ( 0.000 12.352 3.014) 12.714 9.608 ( 0.000 11.700 -4.208) 12.434 10.047 ( 0.000 -7.170 1.839) 7.402 10.077 ( 0.000 -7.149 -1.084) 7.231 10.286 ( 0.000 -3.000 4.164) 5.132 10.365 ( 0.000 -4.072 -3.617) 5.446 10.528 ( 0.000 9.641 5.022) 10.870 10.625 ( 0.000 7.668 -4.543) 8.913 10.710 ( 0.000 4.709 6.678) 8.172 10.834 ( 0.000 2.814 -5.257) 5.963 11.094 ( 0.000 -6.344 2.209) 6.718 11.146 ( 0.000 -6.015 -2.718) 6.601 11.249 ( 0.000 -8.642 1.902) 8.849 11.271 ( 0.000 -8.110 -0.457) 8.123 11.799 ( 0.000 2.106 1.353) 2.503 11.845 ( 0.000 0.267 -3.082) 3.094 11.935 ( 0.000 0.088 3.928) 3.929 12.006 ( 0.000 -1.913 -2.601) 3.229 12.083 ( 0.000 -5.364 3.770) 6.556 12.167 ( 0.000 -6.496 -4.622) 7.973 12.389 ( 0.000 -6.150 3.742) 7.199 12.457 ( 0.000 -7.905 -2.764) 8.374 13.180 ( 0.000 -16.096 0.565) 16.106 13.192 ( 0.000 -16.893 -0.550) 16.902 13.315 ( 0.000 -11.700 0.937) 11.738 13.329 ( 0.000 -13.350 -0.377) 13.355 15.003 ( 0.000 59.655 2.218) 59.696 15.053 ( 0.000 55.488 4.154) 55.643 15.063 ( 0.000 57.537 -3.590) 57.649 15.170 ( 0.000 49.529 -7.511) 50.095 17.142 ( 0.000 -2.372 7.427) 7.796 17.231 ( 0.000 -5.276 10.670) 11.904 17.288 ( 0.000 -5.870 -6.792) 8.977 17.420 ( 0.000 -10.219 -7.780) 12.843 18.523 ( 0.000 -5.799 2.438) 6.290 18.580 ( 0.000 -6.512 -3.245) 7.276 18.902 ( 0.000 -13.986 3.418) 14.397 18.953 ( 0.000 -16.285 -1.563) 16.360 19.183 ( 0.000 -14.483 2.556) 14.706 19.239 ( 0.000 -17.840 -2.797) 18.058 19.427 ( 0.000 -9.512 1.194) 9.587 19.457 ( 0.000 -10.658 -1.600) 10.777 ======================= Grid point 176 (65/72) ======================= q-point: ( 0.25 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -0.348 -7.077 6.095) 9.347 1.833 ( -2.507 -3.716 2.439) 5.103 1.921 ( 0.391 -8.988 4.428) 10.028 1.944 ( -1.469 -5.777 -0.475) 5.979 1.978 ( 2.140 -6.641 -4.244) 8.167 2.073 ( -1.241 -7.323 -7.471) 10.535 2.326 ( 3.927 -6.171 5.647) 9.241 2.380 ( 1.472 -9.513 3.993) 10.422 2.470 ( 3.937 -1.943 -1.261) 4.568 2.530 ( 5.291 12.125 -7.110) 15.019 2.612 ( -3.293 5.341 8.750) 10.767 2.807 ( -4.634 8.093 -9.016) 12.971 2.966 ( 4.897 -2.477 -0.216) 5.492 3.021 ( 5.484 2.667 -3.704) 7.135 3.247 ( -5.669 -8.539 8.284) 13.178 3.370 ( -8.796 -6.437 -2.442) 11.170 3.584 ( 0.438 -7.320 10.579) 12.872 3.668 ( -4.429 -1.389 4.809) 6.683 3.730 ( 2.406 -0.086 -0.365) 2.435 3.789 ( -0.261 0.737 -0.452) 0.903 3.855 ( 2.121 -0.815 -8.813) 9.101 3.901 ( 0.830 -6.652 -8.159) 10.559 3.961 ( -0.918 -0.223 1.401) 1.690 4.066 ( -2.561 -4.491 -8.810) 10.214 4.279 ( -0.178 1.226 0.342) 1.285 4.327 ( 0.460 -0.758 -3.819) 3.921 4.469 ( -3.246 1.766 0.925) 3.809 4.525 ( -4.120 1.700 -4.479) 6.318 5.019 ( 2.377 3.653 2.739) 5.148 5.054 ( 2.135 5.474 -0.598) 5.906 5.119 ( 5.577 5.014 3.225) 8.163 5.182 ( 6.129 7.199 -2.067) 9.678 5.410 ( -1.094 4.426 4.948) 6.728 5.489 ( -2.172 6.589 -1.577) 7.114 5.534 ( -3.456 5.434 5.536) 8.492 5.581 ( -1.935 4.504 1.501) 5.127 5.834 ( 3.493 3.391 3.797) 6.174 5.945 ( 1.897 1.962 -2.564) 3.745 5.987 ( -3.308 1.207 0.995) 3.659 6.061 ( -3.589 -2.259 -3.081) 5.242 6.330 ( 1.934 2.226 5.446) 6.194 6.431 ( 0.084 0.248 -3.257) 3.267 6.446 ( -2.828 3.291 1.795) 4.695 6.500 ( -1.667 2.184 -2.117) 3.469 6.747 ( 3.562 3.454 0.743) 5.017 6.764 ( 3.600 2.340 -0.219) 4.299 6.801 ( 1.111 4.706 1.343) 5.018 6.855 ( 1.183 2.366 -2.596) 3.706 6.969 ( 4.786 11.234 1.546) 12.308 7.007 ( 4.099 9.060 -2.333) 10.215 7.183 ( -1.431 17.088 2.851) 17.383 7.215 ( -2.007 14.251 -0.486) 14.400 7.855 ( -1.439 4.187 3.184) 5.453 7.872 ( -1.795 5.295 0.913) 5.664 7.953 ( -2.371 -0.755 1.426) 2.867 8.009 ( -1.677 1.335 -2.745) 3.483 8.195 ( -4.209 0.692 -0.536) 4.299 8.245 ( -5.864 0.374 -4.895) 7.648 8.393 ( 3.464 -5.825 1.414) 6.923 8.429 ( 2.250 -5.717 -1.602) 6.350 9.043 ( 0.331 15.542 1.497) 15.618 9.079 ( -1.351 15.687 -1.522) 15.818 9.139 ( 2.550 14.262 1.058) 14.527 9.173 ( 1.148 14.694 -1.510) 14.816 9.458 ( 1.177 12.398 2.311) 12.666 9.502 ( -0.409 11.444 -1.288) 11.524 9.552 ( 1.087 11.317 0.022) 11.369 9.595 ( -1.201 10.837 -3.195) 11.362 10.080 ( 2.952 -5.181 1.046) 6.054 10.100 ( 2.277 -5.920 -0.905) 6.407 10.263 ( -1.998 -3.319 3.414) 5.163 10.325 ( -3.617 -4.063 -2.731) 6.087 10.540 ( 1.226 9.154 4.816) 10.416 10.611 ( -1.432 7.506 -0.594) 7.664 10.728 ( 1.790 4.770 2.202) 5.550 10.816 ( -1.639 3.232 -4.732) 5.960 11.094 ( 0.102 -6.062 1.590) 6.268 11.129 ( -1.375 -5.794 -1.659) 6.182 11.258 ( 0.859 -9.077 1.397) 9.224 11.278 ( 0.304 -8.828 -0.488) 8.847 11.823 ( 2.228 1.922 1.986) 3.550 11.880 ( 2.989 0.373 -3.374) 4.523 11.921 ( -1.341 0.249 3.768) 4.007 11.999 ( -1.087 -1.402 -3.507) 3.930 12.122 ( 3.837 -5.405 3.405) 7.452 12.192 ( 2.784 -6.786 -3.513) 8.133 12.346 ( -4.064 -6.028 3.593) 8.109 12.410 ( -4.460 -7.691 -2.573) 9.256 13.195 ( 1.448 -15.646 0.572) 15.723 13.206 ( 1.402 -16.522 -0.510) 16.589 13.291 ( -2.189 -12.760 0.838) 12.973 13.303 ( -2.293 -14.226 -0.354) 14.414 15.007 ( 0.391 59.265 2.293) 59.311 15.037 ( -0.983 56.837 2.606) 56.905 15.081 ( 1.269 56.112 -2.848) 56.198 15.151 ( -1.713 50.980 -6.629) 51.437 17.150 ( 0.819 -2.595 7.734) 8.199 17.209 ( -1.749 -4.438 9.252) 10.410 17.310 ( 1.817 -6.531 -6.052) 9.088 17.399 ( -1.909 -9.408 -7.559) 12.219 18.580 ( 4.753 -6.969 2.260) 8.733 18.630 ( 3.724 -7.701 -2.696) 8.969 18.904 ( 0.404 -13.600 2.848) 13.901 18.949 ( -0.496 -15.745 -1.557) 15.829 19.194 ( 1.290 -13.701 2.778) 14.040 19.253 ( 1.361 -16.443 -2.962) 16.763 19.377 ( -4.304 -10.203 1.889) 11.234 19.419 ( -3.538 -11.838 -2.127) 12.537 ======================= Grid point 177 (66/72) ======================= q-point: (-0.50 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -2.055 -5.045 6.208) 8.259 1.781 ( 2.055 -5.045 6.208) 8.259 1.921 ( -0.542 -6.110 0.339) 6.143 1.921 ( 0.542 -6.110 0.339) 6.143 2.038 ( -2.622 -8.229 -7.268) 11.287 2.038 ( 2.622 -8.229 -7.268) 11.287 2.389 ( -1.440 -10.110 4.418) 11.127 2.389 ( 1.440 -10.110 4.418) 11.127 2.533 ( -3.392 5.811 5.667) 8.797 2.533 ( 3.392 5.811 5.667) 8.797 2.684 ( -7.586 10.423 -8.659) 15.530 2.684 ( 7.586 10.423 -8.659) 15.530 3.093 ( -6.962 -6.822 3.709) 10.430 3.093 ( 6.962 -6.822 3.709) 10.430 3.178 ( -8.482 -2.481 -3.765) 9.606 3.178 ( 8.482 -2.481 -3.765) 9.606 3.607 ( -1.962 -3.801 7.923) 9.004 3.607 ( 1.962 -3.801 7.923) 9.004 3.775 ( -1.395 -1.379 0.036) 1.962 3.775 ( 1.395 -1.379 0.036) 1.962 3.902 ( -2.621 1.356 -3.536) 4.606 3.902 ( 2.621 1.356 -3.536) 4.606 3.972 ( -4.718 -6.288 -9.162) 12.072 3.972 ( 4.718 -6.288 -9.162) 12.072 4.319 ( -2.647 -0.159 -0.070) 2.653 4.319 ( 2.647 -0.159 -0.070) 2.653 4.448 ( -2.601 0.575 -2.625) 3.740 4.448 ( 2.601 0.575 -2.625) 3.740 5.060 ( -1.469 6.123 2.135) 6.648 5.060 ( 1.469 6.123 2.135) 6.648 5.222 ( -2.955 8.188 3.604) 9.421 5.222 ( 2.955 8.188 3.604) 9.421 5.431 ( -4.647 5.331 2.736) 7.583 5.431 ( 4.647 5.331 2.736) 7.583 5.532 ( -3.302 2.146 -1.205) 4.118 5.532 ( 3.302 2.146 -1.205) 4.118 5.903 ( -3.827 3.281 2.973) 5.852 5.903 ( 3.827 3.281 2.973) 5.852 5.994 ( -2.313 0.592 -4.501) 5.095 5.994 ( 2.313 0.592 -4.501) 5.095 6.379 ( -2.859 0.821 2.380) 3.809 6.379 ( 2.859 0.821 2.380) 3.809 6.461 ( -1.849 2.250 -1.283) 3.182 6.461 ( 1.849 2.250 -1.283) 3.182 6.793 ( -1.432 1.392 0.492) 2.057 6.793 ( 1.432 1.392 0.492) 2.057 6.841 ( -2.540 -0.356 -0.683) 2.654 6.841 ( 2.540 -0.356 -0.683) 2.654 7.087 ( -3.216 15.753 1.891) 16.188 7.087 ( 3.216 15.753 1.891) 16.188 7.145 ( -2.997 16.160 0.552) 16.445 7.145 ( 2.997 16.160 0.552) 16.445 7.844 ( -0.860 4.354 2.252) 4.977 7.844 ( 0.860 4.354 2.252) 4.977 7.950 ( -2.885 -1.350 -2.726) 4.192 7.950 ( 2.885 -1.350 -2.726) 4.192 8.164 ( -1.403 2.267 -2.722) 3.810 8.164 ( 1.403 2.267 -2.722) 3.810 8.442 ( -1.087 -6.460 0.738) 6.592 8.442 ( 1.087 -6.460 0.738) 6.592 9.054 ( -0.922 15.862 0.328) 15.892 9.054 ( 0.922 15.862 0.328) 15.892 9.180 ( -0.927 14.062 -0.900) 14.122 9.180 ( 0.927 14.062 -0.900) 14.122 9.486 ( -1.328 11.935 1.143) 12.063 9.486 ( 1.328 11.935 1.143) 12.063 9.570 ( -0.981 10.157 -1.595) 10.329 9.570 ( 0.981 10.157 -1.595) 10.329 10.133 ( -0.973 -3.146 0.061) 3.293 10.133 ( 0.973 -3.146 0.061) 3.293 10.249 ( -2.385 -4.642 0.091) 5.219 10.249 ( 2.385 -4.642 0.091) 5.219 10.574 ( -1.990 8.082 3.453) 9.011 10.574 ( 1.990 8.082 3.453) 9.011 10.773 ( -2.451 4.151 -2.681) 5.516 10.773 ( 2.451 4.151 -2.681) 5.516 11.104 ( -0.937 -5.743 0.140) 5.820 11.104 ( 0.937 -5.743 0.140) 5.820 11.275 ( -0.589 -9.446 0.249) 9.467 11.275 ( 0.589 -9.446 0.249) 9.467 11.875 ( -2.555 1.340 3.054) 4.201 11.875 ( 2.555 1.340 3.054) 4.201 11.953 ( -3.260 -0.563 -3.956) 5.157 11.953 ( 3.260 -0.563 -3.956) 5.157 12.219 ( -4.479 -5.472 2.286) 7.432 12.219 ( 4.479 -5.472 2.286) 7.432 12.305 ( -4.467 -7.402 -1.464) 8.769 12.305 ( 4.467 -7.402 -1.464) 8.769 13.231 ( -1.183 -14.387 0.280) 14.438 13.231 ( 1.183 -14.387 0.280) 14.438 13.256 ( -1.195 -15.737 -0.023) 15.783 13.256 ( 1.195 -15.737 -0.023) 15.783 15.019 ( -0.784 58.182 2.492) 58.241 15.019 ( 0.784 58.182 2.492) 58.241 15.113 ( -1.883 53.895 -4.707) 54.133 15.113 ( 1.883 53.895 -4.707) 54.133 17.174 ( -1.551 -3.298 8.444) 9.197 17.174 ( 1.551 -3.298 8.444) 9.197 17.353 ( -2.396 -7.841 -6.826) 10.668 17.353 ( 2.396 -7.841 -6.826) 10.668 18.660 ( -1.809 -8.773 0.415) 8.967 18.660 ( 1.809 -8.773 0.415) 8.967 18.927 ( -1.640 -14.015 -0.194) 14.112 18.927 ( 1.640 -14.015 -0.194) 14.112 19.244 ( -3.352 -11.664 1.734) 12.259 19.244 ( 3.352 -11.664 1.734) 12.259 19.342 ( -2.855 -14.173 -1.726) 14.561 19.342 ( 2.855 -14.173 -1.726) 14.561 ======================= Grid point 180 (67/72) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.000 -4.531 5.747) 7.319 1.704 ( 0.000 -8.505 0.191) 8.507 1.775 ( 0.000 -8.289 3.522) 9.006 1.813 ( 0.000 -2.409 -2.055) 3.166 1.887 ( 0.000 -3.523 -1.269) 3.745 1.903 ( 0.000 -10.550 -1.144) 10.612 2.059 ( 0.000 -7.814 1.525) 7.961 2.100 ( 0.000 -11.213 -1.648) 11.333 2.627 ( 0.000 11.378 4.569) 12.261 2.716 ( 0.000 10.141 -3.388) 10.692 2.734 ( 0.000 6.042 7.624) 9.728 2.911 ( 0.000 2.076 -7.754) 8.027 3.048 ( 0.000 6.737 1.464) 6.894 3.078 ( 0.000 3.985 -1.287) 4.188 3.138 ( 0.000 -6.979 9.681) 11.934 3.281 ( 0.000 -9.249 -2.216) 9.511 3.473 ( 0.000 -0.650 6.213) 6.247 3.665 ( 0.000 -5.894 -9.757) 11.399 3.699 ( 0.000 -3.542 0.983) 3.676 3.725 ( 0.000 -4.560 -0.722) 4.617 3.823 ( 0.000 1.294 -4.743) 4.917 3.836 ( 0.000 -0.902 -7.010) 7.067 3.962 ( 0.000 -1.110 -0.781) 1.357 3.985 ( 0.000 -3.047 -4.450) 5.393 4.351 ( 0.000 1.984 -2.802) 3.434 4.354 ( 0.000 2.416 -3.330) 4.115 4.558 ( 0.000 2.193 -0.277) 2.210 4.610 ( 0.000 0.086 -5.737) 5.738 5.021 ( 0.000 2.387 2.592) 3.524 5.060 ( 0.000 1.163 -0.804) 1.413 5.098 ( 0.000 0.636 1.917) 2.020 5.127 ( 0.000 -0.171 -1.202) 1.214 5.526 ( 0.000 4.662 10.354) 11.355 5.607 ( 0.000 1.026 5.108) 5.210 5.719 ( 0.000 6.176 -0.470) 6.194 5.762 ( 0.000 4.567 -1.227) 4.729 5.816 ( 0.000 1.933 5.722) 6.039 5.896 ( 0.000 -2.459 1.740) 3.012 6.015 ( 0.000 0.407 1.406) 1.463 6.048 ( 0.000 -1.271 0.750) 1.475 6.401 ( 0.000 3.493 1.809) 3.933 6.438 ( 0.000 0.223 -1.740) 1.754 6.547 ( 0.000 1.914 0.545) 1.990 6.548 ( 0.000 1.975 0.898) 2.170 6.766 ( 0.000 2.508 0.073) 2.509 6.790 ( 0.000 2.051 -2.305) 3.086 6.880 ( 0.000 2.981 0.122) 2.983 6.899 ( 0.000 1.775 -1.643) 2.418 7.048 ( 0.000 5.180 -2.267) 5.655 7.066 ( 0.000 4.097 -4.117) 5.808 7.441 ( 0.000 8.666 0.285) 8.671 7.444 ( 0.000 7.844 -0.283) 7.849 7.959 ( 0.000 3.073 6.898) 7.551 7.965 ( 0.000 0.694 5.344) 5.389 8.041 ( 0.000 1.858 0.100) 1.860 8.064 ( 0.000 6.714 -2.270) 7.088 8.203 ( 0.000 -5.679 0.895) 5.750 8.241 ( 0.000 -3.557 -3.864) 5.252 8.303 ( 0.000 1.294 0.773) 1.507 8.369 ( 0.000 -1.191 -5.129) 5.266 9.309 ( 0.000 12.022 1.553) 12.122 9.348 ( 0.000 9.286 2.855) 9.715 9.364 ( 0.000 11.833 -3.004) 12.209 9.403 ( 0.000 8.778 -1.127) 8.850 9.632 ( 0.000 6.460 0.672) 6.495 9.668 ( 0.000 5.402 -3.193) 6.275 9.749 ( 0.000 7.353 1.750) 7.559 9.788 ( 0.000 4.273 -2.209) 4.811 9.915 ( 0.000 -3.856 1.507) 4.140 9.949 ( 0.000 -3.022 -2.016) 3.633 10.206 ( 0.000 -5.082 2.796) 5.800 10.262 ( 0.000 -6.407 -2.826) 7.003 10.710 ( 0.000 8.547 2.640) 8.946 10.757 ( 0.000 5.662 -2.048) 6.022 10.797 ( 0.000 4.244 4.500) 6.186 10.872 ( 0.000 1.359 -2.686) 3.010 10.985 ( 0.000 -4.354 2.199) 4.878 11.030 ( 0.000 -5.642 -1.966) 5.974 11.086 ( 0.000 -7.518 1.363) 7.641 11.110 ( 0.000 -7.887 -0.914) 7.940 11.848 ( 0.000 2.896 0.426) 2.927 11.864 ( 0.000 1.607 -1.150) 1.976 11.943 ( 0.000 0.551 1.455) 1.556 11.966 ( 0.000 -2.259 -0.679) 2.359 11.989 ( 0.000 -3.854 2.623) 4.663 12.052 ( 0.000 -4.901 -3.524) 6.037 12.289 ( 0.000 -3.776 1.725) 4.151 12.322 ( 0.000 -5.534 -1.439) 5.718 12.915 ( 0.000 -9.897 0.242) 9.900 12.919 ( 0.000 -10.098 -0.196) 10.100 13.110 ( 0.000 -8.095 0.292) 8.100 13.111 ( 0.000 -7.950 0.203) 7.953 16.044 ( 0.000 43.374 0.417) 43.376 16.073 ( 0.000 45.328 0.789) 45.335 16.079 ( 0.000 41.389 -3.032) 41.500 16.104 ( 0.000 43.157 -2.344) 43.220 17.124 ( 0.000 0.858 4.146) 4.234 17.182 ( 0.000 0.671 5.870) 5.908 17.199 ( 0.000 -2.973 -3.162) 4.341 17.275 ( 0.000 -4.173 -3.264) 5.298 18.346 ( 0.000 -12.955 1.704) 13.067 18.384 ( 0.000 -14.257 -2.071) 14.407 18.538 ( 0.000 -22.366 1.011) 22.389 18.551 ( 0.000 -23.254 -0.368) 23.257 18.914 ( 0.000 -10.480 0.526) 10.493 18.923 ( 0.000 -11.540 -0.369) 11.546 19.275 ( 0.000 -5.495 0.193) 5.498 19.283 ( 0.000 -6.276 -0.504) 6.296 ======================= Grid point 181 (68/72) ======================= q-point: ( 0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 1.539 -3.098 6.304) 7.190 1.725 ( 0.878 -5.892 -0.161) 5.960 1.765 ( 0.066 -5.741 5.990) 8.297 1.838 ( -0.141 -2.469 -0.515) 2.526 1.865 ( 0.602 -7.161 -3.554) 8.017 1.908 ( 0.336 -7.140 -4.155) 8.267 2.071 ( 1.223 -10.791 2.074) 11.056 2.114 ( 0.499 -13.128 -1.477) 13.220 2.643 ( 1.659 10.073 5.562) 11.626 2.727 ( -0.359 6.455 7.110) 9.610 2.754 ( 3.145 7.941 -3.751) 9.328 2.899 ( -1.284 1.482 -6.074) 6.383 3.046 ( -0.455 7.127 2.354) 7.519 3.085 ( -1.440 -1.283 5.229) 5.574 3.108 ( -0.124 -1.231 1.219) 1.737 3.252 ( -3.141 -5.303 -4.146) 7.428 3.490 ( 1.629 -1.107 5.939) 6.257 3.621 ( -4.490 -2.836 1.934) 5.652 3.682 ( 1.066 -5.004 -6.868) 8.564 3.751 ( -0.360 -7.528 -6.919) 10.231 3.826 ( 0.944 2.069 -2.793) 3.601 3.848 ( 1.780 0.640 -6.146) 6.430 3.937 ( -1.527 -1.786 -0.775) 2.474 3.973 ( -1.748 -3.943 -4.148) 5.984 4.320 ( -1.456 1.909 -2.175) 3.239 4.343 ( -0.288 1.470 -4.096) 4.361 4.493 ( -5.202 1.126 -0.057) 5.323 4.541 ( -5.506 -0.073 -4.443) 7.076 5.085 ( 4.414 3.108 4.545) 7.057 5.147 ( 4.830 4.238 -1.408) 6.578 5.161 ( 7.740 0.046 5.312) 9.387 5.253 ( 9.510 0.498 -3.113) 10.019 5.482 ( -3.140 3.129 8.668) 9.736 5.557 ( -6.304 -0.102 8.654) 10.707 5.612 ( -3.743 3.921 -3.253) 6.321 5.671 ( -5.528 2.673 -1.011) 6.223 5.908 ( 4.687 3.880 4.016) 7.290 5.975 ( 3.233 0.613 1.611) 3.664 6.016 ( 0.353 1.477 -0.323) 1.553 6.036 ( -1.555 -0.029 -1.980) 2.518 6.384 ( -0.310 2.782 3.215) 4.263 6.436 ( -0.752 0.185 -1.262) 1.481 6.500 ( -2.949 1.968 2.092) 4.117 6.522 ( -2.444 0.395 0.835) 2.613 6.787 ( 1.673 1.541 -0.468) 2.322 6.798 ( 0.986 1.481 -1.761) 2.503 6.852 ( -1.922 1.518 -1.539) 2.892 6.871 ( -1.745 0.228 -2.852) 3.351 7.171 ( 9.379 7.339 -0.011) 11.909 7.183 ( 9.803 6.488 -1.361) 11.834 7.434 ( -1.453 8.323 0.987) 8.506 7.441 ( -0.522 8.613 0.548) 8.646 7.904 ( -2.679 0.781 2.603) 3.816 7.919 ( -3.002 0.738 4.100) 5.135 7.992 ( -4.658 3.164 -1.107) 5.739 8.052 ( -4.506 1.982 -4.480) 6.655 8.202 ( 0.114 0.212 1.328) 1.350 8.232 ( 0.573 -0.474 0.009) 0.744 8.329 ( 0.776 -1.319 -1.124) 1.899 8.347 ( -0.354 -2.565 -1.778) 3.141 9.318 ( 0.685 12.168 1.691) 12.304 9.349 ( -0.411 11.169 0.105) 11.177 9.384 ( 1.966 10.507 -0.441) 10.698 9.409 ( 0.739 8.800 -1.244) 8.918 9.635 ( 0.319 5.650 0.777) 5.712 9.665 ( -0.379 5.155 -1.749) 5.456 9.721 ( -1.978 4.158 0.609) 4.644 9.743 ( -2.784 3.063 -1.796) 4.512 9.995 ( 5.846 -2.132 0.199) 6.226 10.007 ( 4.745 -1.179 -1.064) 5.004 10.188 ( -1.789 -4.255 2.255) 5.137 10.235 ( -2.737 -5.169 -2.433) 6.335 10.711 ( 0.202 7.953 2.510) 8.342 10.743 ( -1.120 5.903 0.124) 6.009 10.810 ( 1.065 3.485 1.915) 4.117 10.860 ( -1.033 1.389 -2.176) 2.781 10.987 ( 0.263 -4.273 1.528) 4.546 11.017 ( -1.042 -5.249 -1.207) 5.486 11.089 ( 0.293 -7.780 0.988) 7.848 11.107 ( -0.332 -8.119 -0.692) 8.155 11.869 ( 1.806 2.717 0.940) 3.396 11.896 ( 2.674 1.262 -1.658) 3.390 11.935 ( -0.931 1.183 1.843) 2.380 11.972 ( -0.013 -1.335 -1.537) 2.036 12.028 ( 3.955 -4.025 1.847) 5.938 12.070 ( 2.496 -5.452 -2.364) 6.446 12.247 ( -4.009 -3.722 1.671) 5.720 12.278 ( -4.194 -5.396 -1.316) 6.960 12.935 ( 2.028 -9.755 0.210) 9.966 12.939 ( 1.923 -9.929 -0.124) 10.115 13.071 ( -3.424 -8.531 0.246) 9.195 13.072 ( -3.462 -8.436 0.161) 9.120 16.048 ( 0.336 43.756 0.389) 43.759 16.067 ( -0.471 44.804 0.194) 44.807 16.084 ( 0.319 41.993 -2.348) 42.060 16.100 ( -0.367 42.939 -2.329) 43.004 17.130 ( 0.616 0.926 4.310) 4.451 17.169 ( -1.011 0.689 4.779) 4.934 17.213 ( 1.117 -2.977 -2.346) 3.951 17.264 ( -1.014 -3.940 -3.183) 5.165 18.376 ( 2.444 -14.222 1.469) 14.505 18.407 ( 1.545 -15.373 -1.547) 15.528 18.541 ( 0.377 -22.607 0.749) 22.622 18.553 ( 0.098 -23.293 -0.424) 23.297 18.952 ( 4.050 -8.838 0.895) 9.763 18.970 ( 4.445 -10.261 -0.798) 11.210 19.215 ( -5.620 -5.695 0.422) 8.012 19.227 ( -5.281 -6.794 -0.662) 8.631 ======================= Grid point 182 (69/72) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -2.271 -2.252 5.653) 6.495 1.700 ( 2.271 -2.252 5.653) 6.495 1.798 ( -2.177 -4.533 1.636) 5.288 1.798 ( 2.177 -4.533 1.636) 5.288 1.905 ( -1.180 -5.540 -5.902) 8.180 1.905 ( 1.180 -5.540 -5.902) 8.180 2.102 ( -1.541 -14.573 0.675) 14.669 2.102 ( 1.541 -14.573 0.675) 14.669 2.691 ( -2.730 7.624 7.698) 11.173 2.691 ( 2.730 7.624 7.698) 11.173 2.844 ( -4.466 2.887 -5.981) 8.003 2.844 ( 4.466 2.887 -5.981) 8.003 3.038 ( -0.740 2.553 6.101) 6.655 3.038 ( 0.740 2.553 6.101) 6.655 3.168 ( -4.437 0.021 -4.522) 6.335 3.168 ( 4.437 0.021 -4.522) 6.335 3.539 ( -3.328 -1.653 4.833) 6.097 3.539 ( 3.328 -1.653 4.833) 6.097 3.715 ( -2.046 -6.324 -8.350) 10.673 3.715 ( 2.046 -6.324 -8.350) 10.673 3.878 ( -1.948 -0.724 -3.393) 3.979 3.878 ( 1.948 -0.724 -3.393) 3.979 3.915 ( -2.377 -0.948 -2.834) 3.818 3.915 ( 2.377 -0.948 -2.834) 3.818 4.342 ( -2.402 2.145 -1.636) 3.612 4.342 ( 2.402 2.145 -1.636) 3.612 4.434 ( -2.985 -1.708 -3.363) 4.810 4.434 ( 2.985 -1.708 -3.363) 4.810 5.173 ( -3.076 5.544 3.861) 7.423 5.173 ( 3.076 5.544 3.861) 7.423 5.307 ( -5.311 0.877 6.295) 8.282 5.307 ( 5.311 0.877 6.295) 8.282 5.511 ( -6.306 2.549 -0.067) 6.802 5.511 ( 6.306 2.549 -0.067) 6.802 5.550 ( -5.731 -0.184 -0.612) 5.766 5.550 ( 5.731 -0.184 -0.612) 5.766 5.977 ( -2.797 3.785 1.278) 4.877 5.977 ( 2.797 3.785 1.278) 4.877 6.019 ( -0.545 1.515 -1.181) 1.997 6.019 ( 0.545 1.515 -1.181) 1.997 6.404 ( -1.937 1.927 2.012) 3.393 6.404 ( 1.937 1.927 2.012) 3.393 6.479 ( -1.169 -0.524 1.558) 2.017 6.479 ( 1.169 -0.524 1.558) 2.017 6.815 ( -1.297 1.029 -1.291) 2.100 6.815 ( 1.297 1.029 -1.291) 2.100 6.835 ( -1.775 -0.089 -2.579) 3.132 6.835 ( 1.775 -0.089 -2.579) 3.132 7.338 ( -3.434 9.505 1.612) 10.234 7.338 ( 3.434 9.505 1.612) 10.234 7.387 ( -3.361 7.861 1.783) 8.733 7.387 ( 3.361 7.861 1.783) 8.733 7.897 ( -2.592 1.295 0.069) 2.899 7.897 ( 2.592 1.295 0.069) 2.899 7.933 ( -4.999 -0.667 -3.137) 5.940 7.933 ( 4.999 -0.667 -3.137) 5.940 8.221 ( -1.341 3.444 -0.279) 3.707 8.221 ( 1.341 3.444 -0.279) 3.707 8.346 ( -0.838 -3.544 0.639) 3.697 8.346 ( 0.838 -3.544 0.639) 3.697 9.334 ( -0.845 12.300 0.796) 12.355 9.334 ( 0.845 12.300 0.796) 12.355 9.417 ( -0.614 9.546 -0.842) 9.603 9.417 ( 0.614 9.546 -0.842) 9.603 9.648 ( -1.092 4.367 0.674) 4.551 9.648 ( 1.092 4.367 0.674) 4.551 9.705 ( -0.767 2.968 -1.498) 3.412 9.705 ( 0.767 2.968 -1.498) 3.412 10.081 ( -0.953 -1.090 -0.027) 1.448 10.081 ( 0.953 -1.090 -0.027) 1.448 10.166 ( -2.306 -3.619 -0.570) 4.329 10.166 ( 2.306 -3.619 -0.570) 4.329 10.721 ( -0.860 6.736 1.831) 7.033 10.721 ( 0.860 6.736 1.831) 7.033 10.835 ( -1.370 2.075 -0.678) 2.577 10.835 ( 1.370 2.075 -0.678) 2.577 10.997 ( -0.790 -4.551 0.201) 4.624 10.997 ( 0.790 -4.551 0.201) 4.624 11.098 ( -0.533 -8.177 0.094) 8.195 11.098 ( 0.533 -8.177 0.094) 8.195 11.907 ( -1.766 1.885 1.694) 3.089 11.907 ( 1.766 1.885 1.694) 3.089 11.948 ( -2.184 0.004 -2.314) 3.182 11.948 ( 2.184 0.004 -2.314) 3.182 12.128 ( -3.757 -3.496 0.839) 5.200 12.128 ( 3.757 -3.496 0.839) 5.200 12.176 ( -3.711 -5.518 -0.511) 6.669 12.176 ( 3.711 -5.518 -0.511) 6.669 12.991 ( -0.490 -9.054 0.078) 9.068 12.991 ( 0.490 -9.054 0.078) 9.068 12.999 ( -0.355 -9.583 0.144) 9.591 12.999 ( 0.355 -9.583 0.144) 9.591 16.057 ( -0.499 44.495 0.327) 44.499 16.057 ( 0.499 44.495 0.327) 44.499 16.091 ( -0.428 42.369 -2.338) 42.436 16.091 ( 0.428 42.369 -2.338) 42.436 17.147 ( -1.023 0.971 4.628) 4.838 17.147 ( 1.023 0.971 4.628) 4.838 17.239 ( -1.391 -3.472 -2.861) 4.709 17.239 ( 1.391 -3.472 -2.861) 4.709 18.416 ( -0.968 -15.981 0.255) 16.013 18.416 ( 0.968 -15.981 0.255) 16.013 18.551 ( -0.393 -23.149 -0.132) 23.153 18.551 ( 0.393 -23.149 -0.132) 23.153 19.066 ( -4.043 -5.809 0.289) 7.083 19.066 ( 4.043 -5.809 0.289) 7.083 19.101 ( -3.779 -8.822 -0.370) 9.604 19.101 ( 3.779 -8.822 -0.370) 9.604 ======================= Grid point 185 (70/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.000 -1.123 1.046) 1.535 1.601 ( 0.000 1.123 1.046) 1.535 1.720 ( 0.000 -3.031 1.792) 3.521 1.720 ( 0.000 3.031 1.792) 3.521 1.849 ( 0.000 -1.152 -0.316) 1.194 1.849 ( 0.000 1.152 -0.316) 1.194 1.974 ( 0.000 -0.615 -0.181) 0.641 1.974 ( 0.000 0.615 -0.181) 0.641 2.791 ( 0.000 -3.505 3.167) 4.724 2.791 ( 0.000 3.505 3.167) 4.724 2.863 ( 0.000 -6.528 6.548) 9.246 2.863 ( 0.000 6.528 6.548) 9.246 3.091 ( 0.000 -2.027 1.116) 2.314 3.091 ( 0.000 2.027 1.116) 2.314 3.151 ( 0.000 -3.654 -4.057) 5.460 3.151 ( 0.000 3.654 -4.057) 5.460 3.536 ( 0.000 -5.817 -4.848) 7.572 3.536 ( 0.000 5.817 -4.848) 7.572 3.662 ( 0.000 -0.644 -1.046) 1.228 3.662 ( 0.000 0.644 -1.046) 1.228 3.832 ( 0.000 -0.020 -5.153) 5.153 3.832 ( 0.000 0.020 -5.153) 5.153 3.955 ( 0.000 -0.411 -2.054) 2.095 3.955 ( 0.000 0.411 -2.054) 2.095 4.376 ( 0.000 -0.267 -3.247) 3.258 4.376 ( 0.000 0.267 -3.247) 3.258 4.594 ( 0.000 -1.499 -3.200) 3.534 4.594 ( 0.000 1.499 -3.200) 3.534 5.057 ( 0.000 -1.169 1.768) 2.120 5.057 ( 0.000 1.169 1.768) 2.120 5.113 ( 0.000 -0.937 0.270) 0.975 5.113 ( 0.000 0.937 0.270) 0.975 5.595 ( 0.000 -2.234 8.965) 9.239 5.595 ( 0.000 2.234 8.965) 9.239 5.785 ( 0.000 -0.947 -3.449) 3.577 5.785 ( 0.000 0.947 -3.449) 3.577 5.860 ( 0.000 -1.568 6.696) 6.878 5.860 ( 0.000 1.568 6.697) 6.878 6.029 ( 0.000 -0.789 0.060) 0.792 6.029 ( 0.000 0.789 0.060) 0.792 6.435 ( 0.000 -0.525 -0.551) 0.761 6.435 ( 0.000 0.525 -0.551) 0.761 6.571 ( 0.000 -0.047 1.792) 1.793 6.571 ( 0.000 0.047 1.792) 1.793 6.802 ( 0.000 -0.847 -1.316) 1.565 6.802 ( 0.000 0.847 -1.316) 1.565 6.913 ( 0.000 -0.426 -0.834) 0.937 6.913 ( 0.000 0.426 -0.834) 0.937 7.102 ( 0.000 -0.378 -3.989) 4.007 7.102 ( 0.000 0.378 -3.989) 4.007 7.525 ( 0.000 -0.089 -0.413) 0.423 7.525 ( 0.000 0.089 -0.413) 0.423 7.978 ( 0.000 -0.414 7.081) 7.093 7.978 ( 0.000 0.414 7.081) 7.093 8.103 ( 0.000 -4.014 -0.174) 4.018 8.103 ( 0.000 4.014 -0.174) 4.018 8.176 ( 0.000 -3.883 -2.792) 4.782 8.176 ( 0.000 3.883 -2.792) 4.783 8.335 ( 0.000 -1.930 -1.808) 2.645 8.335 ( 0.000 1.930 -1.808) 2.645 9.448 ( 0.000 -0.074 2.429) 2.430 9.448 ( 0.000 0.074 2.429) 2.430 9.498 ( 0.000 -0.407 -2.311) 2.346 9.498 ( 0.000 0.407 -2.311) 2.346 9.719 ( 0.000 -2.918 -0.181) 2.924 9.719 ( 0.000 2.918 -0.181) 2.924 9.743 ( 0.000 -0.723 -1.113) 1.327 9.743 ( 0.000 0.723 -1.113) 1.327 9.978 ( 0.000 -2.531 0.179) 2.537 9.978 ( 0.000 2.531 0.179) 2.537 10.143 ( 0.000 -2.776 -0.846) 2.902 10.143 ( 0.000 2.776 -0.846) 2.902 10.832 ( 0.000 -0.052 0.058) 0.078 10.832 ( 0.000 0.052 0.058) 0.078 10.857 ( 0.000 -3.418 0.921) 3.540 10.857 ( 0.000 3.418 0.921) 3.540 10.954 ( 0.000 -1.802 0.690) 1.930 10.954 ( 0.000 1.802 0.690) 1.930 10.998 ( 0.000 -1.467 -0.039) 1.468 10.998 ( 0.000 1.467 -0.039) 1.468 11.905 ( 0.000 -0.732 0.164) 0.750 11.905 ( 0.000 0.732 0.165) 0.750 11.912 ( 0.000 -1.198 0.111) 1.203 11.912 ( 0.000 1.198 0.111) 1.203 11.984 ( 0.000 -2.182 -0.629) 2.271 11.984 ( 0.000 2.182 -0.629) 2.271 12.257 ( 0.000 -0.819 -0.055) 0.821 12.257 ( 0.000 0.819 -0.055) 0.821 12.817 ( 0.000 -0.135 0.013) 0.135 12.817 ( 0.000 0.135 0.013) 0.136 13.030 ( 0.000 -0.071 0.258) 0.267 13.030 ( 0.000 0.071 0.258) 0.267 16.522 ( 0.000 -0.566 -1.808) 1.895 16.522 ( 0.000 0.566 -1.808) 1.895 16.586 ( 0.000 -0.761 -0.972) 1.235 16.586 ( 0.000 0.762 -0.972) 1.235 17.168 ( 0.000 -1.847 0.976) 2.089 17.168 ( 0.000 1.847 0.976) 2.090 17.242 ( 0.000 -2.294 1.693) 2.851 17.242 ( 0.000 2.294 1.693) 2.851 18.161 ( 0.000 -1.549 -0.036) 1.549 18.161 ( 0.000 1.548 -0.036) 1.549 18.234 ( 0.000 -0.723 -0.003) 0.723 18.234 ( 0.000 0.723 -0.003) 0.723 18.817 ( 0.000 -0.139 0.066) 0.154 18.817 ( 0.000 0.139 0.066) 0.154 19.222 ( 0.000 -0.081 -0.127) 0.150 19.222 ( 0.000 0.081 -0.127) 0.150 ======================= Grid point 187 (71/72) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 4.162 -1.971 1.741) 4.923 1.652 ( 4.162 1.971 1.741) 4.923 1.726 ( 0.437 -3.050 1.505) 3.429 1.726 ( 0.437 3.050 1.505) 3.429 1.850 ( 0.499 -2.146 -0.269) 2.219 1.850 ( 0.499 2.146 -0.269) 2.219 1.957 ( -1.972 -1.075 -0.499) 2.301 1.957 ( -1.972 1.075 -0.499) 2.301 2.788 ( 0.078 -3.946 2.802) 4.840 2.788 ( 0.078 3.946 2.802) 4.840 2.853 ( -1.438 -5.695 6.173) 8.521 2.853 ( -1.438 5.695 6.173) 8.521 3.082 ( 0.723 -2.631 2.036) 3.404 3.082 ( 0.723 2.631 2.036) 3.404 3.171 ( 0.163 -3.856 -4.141) 5.660 3.171 ( 0.163 3.856 -4.141) 5.660 3.541 ( 0.789 -5.150 -4.758) 7.056 3.541 ( 0.789 5.150 -4.758) 7.056 3.639 ( -2.376 -2.923 -3.110) 4.885 3.639 ( -2.376 2.923 -3.110) 4.885 3.857 ( 2.041 -0.711 -3.430) 4.054 3.857 ( 2.041 0.711 -3.430) 4.054 3.922 ( -2.061 -1.085 -2.391) 3.338 3.922 ( -2.061 1.085 -2.391) 3.338 4.349 ( -1.182 -0.861 -3.237) 3.552 4.349 ( -1.182 0.861 -3.237) 3.552 4.523 ( -6.233 -1.623 -2.590) 6.942 4.523 ( -6.233 1.623 -2.590) 6.942 5.137 ( 6.502 -2.121 5.614) 8.848 5.137 ( 6.502 2.121 5.614) 8.848 5.222 ( 8.508 -3.118 -2.784) 9.480 5.222 ( 8.508 3.118 -2.784) 9.480 5.532 ( -5.207 -1.996 9.993) 11.443 5.532 ( -5.207 1.996 9.993) 11.443 5.672 ( -5.880 -1.950 -3.284) 7.011 5.672 ( -5.880 1.950 -3.284) 7.011 5.966 ( 4.861 -1.698 3.569) 6.265 5.966 ( 4.861 1.698 3.569) 6.265 6.036 ( 0.397 -0.495 -0.427) 0.764 6.036 ( 0.397 0.495 -0.427) 0.764 6.425 ( -0.362 -1.331 0.385) 1.432 6.425 ( -0.362 1.331 0.385) 1.432 6.523 ( -3.933 -0.397 2.155) 4.502 6.523 ( -3.933 0.398 2.155) 4.502 6.809 ( 0.730 -0.429 -1.600) 1.810 6.809 ( 0.730 0.429 -1.600) 1.810 6.870 ( -2.466 -0.382 -2.614) 3.614 6.870 ( -2.466 0.382 -2.614) 3.614 7.243 ( 11.000 -0.260 -0.884) 11.039 7.243 ( 11.000 0.261 -0.884) 11.039 7.521 ( -0.827 -0.388 0.425) 1.007 7.521 ( -0.827 0.388 0.425) 1.007 7.917 ( -3.515 -0.669 4.010) 5.375 7.917 ( -3.515 0.669 4.010) 5.375 8.045 ( -6.265 -2.136 -3.829) 7.647 8.045 ( -6.265 2.136 -3.829) 7.647 8.223 ( 3.707 -1.225 1.445) 4.163 8.223 ( 3.707 1.225 1.445) 4.163 8.320 ( -1.218 -0.495 -1.159) 1.753 8.320 ( -1.218 0.495 -1.159) 1.753 9.468 ( 1.710 -1.435 1.920) 2.944 9.468 ( 1.710 1.435 1.920) 2.944 9.503 ( 0.299 -1.423 -1.328) 1.969 9.503 ( 0.299 1.423 -1.328) 1.969 9.700 ( -1.194 -2.536 0.154) 2.808 9.700 ( -1.194 2.536 0.154) 2.808 9.726 ( -1.659 -0.227 -1.669) 2.364 9.726 ( -1.659 0.227 -1.669) 2.364 10.026 ( 4.024 -1.560 -0.053) 4.316 10.026 ( 4.024 1.560 -0.053) 4.316 10.141 ( -0.594 -2.405 -0.781) 2.597 10.141 ( -0.594 2.405 -0.781) 2.597 10.828 ( -0.315 -0.955 0.118) 1.012 10.828 ( -0.315 0.955 0.118) 1.013 10.843 ( -1.110 -2.857 0.604) 3.124 10.843 ( -1.110 2.857 0.604) 3.124 10.962 ( 0.645 -1.259 0.757) 1.604 10.962 ( 0.645 1.259 0.757) 1.604 10.992 ( -0.617 -1.366 0.136) 1.505 10.992 ( -0.617 1.366 0.136) 1.505 11.917 ( 1.005 -0.811 -0.015) 1.291 11.917 ( 1.005 0.811 -0.015) 1.291 11.947 ( 1.610 -0.309 -0.080) 1.641 11.947 ( 1.610 0.309 -0.080) 1.641 11.994 ( 2.600 -1.690 -0.295) 3.115 11.994 ( 2.600 1.690 -0.295) 3.115 12.215 ( -4.104 -0.767 -0.026) 4.175 12.215 ( -4.104 0.767 -0.026) 4.175 12.838 ( 2.134 -0.100 0.035) 2.137 12.838 ( 2.134 0.100 0.035) 2.137 12.986 ( -3.852 -0.060 0.208) 3.858 12.986 ( -3.852 0.060 0.208) 3.858 16.531 ( 0.850 -0.581 -1.674) 1.966 16.531 ( 0.850 0.582 -1.674) 1.966 16.576 ( -0.932 -0.726 -1.087) 1.606 16.576 ( -0.932 0.727 -1.087) 1.606 17.179 ( 1.034 -1.934 1.086) 2.447 17.179 ( 1.034 1.934 1.086) 2.447 17.232 ( -1.006 -2.253 1.595) 2.938 17.232 ( -1.006 2.253 1.595) 2.938 18.182 ( 1.684 -1.523 -0.037) 2.270 18.182 ( 1.684 1.523 -0.037) 2.270 18.230 ( -0.436 -0.926 -0.010) 1.024 18.230 ( -0.436 0.926 -0.010) 1.024 18.873 ( 5.373 -0.313 0.033) 5.382 18.873 ( 5.373 0.313 0.033) 5.382 19.161 ( -5.747 -0.155 -0.105) 5.750 19.161 ( -5.747 0.155 -0.105) 5.750 ======================= Grid point 189 (72/72) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -1.712 -3.809 2.185) 4.713 1.718 ( 1.604 -3.797 2.185) 4.666 1.718 ( -1.604 3.798 2.185) 4.666 1.718 ( 1.712 3.809 2.185) 4.713 1.894 ( -1.740 -5.422 -0.879) 5.762 1.894 ( -0.472 -5.357 -0.879) 5.449 1.894 ( 0.472 5.357 -0.879) 5.449 1.894 ( 1.740 5.422 -0.879) 5.762 2.810 ( -2.104 -4.445 4.279) 6.519 2.810 ( 2.071 -4.441 4.279) 6.505 2.810 ( -2.071 4.441 4.279) 6.506 2.810 ( 2.104 4.445 4.279) 6.519 3.132 ( -3.329 -4.208 -0.540) 5.393 3.132 ( 3.071 -4.158 -0.540) 5.197 3.132 ( -3.071 4.158 -0.540) 5.197 3.132 ( 3.329 4.208 -0.540) 5.393 3.579 ( -2.389 -5.630 -5.118) 7.975 3.579 ( 1.627 -5.562 -5.118) 7.731 3.579 ( -1.627 5.562 -5.118) 7.731 3.579 ( 2.389 5.630 -5.118) 7.975 3.892 ( -1.275 -1.286 -2.104) 2.776 3.892 ( 0.853 -1.195 -2.104) 2.565 3.892 ( -0.853 1.195 -2.104) 2.565 3.892 ( 1.275 1.286 -2.104) 2.776 4.390 ( -4.901 -2.259 -2.922) 6.137 4.390 ( -2.865 -1.073 -2.922) 4.231 4.390 ( 2.865 1.073 -2.922) 4.231 4.390 ( 4.901 2.259 -2.922) 6.137 5.271 ( -5.104 -3.970 5.375) 8.409 5.271 ( 3.147 -3.424 5.375) 7.108 5.271 ( -3.147 3.424 5.375) 7.108 5.271 ( 5.104 3.970 5.375) 8.409 5.539 ( -6.850 -0.775 -0.441) 6.908 5.539 ( -6.845 0.764 -0.441) 6.902 5.539 ( 6.845 -0.764 -0.441) 6.902 5.539 ( 6.850 0.775 -0.441) 6.908 6.028 ( -1.527 -1.037 0.627) 1.949 6.028 ( 0.811 -0.810 0.627) 1.306 6.028 ( -0.811 0.810 0.627) 1.306 6.028 ( 1.527 1.037 0.627) 1.949 6.448 ( -2.056 -2.085 2.004) 3.548 6.448 ( -0.733 -1.851 2.004) 2.824 6.448 ( 0.733 1.851 2.004) 2.824 6.448 ( 2.056 2.085 2.004) 3.548 6.831 ( -1.397 -0.408 -2.499) 2.892 6.831 ( -1.135 -0.028 -2.499) 2.745 6.831 ( 1.135 0.028 -2.499) 2.745 6.831 ( 1.397 0.408 -2.499) 2.892 7.448 ( -7.269 -1.138 1.913) 7.602 7.448 ( -6.932 0.314 1.913) 7.198 7.448 ( 6.932 -0.314 1.913) 7.198 7.448 ( 7.269 1.138 1.913) 7.602 7.916 ( -4.242 -0.922 -2.187) 4.861 7.916 ( -4.059 0.685 -2.187) 4.661 7.916 ( 4.059 -0.685 -2.187) 4.661 7.916 ( 4.242 0.922 -2.187) 4.861 8.287 ( -1.380 -2.891 0.718) 3.283 8.287 ( -0.161 -2.809 0.718) 2.903 8.287 ( 0.161 2.809 0.718) 2.903 8.287 ( 1.380 2.891 0.718) 3.283 9.499 ( -0.910 -2.902 0.613) 3.102 9.499 ( 0.849 -2.897 0.613) 3.081 9.499 ( -0.849 2.897 0.613) 3.081 9.499 ( 0.910 2.902 0.613) 3.102 9.694 ( -0.794 -2.218 -0.938) 2.535 9.694 ( 0.684 -2.208 -0.938) 2.495 9.694 ( -0.684 2.209 -0.938) 2.495 9.694 ( 0.794 2.218 -0.938) 2.535 10.105 ( -2.453 -2.569 -0.513) 3.589 10.105 ( -0.225 -2.260 -0.513) 2.329 10.105 ( 0.225 2.260 -0.513) 2.329 10.105 ( 2.453 2.569 -0.513) 3.589 10.827 ( -0.212 -3.568 0.263) 3.584 10.827 ( 0.187 -3.567 0.263) 3.582 10.827 ( -0.187 3.567 0.263) 3.582 10.827 ( 0.212 3.568 0.263) 3.584 10.977 ( -0.327 -3.382 0.536) 3.440 10.977 ( 0.166 -3.379 0.536) 3.425 10.977 ( -0.166 3.379 0.536) 3.426 10.977 ( 0.327 3.382 0.536) 3.440 11.940 ( -1.148 -1.195 -0.237) 1.674 11.940 ( 0.965 -1.154 -0.237) 1.523 11.940 ( -0.965 1.154 -0.237) 1.523 11.940 ( 1.148 1.195 -0.237) 1.674 12.103 ( -6.184 -1.008 0.027) 6.265 12.103 ( -5.847 0.064 0.027) 5.848 12.103 ( 5.847 -0.064 0.027) 5.848 12.103 ( 6.184 1.008 0.027) 6.265 12.901 ( -4.032 -0.041 0.107) 4.034 12.901 ( -4.031 0.009 0.107) 4.033 12.901 ( 4.031 -0.009 0.107) 4.033 12.901 ( 4.032 0.041 0.107) 4.034 16.553 ( -1.179 -0.774 -1.372) 1.968 16.553 ( 0.045 -0.503 -1.372) 1.462 16.553 ( -0.045 0.503 -1.372) 1.462 16.553 ( 1.179 0.775 -1.372) 1.968 17.206 ( -1.301 -2.498 1.347) 3.122 17.206 ( 1.031 -2.467 1.347) 2.994 17.206 ( -1.031 2.467 1.347) 2.994 17.206 ( 1.301 2.499 1.347) 3.122 18.213 ( -0.623 -3.556 -0.026) 3.611 18.213 ( 0.245 -3.545 -0.026) 3.553 18.213 ( -0.245 3.545 -0.026) 3.553 18.213 ( 0.623 3.556 -0.026) 3.611 19.015 ( -8.014 -0.340 -0.043) 8.022 19.015 ( -8.001 0.248 -0.043) 8.005 19.015 ( 8.001 -0.248 -0.043) 8.005 19.015 ( 8.014 0.340 -0.043) 8.022 =================== 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 3/30240 10.0 460.014 641.586 859.169 0.000 0.000 0.000 3/30240 20.0 104.324 141.996 123.798 0.000 0.000 0.000 3/30240 30.0 37.481 59.730 41.788 0.000 0.000 0.000 3/30240 40.0 18.931 33.208 21.018 0.000 0.000 0.000 3/30240 50.0 11.634 21.742 12.904 0.000 0.000 0.000 3/30240 60.0 8.064 15.760 8.921 0.000 0.000 0.000 3/30240 70.0 6.049 12.232 6.670 0.000 0.000 0.000 3/30240 80.0 4.791 9.969 5.266 0.000 0.000 0.000 3/30240 90.0 3.947 8.427 4.326 0.000 0.000 0.000 3/30240 100.0 3.349 7.326 3.661 0.000 0.000 0.000 3/30240 110.0 2.905 6.511 3.170 0.000 0.000 0.000 3/30240 120.0 2.566 5.888 2.796 0.000 0.000 0.000 3/30240 130.0 2.298 5.399 2.502 0.000 0.000 0.000 3/30240 140.0 2.082 5.006 2.266 0.000 0.000 0.000 3/30240 150.0 1.905 4.684 2.073 0.000 0.000 0.000 3/30240 160.0 1.757 4.413 1.912 0.000 0.000 0.000 3/30240 170.0 1.632 4.182 1.776 0.000 0.000 0.000 3/30240 180.0 1.524 3.982 1.660 0.000 0.000 0.000 3/30240 190.0 1.431 3.806 1.559 0.000 0.000 0.000 3/30240 200.0 1.349 3.649 1.471 0.000 0.000 0.000 3/30240 210.0 1.277 3.508 1.393 0.000 0.000 0.000 3/30240 220.0 1.213 3.380 1.324 0.000 0.000 0.000 3/30240 230.0 1.155 3.262 1.262 0.000 0.000 0.000 3/30240 240.0 1.103 3.154 1.206 0.000 0.000 0.000 3/30240 250.0 1.056 3.053 1.155 0.000 0.000 0.000 3/30240 260.0 1.013 2.960 1.109 0.000 0.000 0.000 3/30240 270.0 0.974 2.872 1.066 0.000 0.000 0.000 3/30240 280.0 0.938 2.790 1.027 0.000 0.000 0.000 3/30240 290.0 0.904 2.712 0.991 0.000 0.000 0.000 3/30240 300.0 0.873 2.639 0.957 0.000 0.000 0.000 3/30240 310.0 0.844 2.570 0.926 0.000 0.000 0.000 3/30240 320.0 0.818 2.504 0.897 0.000 0.000 0.000 3/30240 330.0 0.792 2.441 0.870 0.000 0.000 0.000 3/30240 340.0 0.769 2.382 0.844 0.000 0.000 0.000 3/30240 350.0 0.747 2.325 0.820 0.000 0.000 0.000 3/30240 360.0 0.726 2.271 0.798 0.000 0.000 0.000 3/30240 370.0 0.706 2.219 0.776 0.000 0.000 0.000 3/30240 380.0 0.688 2.169 0.756 0.000 0.000 0.000 3/30240 390.0 0.670 2.122 0.737 0.000 0.000 0.000 3/30240 400.0 0.653 2.076 0.719 0.000 0.000 0.000 3/30240 410.0 0.637 2.033 0.701 0.000 0.000 0.000 3/30240 420.0 0.622 1.991 0.685 0.000 0.000 0.000 3/30240 430.0 0.608 1.950 0.669 0.000 0.000 0.000 3/30240 440.0 0.594 1.911 0.654 0.000 0.000 0.000 3/30240 450.0 0.581 1.874 0.640 0.000 0.000 0.000 3/30240 460.0 0.568 1.838 0.626 0.000 0.000 0.000 3/30240 470.0 0.556 1.803 0.613 0.000 0.000 0.000 3/30240 480.0 0.545 1.770 0.600 0.000 0.000 0.000 3/30240 490.0 0.534 1.738 0.588 0.000 0.000 0.000 3/30240 500.0 0.523 1.706 0.577 0.000 0.000 0.000 3/30240 510.0 0.513 1.676 0.566 0.000 0.000 0.000 3/30240 520.0 0.503 1.647 0.555 0.000 0.000 0.000 3/30240 530.0 0.494 1.619 0.544 0.000 0.000 0.000 3/30240 540.0 0.485 1.592 0.535 0.000 0.000 0.000 3/30240 550.0 0.476 1.565 0.525 0.000 0.000 0.000 3/30240 560.0 0.468 1.540 0.516 0.000 0.000 0.000 3/30240 570.0 0.460 1.515 0.507 0.000 0.000 0.000 3/30240 580.0 0.452 1.491 0.498 0.000 0.000 0.000 3/30240 590.0 0.444 1.468 0.490 0.000 0.000 0.000 3/30240 600.0 0.437 1.445 0.482 0.000 0.000 0.000 3/30240 610.0 0.430 1.423 0.474 0.000 0.000 0.000 3/30240 620.0 0.423 1.402 0.467 0.000 0.000 0.000 3/30240 630.0 0.416 1.381 0.459 0.000 0.000 0.000 3/30240 640.0 0.410 1.361 0.452 0.000 0.000 0.000 3/30240 650.0 0.404 1.342 0.445 0.000 0.000 0.000 3/30240 660.0 0.398 1.323 0.439 0.000 0.000 0.000 3/30240 670.0 0.392 1.304 0.432 0.000 0.000 0.000 3/30240 680.0 0.386 1.286 0.426 0.000 0.000 0.000 3/30240 690.0 0.380 1.269 0.420 0.000 0.000 0.000 3/30240 700.0 0.375 1.252 0.414 0.000 0.000 0.000 3/30240 710.0 0.370 1.235 0.408 0.000 0.000 0.000 3/30240 720.0 0.365 1.219 0.402 0.000 0.000 0.000 3/30240 730.0 0.360 1.203 0.397 0.000 0.000 0.000 3/30240 740.0 0.355 1.188 0.392 0.000 0.000 0.000 3/30240 750.0 0.350 1.172 0.387 0.000 0.000 0.000 3/30240 760.0 0.346 1.158 0.382 0.000 0.000 0.000 3/30240 770.0 0.341 1.144 0.377 0.000 0.000 0.000 3/30240 780.0 0.337 1.130 0.372 0.000 0.000 0.000 3/30240 790.0 0.333 1.116 0.367 0.000 0.000 0.000 3/30240 800.0 0.328 1.103 0.363 0.000 0.000 0.000 3/30240 810.0 0.324 1.090 0.358 0.000 0.000 0.000 3/30240 820.0 0.321 1.077 0.354 0.000 0.000 0.000 3/30240 830.0 0.317 1.065 0.350 0.000 0.000 0.000 3/30240 840.0 0.313 1.052 0.346 0.000 0.000 0.000 3/30240 850.0 0.309 1.041 0.342 0.000 0.000 0.000 3/30240 860.0 0.306 1.029 0.338 0.000 0.000 0.000 3/30240 870.0 0.302 1.018 0.334 0.000 0.000 0.000 3/30240 880.0 0.299 1.006 0.330 0.000 0.000 0.000 3/30240 890.0 0.296 0.996 0.326 0.000 0.000 0.000 3/30240 900.0 0.292 0.985 0.323 0.000 0.000 0.000 3/30240 910.0 0.289 0.974 0.319 0.000 0.000 0.000 3/30240 920.0 0.286 0.964 0.316 0.000 0.000 0.000 3/30240 930.0 0.283 0.954 0.312 0.000 0.000 0.000 3/30240 940.0 0.280 0.944 0.309 0.000 0.000 0.000 3/30240 950.0 0.277 0.935 0.306 0.000 0.000 0.000 3/30240 960.0 0.274 0.925 0.303 0.000 0.000 0.000 3/30240 970.0 0.271 0.916 0.300 0.000 0.000 0.000 3/30240 980.0 0.269 0.907 0.297 0.000 0.000 0.000 3/30240 990.0 0.266 0.898 0.294 0.000 0.000 0.000 3/30240 1000.0 0.263 0.890 0.291 0.000 0.000 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m4145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:00:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|