----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:38:34]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.570960200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.726279295000000 3.240264160000000 c 0.000000000000000 -5.726279295000000 3.240264160000000 Atomic positions (fractional): *1 K 0.75000000000000 0.26997565421602 0.10744079075031 39.098 2 K 0.25000000000000 0.10744079075031 0.26997565421602 39.098 *3 Ca 0.00000000000000 0.71845111880852 0.71845111880852 40.078 *4 Ca 0.47111560802023 0.29114858641671 0.86391238025405 40.078 *5 Ca 0.25000000000000 0.60087763017834 0.29307303693018 40.078 6 Ca 0.52888439197977 0.86391238025405 0.29114858641671 40.078 7 Ca 0.97111560802023 0.86391238025405 0.29114858641671 40.078 8 Ca 0.75000000000000 0.29307303693018 0.60087763017834 40.078 9 Ca 0.50000000000000 0.71845111880852 0.71845111880852 40.078 10 Ca 0.02888439197977 0.29114858641671 0.86391238025405 40.078 *11 B 0.75000000000000 0.69637457044296 0.04291475332517 10.811 *12 B 0.75000000000000 0.86475900312780 0.62318224083642 10.811 *13 B 0.00000000000000 0.29130949544135 0.29130949544135 10.811 14 B 0.50000000000000 0.29130949544135 0.29130949544135 10.811 15 B 0.25000000000000 0.04291475332517 0.69637457044296 10.811 16 B 0.25000000000000 0.62318224083642 0.86475900312780 10.811 *17 O 0.36330807708100 0.65795680633534 0.98994670975741 15.999 *18 O 0.25000000000000 0.57113479486574 0.63498624958215 15.999 *19 O 0.52623933511973 0.29510188123125 0.50016058007926 15.999 *20 O 0.00000000000000 0.07934423402955 0.07934423402955 15.999 21 O 0.97376066488027 0.29510188123125 0.50016058007926 15.999 *22 O 0.36293175340727 0.95486817613683 0.57173657119272 15.999 23 O 0.02623933511973 0.50016058007926 0.29510188123125 15.999 *24 O 0.25000000000000 0.22533535305980 0.92847280331947 15.999 25 O 0.63706824659273 0.57173657119271 0.95486817613683 15.999 26 O 0.13706824659273 0.95486817613683 0.57173657119272 15.999 27 O 0.63669192291900 0.98994670975741 0.65795680633534 15.999 28 O 0.86330807708100 0.98994670975741 0.65795680633534 15.999 29 O 0.86293175340727 0.57173657119271 0.95486817613683 15.999 30 O 0.75000000000000 0.63498624958215 0.57113479486574 15.999 31 O 0.47376066488027 0.50016058007926 0.29510188123125 15.999 32 O 0.50000000000000 0.07934423402955 0.07934423402955 15.999 33 O 0.13669192291900 0.65795680633534 0.98994670975741 15.999 34 O 0.75000000000000 0.92847280331947 0.22533535305980 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.570960200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.452558590000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.480528320000000 Atomic positions (fractional): *1 K 0.75000000000000 0.08126743173286 0.18870822248317 39.098 > 1 2 K 0.25000000000000 0.41873256826714 0.68870822248317 39.098 > 2 3 K 0.75000000000000 0.58126743173286 0.68870822248317 39.098 > 1 4 K 0.25000000000000 0.91873256826714 0.18870822248317 39.098 > 2 *5 Ca 0.00000000000000 0.00000000000000 0.71845111880852 40.078 > 3 *6 Ca 0.47111560802023 0.21361810308133 0.07753048333538 40.078 > 4 *7 Ca 0.25000000000000 0.15390229662408 0.44697533355426 40.078 > 5 8 Ca 0.52888439197977 0.28638189691867 0.57753048333538 40.078 > 6 9 Ca 0.97111560802023 0.28638189691867 0.57753048333538 40.078 > 7 10 Ca 0.75000000000000 0.34609770337592 0.94697533355426 40.078 > 8 11 Ca 0.50000000000000 0.00000000000000 0.71845111880852 40.078 > 9 12 Ca 0.02888439197977 0.21361810308133 0.07753048333538 40.078 > 10 13 Ca 0.00000000000000 0.50000000000000 0.21845111880852 40.078 > 3 14 Ca 0.47111560802023 0.71361810308133 0.57753048333538 40.078 > 4 15 Ca 0.25000000000000 0.65390229662408 0.94697533355426 40.078 > 5 16 Ca 0.52888439197977 0.78638189691867 0.07753048333538 40.078 > 6 17 Ca 0.97111560802023 0.78638189691867 0.07753048333538 40.078 > 7 18 Ca 0.75000000000000 0.84609770337592 0.44697533355426 40.078 > 8 19 Ca 0.50000000000000 0.50000000000000 0.21845111880852 40.078 > 9 20 Ca 0.02888439197977 0.71361810308133 0.57753048333538 40.078 > 10 *21 B 0.75000000000000 0.32672990855889 0.36964466188407 10.811 > 11 *22 B 0.75000000000000 0.12078838114569 0.74397062198211 10.811 > 12 *23 B 0.00000000000000 0.00000000000000 0.29130949544135 10.811 > 13 24 B 0.50000000000000 0.00000000000000 0.29130949544135 10.811 > 14 25 B 0.25000000000000 0.17327009144111 0.86964466188407 10.811 > 15 26 B 0.25000000000000 0.37921161885431 0.24397062198211 10.811 > 16 27 B 0.75000000000000 0.82672990855889 0.86964466188407 10.811 > 11 28 B 0.75000000000000 0.62078838114569 0.24397062198211 10.811 > 12 29 B 0.00000000000000 0.50000000000000 0.79130949544135 10.811 > 13 30 B 0.50000000000000 0.50000000000000 0.79130949544135 10.811 > 14 31 B 0.25000000000000 0.67327009144111 0.36964466188407 10.811 > 15 32 B 0.25000000000000 0.87921161885431 0.74397062198211 10.811 > 16 *33 O 0.36330807708100 0.33400504828896 0.32395175804637 15.999 > 17 *34 O 0.25000000000000 0.46807427264180 0.10306052222395 15.999 > 18 *35 O 0.52623933511973 0.39747065057599 0.89763123065525 15.999 > 19 *36 O 0.00000000000000 0.00000000000000 0.07934423402955 15.999 > 20 37 O 0.97376066488027 0.39747065057599 0.89763123065525 15.999 > 21 *38 O 0.36293175340727 0.19156580247206 0.76330237366477 15.999 > 22 39 O 0.02623933511973 0.10252934942401 0.39763123065526 15.999 > 23 *40 O 0.25000000000000 0.14843127487016 0.07690407818963 15.999 > 24 41 O 0.63706824659273 0.30843419752794 0.26330237366477 15.999 > 25 42 O 0.13706824659273 0.19156580247206 0.76330237366477 15.999 > 26 43 O 0.63669192291900 0.16599495171104 0.82395175804637 15.999 > 27 44 O 0.86330807708100 0.16599495171104 0.82395175804637 15.999 > 28 45 O 0.86293175340727 0.30843419752794 0.26330237366477 15.999 > 29 46 O 0.75000000000000 0.03192572735820 0.60306052222395 15.999 > 30 47 O 0.47376066488027 0.10252934942401 0.39763123065526 15.999 > 31 48 O 0.50000000000000 0.00000000000000 0.07934423402955 15.999 > 32 49 O 0.13669192291900 0.33400504828896 0.32395175804637 15.999 > 33 50 O 0.75000000000000 0.35156872512984 0.57690407818963 15.999 > 34 51 O 0.36330807708100 0.83400504828896 0.82395175804637 15.999 > 17 52 O 0.25000000000000 0.96807427264180 0.60306052222395 15.999 > 18 53 O 0.52623933511973 0.89747065057599 0.39763123065526 15.999 > 19 54 O 0.00000000000000 0.50000000000000 0.57934423402955 15.999 > 20 55 O 0.97376066488027 0.89747065057599 0.39763123065526 15.999 > 21 56 O 0.36293175340727 0.69156580247206 0.26330237366477 15.999 > 22 57 O 0.02623933511973 0.60252934942401 0.89763123065525 15.999 > 23 58 O 0.25000000000000 0.64843127487017 0.57690407818963 15.999 > 24 59 O 0.63706824659273 0.80843419752794 0.76330237366477 15.999 > 25 60 O 0.13706824659273 0.69156580247206 0.26330237366477 15.999 > 26 61 O 0.63669192291900 0.66599495171104 0.32395175804637 15.999 > 27 62 O 0.86330807708100 0.66599495171104 0.32395175804637 15.999 > 28 63 O 0.86293175340727 0.80843419752794 0.76330237366477 15.999 > 29 64 O 0.75000000000000 0.53192572735820 0.10306052222395 15.999 > 30 65 O 0.47376066488027 0.60252934942401 0.89763123065525 15.999 > 31 66 O 0.50000000000000 0.50000000000000 0.57934423402955 15.999 > 32 67 O 0.13669192291900 0.83400504828896 0.82395175804637 15.999 > 33 68 O 0.75000000000000 0.85156872512983 0.07690407818963 15.999 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.570960200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.452558590000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.961056640000001 Atomic positions (fractional): *1 K 0.75000000000000 0.08126743173286 0.09435411124158 39.098 > 1 2 K 0.75000000000000 0.08126743173286 0.59435411124158 39.098 > 1 3 K 0.25000000000000 0.41873256826714 0.34435411124158 39.098 > 2 4 K 0.25000000000000 0.41873256826714 0.84435411124158 39.098 > 2 5 K 0.75000000000000 0.58126743173286 0.34435411124158 39.098 > 1 6 K 0.75000000000000 0.58126743173286 0.84435411124158 39.098 > 1 7 K 0.25000000000000 0.91873256826714 0.09435411124158 39.098 > 2 8 K 0.25000000000000 0.91873256826714 0.59435411124158 39.098 > 2 *9 Ca 0.00000000000000 0.00000000000000 0.35922555940426 40.078 > 3 10 Ca 0.00000000000000 0.00000000000000 0.85922555940426 40.078 > 3 *11 Ca 0.47111560802023 0.21361810308133 0.03876524166769 40.078 > 4 12 Ca 0.47111560802023 0.21361810308133 0.53876524166769 40.078 > 4 *13 Ca 0.25000000000000 0.15390229662408 0.22348766677713 40.078 > 5 14 Ca 0.25000000000000 0.15390229662408 0.72348766677713 40.078 > 5 15 Ca 0.52888439197977 0.28638189691867 0.28876524166769 40.078 > 6 16 Ca 0.52888439197977 0.28638189691867 0.78876524166769 40.078 > 6 17 Ca 0.97111560802023 0.28638189691867 0.28876524166769 40.078 > 7 18 Ca 0.97111560802023 0.28638189691867 0.78876524166769 40.078 > 7 19 Ca 0.75000000000000 0.34609770337592 0.47348766677713 40.078 > 8 20 Ca 0.75000000000000 0.34609770337592 0.97348766677713 40.078 > 8 21 Ca 0.50000000000000 0.00000000000000 0.35922555940426 40.078 > 9 22 Ca 0.50000000000000 0.00000000000000 0.85922555940426 40.078 > 9 23 Ca 0.02888439197977 0.21361810308133 0.03876524166769 40.078 > 10 24 Ca 0.02888439197977 0.21361810308133 0.53876524166769 40.078 > 10 25 Ca 0.00000000000000 0.50000000000000 0.10922555940426 40.078 > 3 26 Ca 0.00000000000000 0.50000000000000 0.60922555940426 40.078 > 3 27 Ca 0.47111560802023 0.71361810308133 0.28876524166769 40.078 > 4 28 Ca 0.47111560802023 0.71361810308133 0.78876524166769 40.078 > 4 29 Ca 0.25000000000000 0.65390229662408 0.47348766677713 40.078 > 5 30 Ca 0.25000000000000 0.65390229662408 0.97348766677713 40.078 > 5 31 Ca 0.52888439197977 0.78638189691867 0.03876524166769 40.078 > 6 32 Ca 0.52888439197977 0.78638189691867 0.53876524166769 40.078 > 6 33 Ca 0.97111560802023 0.78638189691867 0.03876524166769 40.078 > 7 34 Ca 0.97111560802023 0.78638189691867 0.53876524166769 40.078 > 7 35 Ca 0.75000000000000 0.84609770337592 0.22348766677713 40.078 > 8 36 Ca 0.75000000000000 0.84609770337592 0.72348766677713 40.078 > 8 37 Ca 0.50000000000000 0.50000000000000 0.10922555940426 40.078 > 9 38 Ca 0.50000000000000 0.50000000000000 0.60922555940426 40.078 > 9 39 Ca 0.02888439197977 0.71361810308133 0.28876524166769 40.078 > 10 40 Ca 0.02888439197977 0.71361810308133 0.78876524166769 40.078 > 10 *41 B 0.75000000000000 0.32672990855889 0.18482233094203 10.811 > 11 42 B 0.75000000000000 0.32672990855889 0.68482233094203 10.811 > 11 *43 B 0.75000000000000 0.12078838114569 0.37198531099106 10.811 > 12 44 B 0.75000000000000 0.12078838114569 0.87198531099106 10.811 > 12 *45 B 0.00000000000000 0.00000000000000 0.14565474772068 10.811 > 13 46 B 0.00000000000000 0.00000000000000 0.64565474772068 10.811 > 13 47 B 0.50000000000000 0.00000000000000 0.14565474772068 10.811 > 14 48 B 0.50000000000000 0.00000000000000 0.64565474772068 10.811 > 14 49 B 0.25000000000000 0.17327009144111 0.43482233094203 10.811 > 15 50 B 0.25000000000000 0.17327009144111 0.93482233094203 10.811 > 15 51 B 0.25000000000000 0.37921161885431 0.12198531099106 10.811 > 16 52 B 0.25000000000000 0.37921161885431 0.62198531099106 10.811 > 16 53 B 0.75000000000000 0.82672990855889 0.43482233094203 10.811 > 11 54 B 0.75000000000000 0.82672990855889 0.93482233094203 10.811 > 11 55 B 0.75000000000000 0.62078838114569 0.12198531099106 10.811 > 12 56 B 0.75000000000000 0.62078838114569 0.62198531099106 10.811 > 12 57 B 0.00000000000000 0.50000000000000 0.39565474772068 10.811 > 13 58 B 0.00000000000000 0.50000000000000 0.89565474772068 10.811 > 13 59 B 0.50000000000000 0.50000000000000 0.39565474772068 10.811 > 14 60 B 0.50000000000000 0.50000000000000 0.89565474772068 10.811 > 14 61 B 0.25000000000000 0.67327009144111 0.18482233094203 10.811 > 15 62 B 0.25000000000000 0.67327009144111 0.68482233094203 10.811 > 15 63 B 0.25000000000000 0.87921161885431 0.37198531099106 10.811 > 16 64 B 0.25000000000000 0.87921161885431 0.87198531099106 10.811 > 16 *65 O 0.36330807708100 0.33400504828896 0.16197587902319 15.999 > 17 66 O 0.36330807708100 0.33400504828896 0.66197587902319 15.999 > 17 *67 O 0.25000000000000 0.46807427264180 0.05153026111197 15.999 > 18 68 O 0.25000000000000 0.46807427264180 0.55153026111197 15.999 > 18 *69 O 0.52623933511973 0.39747065057599 0.44881561532763 15.999 > 19 70 O 0.52623933511973 0.39747065057599 0.94881561532763 15.999 > 19 *71 O 0.00000000000000 0.00000000000000 0.03967211701477 15.999 > 20 72 O 0.00000000000000 0.00000000000000 0.53967211701477 15.999 > 20 73 O 0.97376066488027 0.39747065057599 0.44881561532763 15.999 > 21 74 O 0.97376066488027 0.39747065057599 0.94881561532763 15.999 > 21 *75 O 0.36293175340727 0.19156580247206 0.38165118683239 15.999 > 22 76 O 0.36293175340727 0.19156580247206 0.88165118683239 15.999 > 22 77 O 0.02623933511973 0.10252934942401 0.19881561532763 15.999 > 23 78 O 0.02623933511973 0.10252934942401 0.69881561532763 15.999 > 23 *79 O 0.25000000000000 0.14843127487016 0.03845203909482 15.999 > 24 80 O 0.25000000000000 0.14843127487016 0.53845203909482 15.999 > 24 81 O 0.63706824659273 0.30843419752794 0.13165118683239 15.999 > 25 82 O 0.63706824659273 0.30843419752794 0.63165118683239 15.999 > 25 83 O 0.13706824659273 0.19156580247206 0.38165118683239 15.999 > 26 84 O 0.13706824659273 0.19156580247206 0.88165118683239 15.999 > 26 85 O 0.63669192291900 0.16599495171104 0.41197587902319 15.999 > 27 86 O 0.63669192291900 0.16599495171104 0.91197587902319 15.999 > 27 87 O 0.86330807708100 0.16599495171104 0.41197587902319 15.999 > 28 88 O 0.86330807708100 0.16599495171104 0.91197587902319 15.999 > 28 89 O 0.86293175340727 0.30843419752794 0.13165118683239 15.999 > 29 90 O 0.86293175340727 0.30843419752794 0.63165118683239 15.999 > 29 91 O 0.75000000000000 0.03192572735820 0.30153026111197 15.999 > 30 92 O 0.75000000000000 0.03192572735820 0.80153026111197 15.999 > 30 93 O 0.47376066488027 0.10252934942401 0.19881561532763 15.999 > 31 94 O 0.47376066488027 0.10252934942401 0.69881561532763 15.999 > 31 95 O 0.50000000000000 0.00000000000000 0.03967211701477 15.999 > 32 96 O 0.50000000000000 0.00000000000000 0.53967211701477 15.999 > 32 97 O 0.13669192291900 0.33400504828896 0.16197587902319 15.999 > 33 98 O 0.13669192291900 0.33400504828896 0.66197587902319 15.999 > 33 99 O 0.75000000000000 0.35156872512984 0.28845203909482 15.999 > 34 100 O 0.75000000000000 0.35156872512984 0.78845203909482 15.999 > 34 101 O 0.36330807708100 0.83400504828896 0.41197587902319 15.999 > 17 102 O 0.36330807708100 0.83400504828896 0.91197587902319 15.999 > 17 103 O 0.25000000000000 0.96807427264180 0.30153026111197 15.999 > 18 104 O 0.25000000000000 0.96807427264180 0.80153026111197 15.999 > 18 105 O 0.52623933511973 0.89747065057599 0.19881561532763 15.999 > 19 106 O 0.52623933511973 0.89747065057599 0.69881561532763 15.999 > 19 107 O 0.00000000000000 0.50000000000000 0.28967211701477 15.999 > 20 108 O 0.00000000000000 0.50000000000000 0.78967211701477 15.999 > 20 109 O 0.97376066488027 0.89747065057599 0.19881561532763 15.999 > 21 110 O 0.97376066488027 0.89747065057599 0.69881561532763 15.999 > 21 111 O 0.36293175340727 0.69156580247206 0.13165118683239 15.999 > 22 112 O 0.36293175340727 0.69156580247206 0.63165118683239 15.999 > 22 113 O 0.02623933511973 0.60252934942401 0.44881561532763 15.999 > 23 114 O 0.02623933511973 0.60252934942401 0.94881561532763 15.999 > 23 115 O 0.25000000000000 0.64843127487017 0.28845203909482 15.999 > 24 116 O 0.25000000000000 0.64843127487017 0.78845203909482 15.999 > 24 117 O 0.63706824659273 0.80843419752794 0.38165118683239 15.999 > 25 118 O 0.63706824659273 0.80843419752794 0.88165118683239 15.999 > 25 119 O 0.13706824659273 0.69156580247206 0.13165118683239 15.999 > 26 120 O 0.13706824659273 0.69156580247206 0.63165118683239 15.999 > 26 121 O 0.63669192291900 0.66599495171104 0.16197587902319 15.999 > 27 122 O 0.63669192291900 0.66599495171104 0.66197587902319 15.999 > 27 123 O 0.86330807708100 0.66599495171104 0.16197587902319 15.999 > 28 124 O 0.86330807708100 0.66599495171104 0.66197587902319 15.999 > 28 125 O 0.86293175340727 0.80843419752794 0.38165118683239 15.999 > 29 126 O 0.86293175340727 0.80843419752794 0.88165118683239 15.999 > 29 127 O 0.75000000000000 0.53192572735820 0.05153026111197 15.999 > 30 128 O 0.75000000000000 0.53192572735820 0.55153026111197 15.999 > 30 129 O 0.47376066488027 0.60252934942401 0.44881561532763 15.999 > 31 130 O 0.47376066488027 0.60252934942401 0.94881561532763 15.999 > 31 131 O 0.50000000000000 0.50000000000000 0.28967211701477 15.999 > 32 132 O 0.50000000000000 0.50000000000000 0.78967211701477 15.999 > 32 133 O 0.13669192291900 0.83400504828896 0.41197587902319 15.999 > 33 134 O 0.13669192291900 0.83400504828896 0.91197587902319 15.999 > 33 135 O 0.75000000000000 0.85156872512983 0.03845203909482 15.999 > 34 136 O 0.75000000000000 0.85156872512983 0.53845203909482 15.999 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1897294 0.0000000 0.0000000 0.0000000 3.1699312 0.0000000 0.0000000 0.0000000 3.3266802 -------------------------- Born effective charges -------------------------- 1 K 1.1823983 0.0000000 0.0000000 0.0000000 1.1947454 0.0186166 0.0000000 0.0161192 1.2330490 2 K 1.1823983 0.0000000 0.0000000 0.0000000 1.1947454 -0.0186166 0.0000000 -0.0161192 1.2330490 3 Ca 2.4339832 -0.0645200 0.0000000 -0.1493692 2.3086437 -0.0000000 0.0000000 0.0000000 2.6654413 4 Ca 2.4946611 0.0847274 -0.0022527 0.0620108 2.4582103 0.0035820 0.0323528 -0.0021223 2.4396342 5 Ca 2.2704090 0.0000000 0.0000000 0.0000000 2.4221583 -0.2942578 0.0000000 -0.3034400 2.7425127 6 Ca 2.4946611 0.0847274 0.0022527 0.0620108 2.4582103 -0.0035820 -0.0323528 0.0021223 2.4396342 7 Ca 2.4946611 -0.0847274 -0.0022527 -0.0620108 2.4582103 -0.0035820 0.0323528 0.0021223 2.4396342 8 Ca 2.2704090 0.0000000 0.0000000 0.0000000 2.4221583 0.2942578 0.0000000 0.3034400 2.7425127 9 Ca 2.4339832 0.0645200 0.0000000 0.1493692 2.3086437 -0.0000000 0.0000000 0.0000000 2.6654413 10 Ca 2.4946611 -0.0847274 0.0022527 -0.0620108 2.4582103 0.0035820 -0.0323528 -0.0021223 2.4396342 11 B 2.5666829 0.0000000 0.0000000 0.0000000 0.6388305 0.2976876 0.0000000 0.4285856 2.6555937 12 B 2.5732433 0.0000000 0.0000000 0.0000000 1.8682928 1.1775033 0.0000000 1.0432201 1.4406027 13 B 0.5613530 0.6143110 0.0000000 0.5176190 2.4678877 -0.0000000 0.0000000 0.0000000 2.6562269 14 B 0.5613530 -0.6143110 0.0000000 -0.5176190 2.4678877 -0.0000000 0.0000000 0.0000000 2.6562269 15 B 2.5666829 0.0000000 0.0000000 0.0000000 0.6388305 -0.2976876 0.0000000 -0.4285856 2.6555937 16 B 2.5732433 0.0000000 0.0000000 0.0000000 1.8682928 -1.1775033 0.0000000 -1.0432201 1.4406027 17 O -2.3760706 0.2771788 -0.2620045 0.2713319 -1.7466955 0.2968728 -0.2916511 0.2321870 -1.6090157 18 O -1.5639140 0.0000000 0.0000000 0.0000000 -2.1847452 0.7773726 0.0000000 0.7434426 -1.7840578 19 O -1.3516920 0.3085890 -0.1102814 0.2705557 -2.2919690 0.3111393 -0.1055280 0.3141835 -1.9938958 20 O -1.1084597 -0.0983193 0.0000000 -0.0910940 -1.7263950 -0.0000000 0.0000000 0.0000000 -2.6542163 21 O -1.3516920 -0.3085890 0.1102814 -0.2705557 -2.2919690 0.3111393 0.1055280 0.3141835 -1.9938958 22 O -2.3821921 -0.1814950 0.3151204 -0.1790502 -1.3043023 0.0622880 0.3229517 0.1257089 -2.0150508 23 O -1.3516920 -0.3085890 -0.1102814 -0.2705557 -2.2919690 -0.3111393 -0.1055280 -0.3141835 -1.9938958 24 O -1.6851085 0.0000000 0.0000000 0.0000000 -1.2199050 0.2035729 0.0000000 0.2550441 -2.5984961 25 O -2.3821921 -0.1814950 -0.3151204 -0.1790502 -1.3043023 -0.0622880 -0.3229517 -0.1257089 -2.0150508 26 O -2.3821921 0.1814950 -0.3151204 0.1790502 -1.3043023 0.0622880 -0.3229517 0.1257089 -2.0150508 27 O -2.3760706 0.2771788 0.2620045 0.2713319 -1.7466955 -0.2968728 0.2916511 -0.2321870 -1.6090157 28 O -2.3760706 -0.2771788 -0.2620045 -0.2713319 -1.7466955 -0.2968728 -0.2916511 -0.2321870 -1.6090157 29 O -2.3821921 0.1814950 0.3151204 0.1790502 -1.3043023 -0.0622880 0.3229517 -0.1257089 -2.0150508 30 O -1.5639140 0.0000000 0.0000000 0.0000000 -2.1847452 -0.7773726 0.0000000 -0.7434426 -1.7840578 31 O -1.3516920 0.3085890 0.1102814 0.2705557 -2.2919690 -0.3111393 0.1055280 -0.3141835 -1.9938958 32 O -1.1084597 0.0983193 0.0000000 0.0910940 -1.7263950 -0.0000000 0.0000000 0.0000000 -2.6542163 33 O -2.3760706 -0.2771788 0.2620045 -0.2713319 -1.7466955 0.2968728 0.2916511 0.2321870 -1.6090157 34 O -1.6851085 0.0000000 0.0000000 0.0000000 -1.2199050 -0.2035729 0.0000000 -0.2550441 -2.5984961 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 24762/24762 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5394 Number of blocks in projector: 5394 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: 1264 Use submatrix version of eigh solver. (1) Block: 500 / 1264 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1264 (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: 1264 / 1264 (1) 246 eigenvectors found. (1) Complementary block size: 56 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1048 Use submatrix version of eigh solver. (1) Block: 500 / 1048 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1048 / 1048 (2) Block: 250 / 548 (2) 236 eigenvectors found. (2) Block: 548 / 548 (2) 286 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 534 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 976 Use submatrix version of eigh solver. (1) Block: 500 / 976 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 976 / 976 (1) 468 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5394, 5313), data: False |-- (702, 689), data: False |-- (702, 9), data: (702, 22) @ (22, 9) |-- (202, 193), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (702, 689), data: False |-- (702, 9), data: (702, 22) @ (22, 9) |-- (202, 193), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (702, 689), data: False |-- (702, 9), data: (702, 22) @ (22, 9) |-- (202, 193), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (976, 968), data: False |-- (976, 8), data: (976, 16) @ (16, 8) |-- (476, 468), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (1048, 1034), data: False |-- (1048, 14), data: (1048, 28) @ (28, 14) |-- (548, 534), data: False |-- (548, 12), data: (548, 26) @ (26, 12) |-- (298, 286), data: True |-- (250, 236), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (1264, 1244), data: False |-- (1264, 36), data: (1264, 56) @ (56, 36) |-- (264, 246), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (500, 480), data: False |-- (500, 12), data: (500, 32) @ (32, 12) |-- (250, 230), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 2.355 Solver_block: 200 / 1040 - Time: 1.662 Solver_block: 300 / 1040 - Time: 1.569 Solver_block: 400 / 1040 - Time: 1.600 Solver_block: 500 / 1040 - Time: 1.739 Solver_block: 600 / 1040 - Time: 2.517 Solver_block: 700 / 1040 - Time: 2.165 Solver_block: 800 / 1040 - Time: 2.365 Solver_block: 900 / 1040 - Time: 2.307 Solver_block: 1000 / 1040 - Time: 2.162 Solver_block: 1040 / 1040 - Time: 0.988 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 22.503 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 408/408 Permutation basis: 24762/24762 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5394 Number of blocks in projector: 5394 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: 1264 Use submatrix version of eigh solver. (1) Block: 500 / 1264 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1264 (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: 1264 / 1264 (1) 246 eigenvectors found. (1) Complementary block size: 56 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1048 Use submatrix version of eigh solver. (1) Block: 500 / 1048 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1048 / 1048 (2) Block: 250 / 548 (2) 236 eigenvectors found. (2) Block: 548 / 548 (2) 286 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 534 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 976 Use submatrix version of eigh solver. (1) Block: 500 / 976 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 976 / 976 (1) 468 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5394, 5313), data: False |-- (702, 689), data: False |-- (702, 9), data: (702, 22) @ (22, 9) |-- (202, 193), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (702, 689), data: False |-- (702, 9), data: (702, 22) @ (22, 9) |-- (202, 193), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (702, 689), data: False |-- (702, 9), data: (702, 22) @ (22, 9) |-- (202, 193), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (976, 968), data: False |-- (976, 8), data: (976, 16) @ (16, 8) |-- (476, 468), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (1048, 1034), data: False |-- (1048, 14), data: (1048, 28) @ (28, 14) |-- (548, 534), data: False |-- (548, 12), data: (548, 26) @ (26, 12) |-- (298, 286), data: True |-- (250, 236), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (1264, 1244), data: False |-- (1264, 36), data: (1264, 56) @ (56, 36) |-- (264, 246), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (500, 480), data: False |-- (500, 12), data: (500, 32) @ (32, 12) |-- (250, 230), data: True |-- (250, 238), 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 11:40:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:40:16]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.570960200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.726279295000000 3.240264160000000 c 0.000000000000000 -5.726279295000000 3.240264160000000 Atomic positions (fractional): 1 K 0.75000000000000 0.26997565421602 0.10744079075031 39.098 2 K 0.25000000000000 0.10744079075031 0.26997565421602 39.098 3 Ca 0.00000000000000 0.71845111880852 0.71845111880852 40.078 4 Ca 0.47111560802023 0.29114858641671 0.86391238025405 40.078 5 Ca 0.25000000000000 0.60087763017834 0.29307303693018 40.078 6 Ca 0.52888439197977 0.86391238025405 0.29114858641671 40.078 7 Ca 0.97111560802023 0.86391238025405 0.29114858641671 40.078 8 Ca 0.75000000000000 0.29307303693018 0.60087763017834 40.078 9 Ca 0.50000000000000 0.71845111880852 0.71845111880852 40.078 10 Ca 0.02888439197977 0.29114858641671 0.86391238025405 40.078 11 B 0.75000000000000 0.69637457044296 0.04291475332517 10.811 12 B 0.75000000000000 0.86475900312780 0.62318224083642 10.811 13 B 0.00000000000000 0.29130949544135 0.29130949544135 10.811 14 B 0.50000000000000 0.29130949544135 0.29130949544135 10.811 15 B 0.25000000000000 0.04291475332517 0.69637457044296 10.811 16 B 0.25000000000000 0.62318224083642 0.86475900312780 10.811 17 O 0.36330807708100 0.65795680633534 0.98994670975741 15.999 18 O 0.25000000000000 0.57113479486574 0.63498624958215 15.999 19 O 0.52623933511973 0.29510188123125 0.50016058007926 15.999 20 O 0.00000000000000 0.07934423402955 0.07934423402955 15.999 21 O 0.97376066488027 0.29510188123125 0.50016058007926 15.999 22 O 0.36293175340727 0.95486817613683 0.57173657119272 15.999 23 O 0.02623933511973 0.50016058007926 0.29510188123125 15.999 24 O 0.25000000000000 0.22533535305980 0.92847280331947 15.999 25 O 0.63706824659273 0.57173657119271 0.95486817613683 15.999 26 O 0.13706824659273 0.95486817613683 0.57173657119272 15.999 27 O 0.63669192291900 0.98994670975741 0.65795680633534 15.999 28 O 0.86330807708100 0.98994670975741 0.65795680633534 15.999 29 O 0.86293175340727 0.57173657119271 0.95486817613683 15.999 30 O 0.75000000000000 0.63498624958215 0.57113479486574 15.999 31 O 0.47376066488027 0.50016058007926 0.29510188123125 15.999 32 O 0.50000000000000 0.07934423402955 0.07934423402955 15.999 33 O 0.13669192291900 0.65795680633534 0.98994670975741 15.999 34 O 0.75000000000000 0.92847280331947 0.22533535305980 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.570960200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.452558590000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.961056640000001 Atomic positions (fractional): 1 K 0.75000000000000 0.08126743173286 0.09435411124158 39.098 > 1 2 K 0.75000000000000 0.08126743173286 0.59435411124158 39.098 > 1 3 K 0.25000000000000 0.41873256826714 0.34435411124158 39.098 > 3 4 K 0.25000000000000 0.41873256826714 0.84435411124158 39.098 > 3 5 K 0.75000000000000 0.58126743173286 0.34435411124158 39.098 > 1 6 K 0.75000000000000 0.58126743173286 0.84435411124158 39.098 > 1 7 K 0.25000000000000 0.91873256826714 0.09435411124158 39.098 > 3 8 K 0.25000000000000 0.91873256826714 0.59435411124158 39.098 > 3 9 Ca 0.00000000000000 0.00000000000000 0.35922555940426 40.078 > 9 10 Ca 0.00000000000000 0.00000000000000 0.85922555940426 40.078 > 9 11 Ca 0.47111560802023 0.21361810308133 0.03876524166769 40.078 > 11 12 Ca 0.47111560802023 0.21361810308133 0.53876524166769 40.078 > 11 13 Ca 0.25000000000000 0.15390229662408 0.22348766677713 40.078 > 13 14 Ca 0.25000000000000 0.15390229662408 0.72348766677713 40.078 > 13 15 Ca 0.52888439197977 0.28638189691867 0.28876524166769 40.078 > 15 16 Ca 0.52888439197977 0.28638189691867 0.78876524166769 40.078 > 15 17 Ca 0.97111560802023 0.28638189691867 0.28876524166769 40.078 > 17 18 Ca 0.97111560802023 0.28638189691867 0.78876524166769 40.078 > 17 19 Ca 0.75000000000000 0.34609770337592 0.47348766677713 40.078 > 19 20 Ca 0.75000000000000 0.34609770337592 0.97348766677713 40.078 > 19 21 Ca 0.50000000000000 0.00000000000000 0.35922555940426 40.078 > 21 22 Ca 0.50000000000000 0.00000000000000 0.85922555940426 40.078 > 21 23 Ca 0.02888439197977 0.21361810308133 0.03876524166769 40.078 > 23 24 Ca 0.02888439197977 0.21361810308133 0.53876524166769 40.078 > 23 25 Ca 0.00000000000000 0.50000000000000 0.10922555940426 40.078 > 9 26 Ca 0.00000000000000 0.50000000000000 0.60922555940426 40.078 > 9 27 Ca 0.47111560802023 0.71361810308133 0.28876524166769 40.078 > 11 28 Ca 0.47111560802023 0.71361810308133 0.78876524166769 40.078 > 11 29 Ca 0.25000000000000 0.65390229662408 0.47348766677713 40.078 > 13 30 Ca 0.25000000000000 0.65390229662408 0.97348766677713 40.078 > 13 31 Ca 0.52888439197977 0.78638189691867 0.03876524166769 40.078 > 15 32 Ca 0.52888439197977 0.78638189691867 0.53876524166769 40.078 > 15 33 Ca 0.97111560802023 0.78638189691867 0.03876524166769 40.078 > 17 34 Ca 0.97111560802023 0.78638189691867 0.53876524166769 40.078 > 17 35 Ca 0.75000000000000 0.84609770337592 0.22348766677713 40.078 > 19 36 Ca 0.75000000000000 0.84609770337592 0.72348766677713 40.078 > 19 37 Ca 0.50000000000000 0.50000000000000 0.10922555940426 40.078 > 21 38 Ca 0.50000000000000 0.50000000000000 0.60922555940426 40.078 > 21 39 Ca 0.02888439197977 0.71361810308133 0.28876524166769 40.078 > 23 40 Ca 0.02888439197977 0.71361810308133 0.78876524166769 40.078 > 23 41 B 0.75000000000000 0.32672990855889 0.18482233094203 10.811 > 41 42 B 0.75000000000000 0.32672990855889 0.68482233094203 10.811 > 41 43 B 0.75000000000000 0.12078838114569 0.37198531099106 10.811 > 43 44 B 0.75000000000000 0.12078838114569 0.87198531099106 10.811 > 43 45 B 0.00000000000000 0.00000000000000 0.14565474772068 10.811 > 45 46 B 0.00000000000000 0.00000000000000 0.64565474772068 10.811 > 45 47 B 0.50000000000000 0.00000000000000 0.14565474772068 10.811 > 47 48 B 0.50000000000000 0.00000000000000 0.64565474772068 10.811 > 47 49 B 0.25000000000000 0.17327009144111 0.43482233094203 10.811 > 49 50 B 0.25000000000000 0.17327009144111 0.93482233094203 10.811 > 49 51 B 0.25000000000000 0.37921161885431 0.12198531099106 10.811 > 51 52 B 0.25000000000000 0.37921161885431 0.62198531099106 10.811 > 51 53 B 0.75000000000000 0.82672990855889 0.43482233094203 10.811 > 41 54 B 0.75000000000000 0.82672990855889 0.93482233094203 10.811 > 41 55 B 0.75000000000000 0.62078838114569 0.12198531099106 10.811 > 43 56 B 0.75000000000000 0.62078838114569 0.62198531099106 10.811 > 43 57 B 0.00000000000000 0.50000000000000 0.39565474772068 10.811 > 45 58 B 0.00000000000000 0.50000000000000 0.89565474772068 10.811 > 45 59 B 0.50000000000000 0.50000000000000 0.39565474772068 10.811 > 47 60 B 0.50000000000000 0.50000000000000 0.89565474772068 10.811 > 47 61 B 0.25000000000000 0.67327009144111 0.18482233094203 10.811 > 49 62 B 0.25000000000000 0.67327009144111 0.68482233094203 10.811 > 49 63 B 0.25000000000000 0.87921161885431 0.37198531099106 10.811 > 51 64 B 0.25000000000000 0.87921161885431 0.87198531099106 10.811 > 51 65 O 0.36330807708100 0.33400504828896 0.16197587902319 15.999 > 65 66 O 0.36330807708100 0.33400504828896 0.66197587902319 15.999 > 65 67 O 0.25000000000000 0.46807427264180 0.05153026111197 15.999 > 67 68 O 0.25000000000000 0.46807427264180 0.55153026111197 15.999 > 67 69 O 0.52623933511973 0.39747065057599 0.44881561532763 15.999 > 69 70 O 0.52623933511973 0.39747065057599 0.94881561532763 15.999 > 69 71 O 0.00000000000000 0.00000000000000 0.03967211701477 15.999 > 71 72 O 0.00000000000000 0.00000000000000 0.53967211701477 15.999 > 71 73 O 0.97376066488027 0.39747065057599 0.44881561532763 15.999 > 73 74 O 0.97376066488027 0.39747065057599 0.94881561532763 15.999 > 73 75 O 0.36293175340727 0.19156580247206 0.38165118683239 15.999 > 75 76 O 0.36293175340727 0.19156580247206 0.88165118683239 15.999 > 75 77 O 0.02623933511973 0.10252934942401 0.19881561532763 15.999 > 77 78 O 0.02623933511973 0.10252934942401 0.69881561532763 15.999 > 77 79 O 0.25000000000000 0.14843127487016 0.03845203909482 15.999 > 79 80 O 0.25000000000000 0.14843127487016 0.53845203909482 15.999 > 79 81 O 0.63706824659273 0.30843419752794 0.13165118683239 15.999 > 81 82 O 0.63706824659273 0.30843419752794 0.63165118683239 15.999 > 81 83 O 0.13706824659273 0.19156580247206 0.38165118683239 15.999 > 83 84 O 0.13706824659273 0.19156580247206 0.88165118683239 15.999 > 83 85 O 0.63669192291900 0.16599495171104 0.41197587902319 15.999 > 85 86 O 0.63669192291900 0.16599495171104 0.91197587902319 15.999 > 85 87 O 0.86330807708100 0.16599495171104 0.41197587902319 15.999 > 87 88 O 0.86330807708100 0.16599495171104 0.91197587902319 15.999 > 87 89 O 0.86293175340727 0.30843419752794 0.13165118683239 15.999 > 89 90 O 0.86293175340727 0.30843419752794 0.63165118683239 15.999 > 89 91 O 0.75000000000000 0.03192572735820 0.30153026111197 15.999 > 91 92 O 0.75000000000000 0.03192572735820 0.80153026111197 15.999 > 91 93 O 0.47376066488027 0.10252934942401 0.19881561532763 15.999 > 93 94 O 0.47376066488027 0.10252934942401 0.69881561532763 15.999 > 93 95 O 0.50000000000000 0.00000000000000 0.03967211701477 15.999 > 95 96 O 0.50000000000000 0.00000000000000 0.53967211701477 15.999 > 95 97 O 0.13669192291900 0.33400504828896 0.16197587902319 15.999 > 97 98 O 0.13669192291900 0.33400504828896 0.66197587902319 15.999 > 97 99 O 0.75000000000000 0.35156872512984 0.28845203909482 15.999 > 99 100 O 0.75000000000000 0.35156872512984 0.78845203909482 15.999 > 99 101 O 0.36330807708100 0.83400504828896 0.41197587902319 15.999 > 65 102 O 0.36330807708100 0.83400504828896 0.91197587902319 15.999 > 65 103 O 0.25000000000000 0.96807427264180 0.30153026111197 15.999 > 67 104 O 0.25000000000000 0.96807427264180 0.80153026111197 15.999 > 67 105 O 0.52623933511973 0.89747065057599 0.19881561532763 15.999 > 69 106 O 0.52623933511973 0.89747065057599 0.69881561532763 15.999 > 69 107 O 0.00000000000000 0.50000000000000 0.28967211701477 15.999 > 71 108 O 0.00000000000000 0.50000000000000 0.78967211701477 15.999 > 71 109 O 0.97376066488027 0.89747065057599 0.19881561532763 15.999 > 73 110 O 0.97376066488027 0.89747065057599 0.69881561532763 15.999 > 73 111 O 0.36293175340727 0.69156580247206 0.13165118683239 15.999 > 75 112 O 0.36293175340727 0.69156580247206 0.63165118683239 15.999 > 75 113 O 0.02623933511973 0.60252934942401 0.44881561532763 15.999 > 77 114 O 0.02623933511973 0.60252934942401 0.94881561532763 15.999 > 77 115 O 0.25000000000000 0.64843127487017 0.28845203909482 15.999 > 79 116 O 0.25000000000000 0.64843127487017 0.78845203909482 15.999 > 79 117 O 0.63706824659273 0.80843419752794 0.38165118683239 15.999 > 81 118 O 0.63706824659273 0.80843419752794 0.88165118683239 15.999 > 81 119 O 0.13706824659273 0.69156580247206 0.13165118683239 15.999 > 83 120 O 0.13706824659273 0.69156580247206 0.63165118683239 15.999 > 83 121 O 0.63669192291900 0.66599495171104 0.16197587902319 15.999 > 85 122 O 0.63669192291900 0.66599495171104 0.66197587902319 15.999 > 85 123 O 0.86330807708100 0.66599495171104 0.16197587902319 15.999 > 87 124 O 0.86330807708100 0.66599495171104 0.66197587902319 15.999 > 87 125 O 0.86293175340727 0.80843419752794 0.38165118683239 15.999 > 89 126 O 0.86293175340727 0.80843419752794 0.88165118683239 15.999 > 89 127 O 0.75000000000000 0.53192572735820 0.05153026111197 15.999 > 91 128 O 0.75000000000000 0.53192572735820 0.55153026111197 15.999 > 91 129 O 0.47376066488027 0.60252934942401 0.44881561532763 15.999 > 93 130 O 0.47376066488027 0.60252934942401 0.94881561532763 15.999 > 93 131 O 0.50000000000000 0.50000000000000 0.28967211701477 15.999 > 95 132 O 0.50000000000000 0.50000000000000 0.78967211701477 15.999 > 95 133 O 0.13669192291900 0.83400504828896 0.41197587902319 15.999 > 97 134 O 0.13669192291900 0.83400504828896 0.91197587902319 15.999 > 97 135 O 0.75000000000000 0.85156872512983 0.03845203909482 15.999 > 99 136 O 0.75000000000000 0.85156872512983 0.53845203909482 15.999 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1897294 0.0000000 0.0000000 0.0000000 3.1699312 0.0000000 0.0000000 0.0000000 3.3266802 -------------------------- Born effective charges -------------------------- 1 K 1.1823983 0.0000000 0.0000000 0.0000000 1.1947454 0.0186166 0.0000000 0.0161192 1.2330490 2 K 1.1823983 0.0000000 0.0000000 0.0000000 1.1947454 -0.0186166 0.0000000 -0.0161192 1.2330490 3 Ca 2.4339832 -0.0645200 0.0000000 -0.1493692 2.3086437 -0.0000000 0.0000000 0.0000000 2.6654413 4 Ca 2.4946611 0.0847274 -0.0022527 0.0620108 2.4582103 0.0035820 0.0323528 -0.0021223 2.4396342 5 Ca 2.2704090 0.0000000 0.0000000 0.0000000 2.4221583 -0.2942578 0.0000000 -0.3034400 2.7425127 6 Ca 2.4946611 0.0847274 0.0022527 0.0620108 2.4582103 -0.0035820 -0.0323528 0.0021223 2.4396342 7 Ca 2.4946611 -0.0847274 -0.0022527 -0.0620108 2.4582103 -0.0035820 0.0323528 0.0021223 2.4396342 8 Ca 2.2704090 0.0000000 0.0000000 0.0000000 2.4221583 0.2942578 0.0000000 0.3034400 2.7425127 9 Ca 2.4339832 0.0645200 0.0000000 0.1493692 2.3086437 -0.0000000 0.0000000 0.0000000 2.6654413 10 Ca 2.4946611 -0.0847274 0.0022527 -0.0620108 2.4582103 0.0035820 -0.0323528 -0.0021223 2.4396342 11 B 2.5666829 0.0000000 0.0000000 0.0000000 0.6388305 0.2976876 0.0000000 0.4285856 2.6555937 12 B 2.5732433 0.0000000 0.0000000 0.0000000 1.8682928 1.1775033 0.0000000 1.0432201 1.4406027 13 B 0.5613530 0.6143110 0.0000000 0.5176190 2.4678877 -0.0000000 0.0000000 0.0000000 2.6562269 14 B 0.5613530 -0.6143110 0.0000000 -0.5176190 2.4678877 -0.0000000 0.0000000 0.0000000 2.6562269 15 B 2.5666829 0.0000000 0.0000000 0.0000000 0.6388305 -0.2976876 0.0000000 -0.4285856 2.6555937 16 B 2.5732433 0.0000000 0.0000000 0.0000000 1.8682928 -1.1775033 0.0000000 -1.0432201 1.4406027 17 O -2.3760706 0.2771788 -0.2620045 0.2713319 -1.7466955 0.2968728 -0.2916511 0.2321870 -1.6090157 18 O -1.5639140 0.0000000 0.0000000 0.0000000 -2.1847452 0.7773726 0.0000000 0.7434426 -1.7840578 19 O -1.3516920 0.3085890 -0.1102814 0.2705557 -2.2919690 0.3111393 -0.1055280 0.3141835 -1.9938958 20 O -1.1084597 -0.0983193 0.0000000 -0.0910940 -1.7263950 -0.0000000 0.0000000 0.0000000 -2.6542163 21 O -1.3516920 -0.3085890 0.1102814 -0.2705557 -2.2919690 0.3111393 0.1055280 0.3141835 -1.9938958 22 O -2.3821921 -0.1814950 0.3151204 -0.1790502 -1.3043023 0.0622880 0.3229517 0.1257089 -2.0150508 23 O -1.3516920 -0.3085890 -0.1102814 -0.2705557 -2.2919690 -0.3111393 -0.1055280 -0.3141835 -1.9938958 24 O -1.6851085 0.0000000 0.0000000 0.0000000 -1.2199050 0.2035729 0.0000000 0.2550441 -2.5984961 25 O -2.3821921 -0.1814950 -0.3151204 -0.1790502 -1.3043023 -0.0622880 -0.3229517 -0.1257089 -2.0150508 26 O -2.3821921 0.1814950 -0.3151204 0.1790502 -1.3043023 0.0622880 -0.3229517 0.1257089 -2.0150508 27 O -2.3760706 0.2771788 0.2620045 0.2713319 -1.7466955 -0.2968728 0.2916511 -0.2321870 -1.6090157 28 O -2.3760706 -0.2771788 -0.2620045 -0.2713319 -1.7466955 -0.2968728 -0.2916511 -0.2321870 -1.6090157 29 O -2.3821921 0.1814950 0.3151204 0.1790502 -1.3043023 -0.0622880 0.3229517 -0.1257089 -2.0150508 30 O -1.5639140 0.0000000 0.0000000 0.0000000 -2.1847452 -0.7773726 0.0000000 -0.7434426 -1.7840578 31 O -1.3516920 0.3085890 0.1102814 0.2705557 -2.2919690 -0.3111393 0.1055280 -0.3141835 -1.9938958 32 O -1.1084597 0.0983193 0.0000000 0.0910940 -1.7263950 -0.0000000 0.0000000 0.0000000 -2.6542163 33 O -2.3760706 -0.2771788 0.2620045 -0.2713319 -1.7466955 0.2968728 0.2916511 0.2321870 -1.6090157 34 O -1.6851085 0.0000000 0.0000000 0.0000000 -1.2199050 -0.2035729 0.0000000 -0.2550441 -2.5984961 ---------------------------------------------------------------------------- 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[ 9, 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[ 11, 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[ 41, 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[ 43, 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[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, 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[ 69, 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[ 71, 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[ 75, 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[ 79, 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: -0.00000001 (xzx) -0.00000001 (xzx) -0.00000001 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 11:41:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:41:27]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.570960200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.726279295000000 3.240264160000000 c 0.000000000000000 -5.726279295000000 3.240264160000000 Atomic positions (fractional): 1 K 0.75000000000000 0.26997565421602 0.10744079075031 39.098 2 K 0.25000000000000 0.10744079075031 0.26997565421602 39.098 3 Ca 0.00000000000000 0.71845111880852 0.71845111880852 40.078 4 Ca 0.47111560802023 0.29114858641671 0.86391238025405 40.078 5 Ca 0.25000000000000 0.60087763017834 0.29307303693018 40.078 6 Ca 0.52888439197977 0.86391238025405 0.29114858641671 40.078 7 Ca 0.97111560802023 0.86391238025405 0.29114858641671 40.078 8 Ca 0.75000000000000 0.29307303693018 0.60087763017834 40.078 9 Ca 0.50000000000000 0.71845111880852 0.71845111880852 40.078 10 Ca 0.02888439197977 0.29114858641671 0.86391238025405 40.078 11 B 0.75000000000000 0.69637457044296 0.04291475332517 10.811 12 B 0.75000000000000 0.86475900312780 0.62318224083642 10.811 13 B 0.00000000000000 0.29130949544135 0.29130949544135 10.811 14 B 0.50000000000000 0.29130949544135 0.29130949544135 10.811 15 B 0.25000000000000 0.04291475332517 0.69637457044296 10.811 16 B 0.25000000000000 0.62318224083642 0.86475900312780 10.811 17 O 0.36330807708100 0.65795680633534 0.98994670975741 15.999 18 O 0.25000000000000 0.57113479486574 0.63498624958215 15.999 19 O 0.52623933511973 0.29510188123125 0.50016058007926 15.999 20 O 0.00000000000000 0.07934423402955 0.07934423402955 15.999 21 O 0.97376066488027 0.29510188123125 0.50016058007926 15.999 22 O 0.36293175340727 0.95486817613683 0.57173657119272 15.999 23 O 0.02623933511973 0.50016058007926 0.29510188123125 15.999 24 O 0.25000000000000 0.22533535305980 0.92847280331947 15.999 25 O 0.63706824659273 0.57173657119271 0.95486817613683 15.999 26 O 0.13706824659273 0.95486817613683 0.57173657119272 15.999 27 O 0.63669192291900 0.98994670975741 0.65795680633534 15.999 28 O 0.86330807708100 0.98994670975741 0.65795680633534 15.999 29 O 0.86293175340727 0.57173657119271 0.95486817613683 15.999 30 O 0.75000000000000 0.63498624958215 0.57113479486574 15.999 31 O 0.47376066488027 0.50016058007926 0.29510188123125 15.999 32 O 0.50000000000000 0.07934423402955 0.07934423402955 15.999 33 O 0.13669192291900 0.65795680633534 0.98994670975741 15.999 34 O 0.75000000000000 0.92847280331947 0.22533535305980 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.570960200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.452558590000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.961056640000001 Atomic positions (fractional): 1 K 0.75000000000000 0.08126743173286 0.09435411124158 39.098 > 1 2 K 0.75000000000000 0.08126743173286 0.59435411124158 39.098 > 1 3 K 0.25000000000000 0.41873256826714 0.34435411124158 39.098 > 3 4 K 0.25000000000000 0.41873256826714 0.84435411124158 39.098 > 3 5 K 0.75000000000000 0.58126743173286 0.34435411124158 39.098 > 1 6 K 0.75000000000000 0.58126743173286 0.84435411124158 39.098 > 1 7 K 0.25000000000000 0.91873256826714 0.09435411124158 39.098 > 3 8 K 0.25000000000000 0.91873256826714 0.59435411124158 39.098 > 3 9 Ca 0.00000000000000 0.00000000000000 0.35922555940426 40.078 > 9 10 Ca 0.00000000000000 0.00000000000000 0.85922555940426 40.078 > 9 11 Ca 0.47111560802023 0.21361810308133 0.03876524166769 40.078 > 11 12 Ca 0.47111560802023 0.21361810308133 0.53876524166769 40.078 > 11 13 Ca 0.25000000000000 0.15390229662408 0.22348766677713 40.078 > 13 14 Ca 0.25000000000000 0.15390229662408 0.72348766677713 40.078 > 13 15 Ca 0.52888439197977 0.28638189691867 0.28876524166769 40.078 > 15 16 Ca 0.52888439197977 0.28638189691867 0.78876524166769 40.078 > 15 17 Ca 0.97111560802023 0.28638189691867 0.28876524166769 40.078 > 17 18 Ca 0.97111560802023 0.28638189691867 0.78876524166769 40.078 > 17 19 Ca 0.75000000000000 0.34609770337592 0.47348766677713 40.078 > 19 20 Ca 0.75000000000000 0.34609770337592 0.97348766677713 40.078 > 19 21 Ca 0.50000000000000 0.00000000000000 0.35922555940426 40.078 > 21 22 Ca 0.50000000000000 0.00000000000000 0.85922555940426 40.078 > 21 23 Ca 0.02888439197977 0.21361810308133 0.03876524166769 40.078 > 23 24 Ca 0.02888439197977 0.21361810308133 0.53876524166769 40.078 > 23 25 Ca 0.00000000000000 0.50000000000000 0.10922555940426 40.078 > 9 26 Ca 0.00000000000000 0.50000000000000 0.60922555940426 40.078 > 9 27 Ca 0.47111560802023 0.71361810308133 0.28876524166769 40.078 > 11 28 Ca 0.47111560802023 0.71361810308133 0.78876524166769 40.078 > 11 29 Ca 0.25000000000000 0.65390229662408 0.47348766677713 40.078 > 13 30 Ca 0.25000000000000 0.65390229662408 0.97348766677713 40.078 > 13 31 Ca 0.52888439197977 0.78638189691867 0.03876524166769 40.078 > 15 32 Ca 0.52888439197977 0.78638189691867 0.53876524166769 40.078 > 15 33 Ca 0.97111560802023 0.78638189691867 0.03876524166769 40.078 > 17 34 Ca 0.97111560802023 0.78638189691867 0.53876524166769 40.078 > 17 35 Ca 0.75000000000000 0.84609770337592 0.22348766677713 40.078 > 19 36 Ca 0.75000000000000 0.84609770337592 0.72348766677713 40.078 > 19 37 Ca 0.50000000000000 0.50000000000000 0.10922555940426 40.078 > 21 38 Ca 0.50000000000000 0.50000000000000 0.60922555940426 40.078 > 21 39 Ca 0.02888439197977 0.71361810308133 0.28876524166769 40.078 > 23 40 Ca 0.02888439197977 0.71361810308133 0.78876524166769 40.078 > 23 41 B 0.75000000000000 0.32672990855889 0.18482233094203 10.811 > 41 42 B 0.75000000000000 0.32672990855889 0.68482233094203 10.811 > 41 43 B 0.75000000000000 0.12078838114569 0.37198531099106 10.811 > 43 44 B 0.75000000000000 0.12078838114569 0.87198531099106 10.811 > 43 45 B 0.00000000000000 0.00000000000000 0.14565474772068 10.811 > 45 46 B 0.00000000000000 0.00000000000000 0.64565474772068 10.811 > 45 47 B 0.50000000000000 0.00000000000000 0.14565474772068 10.811 > 47 48 B 0.50000000000000 0.00000000000000 0.64565474772068 10.811 > 47 49 B 0.25000000000000 0.17327009144111 0.43482233094203 10.811 > 49 50 B 0.25000000000000 0.17327009144111 0.93482233094203 10.811 > 49 51 B 0.25000000000000 0.37921161885431 0.12198531099106 10.811 > 51 52 B 0.25000000000000 0.37921161885431 0.62198531099106 10.811 > 51 53 B 0.75000000000000 0.82672990855889 0.43482233094203 10.811 > 41 54 B 0.75000000000000 0.82672990855889 0.93482233094203 10.811 > 41 55 B 0.75000000000000 0.62078838114569 0.12198531099106 10.811 > 43 56 B 0.75000000000000 0.62078838114569 0.62198531099106 10.811 > 43 57 B 0.00000000000000 0.50000000000000 0.39565474772068 10.811 > 45 58 B 0.00000000000000 0.50000000000000 0.89565474772068 10.811 > 45 59 B 0.50000000000000 0.50000000000000 0.39565474772068 10.811 > 47 60 B 0.50000000000000 0.50000000000000 0.89565474772068 10.811 > 47 61 B 0.25000000000000 0.67327009144111 0.18482233094203 10.811 > 49 62 B 0.25000000000000 0.67327009144111 0.68482233094203 10.811 > 49 63 B 0.25000000000000 0.87921161885431 0.37198531099106 10.811 > 51 64 B 0.25000000000000 0.87921161885431 0.87198531099106 10.811 > 51 65 O 0.36330807708100 0.33400504828896 0.16197587902319 15.999 > 65 66 O 0.36330807708100 0.33400504828896 0.66197587902319 15.999 > 65 67 O 0.25000000000000 0.46807427264180 0.05153026111197 15.999 > 67 68 O 0.25000000000000 0.46807427264180 0.55153026111197 15.999 > 67 69 O 0.52623933511973 0.39747065057599 0.44881561532763 15.999 > 69 70 O 0.52623933511973 0.39747065057599 0.94881561532763 15.999 > 69 71 O 0.00000000000000 0.00000000000000 0.03967211701477 15.999 > 71 72 O 0.00000000000000 0.00000000000000 0.53967211701477 15.999 > 71 73 O 0.97376066488027 0.39747065057599 0.44881561532763 15.999 > 73 74 O 0.97376066488027 0.39747065057599 0.94881561532763 15.999 > 73 75 O 0.36293175340727 0.19156580247206 0.38165118683239 15.999 > 75 76 O 0.36293175340727 0.19156580247206 0.88165118683239 15.999 > 75 77 O 0.02623933511973 0.10252934942401 0.19881561532763 15.999 > 77 78 O 0.02623933511973 0.10252934942401 0.69881561532763 15.999 > 77 79 O 0.25000000000000 0.14843127487016 0.03845203909482 15.999 > 79 80 O 0.25000000000000 0.14843127487016 0.53845203909482 15.999 > 79 81 O 0.63706824659273 0.30843419752794 0.13165118683239 15.999 > 81 82 O 0.63706824659273 0.30843419752794 0.63165118683239 15.999 > 81 83 O 0.13706824659273 0.19156580247206 0.38165118683239 15.999 > 83 84 O 0.13706824659273 0.19156580247206 0.88165118683239 15.999 > 83 85 O 0.63669192291900 0.16599495171104 0.41197587902319 15.999 > 85 86 O 0.63669192291900 0.16599495171104 0.91197587902319 15.999 > 85 87 O 0.86330807708100 0.16599495171104 0.41197587902319 15.999 > 87 88 O 0.86330807708100 0.16599495171104 0.91197587902319 15.999 > 87 89 O 0.86293175340727 0.30843419752794 0.13165118683239 15.999 > 89 90 O 0.86293175340727 0.30843419752794 0.63165118683239 15.999 > 89 91 O 0.75000000000000 0.03192572735820 0.30153026111197 15.999 > 91 92 O 0.75000000000000 0.03192572735820 0.80153026111197 15.999 > 91 93 O 0.47376066488027 0.10252934942401 0.19881561532763 15.999 > 93 94 O 0.47376066488027 0.10252934942401 0.69881561532763 15.999 > 93 95 O 0.50000000000000 0.00000000000000 0.03967211701477 15.999 > 95 96 O 0.50000000000000 0.00000000000000 0.53967211701477 15.999 > 95 97 O 0.13669192291900 0.33400504828896 0.16197587902319 15.999 > 97 98 O 0.13669192291900 0.33400504828896 0.66197587902319 15.999 > 97 99 O 0.75000000000000 0.35156872512984 0.28845203909482 15.999 > 99 100 O 0.75000000000000 0.35156872512984 0.78845203909482 15.999 > 99 101 O 0.36330807708100 0.83400504828896 0.41197587902319 15.999 > 65 102 O 0.36330807708100 0.83400504828896 0.91197587902319 15.999 > 65 103 O 0.25000000000000 0.96807427264180 0.30153026111197 15.999 > 67 104 O 0.25000000000000 0.96807427264180 0.80153026111197 15.999 > 67 105 O 0.52623933511973 0.89747065057599 0.19881561532763 15.999 > 69 106 O 0.52623933511973 0.89747065057599 0.69881561532763 15.999 > 69 107 O 0.00000000000000 0.50000000000000 0.28967211701477 15.999 > 71 108 O 0.00000000000000 0.50000000000000 0.78967211701477 15.999 > 71 109 O 0.97376066488027 0.89747065057599 0.19881561532763 15.999 > 73 110 O 0.97376066488027 0.89747065057599 0.69881561532763 15.999 > 73 111 O 0.36293175340727 0.69156580247206 0.13165118683239 15.999 > 75 112 O 0.36293175340727 0.69156580247206 0.63165118683239 15.999 > 75 113 O 0.02623933511973 0.60252934942401 0.44881561532763 15.999 > 77 114 O 0.02623933511973 0.60252934942401 0.94881561532763 15.999 > 77 115 O 0.25000000000000 0.64843127487017 0.28845203909482 15.999 > 79 116 O 0.25000000000000 0.64843127487017 0.78845203909482 15.999 > 79 117 O 0.63706824659273 0.80843419752794 0.38165118683239 15.999 > 81 118 O 0.63706824659273 0.80843419752794 0.88165118683239 15.999 > 81 119 O 0.13706824659273 0.69156580247206 0.13165118683239 15.999 > 83 120 O 0.13706824659273 0.69156580247206 0.63165118683239 15.999 > 83 121 O 0.63669192291900 0.66599495171104 0.16197587902319 15.999 > 85 122 O 0.63669192291900 0.66599495171104 0.66197587902319 15.999 > 85 123 O 0.86330807708100 0.66599495171104 0.16197587902319 15.999 > 87 124 O 0.86330807708100 0.66599495171104 0.66197587902319 15.999 > 87 125 O 0.86293175340727 0.80843419752794 0.38165118683239 15.999 > 89 126 O 0.86293175340727 0.80843419752794 0.88165118683239 15.999 > 89 127 O 0.75000000000000 0.53192572735820 0.05153026111197 15.999 > 91 128 O 0.75000000000000 0.53192572735820 0.55153026111197 15.999 > 91 129 O 0.47376066488027 0.60252934942401 0.44881561532763 15.999 > 93 130 O 0.47376066488027 0.60252934942401 0.94881561532763 15.999 > 93 131 O 0.50000000000000 0.50000000000000 0.28967211701477 15.999 > 95 132 O 0.50000000000000 0.50000000000000 0.78967211701477 15.999 > 95 133 O 0.13669192291900 0.83400504828896 0.41197587902319 15.999 > 97 134 O 0.13669192291900 0.83400504828896 0.91197587902319 15.999 > 97 135 O 0.75000000000000 0.85156872512983 0.03845203909482 15.999 > 99 136 O 0.75000000000000 0.85156872512983 0.53845203909482 15.999 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1897294 0.0000000 0.0000000 0.0000000 3.1699312 0.0000000 0.0000000 0.0000000 3.3266802 -------------------------- Born effective charges -------------------------- 1 K 1.1823983 0.0000000 0.0000000 0.0000000 1.1947454 0.0186166 0.0000000 0.0161192 1.2330490 2 K 1.1823983 0.0000000 0.0000000 0.0000000 1.1947454 -0.0186166 0.0000000 -0.0161192 1.2330490 3 Ca 2.4339832 -0.0645200 0.0000000 -0.1493692 2.3086437 -0.0000000 0.0000000 0.0000000 2.6654413 4 Ca 2.4946611 0.0847274 -0.0022527 0.0620108 2.4582103 0.0035820 0.0323528 -0.0021223 2.4396342 5 Ca 2.2704090 0.0000000 0.0000000 0.0000000 2.4221583 -0.2942578 0.0000000 -0.3034400 2.7425127 6 Ca 2.4946611 0.0847274 0.0022527 0.0620108 2.4582103 -0.0035820 -0.0323528 0.0021223 2.4396342 7 Ca 2.4946611 -0.0847274 -0.0022527 -0.0620108 2.4582103 -0.0035820 0.0323528 0.0021223 2.4396342 8 Ca 2.2704090 0.0000000 0.0000000 0.0000000 2.4221583 0.2942578 0.0000000 0.3034400 2.7425127 9 Ca 2.4339832 0.0645200 0.0000000 0.1493692 2.3086437 -0.0000000 0.0000000 0.0000000 2.6654413 10 Ca 2.4946611 -0.0847274 0.0022527 -0.0620108 2.4582103 0.0035820 -0.0323528 -0.0021223 2.4396342 11 B 2.5666829 0.0000000 0.0000000 0.0000000 0.6388305 0.2976876 0.0000000 0.4285856 2.6555937 12 B 2.5732433 0.0000000 0.0000000 0.0000000 1.8682928 1.1775033 0.0000000 1.0432201 1.4406027 13 B 0.5613530 0.6143110 0.0000000 0.5176190 2.4678877 -0.0000000 0.0000000 0.0000000 2.6562269 14 B 0.5613530 -0.6143110 0.0000000 -0.5176190 2.4678877 -0.0000000 0.0000000 0.0000000 2.6562269 15 B 2.5666829 0.0000000 0.0000000 0.0000000 0.6388305 -0.2976876 0.0000000 -0.4285856 2.6555937 16 B 2.5732433 0.0000000 0.0000000 0.0000000 1.8682928 -1.1775033 0.0000000 -1.0432201 1.4406027 17 O -2.3760706 0.2771788 -0.2620045 0.2713319 -1.7466955 0.2968728 -0.2916511 0.2321870 -1.6090157 18 O -1.5639140 0.0000000 0.0000000 0.0000000 -2.1847452 0.7773726 0.0000000 0.7434426 -1.7840578 19 O -1.3516920 0.3085890 -0.1102814 0.2705557 -2.2919690 0.3111393 -0.1055280 0.3141835 -1.9938958 20 O -1.1084597 -0.0983193 0.0000000 -0.0910940 -1.7263950 -0.0000000 0.0000000 0.0000000 -2.6542163 21 O -1.3516920 -0.3085890 0.1102814 -0.2705557 -2.2919690 0.3111393 0.1055280 0.3141835 -1.9938958 22 O -2.3821921 -0.1814950 0.3151204 -0.1790502 -1.3043023 0.0622880 0.3229517 0.1257089 -2.0150508 23 O -1.3516920 -0.3085890 -0.1102814 -0.2705557 -2.2919690 -0.3111393 -0.1055280 -0.3141835 -1.9938958 24 O -1.6851085 0.0000000 0.0000000 0.0000000 -1.2199050 0.2035729 0.0000000 0.2550441 -2.5984961 25 O -2.3821921 -0.1814950 -0.3151204 -0.1790502 -1.3043023 -0.0622880 -0.3229517 -0.1257089 -2.0150508 26 O -2.3821921 0.1814950 -0.3151204 0.1790502 -1.3043023 0.0622880 -0.3229517 0.1257089 -2.0150508 27 O -2.3760706 0.2771788 0.2620045 0.2713319 -1.7466955 -0.2968728 0.2916511 -0.2321870 -1.6090157 28 O -2.3760706 -0.2771788 -0.2620045 -0.2713319 -1.7466955 -0.2968728 -0.2916511 -0.2321870 -1.6090157 29 O -2.3821921 0.1814950 0.3151204 0.1790502 -1.3043023 -0.0622880 0.3229517 -0.1257089 -2.0150508 30 O -1.5639140 0.0000000 0.0000000 0.0000000 -2.1847452 -0.7773726 0.0000000 -0.7434426 -1.7840578 31 O -1.3516920 0.3085890 0.1102814 0.2705557 -2.2919690 -0.3111393 0.1055280 -0.3141835 -1.9938958 32 O -1.1084597 0.0983193 0.0000000 0.0910940 -1.7263950 -0.0000000 0.0000000 0.0000000 -2.6542163 33 O -2.3760706 -0.2771788 0.2620045 -0.2713319 -1.7466955 0.2968728 0.2916511 0.2321870 -1.6090157 34 O -1.6851085 0.0000000 0.0000000 0.0000000 -1.2199050 -0.2035729 0.0000000 -0.2550441 -2.5984961 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xzx) -0.00000001 (xzx) -0.00000001 (xxz) 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 ... [ 5 9 9 ] 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: 0.57, Number of G-points: 311, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 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 1.299 ( 0.000 0.000 0.000) 0.000 2.510 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.697 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.887 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.470 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 0.000) 0.000 5.921 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 -0.000) 0.000 6.307 ( 0.000 0.000 -0.000) 0.000 6.514 ( 0.000 0.000 0.000) 0.000 6.584 ( 0.000 0.000 0.000) 0.000 6.684 ( 0.000 0.000 0.000) 0.000 6.863 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 6.999 ( 0.000 0.000 0.000) 0.000 7.035 ( 0.000 0.000 -0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.340 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.542 ( 0.000 0.000 -0.000) 0.000 7.554 ( 0.000 0.000 0.000) 0.000 7.685 ( 0.000 0.000 0.000) 0.000 7.762 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 7.980 ( 0.000 0.000 0.000) 0.000 8.014 ( 0.000 0.000 0.000) 0.000 8.249 ( 0.000 0.000 -0.000) 0.000 8.434 ( 0.000 0.000 0.000) 0.000 8.602 ( 0.000 0.000 0.000) 0.000 8.657 ( 0.000 0.000 0.000) 0.000 8.684 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 -0.000) 0.000 8.941 ( 0.000 0.000 0.000) 0.000 9.118 ( 0.000 0.000 0.000) 0.000 9.277 ( 0.000 0.000 0.000) 0.000 9.386 ( 0.000 0.000 0.000) 0.000 9.493 ( 0.000 0.000 0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 9.972 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 10.336 ( 0.000 0.000 0.000) 0.000 10.765 ( 0.000 0.000 -0.000) 0.000 16.454 ( 0.000 0.000 0.000) 0.000 16.511 ( 0.000 0.000 -0.000) 0.000 17.126 ( 0.000 0.000 0.000) 0.000 17.174 ( 0.000 0.000 0.000) 0.000 17.238 ( 0.000 0.000 -0.000) 0.000 17.475 ( 0.000 0.000 -0.000) 0.000 17.722 ( 0.000 0.000 -0.000) 0.000 17.840 ( 0.000 0.000 0.000) 0.000 17.921 ( 0.000 0.000 0.000) 0.000 18.221 ( 0.000 0.000 0.000) 0.000 18.253 ( 0.000 0.000 -0.000) 0.000 18.283 ( 0.000 0.000 0.000) 0.000 20.772 ( 0.000 0.000 -0.000) 0.000 20.772 ( 0.000 0.000 0.000) 0.000 21.666 ( 0.000 0.000 0.000) 0.000 21.672 ( 0.000 0.000 0.000) 0.000 22.117 ( 0.000 0.000 0.000) 0.000 22.324 ( 0.000 0.000 0.000) 0.000 26.676 ( 0.000 0.000 -0.000) 0.000 26.763 ( 0.000 0.000 0.000) 0.000 27.118 ( 0.000 0.000 0.000) 0.000 27.298 ( 0.000 0.000 -0.000) 0.000 27.307 ( 0.000 0.000 0.000) 0.000 27.440 ( 0.000 0.000 0.000) 0.000 34.713 ( 0.000 0.000 0.000) 0.000 34.852 ( 0.000 0.000 -0.000) 0.000 36.225 ( 0.000 0.000 0.000) 0.000 36.834 ( 0.000 0.000 0.000) 0.000 36.980 ( 0.000 0.000 0.000) 0.000 37.685 ( 0.000 0.000 -0.000) 0.000 37.853 ( 0.000 0.000 0.000) 0.000 37.975 ( 0.000 0.000 0.000) 0.000 37.987 ( 0.000 0.000 0.000) 0.000 38.233 ( 0.000 0.000 0.000) 0.000 38.612 ( 0.000 0.000 0.000) 0.000 38.773 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 37.173 0.000 0.000) 37.173 0.713 ( 37.178 0.000 0.000) 37.178 1.409 ( 70.716 0.000 0.000) 70.716 2.410 ( -12.272 0.000 0.000) 12.272 2.507 ( -14.407 0.000 0.000) 14.407 2.753 ( -2.216 0.000 0.000) 2.216 3.063 ( -17.486 0.000 0.000) 17.486 3.218 ( 2.264 0.000 0.000) 2.264 3.624 ( -7.751 0.000 0.000) 7.751 3.648 ( 11.863 0.000 0.000) 11.863 3.790 ( 7.786 0.000 0.000) 7.786 3.981 ( 3.381 0.000 0.000) 3.381 4.075 ( -5.502 0.000 0.000) 5.502 4.371 ( -4.010 0.000 0.000) 4.010 4.423 ( 7.257 0.000 0.000) 7.257 4.432 ( 4.904 0.000 0.000) 4.904 4.903 ( -0.492 0.000 0.000) 0.492 5.048 ( -2.456 0.000 0.000) 2.456 5.409 ( -4.879 0.000 0.000) 4.879 5.422 ( 0.625 0.000 0.000) 0.625 5.589 ( 3.517 0.000 0.000) 3.517 5.609 ( -2.798 0.000 0.000) 2.798 5.716 ( -3.805 0.000 0.000) 3.805 5.734 ( -3.245 0.000 0.000) 3.245 5.844 ( 6.641 0.000 0.000) 6.641 5.935 ( 0.433 0.000 0.000) 0.433 5.985 ( 5.924 0.000 0.000) 5.924 6.095 ( -3.799 0.000 0.000) 3.799 6.115 ( 1.159 0.000 0.000) 1.159 6.160 ( -6.814 0.000 0.000) 6.814 6.300 ( -3.688 0.000 0.000) 3.688 6.524 ( 1.583 0.000 0.000) 1.583 6.614 ( -6.931 0.000 0.000) 6.931 6.797 ( -9.247 0.000 0.000) 9.247 6.949 ( 2.551 0.000 0.000) 2.551 6.993 ( 0.205 0.000 0.000) 0.205 7.001 ( 3.597 0.000 0.000) 3.597 7.101 ( 0.225 0.000 0.000) 0.225 7.140 ( 7.084 0.000 0.000) 7.084 7.217 ( 0.540 0.000 0.000) 0.540 7.383 ( 3.421 0.000 0.000) 3.421 7.389 ( -2.445 0.000 0.000) 2.445 7.550 ( 0.350 0.000 0.000) 0.350 7.565 ( -0.726 0.000 0.000) 0.726 7.681 ( 2.149 0.000 0.000) 2.149 7.872 ( 0.996 0.000 0.000) 0.996 7.950 ( -1.401 0.000 0.000) 1.401 8.042 ( 4.607 0.000 0.000) 4.607 8.145 ( -0.939 0.000 0.000) 0.939 8.450 ( 4.175 0.000 0.000) 4.175 8.535 ( -6.856 0.000 0.000) 6.856 8.646 ( 0.399 0.000 0.000) 0.399 8.677 ( -1.632 0.000 0.000) 1.632 8.928 ( 1.773 0.000 0.000) 1.773 8.941 ( -0.780 0.000 0.000) 0.780 9.057 ( -5.491 0.000 0.000) 5.491 9.265 ( -1.436 0.000 0.000) 1.436 9.276 ( -5.415 0.000 0.000) 5.415 9.548 ( -0.620 0.000 0.000) 0.620 9.563 ( 2.967 0.000 0.000) 2.967 9.824 ( -2.053 0.000 0.000) 2.053 9.923 ( -5.585 0.000 0.000) 5.585 9.934 ( 2.316 0.000 0.000) 2.316 10.128 ( -10.247 0.000 0.000) 10.247 11.139 ( 27.482 0.000 0.000) 27.482 12.322 ( -9.372 0.000 0.000) 9.372 16.457 ( 0.344 0.000 0.000) 0.344 16.503 ( -0.844 0.000 0.000) 0.844 17.125 ( 0.164 0.000 0.000) 0.164 17.213 ( 2.348 0.000 0.000) 2.348 17.219 ( -1.829 0.000 0.000) 1.829 17.419 ( -4.431 0.000 0.000) 4.431 17.804 ( 6.942 0.000 0.000) 6.942 17.851 ( 1.059 0.000 0.000) 1.059 17.919 ( -0.129 0.000 0.000) 0.129 18.209 ( -4.172 0.000 0.000) 4.172 18.229 ( 0.887 0.000 0.000) 0.887 18.298 ( -0.453 0.000 0.000) 0.453 20.772 ( 0.007 0.000 0.000) 0.007 20.772 ( -0.003 0.000 0.000) 0.003 21.667 ( 0.088 0.000 0.000) 0.088 21.672 ( -0.034 0.000 0.000) 0.034 22.292 ( 0.344 0.000 0.000) 0.344 22.321 ( -0.348 0.000 0.000) 0.348 26.687 ( 1.070 0.000 0.000) 1.070 26.757 ( -0.646 0.000 0.000) 0.646 27.129 ( 1.188 0.000 0.000) 1.188 27.260 ( -2.477 0.000 0.000) 2.477 27.338 ( 1.807 0.000 0.000) 1.807 27.431 ( -0.956 0.000 0.000) 0.956 34.896 ( 4.439 0.000 0.000) 4.439 35.261 ( -4.401 0.000 0.000) 4.401 36.839 ( 1.522 0.000 0.000) 1.522 36.965 ( -1.503 0.000 0.000) 1.503 37.712 ( 2.692 0.000 0.000) 2.692 37.853 ( -0.116 0.000 0.000) 0.116 37.966 ( -0.950 0.000 0.000) 0.950 37.977 ( -1.036 0.000 0.000) 1.036 38.146 ( 0.664 0.000 0.000) 0.664 38.215 ( -1.635 0.000 0.000) 1.635 38.631 ( 1.921 0.000 0.000) 1.921 38.759 ( -1.371 0.000 0.000) 1.371 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 34.777 0.000 0.000) 34.777 1.397 ( 34.782 0.000 0.000) 34.782 2.008 ( -28.596 0.000 0.000) 28.596 2.019 ( -30.077 0.000 0.000) 30.077 2.579 ( 45.187 0.000 0.000) 45.187 2.869 ( -3.426 0.000 0.000) 3.426 2.869 ( 9.156 0.000 0.000) 9.156 3.326 ( -22.425 0.000 0.000) 22.425 3.350 ( 15.199 0.000 0.000) 15.199 3.775 ( -23.101 0.000 0.000) 23.101 3.856 ( 9.053 0.000 0.000) 9.053 3.973 ( 11.169 0.000 0.000) 11.169 3.986 ( -4.740 0.000 0.000) 4.740 4.194 ( -11.671 0.000 0.000) 11.671 4.562 ( 8.456 0.000 0.000) 8.456 4.669 ( 6.977 0.000 0.000) 6.977 4.823 ( -1.693 0.000 0.000) 1.693 4.961 ( -7.224 0.000 0.000) 7.224 5.404 ( 5.421 0.000 0.000) 5.421 5.456 ( 2.881 0.000 0.000) 2.881 5.533 ( -4.517 0.000 0.000) 4.517 5.559 ( -8.107 0.000 0.000) 8.107 5.696 ( 2.825 0.000 0.000) 2.825 5.721 ( 0.435 0.000 0.000) 0.435 5.934 ( 3.224 0.000 0.000) 3.224 5.961 ( 1.658 0.000 0.000) 1.658 6.018 ( -3.248 0.000 0.000) 3.248 6.036 ( -3.293 0.000 0.000) 3.293 6.142 ( 1.946 0.000 0.000) 1.946 6.175 ( 7.967 0.000 0.000) 7.967 6.215 ( -1.582 0.000 0.000) 1.582 6.422 ( -12.610 0.000 0.000) 12.610 6.568 ( 2.987 0.000 0.000) 2.987 6.646 ( -5.673 0.000 0.000) 5.673 6.961 ( -0.017 0.000 0.000) 0.017 6.983 ( -2.289 0.000 0.000) 2.289 7.056 ( 4.548 0.000 0.000) 4.548 7.117 ( -1.251 0.000 0.000) 1.251 7.262 ( 2.828 0.000 0.000) 2.828 7.267 ( 4.074 0.000 0.000) 4.074 7.369 ( 2.124 0.000 0.000) 2.124 7.431 ( -0.084 0.000 0.000) 0.084 7.523 ( -1.422 0.000 0.000) 1.422 7.541 ( -1.435 0.000 0.000) 1.435 7.783 ( 6.405 0.000 0.000) 6.405 7.883 ( -4.699 0.000 0.000) 4.699 7.905 ( 4.098 0.000 0.000) 4.098 8.043 ( -8.278 0.000 0.000) 8.278 8.161 ( 7.641 0.000 0.000) 7.641 8.347 ( -11.508 0.000 0.000) 11.508 8.587 ( 5.267 0.000 0.000) 5.267 8.635 ( -2.010 0.000 0.000) 2.010 8.696 ( 7.371 0.000 0.000) 7.371 8.862 ( -7.348 0.000 0.000) 7.348 8.969 ( 2.343 0.000 0.000) 2.343 9.002 ( -1.024 0.000 0.000) 1.024 9.216 ( -1.347 0.000 0.000) 1.347 9.226 ( -2.057 0.000 0.000) 2.057 9.548 ( 0.836 0.000 0.000) 0.836 9.575 ( -1.342 0.000 0.000) 1.342 9.797 ( -0.662 0.000 0.000) 0.662 9.816 ( -3.481 0.000 0.000) 3.481 9.975 ( 2.097 0.000 0.000) 2.097 10.021 ( -3.047 0.000 0.000) 3.047 11.648 ( 25.095 0.000 0.000) 25.095 12.061 ( -18.080 0.000 0.000) 18.080 16.467 ( 0.748 0.000 0.000) 0.748 16.484 ( -1.052 0.000 0.000) 1.052 17.140 ( 1.456 0.000 0.000) 1.456 17.177 ( -2.332 0.000 0.000) 2.332 17.267 ( 3.315 0.000 0.000) 3.315 17.337 ( -4.053 0.000 0.000) 4.053 17.875 ( 1.319 0.000 0.000) 1.319 17.893 ( -0.039 0.000 0.000) 0.039 17.967 ( 7.165 0.000 0.000) 7.165 18.105 ( -6.698 0.000 0.000) 6.698 18.252 ( 1.443 0.000 0.000) 1.443 18.280 ( -1.341 0.000 0.000) 1.341 20.772 ( 0.009 0.000 0.000) 0.009 20.772 ( -0.007 0.000 0.000) 0.007 21.669 ( 0.115 0.000 0.000) 0.115 21.671 ( -0.082 0.000 0.000) 0.082 22.301 ( 0.558 0.000 0.000) 0.558 22.312 ( -0.561 0.000 0.000) 0.561 26.712 ( 1.490 0.000 0.000) 1.490 26.739 ( -1.225 0.000 0.000) 1.225 27.162 ( 2.222 0.000 0.000) 2.222 27.210 ( -2.718 0.000 0.000) 2.718 27.373 ( 1.826 0.000 0.000) 1.826 27.406 ( -1.603 0.000 0.000) 1.603 35.009 ( 7.141 0.000 0.000) 7.141 35.148 ( -7.116 0.000 0.000) 7.116 36.878 ( 2.461 0.000 0.000) 2.461 36.926 ( -2.451 0.000 0.000) 2.451 37.778 ( 3.834 0.000 0.000) 3.834 37.837 ( -1.958 0.000 0.000) 1.958 37.947 ( -0.539 0.000 0.000) 0.539 37.955 ( -1.079 0.000 0.000) 1.079 38.162 ( 0.990 0.000 0.000) 0.990 38.184 ( -1.413 0.000 0.000) 1.413 38.676 ( 2.589 0.000 0.000) 2.589 38.723 ( -2.319 0.000 0.000) 2.319 ======================= Grid point 5 (4/75) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.000 17.877 29.947) 34.877 0.788 ( 0.000 18.662 34.500) 39.224 1.324 ( 0.000 2.849 2.149) 3.568 1.508 ( 0.000 28.064 68.735) 74.244 2.568 ( 0.000 -3.186 8.098) 8.703 3.011 ( 0.000 4.993 4.308) 6.594 3.155 ( 0.000 3.416 5.931) 6.844 3.450 ( 0.000 3.373 -2.505) 4.202 3.598 ( 0.000 3.385 8.059) 8.741 3.602 ( 0.000 -0.732 6.473) 6.514 3.696 ( 0.000 1.968 4.548) 4.956 3.966 ( 0.000 5.519 0.403) 5.534 4.098 ( 0.000 -0.384 -0.280) 0.475 4.375 ( 0.000 -1.856 -0.768) 2.008 4.418 ( 0.000 6.937 0.538) 6.958 4.462 ( 0.000 5.701 0.559) 5.728 4.906 ( 0.000 -2.506 3.253) 4.106 5.003 ( 0.000 -1.440 -5.826) 6.001 5.356 ( 0.000 -7.726 -4.472) 8.927 5.440 ( 0.000 1.882 -4.635) 5.002 5.446 ( 0.000 2.448 -7.727) 8.105 5.573 ( 0.000 -0.498 -8.072) 8.087 5.639 ( 0.000 -0.595 -3.408) 3.460 5.799 ( 0.000 3.488 -5.352) 6.388 5.826 ( 0.000 -1.794 4.748) 5.075 5.954 ( 0.000 -4.346 4.570) 6.306 6.028 ( 0.000 0.199 1.288) 1.304 6.106 ( 0.000 3.129 7.781) 8.387 6.206 ( 0.000 6.432 -3.465) 7.306 6.266 ( 0.000 -1.397 0.186) 1.409 6.336 ( 0.000 4.181 1.707) 4.516 6.521 ( 0.000 1.532 -3.047) 3.410 6.574 ( 0.000 -0.382 -1.033) 1.102 6.636 ( 0.000 6.702 -2.657) 7.210 6.853 ( 0.000 -1.463 -0.664) 1.607 6.960 ( 0.000 1.080 3.487) 3.650 7.002 ( 0.000 -1.977 1.564) 2.521 7.097 ( 0.000 5.070 0.675) 5.114 7.176 ( 0.000 -6.343 2.123) 6.688 7.332 ( 0.000 -2.640 0.097) 2.642 7.358 ( 0.000 1.112 -0.984) 1.485 7.366 ( 0.000 7.299 8.085) 10.892 7.584 ( 0.000 7.128 0.034) 7.128 7.708 ( 0.000 -2.796 0.032) 2.796 7.766 ( 0.000 2.769 1.602) 3.199 7.863 ( 0.000 -0.058 0.432) 0.436 7.893 ( 0.000 1.899 -0.005) 1.899 7.922 ( 0.000 1.278 -4.058) 4.255 8.173 ( 0.000 9.253 5.438) 10.732 8.243 ( 0.000 -1.810 -0.635) 1.918 8.420 ( 0.000 -4.448 -6.117) 7.563 8.499 ( 0.000 3.040 -8.408) 8.940 8.583 ( 0.000 3.770 -8.661) 9.446 8.676 ( 0.000 3.222 -0.948) 3.358 8.845 ( 0.000 0.131 -5.433) 5.435 9.170 ( 0.000 0.565 -5.090) 5.121 9.199 ( 0.000 2.503 2.753) 3.720 9.533 ( 0.000 1.600 13.367) 13.462 9.559 ( 0.000 -2.164 5.269) 5.696 9.724 ( 0.000 -2.746 -3.380) 4.354 9.856 ( 0.000 -0.690 0.738) 1.010 9.989 ( 0.000 2.486 1.751) 3.041 10.273 ( 0.000 -0.833 -0.107) 0.840 10.354 ( 0.000 -0.360 2.147) 2.177 10.764 ( 0.000 0.163 -0.382) 0.415 12.516 ( 0.000 -35.620 8.000) 36.507 16.469 ( 0.000 -0.590 1.739) 1.836 16.523 ( 0.000 1.968 0.466) 2.022 17.180 ( 0.000 -3.219 2.213) 3.906 17.191 ( 0.000 -0.795 2.534) 2.656 17.241 ( 0.000 0.735 -1.660) 1.815 17.488 ( 0.000 1.201 0.574) 1.331 17.728 ( 0.000 0.485 -0.923) 1.043 17.835 ( 0.000 -1.543 -2.637) 3.055 17.883 ( 0.000 -0.922 -3.537) 3.655 18.154 ( 0.000 -2.260 -6.124) 6.528 18.243 ( 0.000 -1.434 -3.653) 3.924 18.286 ( 0.000 -2.945 -1.794) 3.449 20.776 ( 0.000 0.841 0.029) 0.841 20.952 ( 0.000 14.154 -6.500) 15.575 21.666 ( 0.000 -0.399 0.167) 0.432 21.759 ( 0.000 -2.727 1.108) 2.944 22.117 ( 0.000 -0.015 -0.029) 0.032 22.314 ( 0.000 0.210 -1.502) 1.517 26.693 ( 0.000 -0.441 0.665) 0.798 26.769 ( 0.000 1.085 -0.146) 1.095 27.137 ( 0.000 -0.141 1.586) 1.592 27.299 ( 0.000 -0.457 0.270) 0.531 27.316 ( 0.000 0.451 0.786) 0.906 27.447 ( 0.000 0.258 0.513) 0.574 34.719 ( 0.000 0.059 0.600) 0.603 34.849 ( 0.000 -0.434 -0.115) 0.449 36.207 ( 0.000 0.030 -1.982) 1.982 36.830 ( 0.000 -9.673 4.093) 10.503 36.992 ( 0.000 9.005 -8.800) 12.591 37.691 ( 0.000 6.156 -22.523) 23.349 37.831 ( 0.000 -3.056 0.269) 3.067 37.991 ( 0.000 3.833 1.095) 3.986 38.497 ( 0.000 1.556 17.019) 17.090 38.672 ( 0.000 -11.173 16.028) 19.538 38.737 ( 0.000 2.707 1.717) 3.206 40.353 ( 0.000 -30.435 16.089) 34.426 ======================= Grid point 6 (5/75) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 23.965 11.844 24.887) 36.524 1.217 ( 30.567 11.469 27.727) 42.833 1.916 ( 41.295 20.137 42.976) 62.910 2.126 ( 36.955 -14.694 -21.515) 45.216 2.489 ( -9.207 -3.666 10.116) 14.161 2.726 ( -18.233 5.791 8.218) 20.821 3.146 ( -17.845 5.705 4.508) 19.269 3.272 ( 3.874 2.315 4.949) 6.698 3.595 ( -5.385 -4.602 0.560) 7.106 3.710 ( 6.548 5.534 4.381) 9.627 3.794 ( 8.100 -0.150 0.819) 8.142 4.015 ( -1.348 4.335 0.229) 4.546 4.127 ( 2.960 4.072 4.707) 6.892 4.365 ( -4.221 0.499 -0.531) 4.283 4.428 ( 3.568 0.299 1.072) 3.738 4.496 ( 6.400 6.523 2.030) 9.361 4.912 ( 0.071 -1.933 1.275) 2.317 4.998 ( -0.511 0.038 -4.187) 4.218 5.339 ( -0.046 -5.724 -4.190) 7.094 5.390 ( -4.347 -0.643 -3.397) 5.555 5.487 ( -1.273 -3.632 -6.034) 7.157 5.578 ( 3.951 2.977 -4.907) 6.967 5.646 ( -0.184 -2.070 -2.954) 3.612 5.770 ( -3.216 5.919 -4.892) 8.325 5.853 ( 2.558 -4.819 4.222) 6.898 5.957 ( 0.546 1.090 2.845) 3.095 6.011 ( 0.487 -6.434 0.630) 6.483 6.134 ( -4.679 1.664 1.777) 5.275 6.159 ( 0.869 -0.196 2.630) 2.777 6.200 ( -3.229 3.443 3.563) 5.914 6.320 ( -2.345 5.674 -2.832) 6.761 6.512 ( -0.890 1.711 -1.714) 2.580 6.570 ( -2.136 2.660 0.298) 3.424 6.678 ( -2.727 0.611 -4.744) 5.506 6.854 ( 1.180 -6.704 -2.268) 7.175 6.960 ( 4.367 -1.788 -2.319) 5.257 7.038 ( -0.626 3.189 -2.327) 3.997 7.096 ( -2.365 -3.677 4.733) 6.443 7.147 ( 4.020 3.773 -0.640) 5.550 7.282 ( -2.349 5.504 0.964) 6.061 7.374 ( 1.266 0.977 2.621) 3.071 7.415 ( 1.453 4.777 0.030) 4.993 7.571 ( 3.163 -2.049 2.055) 4.292 7.657 ( -7.395 0.380 3.147) 8.046 7.724 ( -1.324 1.606 3.737) 4.278 7.877 ( 3.163 -5.091 4.026) 7.220 7.940 ( 4.209 -0.117 -0.962) 4.319 8.076 ( 4.675 2.173 2.316) 5.651 8.139 ( -2.420 0.605 1.585) 2.956 8.367 ( -1.420 -0.346 -11.955) 12.044 8.411 ( 2.998 3.910 -13.764) 14.619 8.524 ( 9.272 -1.669 -2.538) 9.757 8.610 ( 0.821 0.725 -5.714) 5.818 8.700 ( 3.506 4.795 -3.254) 6.773 8.837 ( -1.557 0.245 -5.716) 5.929 9.159 ( -3.602 0.453 2.484) 4.399 9.192 ( 0.661 1.710 -3.230) 3.715 9.358 ( -9.726 1.217 7.792) 12.522 9.641 ( 1.896 -3.471 5.422) 6.711 9.715 ( -0.199 -0.086 0.809) 0.838 9.857 ( -0.436 -0.857 0.874) 1.300 9.932 ( -5.525 2.777 1.837) 6.450 10.152 ( -8.140 1.663 10.514) 13.401 10.167 ( -8.934 0.106 4.532) 10.018 11.123 ( 26.478 -1.519 -1.383) 26.557 12.337 ( -14.239 -18.109 4.778) 23.527 16.474 ( 0.403 -0.404 1.650) 1.746 16.529 ( 0.032 1.641 1.287) 2.086 17.140 ( -1.175 -0.517 1.591) 2.044 17.212 ( -1.421 0.144 -0.688) 1.585 17.244 ( 1.876 -1.400 2.863) 3.698 17.439 ( -4.136 1.164 1.443) 4.532 17.790 ( 5.052 -0.472 -2.066) 5.479 17.823 ( -0.167 -0.608 -3.188) 3.250 17.892 ( 1.108 -0.393 -2.258) 2.546 18.156 ( -0.138 -3.087 -5.714) 6.496 18.213 ( -4.123 -0.048 -1.353) 4.340 18.241 ( -1.354 -2.050 -4.328) 4.977 20.776 ( -0.003 0.852 0.021) 0.852 20.874 ( -4.165 9.963 1.022) 10.847 21.666 ( -0.013 -0.646 0.197) 0.675 21.703 ( -2.196 -0.347 2.352) 3.237 22.212 ( 4.560 -1.982 -3.932) 6.339 22.309 ( -0.565 0.020 -1.477) 1.582 26.693 ( 0.474 0.115 0.431) 0.651 26.759 ( -0.776 0.759 0.043) 1.086 27.139 ( 0.708 -0.165 1.390) 1.569 27.263 ( -2.484 -0.324 0.505) 2.555 27.346 ( 1.791 0.302 0.601) 1.913 27.437 ( -0.962 0.291 0.519) 1.131 34.891 ( 4.238 -0.674 -0.266) 4.299 35.026 ( 13.062 -6.539 -11.695) 18.713 36.467 ( 20.320 -12.781 -19.665) 31.032 36.845 ( 1.542 -10.724 2.871) 11.208 37.019 ( 4.105 12.402 -12.995) 18.427 37.628 ( -6.261 5.433 -23.028) 24.474 37.852 ( 1.817 -2.026 -0.081) 2.722 37.977 ( -1.490 3.315 0.984) 3.765 38.506 ( 1.111 0.632 16.443) 16.493 38.691 ( 1.718 -11.211 15.172) 18.943 38.722 ( -1.411 3.072 5.900) 6.799 39.712 ( -40.469 4.140 44.076) 59.979 ======================= Grid point 7 (6/75) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 28.982 5.263 14.770) 32.951 1.745 ( 26.629 9.022 27.098) 39.049 2.087 ( -24.504 0.317 7.554) 25.644 2.229 ( -21.884 5.996 17.969) 28.944 2.694 ( 15.586 -0.490 -1.698) 15.686 2.820 ( 34.779 3.265 8.984) 36.069 2.909 ( -6.789 4.674 2.148) 8.518 3.332 ( -16.870 -0.373 1.576) 16.948 3.419 ( 13.205 3.404 7.304) 15.469 3.800 ( -12.829 1.528 1.960) 13.067 3.904 ( 4.710 5.163 2.569) 7.446 3.990 ( 8.479 0.084 2.549) 8.855 4.076 ( -6.331 4.066 6.559) 9.982 4.210 ( -10.288 2.058 2.683) 10.829 4.535 ( 6.658 -1.951 -1.137) 7.031 4.632 ( 0.808 2.088 -3.880) 4.480 4.908 ( 2.029 2.143 6.340) 6.993 4.976 ( -2.268 2.547 -0.031) 3.411 5.337 ( 1.232 -4.734 -5.408) 7.292 5.382 ( 3.652 -2.029 -4.556) 6.181 5.463 ( -1.131 -3.403 -3.680) 5.138 5.564 ( -5.944 -0.078 0.957) 6.021 5.668 ( 2.341 1.003 -5.252) 5.837 5.716 ( -1.757 3.450 -2.782) 4.767 5.898 ( 2.192 -6.938 0.891) 7.331 5.979 ( -0.379 -0.459 1.129) 1.277 6.025 ( -0.655 -5.111 2.183) 5.597 6.065 ( 0.015 -3.479 -3.350) 4.830 6.111 ( -1.015 0.844 1.658) 2.119 6.253 ( 1.576 2.955 1.703) 3.757 6.268 ( 1.211 7.692 1.387) 7.909 6.435 ( -8.627 1.649 1.983) 9.004 6.533 ( 0.426 -1.431 -0.260) 1.515 6.582 ( -3.372 2.456 -0.849) 4.257 6.888 ( 0.607 -3.177 -6.010) 6.825 6.960 ( -1.203 2.676 -3.146) 4.302 7.083 ( 1.492 -2.595 2.320) 3.787 7.134 ( 5.187 -1.626 -4.777) 7.236 7.189 ( -0.283 3.666 -2.229) 4.300 7.268 ( 0.674 2.600 -2.424) 3.618 7.378 ( -1.909 -0.075 1.004) 2.158 7.410 ( -0.108 3.089 2.204) 3.797 7.583 ( -0.434 -1.145 5.021) 5.168 7.642 ( 0.773 2.005 4.353) 4.854 7.764 ( 6.610 -2.645 0.310) 7.126 7.896 ( -3.836 -4.274 2.314) 6.192 7.928 ( 1.000 -0.864 4.090) 4.299 8.024 ( -7.177 0.865 -0.797) 7.273 8.179 ( 3.586 0.471 -1.438) 3.892 8.290 ( -3.180 4.752 -6.509) 8.664 8.548 ( 8.082 0.957 -5.690) 9.930 8.611 ( 0.221 -1.061 -4.068) 4.210 8.636 ( 2.446 1.032 -1.464) 3.032 8.752 ( -7.349 1.508 -4.627) 8.814 8.849 ( 10.215 -0.194 -5.231) 11.478 9.035 ( -8.022 -0.629 -0.131) 8.048 9.209 ( 0.860 1.289 -2.036) 2.559 9.243 ( -3.034 2.422 1.682) 4.231 9.640 ( -0.672 -5.061 3.672) 6.289 9.720 ( -0.076 2.086 6.220) 6.561 9.826 ( -1.126 0.496 3.875) 4.065 9.852 ( -2.418 2.286 2.362) 4.081 10.057 ( -1.652 0.639 9.066) 9.238 10.074 ( -2.339 1.193 6.361) 6.881 11.615 ( 24.255 -3.988 -2.407) 24.698 12.029 ( -18.666 -7.308 -1.009) 20.071 16.482 ( 0.381 -0.653 1.502) 1.681 16.522 ( -0.481 2.222 2.581) 3.439 17.141 ( 1.049 -0.087 0.282) 1.090 17.174 ( -2.099 0.218 -0.418) 2.151 17.290 ( 2.725 -1.176 2.774) 4.062 17.362 ( -3.634 0.672 2.586) 4.510 17.832 ( 0.809 -0.618 -4.650) 4.760 17.846 ( 0.367 -0.144 -4.899) 4.915 17.965 ( 6.424 -0.986 0.102) 6.500 18.090 ( -6.148 -1.837 -1.157) 6.520 18.188 ( 0.824 -1.665 -5.600) 5.900 18.217 ( -1.222 -1.589 -5.376) 5.738 20.776 ( 0.004 0.883 -0.005) 0.883 20.830 ( -0.910 6.059 2.255) 6.529 21.666 ( 0.003 -1.078 0.176) 1.093 21.683 ( -0.363 0.303 1.121) 1.216 22.265 ( 1.683 -1.333 -2.620) 3.387 22.294 ( -0.917 -0.282 -1.693) 1.946 26.711 ( 1.090 -0.106 -0.263) 1.127 26.742 ( -0.994 0.883 0.160) 1.339 27.167 ( 2.080 -0.340 0.866) 2.279 27.213 ( -2.685 -0.367 0.610) 2.778 27.379 ( 1.756 0.249 0.554) 1.858 27.412 ( -1.535 0.351 0.570) 1.675 34.994 ( 6.063 -1.309 -1.011) 6.285 35.092 ( -2.875 -2.895 -3.984) 5.703 36.707 ( 4.606 -17.715 -12.564) 22.201 36.868 ( 0.470 -9.713 0.610) 9.744 37.204 ( 13.950 9.762 -27.802) 32.601 37.461 ( -11.253 5.502 -25.101) 28.053 37.892 ( 2.312 -0.295 -0.326) 2.353 37.939 ( -2.329 1.663 1.430) 3.199 38.538 ( 1.759 -2.187 14.642) 14.909 38.679 ( -1.900 6.076 1.622) 6.569 38.736 ( 1.731 -14.219 30.072) 33.309 39.210 ( -12.843 19.205 35.448) 42.313 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.000 4.976 5.513) 7.427 1.530 ( 0.000 15.880 32.031) 35.752 1.601 ( 0.000 15.044 24.675) 28.900 2.556 ( 0.000 -5.743 19.477) 20.306 2.965 ( 0.000 21.700 40.734) 46.154 3.176 ( 0.000 7.258 9.403) 11.878 3.322 ( 0.000 2.249 8.930) 9.209 3.467 ( 0.000 8.488 -0.669) 8.514 3.558 ( 0.000 -6.613 -1.357) 6.751 3.836 ( 0.000 4.580 14.001) 14.731 3.889 ( 0.000 4.618 4.639) 6.546 4.040 ( 0.000 8.825 2.266) 9.111 4.146 ( 0.000 5.198 2.463) 5.752 4.329 ( 0.000 -3.873 0.966) 3.991 4.522 ( 0.000 3.317 3.840) 5.074 4.590 ( 0.000 10.230 5.458) 11.596 4.887 ( 0.000 -1.168 -4.528) 4.676 4.941 ( 0.000 -3.429 4.727) 5.839 5.172 ( 0.000 -6.611 -6.325) 9.150 5.290 ( 0.000 -2.780 -9.155) 9.568 5.341 ( 0.000 0.428 -8.284) 8.295 5.474 ( 0.000 -1.153 -3.170) 3.373 5.595 ( 0.000 0.590 -3.031) 3.088 5.697 ( 0.000 0.272 -6.992) 6.997 5.922 ( 0.000 -4.715 1.381) 4.913 6.000 ( 0.000 -2.223 3.086) 3.803 6.009 ( 0.000 -1.616 5.111) 5.361 6.077 ( 0.000 0.692 -3.651) 3.716 6.229 ( 0.000 7.781 -4.418) 8.947 6.313 ( 0.000 -2.716 2.484) 3.681 6.450 ( 0.000 -0.949 13.524) 13.557 6.540 ( 0.000 -0.382 -1.095) 1.160 6.547 ( 0.000 5.726 -1.658) 5.962 6.743 ( 0.000 5.706 4.236) 7.106 6.820 ( 0.000 -1.741 -1.061) 2.039 6.993 ( 0.000 -1.397 0.012) 1.397 7.017 ( 0.000 0.336 2.137) 2.163 7.092 ( 0.000 -1.949 -1.649) 2.553 7.297 ( 0.000 -2.015 -1.888) 2.762 7.327 ( 0.000 7.753 12.183) 14.441 7.357 ( 0.000 -1.898 0.695) 2.021 7.522 ( 0.000 3.797 4.492) 5.882 7.612 ( 0.000 -0.655 -6.190) 6.225 7.637 ( 0.000 9.668 -4.601) 10.707 7.846 ( 0.000 -4.723 0.368) 4.737 7.847 ( 0.000 1.440 3.630) 3.905 7.925 ( 0.000 -2.337 4.358) 4.945 7.926 ( 0.000 3.852 -2.184) 4.428 8.182 ( 0.000 -2.256 -2.905) 3.678 8.234 ( 0.000 0.268 -4.418) 4.426 8.346 ( 0.000 -0.590 -4.603) 4.640 8.477 ( 0.000 2.311 -2.331) 3.283 8.505 ( 0.000 4.544 8.553) 9.686 8.697 ( 0.000 -0.752 1.569) 1.740 8.842 ( 0.000 1.269 2.967) 3.226 9.059 ( 0.000 -0.246 -6.986) 6.990 9.246 ( 0.000 4.368 -0.539) 4.401 9.504 ( 0.000 -6.762 -6.247) 9.206 9.658 ( 0.000 -2.042 -0.445) 2.090 9.711 ( 0.000 -3.842 5.907) 7.046 9.920 ( 0.000 4.140 6.003) 7.292 10.074 ( 0.000 5.407 2.073) 5.791 10.264 ( 0.000 -1.407 0.539) 1.507 10.397 ( 0.000 -0.694 3.813) 3.876 10.744 ( 0.000 -0.174 -2.333) 2.339 12.218 ( 0.000 -21.544 -9.963) 23.736 16.488 ( 0.000 -0.829 1.240) 1.492 16.568 ( 0.000 2.702 1.775) 3.233 17.193 ( 0.000 -1.687 2.057) 2.660 17.213 ( 0.000 -0.453 -1.641) 1.703 17.248 ( 0.000 -0.567 4.833) 4.866 17.499 ( 0.000 1.300 -1.455) 1.952 17.684 ( 0.000 -1.723 -3.938) 4.298 17.776 ( 0.000 -0.361 -2.520) 2.546 17.805 ( 0.000 -1.546 -3.307) 3.651 18.004 ( 0.000 -2.891 -7.181) 7.741 18.138 ( 0.000 -2.128 -6.252) 6.605 18.206 ( 0.000 -1.954 -4.490) 4.897 20.788 ( 0.000 1.196 0.061) 1.198 20.987 ( 0.000 7.859 -2.051) 8.123 21.660 ( 0.000 -1.253 -0.128) 1.259 21.753 ( 0.000 -0.903 0.374) 0.977 22.116 ( 0.000 -0.023 -0.043) 0.049 22.286 ( 0.000 -0.046 -1.744) 1.744 26.698 ( 0.000 -0.429 0.384) 0.576 26.785 ( 0.000 1.706 0.474) 1.771 27.171 ( 0.000 -0.005 2.349) 2.349 27.297 ( 0.000 -0.935 0.183) 0.952 27.341 ( 0.000 0.764 1.322) 1.527 27.462 ( 0.000 0.536 0.712) 0.892 34.732 ( 0.000 -0.068 0.766) 0.769 34.839 ( 0.000 -0.833 -0.427) 0.936 36.162 ( 0.000 -0.257 -2.998) 3.009 36.745 ( 0.000 -17.168 0.922) 17.193 36.927 ( 0.000 5.279 -6.312) 8.228 37.473 ( 0.000 14.998 -13.782) 20.369 37.787 ( 0.000 -3.050 -1.669) 3.477 38.084 ( 0.000 7.144 3.175) 7.818 38.681 ( 0.000 -7.483 1.628) 7.658 38.753 ( 0.000 0.068 11.530) 11.530 38.988 ( 0.000 -0.364 18.555) 18.559 40.322 ( 0.000 -12.340 4.550) 13.152 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 25.298 3.056 11.123) 27.804 1.684 ( 20.599 10.417 19.584) 30.272 1.948 ( 27.855 9.092 14.063) 32.501 2.536 ( -3.380 -8.450 13.927) 16.637 2.954 ( -6.233 11.212 19.351) 23.217 3.038 ( -3.752 13.863 24.730) 28.598 3.288 ( -12.469 8.915 6.189) 16.530 3.453 ( 7.648 6.335 13.474) 16.738 3.572 ( -1.248 -3.494 1.669) 4.068 3.776 ( -3.897 4.914 -2.227) 6.655 3.931 ( 7.908 2.862 14.855) 17.071 4.053 ( -0.913 4.206 -0.793) 4.376 4.266 ( 4.154 4.401 2.337) 6.488 4.394 ( 6.732 1.168 4.769) 8.333 4.513 ( -1.839 6.452 5.399) 8.611 4.586 ( 1.163 4.049 1.847) 4.600 4.876 ( 2.169 -2.788 -1.104) 3.701 4.983 ( 3.491 3.065 1.170) 4.791 5.198 ( 1.297 -5.155 -4.695) 7.093 5.275 ( -0.999 -2.633 -7.192) 7.723 5.366 ( 0.992 -3.795 -8.330) 9.208 5.461 ( -0.270 -0.360 -4.545) 4.567 5.627 ( 2.658 0.372 0.401) 2.714 5.704 ( 0.595 0.988 -5.671) 5.787 5.887 ( -3.020 -5.839 -2.862) 7.170 5.953 ( -3.946 -0.754 6.743) 7.849 6.019 ( 0.656 -1.318 2.313) 2.742 6.101 ( 0.802 0.027 0.052) 0.804 6.165 ( -6.879 -0.014 -3.278) 7.620 6.280 ( -1.821 5.638 1.063) 6.020 6.377 ( -3.988 0.223 4.202) 5.797 6.525 ( -1.659 6.384 -1.131) 6.692 6.608 ( 3.227 0.567 -0.895) 3.396 6.706 ( 0.009 -3.440 5.454) 6.448 6.848 ( -6.183 -2.692 5.821) 8.908 6.932 ( 3.188 0.930 0.105) 3.323 7.033 ( -4.165 1.522 -1.515) 4.687 7.080 ( -0.126 -1.220 -1.236) 1.742 7.220 ( -2.196 4.875 3.347) 6.308 7.302 ( 0.077 1.080 -0.687) 1.283 7.415 ( 1.264 -0.059 1.370) 1.865 7.523 ( -0.232 8.046 1.999) 8.294 7.562 ( 0.827 2.118 -0.568) 2.343 7.682 ( -3.925 1.783 -0.636) 4.358 7.823 ( -1.079 0.097 5.805) 5.906 7.881 ( 5.274 -5.857 1.418) 8.008 7.929 ( 1.788 -3.032 1.193) 3.716 8.059 ( 3.493 -0.234 -8.629) 9.312 8.133 ( -3.819 2.448 -0.146) 4.538 8.209 ( 1.946 0.696 -6.565) 6.883 8.358 ( 2.259 1.923 -0.881) 3.095 8.526 ( 4.297 2.631 -5.118) 7.182 8.555 ( 3.895 1.193 6.815) 7.940 8.716 ( 2.244 -1.527 4.119) 4.933 8.833 ( -1.085 1.262 3.369) 3.758 9.075 ( 1.338 -0.881 -6.844) 7.029 9.216 ( -3.556 3.508 -0.809) 5.060 9.448 ( -8.978 -1.979 -0.656) 9.217 9.573 ( -1.914 -5.967 -0.436) 6.282 9.737 ( 0.703 -3.566 1.328) 3.869 9.905 ( -1.001 5.136 2.839) 5.953 10.041 ( -2.610 5.560 4.216) 7.449 10.249 ( -1.829 -0.214 2.659) 3.234 10.273 ( -6.055 0.350 7.416) 9.580 11.043 ( 22.584 -3.313 -5.660) 23.517 12.107 ( -10.842 -17.688 -10.021) 23.040 16.494 ( 0.483 -0.939 1.396) 1.750 16.575 ( 0.629 2.420 1.666) 3.005 17.167 ( -1.597 -0.870 2.178) 2.837 17.197 ( -1.245 0.152 -1.050) 1.636 17.287 ( 2.657 -1.502 4.160) 5.160 17.470 ( -2.524 1.192 0.032) 2.792 17.710 ( 1.818 -1.131 -5.744) 6.130 17.744 ( -1.538 -0.804 -4.468) 4.793 17.858 ( 4.004 -1.256 -1.000) 4.314 18.004 ( -0.003 -3.363 -7.053) 7.814 18.122 ( -1.506 -1.944 -6.446) 6.899 18.166 ( -3.554 -1.297 -3.416) 5.097 20.787 ( -0.006 1.201 0.059) 1.203 20.962 ( -2.025 7.606 -0.187) 7.874 21.657 ( -0.220 -1.509 -0.071) 1.527 21.729 ( -1.650 -0.125 1.178) 2.031 22.156 ( 3.228 -0.690 -1.471) 3.614 22.278 ( -0.771 -0.135 -1.793) 1.956 26.698 ( 0.070 -0.321 0.223) 0.397 26.777 ( -0.703 1.700 0.588) 1.931 27.171 ( 0.187 -0.078 2.253) 2.262 27.268 ( -2.274 -0.663 0.546) 2.430 27.364 ( 1.681 0.537 1.038) 2.047 27.453 ( -0.897 0.566 0.753) 1.301 34.854 ( 7.784 -2.655 -2.567) 8.615 34.886 ( 6.127 -1.092 -1.387) 6.376 36.221 ( 6.042 -3.403 -5.946) 9.135 36.729 ( -1.490 -16.668 -0.911) 16.759 36.945 ( 1.874 7.129 -7.225) 10.321 37.414 ( -5.760 13.458 -12.264) 19.098 37.807 ( 1.802 -2.148 -2.410) 3.697 38.070 ( -1.341 6.641 3.729) 7.733 38.669 ( -0.940 -6.829 2.030) 7.186 38.744 ( -0.737 0.277 10.190) 10.220 39.035 ( 4.379 -2.349 19.787) 20.401 40.120 ( -17.552 -3.567 12.248) 21.698 ======================= Grid point 12 (9/75) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 17.583 5.345 18.244) 25.895 2.168 ( 9.200 -0.091 4.569) 10.273 2.314 ( 10.559 8.387 21.305) 25.214 2.489 ( 5.818 -3.417 10.601) 12.566 2.749 ( -13.840 3.517 10.501) 17.725 2.925 ( -7.714 3.000 5.076) 9.709 3.220 ( 5.684 12.875 11.976) 18.479 3.396 ( -11.494 5.484 3.764) 13.280 3.667 ( 8.854 5.591 9.373) 14.054 3.852 ( 9.224 1.273 5.225) 10.678 3.998 ( -1.335 4.397 0.307) 4.605 4.101 ( 5.357 2.207 10.925) 12.366 4.213 ( -6.762 5.068 7.805) 11.503 4.423 ( -4.180 8.660 10.293) 14.086 4.526 ( 3.358 0.603 1.850) 3.881 4.610 ( 0.496 3.370 0.763) 3.491 4.979 ( 4.706 0.875 -1.106) 4.912 5.038 ( -0.002 3.290 1.964) 3.831 5.217 ( 2.167 -1.375 -4.183) 4.908 5.284 ( 3.161 -2.763 -2.880) 5.091 5.372 ( 0.161 -5.327 -3.321) 6.279 5.460 ( -0.327 -1.257 -7.628) 7.737 5.631 ( -3.690 -1.782 2.959) 5.054 5.717 ( 0.221 1.200 -0.654) 1.384 5.839 ( 0.339 -1.975 -4.438) 4.870 5.900 ( -1.059 -5.448 -0.028) 5.550 5.976 ( -6.355 0.633 -1.111) 6.483 6.022 ( -1.316 -5.200 0.264) 5.370 6.173 ( 2.657 2.100 1.804) 3.837 6.264 ( 2.669 3.458 -3.131) 5.375 6.368 ( 0.032 5.556 1.736) 5.821 6.442 ( -6.992 -0.732 2.502) 7.462 6.610 ( -0.202 4.060 1.130) 4.219 6.655 ( -3.542 -1.964 4.931) 6.381 6.830 ( 1.408 -1.518 3.473) 4.043 6.932 ( -2.555 1.057 -1.549) 3.169 7.015 ( 3.583 -1.720 -4.567) 6.054 7.102 ( 2.069 2.134 0.214) 2.980 7.201 ( -1.795 4.387 -2.037) 5.159 7.290 ( -1.010 3.510 2.569) 4.465 7.375 ( -3.199 -1.616 1.276) 3.804 7.508 ( -0.531 0.517 4.384) 4.446 7.610 ( 2.342 3.846 -3.331) 5.601 7.703 ( 3.430 1.899 0.597) 3.966 7.783 ( -0.043 0.251 3.741) 3.749 7.875 ( -4.670 -4.393 -0.301) 6.418 7.965 ( 0.521 -3.348 2.082) 3.977 8.042 ( -1.099 0.393 -1.453) 1.864 8.081 ( -1.114 0.869 -4.693) 4.901 8.244 ( 0.007 3.116 -5.116) 5.990 8.513 ( 8.868 0.657 -3.879) 9.701 8.582 ( 1.358 0.844 0.138) 1.605 8.638 ( 5.411 1.302 1.727) 5.827 8.747 ( -2.365 -0.685 3.108) 3.965 8.837 ( 4.912 -0.834 5.614) 7.506 9.011 ( -10.498 -2.900 0.209) 10.893 9.176 ( 2.800 2.429 -4.826) 6.085 9.278 ( -6.562 2.805 -0.651) 7.166 9.577 ( 0.556 -6.152 -0.649) 6.211 9.741 ( -0.032 -4.303 -0.319) 4.315 9.903 ( 0.860 6.083 2.425) 6.605 9.986 ( -2.857 4.765 6.575) 8.608 10.202 ( -0.894 0.805 7.450) 7.546 10.221 ( -1.629 1.117 6.340) 6.641 11.465 ( 20.668 -7.390 -8.842) 23.663 11.843 ( -16.261 -11.257 -10.501) 22.392 16.502 ( 0.245 -0.977 1.627) 1.913 16.585 ( 0.275 2.133 1.892) 2.864 17.149 ( -0.302 -0.476 0.767) 0.952 17.173 ( -0.944 0.599 0.202) 1.136 17.332 ( 1.904 -1.528 3.763) 4.486 17.420 ( -2.182 1.023 2.316) 3.343 17.722 ( -0.175 -1.073 -6.163) 6.258 17.740 ( 0.551 0.125 -6.939) 6.962 17.941 ( 4.064 -2.540 -1.769) 5.108 18.002 ( -0.486 -3.955 -4.657) 6.129 18.093 ( -1.609 -1.654 -5.863) 6.301 18.098 ( -2.502 -0.257 -3.951) 4.684 20.787 ( -0.001 1.212 0.051) 1.213 20.931 ( -0.916 7.001 1.618) 7.243 21.653 ( -0.149 -1.874 0.009) 1.880 21.709 ( -0.513 0.501 1.277) 1.464 22.210 ( 2.191 -1.038 -2.102) 3.208 22.258 ( -1.249 -0.256 -1.981) 2.356 26.702 ( 0.237 -0.499 -0.253) 0.608 26.764 ( -0.471 1.890 0.729) 2.080 27.186 ( 1.454 -0.324 1.664) 2.233 27.223 ( -2.325 -0.528 0.991) 2.582 27.395 ( 1.464 0.392 0.882) 1.754 27.431 ( -1.238 0.701 0.879) 1.672 34.949 ( 3.683 -2.623 -1.891) 4.901 34.997 ( 2.287 -2.486 -3.123) 4.601 36.349 ( 5.300 -10.983 -9.711) 15.589 36.698 ( -1.321 -15.464 -4.742) 16.229 36.995 ( 2.777 13.004 -12.394) 18.177 37.291 ( -5.464 10.016 -7.229) 13.507 37.839 ( 1.155 -1.201 -3.580) 3.948 38.043 ( -1.017 5.761 5.001) 7.696 38.656 ( -0.312 -6.058 1.179) 6.180 38.731 ( -0.497 0.570 9.798) 9.827 39.124 ( 3.755 -7.380 21.842) 23.359 39.823 ( -10.241 9.222 19.310) 23.723 ======================= Grid point 15 (10/75) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 0.000 1.533 -0.266) 1.555 2.176 ( 0.000 11.851 26.869) 29.366 2.227 ( 0.000 15.823 27.045) 31.334 2.690 ( 0.000 -9.039 10.409) 13.786 3.191 ( 0.000 2.896 -2.099) 3.577 3.415 ( 0.000 -10.216 2.808) 10.595 3.494 ( 0.000 3.495 -2.741) 4.442 3.611 ( 0.000 10.425 4.151) 11.221 3.737 ( 0.000 13.355 10.226) 16.821 3.952 ( 0.000 1.664 0.810) 1.851 3.974 ( 0.000 3.019 4.037) 5.041 4.151 ( 0.000 1.398 -3.867) 4.112 4.377 ( 0.000 0.012 4.039) 4.039 4.488 ( 0.000 1.588 13.787) 13.878 4.568 ( 0.000 9.839 15.686) 18.516 4.768 ( 0.000 2.816 3.289) 4.330 4.937 ( 0.000 5.125 11.012) 12.146 5.029 ( 0.000 0.752 3.099) 3.189 5.049 ( 0.000 -2.616 -3.242) 4.166 5.113 ( 0.000 -3.508 -5.906) 6.870 5.216 ( 0.000 2.676 -2.971) 3.999 5.414 ( 0.000 -0.193 -1.330) 1.344 5.519 ( 0.000 -4.683 -2.750) 5.431 5.633 ( 0.000 4.787 -2.710) 5.501 5.828 ( 0.000 -1.980 -5.276) 5.636 6.009 ( 0.000 1.351 0.915) 1.632 6.057 ( 0.000 -2.542 0.566) 2.604 6.122 ( 0.000 1.723 4.797) 5.097 6.268 ( 0.000 -0.022 4.705) 4.705 6.388 ( 0.000 4.473 1.181) 4.627 6.429 ( 0.000 -3.624 -3.993) 5.392 6.579 ( 0.000 5.929 1.854) 6.212 6.661 ( 0.000 -5.520 5.786) 7.996 6.811 ( 0.000 0.786 1.826) 1.988 6.845 ( 0.000 3.602 1.803) 4.028 6.938 ( 0.000 -5.059 -2.570) 5.674 7.074 ( 0.000 0.733 3.231) 3.314 7.118 ( 0.000 1.452 4.426) 4.658 7.198 ( 0.000 -1.957 -5.314) 5.663 7.332 ( 0.000 -0.246 -0.444) 0.508 7.500 ( 0.000 7.339 -3.272) 8.036 7.545 ( 0.000 0.634 -1.753) 1.864 7.596 ( 0.000 2.102 0.218) 2.113 7.662 ( 0.000 2.584 2.440) 3.554 7.786 ( 0.000 -7.192 -2.511) 7.618 7.815 ( 0.000 1.584 -7.964) 8.120 7.958 ( 0.000 -2.237 4.400) 4.936 7.991 ( 0.000 -2.544 2.653) 3.676 8.068 ( 0.000 -2.235 -5.255) 5.710 8.301 ( 0.000 5.646 4.872) 7.457 8.341 ( 0.000 3.791 7.680) 8.565 8.474 ( 0.000 5.910 -0.867) 5.973 8.558 ( 0.000 -4.300 -6.791) 8.037 8.693 ( 0.000 -4.257 0.359) 4.273 8.935 ( 0.000 2.200 1.781) 2.831 9.031 ( 0.000 0.522 4.504) 4.534 9.279 ( 0.000 3.466 0.230) 3.473 9.382 ( 0.000 -6.248 4.266) 7.566 9.607 ( 0.000 -2.039 -3.996) 4.486 9.722 ( 0.000 -3.632 1.414) 3.898 10.072 ( 0.000 4.469 5.315) 6.945 10.103 ( 0.000 5.702 -5.709) 8.069 10.265 ( 0.000 -1.833 1.254) 2.221 10.516 ( 0.000 2.766 10.339) 10.703 10.672 ( 0.000 -0.807 -5.507) 5.566 11.778 ( 0.000 -17.269 -18.532) 25.330 16.498 ( 0.000 -0.401 0.664) 0.776 16.623 ( 0.000 1.849 1.753) 2.548 17.172 ( 0.000 -1.818 -1.279) 2.223 17.224 ( 0.000 -0.198 2.202) 2.211 17.340 ( 0.000 0.220 5.765) 5.769 17.455 ( 0.000 0.527 -4.131) 4.164 17.586 ( 0.000 -1.069 -4.901) 5.016 17.722 ( 0.000 -1.019 -3.515) 3.660 17.759 ( 0.000 -1.705 -0.485) 1.772 17.893 ( 0.000 -1.469 -2.681) 3.057 18.004 ( 0.000 -1.616 -6.641) 6.835 18.108 ( 0.000 -1.420 -4.653) 4.865 20.800 ( 0.000 0.966 0.084) 0.969 21.029 ( 0.000 4.994 -0.512) 5.020 21.638 ( 0.000 -1.703 -0.557) 1.791 21.756 ( 0.000 -0.017 0.368) 0.369 22.115 ( 0.000 -0.020 -0.038) 0.042 22.259 ( 0.000 -0.020 -1.259) 1.260 26.698 ( 0.000 -0.463 0.125) 0.480 26.814 ( 0.000 1.705 0.792) 1.880 27.212 ( 0.000 -0.036 2.251) 2.251 27.288 ( 0.000 -0.898 -0.170) 0.914 27.372 ( 0.000 0.738 1.266) 1.465 27.478 ( 0.000 0.530 0.475) 0.712 34.740 ( 0.000 -0.342 0.413) 0.536 34.821 ( 0.000 -0.810 -0.555) 0.982 36.103 ( 0.000 -0.928 -3.015) 3.154 36.580 ( 0.000 -11.677 -1.928) 11.835 36.885 ( 0.000 3.567 -3.680) 5.125 37.468 ( 0.000 12.141 -4.206) 12.849 37.727 ( 0.000 -2.567 -1.778) 3.122 38.225 ( 0.000 9.433 3.574) 10.087 38.618 ( 0.000 -9.415 0.594) 9.434 38.897 ( 0.000 -1.007 6.197) 6.279 39.283 ( 0.000 -0.046 15.009) 15.010 40.271 ( 0.000 -5.567 -0.163) 5.570 ======================= Grid point 16 (11/75) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 27.605 -1.133 -2.731) 27.763 2.222 ( 5.173 10.402 23.599) 26.304 2.445 ( 18.485 12.979 22.278) 31.724 2.656 ( -2.496 -8.492 11.562) 14.561 3.100 ( -8.820 1.987 0.139) 9.042 3.363 ( -9.449 2.946 7.851) 12.633 3.489 ( 0.482 1.356 0.591) 1.556 3.588 ( 0.899 7.131 5.185) 8.862 3.767 ( -5.721 4.268 -4.762) 8.581 3.809 ( 2.836 6.262 10.248) 12.340 4.031 ( -0.726 0.737 -1.917) 2.179 4.259 ( 5.920 2.058 -0.478) 6.286 4.387 ( 2.344 3.395 10.495) 11.277 4.521 ( 0.391 -5.014 -0.635) 5.069 4.608 ( 4.745 9.997 15.901) 19.373 4.778 ( 1.135 8.401 8.341) 11.893 4.886 ( -0.684 0.206 7.860) 7.893 5.010 ( -0.879 1.154 -4.924) 5.134 5.118 ( 0.980 -1.789 -4.763) 5.181 5.144 ( 3.706 -4.063 -4.802) 7.301 5.197 ( 1.570 1.548 2.583) 3.396 5.465 ( 5.489 1.735 3.734) 6.862 5.603 ( 4.388 -2.518 -2.211) 5.521 5.647 ( 3.503 3.404 -1.538) 5.121 5.786 ( -3.371 -1.844 -4.769) 6.124 5.985 ( -1.907 -3.769 0.618) 4.269 6.054 ( -1.477 2.487 1.428) 3.226 6.132 ( -0.703 0.059 3.922) 3.985 6.247 ( -4.029 3.662 8.724) 10.284 6.315 ( -4.774 0.925 -2.331) 5.392 6.412 ( -1.890 1.118 -0.352) 2.224 6.573 ( -1.922 1.427 -0.348) 2.419 6.608 ( -5.075 2.980 3.038) 6.623 6.725 ( 3.024 -5.078 1.673) 6.143 6.883 ( -1.672 -1.973 0.864) 2.727 6.986 ( -0.644 0.970 -0.175) 1.178 7.029 ( -4.260 0.975 5.321) 6.885 7.115 ( 0.970 0.759 1.493) 1.936 7.221 ( 1.479 -0.685 -5.854) 6.077 7.284 ( -1.237 0.335 1.619) 2.065 7.468 ( -1.568 4.066 1.321) 4.553 7.551 ( -2.524 1.640 -2.451) 3.881 7.616 ( 0.078 4.168 0.580) 4.209 7.672 ( 2.891 0.188 -2.120) 3.589 7.791 ( 1.237 -6.347 -3.618) 7.410 7.862 ( 1.603 -0.559 -4.308) 4.630 7.947 ( 0.336 -3.962 -1.244) 4.166 8.005 ( -2.249 0.783 3.415) 4.164 8.093 ( 1.966 0.044 -1.349) 2.385 8.218 ( 0.388 5.064 7.111) 8.739 8.396 ( 0.007 2.172 2.560) 3.358 8.455 ( 0.819 2.547 -4.956) 5.633 8.597 ( 2.602 -1.876 -2.866) 4.301 8.730 ( 3.232 -6.012 -0.865) 6.880 8.949 ( 0.946 3.741 0.719) 3.925 9.021 ( -0.886 -0.892 3.664) 3.874 9.233 ( -4.027 0.899 2.531) 4.841 9.386 ( -2.061 -1.499 1.054) 2.758 9.552 ( -2.276 -4.029 1.322) 4.812 9.729 ( 0.042 -2.491 2.102) 3.260 10.003 ( -2.232 7.449 0.150) 7.778 10.142 ( 1.032 4.013 2.251) 4.716 10.279 ( 0.875 -0.925 2.077) 2.436 10.442 ( -5.274 3.395 10.683) 12.388 10.861 ( 15.557 -4.250 -10.745) 19.379 11.691 ( -8.791 -15.712 -18.511) 25.822 16.506 ( 0.707 -0.490 0.827) 1.193 16.624 ( 0.115 1.676 1.488) 2.244 17.162 ( -0.915 -1.649 -0.825) 2.059 17.213 ( -0.944 0.300 2.156) 2.372 17.359 ( 1.609 -0.177 4.877) 5.138 17.446 ( -0.759 0.147 -3.281) 3.370 17.601 ( 1.255 -0.497 -5.326) 5.494 17.680 ( -2.440 -0.356 -2.163) 3.280 17.808 ( 2.966 -2.530 -2.804) 4.802 17.892 ( -0.005 -1.879 -2.916) 3.468 17.998 ( -0.493 -1.148 -5.460) 5.602 18.088 ( -1.878 -1.261 -3.844) 4.460 20.800 ( -0.004 0.968 0.086) 0.971 21.022 ( -0.601 5.078 0.009) 5.114 21.636 ( -0.206 -1.778 -0.435) 1.842 21.746 ( -0.827 0.212 0.681) 1.092 22.136 ( 1.962 -0.235 -0.540) 2.048 22.250 ( -0.902 -0.068 -1.283) 1.569 26.697 ( -0.122 -0.422 0.061) 0.443 26.807 ( -0.596 1.718 0.821) 1.995 27.209 ( -0.169 -0.103 2.146) 2.155 27.267 ( -1.725 -0.709 0.176) 1.873 27.389 ( 1.420 0.628 1.073) 1.887 27.470 ( -0.790 0.552 0.524) 1.097 34.805 ( 5.463 -1.532 -1.003) 5.762 34.862 ( 4.008 -0.877 -0.719) 4.165 36.117 ( 1.497 -2.197 -3.554) 4.439 36.553 ( -2.484 -10.471 -2.534) 11.055 36.906 ( 2.110 4.538 -4.013) 6.415 37.411 ( -5.359 10.302 -3.482) 12.123 37.743 ( 1.349 -1.910 -2.404) 3.353 38.216 ( -0.883 9.145 3.964) 10.006 38.609 ( -0.738 -9.336 0.634) 9.387 38.896 ( -0.153 0.040 6.644) 6.646 39.306 ( 2.111 -2.032 13.952) 14.256 40.206 ( -5.954 -2.247 2.822) 6.961 ======================= Grid point 17 (12/75) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 21.557 -2.459 -1.382) 21.741 2.331 ( 3.745 5.034 11.115) 12.764 2.573 ( 0.164 -7.958 11.898) 14.315 2.801 ( 1.614 7.664 10.423) 13.038 2.892 ( -1.810 4.992 13.557) 14.560 3.181 ( -7.390 5.804 12.574) 15.697 3.454 ( -3.031 9.913 4.338) 11.237 3.570 ( -3.992 9.294 6.274) 11.903 3.727 ( 3.860 -0.260 1.315) 4.086 3.899 ( 1.573 -2.110 -1.129) 2.864 4.021 ( 1.323 2.368 -1.298) 3.008 4.267 ( -2.386 2.034 0.294) 3.149 4.443 ( 1.262 0.527 5.601) 5.765 4.514 ( 0.353 0.172 1.391) 1.445 4.683 ( 1.827 7.509 10.510) 13.046 4.783 ( -0.658 7.869 2.267) 8.215 4.933 ( 3.730 -1.586 -1.156) 4.215 5.008 ( -0.568 0.770 -2.805) 2.963 5.127 ( 1.945 -2.721 -4.161) 5.338 5.197 ( -1.131 0.799 -1.667) 2.168 5.324 ( 13.521 -1.817 6.767) 15.228 5.529 ( -2.343 1.609 4.434) 5.267 5.680 ( -0.139 -0.609 1.211) 1.363 5.708 ( 4.436 0.929 1.554) 4.791 5.771 ( 3.082 1.240 -2.034) 3.895 5.910 ( -10.018 -1.735 2.014) 10.365 5.968 ( -2.214 -3.631 2.801) 5.093 6.032 ( -4.003 4.046 5.886) 8.188 6.225 ( 1.656 0.758 3.654) 4.083 6.263 ( -2.298 4.135 -1.115) 4.860 6.409 ( 1.442 2.243 -0.601) 2.733 6.494 ( -3.779 -2.118 3.139) 5.350 6.577 ( -0.531 4.387 -2.206) 4.939 6.799 ( 3.350 -2.529 1.100) 4.339 6.843 ( -2.463 -0.442 6.525) 6.989 6.933 ( -4.663 2.227 0.532) 5.195 6.968 ( 1.474 0.633 0.117) 1.608 7.138 ( 1.735 0.129 1.281) 2.160 7.191 ( -3.884 2.906 -3.329) 5.883 7.302 ( 0.012 -4.683 -1.746) 4.998 7.420 ( -1.656 0.096 2.781) 3.238 7.557 ( 2.171 2.092 -2.111) 3.680 7.592 ( -0.722 2.827 0.587) 2.976 7.737 ( 2.503 2.034 -0.009) 3.226 7.799 ( -1.271 -2.499 -2.378) 3.677 7.864 ( 0.386 -2.925 -3.374) 4.482 7.927 ( -3.287 2.392 4.963) 6.416 7.951 ( -0.315 -0.449 -7.412) 7.432 8.136 ( 1.954 1.783 6.500) 7.018 8.229 ( -1.333 1.851 1.363) 2.657 8.456 ( 4.027 -0.201 -2.042) 4.520 8.487 ( 2.747 -0.449 -7.356) 7.865 8.639 ( 1.671 -2.793 -2.542) 4.130 8.774 ( 0.715 -6.933 -1.454) 7.119 8.913 ( -3.400 0.434 -0.446) 3.456 9.047 ( 2.760 0.625 -4.192) 5.057 9.154 ( -3.204 -0.028 12.902) 13.294 9.309 ( -3.492 4.363 0.721) 5.635 9.560 ( 1.243 -3.166 3.569) 4.930 9.722 ( -0.417 -2.860 3.853) 4.817 10.007 ( 1.618 7.306 1.869) 7.713 10.140 ( -1.029 4.169 6.115) 7.472 10.297 ( 1.432 0.553 3.434) 3.762 10.348 ( -4.057 2.629 7.529) 8.947 11.174 ( 16.436 -8.376 -15.738) 24.249 11.470 ( -13.935 -12.344 -18.420) 26.189 16.519 ( 0.467 -0.563 1.223) 1.425 16.626 ( 0.043 1.331 0.970) 1.647 17.146 ( -0.554 -1.326 -0.071) 1.439 17.198 ( -0.486 0.804 1.594) 1.850 17.388 ( 1.209 -0.412 3.640) 3.857 17.431 ( -0.720 -0.349 -1.717) 1.894 17.623 ( 0.917 0.189 -5.597) 5.675 17.645 ( -1.180 0.178 -2.236) 2.534 17.842 ( 0.608 -2.850 -4.493) 5.356 17.898 ( 0.436 -3.064 -4.968) 5.854 18.002 ( 1.383 -0.474 -2.433) 2.839 18.044 ( -2.589 -0.942 -2.249) 3.556 20.800 ( -0.001 0.971 0.087) 0.975 21.012 ( -0.346 5.179 0.764) 5.246 21.632 ( -0.131 -1.888 -0.232) 1.906 21.733 ( -0.393 0.469 0.923) 1.107 22.176 ( 1.899 -0.501 -1.073) 2.238 22.227 ( -1.353 -0.114 -1.342) 1.910 26.695 ( -0.041 -0.419 -0.077) 0.427 26.797 ( -0.372 1.757 0.821) 1.975 27.212 ( 0.616 -0.300 1.584) 1.726 27.234 ( -1.552 -0.466 0.870) 1.839 27.416 ( 1.214 0.518 0.921) 1.610 27.451 ( -0.995 0.636 0.624) 1.336 34.891 ( 2.769 -2.400 -1.644) 4.016 34.939 ( 2.763 -1.536 -1.681) 3.580 36.151 ( 1.510 -5.548 -4.761) 7.465 36.506 ( -1.828 -7.725 -3.637) 8.731 36.951 ( 2.004 7.497 -5.375) 9.440 37.307 ( -4.090 6.763 -1.703) 8.085 37.765 ( 0.748 -1.421 -3.174) 3.557 38.199 ( -0.602 8.648 4.616) 9.821 38.597 ( -0.387 -9.066 0.635) 9.097 38.893 ( -0.095 1.463 7.280) 7.427 39.345 ( 1.482 -5.739 12.079) 13.455 40.100 ( -3.720 3.493 7.499) 9.070 ======================= Grid point 20 (13/75) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.000 0.461 -0.290) 0.545 2.621 ( 0.000 5.642 12.035) 13.292 2.762 ( 0.000 -5.201 5.677) 7.699 2.772 ( 0.000 10.846 18.809) 21.712 3.197 ( 0.000 3.961 0.585) 4.004 3.268 ( 0.000 -6.589 -8.612) 10.844 3.469 ( 0.000 -1.248 -0.964) 1.576 3.617 ( 0.000 -1.280 -9.622) 9.707 3.796 ( 0.000 2.769 1.289) 3.054 4.062 ( 0.000 -0.471 1.399) 1.476 4.128 ( 0.000 5.498 7.194) 9.055 4.140 ( 0.000 2.962 1.783) 3.458 4.418 ( 0.000 0.667 0.308) 0.734 4.460 ( 0.000 -2.641 -1.039) 2.838 4.758 ( 0.000 -2.812 -1.571) 3.221 4.804 ( 0.000 4.212 -1.300) 4.408 4.937 ( 0.000 -4.473 -2.996) 5.384 4.985 ( 0.000 -0.891 -1.685) 1.906 5.085 ( 0.000 1.043 2.464) 2.676 5.214 ( 0.000 1.673 -3.227) 3.635 5.366 ( 0.000 2.314 8.704) 9.006 5.490 ( 0.000 -2.863 7.666) 8.184 5.564 ( 0.000 5.452 9.835) 11.245 5.636 ( 0.000 3.097 -3.965) 5.031 5.839 ( 0.000 7.655 6.831) 10.260 6.014 ( 0.000 -0.272 -2.061) 2.079 6.053 ( 0.000 2.117 2.977) 3.653 6.205 ( 0.000 0.744 0.582) 0.945 6.258 ( 0.000 -7.217 -1.643) 7.402 6.400 ( 0.000 2.733 5.255) 5.924 6.459 ( 0.000 4.808 0.212) 4.813 6.604 ( 0.000 -8.947 -3.278) 9.528 6.627 ( 0.000 -3.134 -5.463) 6.298 6.752 ( 0.000 -0.808 -6.297) 6.349 6.827 ( 0.000 3.130 3.187) 4.467 6.967 ( 0.000 3.077 2.586) 4.019 7.078 ( 0.000 -0.593 1.131) 1.277 7.214 ( 0.000 -1.055 5.477) 5.578 7.234 ( 0.000 1.447 2.132) 2.577 7.402 ( 0.000 3.748 7.256) 8.167 7.438 ( 0.000 0.917 -7.647) 7.702 7.534 ( 0.000 -0.458 -1.033) 1.130 7.603 ( 0.000 -3.655 -3.688) 5.192 7.677 ( 0.000 2.538 2.628) 3.654 7.702 ( 0.000 -0.766 -5.029) 5.087 7.709 ( 0.000 1.196 0.583) 1.331 7.841 ( 0.000 -2.344 -7.200) 7.572 7.890 ( 0.000 -6.714 -6.230) 9.159 8.096 ( 0.000 -0.142 3.073) 3.076 8.341 ( 0.000 -2.526 -3.935) 4.676 8.449 ( 0.000 -0.160 4.704) 4.707 8.553 ( 0.000 5.837 -2.179) 6.230 8.604 ( 0.000 6.757 8.648) 10.975 8.647 ( 0.000 -3.547 1.120) 3.719 8.946 ( 0.000 -0.799 -0.497) 0.941 9.082 ( 0.000 0.779 2.710) 2.820 9.319 ( 0.000 1.253 1.151) 1.701 9.436 ( 0.000 1.131 -5.857) 5.966 9.550 ( 0.000 -7.493 8.719) 11.497 9.710 ( 0.000 -1.139 0.126) 1.146 10.028 ( 0.000 4.218 -6.531) 7.775 10.183 ( 0.000 2.990 3.203) 4.382 10.262 ( 0.000 -2.095 0.221) 2.106 10.567 ( 0.000 -0.617 -4.303) 4.347 10.820 ( 0.000 9.211 17.878) 20.111 11.278 ( 0.000 -14.000 -21.137) 25.354 16.503 ( 0.000 -0.107 0.221) 0.246 16.657 ( 0.000 0.643 0.718) 0.964 17.140 ( 0.000 -0.954 -0.653) 1.157 17.257 ( 0.000 0.019 1.308) 1.308 17.392 ( 0.000 -0.030 -1.719) 1.720 17.436 ( 0.000 0.591 2.967) 3.025 17.519 ( 0.000 -0.104 -1.984) 1.987 17.657 ( 0.000 -0.632 -2.140) 2.232 17.736 ( 0.000 -1.274 -0.529) 1.380 17.869 ( 0.000 -0.390 0.066) 0.395 17.906 ( 0.000 -0.316 -2.943) 2.960 18.035 ( 0.000 -0.553 -2.232) 2.299 20.808 ( 0.000 0.363 0.042) 0.365 21.059 ( 0.000 1.831 -0.032) 1.832 21.616 ( 0.000 -0.812 -0.328) 0.876 21.761 ( 0.000 0.083 0.170) 0.189 22.114 ( 0.000 -0.008 -0.015) 0.017 22.244 ( 0.000 0.005 -0.442) 0.442 26.696 ( 0.000 -0.194 0.022) 0.196 26.837 ( 0.000 0.719 0.387) 0.816 27.242 ( 0.000 -0.030 1.126) 1.126 27.276 ( 0.000 -0.368 -0.316) 0.485 27.393 ( 0.000 0.307 0.523) 0.607 27.487 ( 0.000 0.212 0.124) 0.246 34.740 ( 0.000 -0.280 0.022) 0.281 34.809 ( 0.000 -0.276 -0.200) 0.341 36.054 ( 0.000 -0.656 -1.352) 1.503 36.482 ( 0.000 -3.521 -0.762) 3.602 36.867 ( 0.000 1.315 -1.190) 1.774 37.513 ( 0.000 4.353 -0.741) 4.415 37.686 ( 0.000 -1.017 -0.733) 1.254 38.376 ( 0.000 10.086 2.505) 10.392 38.519 ( 0.000 -10.066 -0.846) 10.102 38.957 ( 0.000 -0.599 1.909) 2.001 39.471 ( 0.000 -0.003 6.054) 6.054 40.222 ( 0.000 -1.642 -0.983) 1.913 ======================= Grid point 21 (14/75) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 24.925 -0.250 -0.918) 24.943 2.598 ( -2.763 5.051 9.164) 10.823 2.691 ( -3.408 -4.524 4.874) 7.472 2.950 ( 12.055 7.959 17.503) 22.694 3.137 ( -3.848 2.583 1.339) 4.823 3.380 ( 8.120 -1.556 -6.271) 10.377 3.457 ( -1.521 -1.983 0.161) 2.504 3.624 ( 0.986 -0.792 -6.707) 6.825 3.791 ( -0.099 4.750 2.912) 5.573 3.960 ( -4.041 2.616 3.119) 5.736 4.030 ( -5.845 -0.823 0.992) 5.985 4.259 ( 2.910 2.017 0.285) 3.553 4.439 ( 2.269 0.362 -0.325) 2.321 4.496 ( 1.674 -1.566 -0.239) 2.305 4.762 ( -1.748 0.449 1.492) 2.341 4.826 ( -0.682 0.988 -1.365) 1.817 4.869 ( -1.684 -2.322 -4.395) 5.248 4.988 ( 3.781 -2.007 -2.174) 4.801 5.111 ( 1.883 0.455 1.928) 2.733 5.205 ( -1.147 2.318 -0.139) 2.590 5.396 ( 1.657 3.823 12.218) 12.909 5.536 ( 5.154 -1.322 3.816) 6.548 5.598 ( 2.108 1.492 1.984) 3.256 5.659 ( 1.514 0.298 -3.761) 4.065 5.804 ( -0.154 6.166 5.242) 8.094 5.980 ( -4.399 -1.011 3.707) 5.841 6.075 ( 1.716 3.436 -2.060) 4.358 6.183 ( -3.418 -1.999 -1.428) 4.209 6.273 ( 2.073 -1.041 1.356) 2.687 6.407 ( -3.652 2.299 4.300) 6.092 6.454 ( 1.881 3.020 5.021) 6.154 6.569 ( -1.570 -1.013 -3.975) 4.392 6.607 ( -3.080 -3.488 1.358) 4.847 6.719 ( 1.001 -1.482 -3.034) 3.522 6.881 ( 2.333 -0.549 -3.688) 4.399 6.940 ( -1.736 2.517 1.716) 3.507 7.089 ( 0.952 0.547 2.086) 2.357 7.158 ( -3.658 -1.249 5.080) 6.384 7.250 ( -1.163 1.427 3.222) 3.711 7.344 ( -3.179 4.064 3.878) 6.454 7.464 ( 0.319 -0.412 -3.861) 3.896 7.523 ( -1.741 -1.660 -4.663) 5.247 7.566 ( -3.211 -1.267 -4.942) 6.028 7.673 ( 0.495 -0.978 1.078) 1.537 7.698 ( 1.219 -0.493 -1.188) 1.772 7.767 ( 3.429 -0.833 -3.876) 5.242 7.806 ( 0.596 -1.182 -3.578) 3.815 7.990 ( 5.383 -2.424 -3.573) 6.900 8.143 ( 4.585 0.118 2.996) 5.478 8.350 ( 0.489 -0.627 -2.494) 2.618 8.412 ( -3.054 -1.043 3.895) 5.059 8.539 ( -1.245 5.107 0.622) 5.293 8.569 ( -2.615 3.199 6.519) 7.718 8.655 ( 0.064 -2.754 0.623) 2.824 8.915 ( -6.401 -2.265 -6.824) 9.627 9.018 ( -1.714 1.159 -0.262) 2.086 9.298 ( -0.830 -0.604 1.335) 1.684 9.437 ( -0.589 1.714 1.837) 2.581 9.580 ( 1.949 -3.976 5.885) 7.365 9.752 ( 3.301 -0.036 1.301) 3.548 10.045 ( 2.835 4.127 -1.298) 5.172 10.211 ( 1.894 1.928 2.162) 3.461 10.311 ( 4.284 -0.788 2.588) 5.067 10.589 ( 1.909 -0.933 -7.341) 7.643 10.775 ( -3.463 6.765 14.465) 16.340 11.205 ( -7.283 -12.858 -20.777) 25.496 16.513 ( 0.912 -0.119 0.300) 0.967 16.654 ( -0.360 0.583 0.597) 0.909 17.135 ( -0.411 -0.905 -0.568) 1.145 17.249 ( -0.860 0.152 1.337) 1.597 17.387 ( -0.424 -0.269 -1.804) 1.872 17.437 ( 0.223 0.527 2.444) 2.510 17.533 ( 1.223 -0.040 -2.051) 2.388 17.652 ( -0.359 -0.107 -0.904) 0.979 17.750 ( 1.125 -1.438 -1.146) 2.156 17.833 ( -2.509 -0.657 -2.118) 3.348 17.939 ( 2.165 -0.295 -0.923) 2.372 18.026 ( -0.755 -0.483 -1.889) 2.091 20.808 ( -0.000 0.364 0.042) 0.366 21.058 ( -0.123 1.870 0.070) 1.875 21.615 ( -0.066 -0.817 -0.263) 0.861 21.756 ( -0.499 0.130 0.248) 0.572 22.129 ( 1.455 -0.058 -0.142) 1.464 22.235 ( -0.951 -0.011 -0.447) 1.051 26.694 ( -0.159 -0.178 0.010) 0.239 26.831 ( -0.596 0.716 0.381) 1.007 27.237 ( -0.484 -0.078 1.038) 1.148 27.262 ( -1.171 -0.278 -0.134) 1.211 27.408 ( 1.242 0.280 0.459) 1.353 27.479 ( -0.708 0.221 0.148) 0.757 34.783 ( 3.988 -0.586 -0.331) 4.044 34.846 ( 3.474 -0.347 -0.279) 3.503 36.057 ( 0.333 -0.976 -1.384) 1.726 36.459 ( -2.125 -3.097 -0.845) 3.849 36.891 ( 2.355 1.616 -1.290) 3.134 37.450 ( -5.847 3.620 -0.574) 6.901 37.698 ( 0.998 -0.754 -0.998) 1.600 38.370 ( -0.664 10.039 2.677) 10.411 38.512 ( -0.617 -10.101 -0.859) 10.156 38.970 ( 1.236 -0.129 2.189) 2.517 39.460 ( -0.990 -0.781 5.245) 5.394 40.211 ( -1.008 -0.693 0.093) 1.227 ======================= Grid point 22 (15/75) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 25.093 -0.893 -0.982) 25.128 2.470 ( -12.232 1.139 2.457) 12.528 2.639 ( -1.803 -4.299 3.306) 5.715 2.985 ( -3.184 3.378 6.937) 8.347 3.229 ( 8.124 5.419 11.552) 15.127 3.367 ( -4.294 1.732 4.442) 6.416 3.541 ( 3.379 3.086 -2.669) 5.297 3.696 ( 7.456 -0.241 1.937) 7.708 3.781 ( 0.164 6.758 1.266) 6.877 3.893 ( -6.295 -1.842 1.555) 6.741 3.979 ( 1.271 -0.286 -3.082) 3.346 4.248 ( -2.447 0.540 2.074) 3.253 4.467 ( 0.098 -1.696 0.991) 1.967 4.496 ( -0.380 -1.125 -6.396) 6.506 4.664 ( -3.580 -1.371 -4.086) 5.602 4.819 ( 0.040 1.858 -2.118) 2.818 4.956 ( 5.526 -0.667 3.338) 6.491 5.045 ( -0.168 1.098 3.172) 3.361 5.140 ( 1.355 0.372 -0.169) 1.415 5.179 ( -1.031 1.913 -0.405) 2.210 5.463 ( 4.076 0.345 2.350) 4.717 5.592 ( 3.323 -1.247 6.101) 7.059 5.648 ( -0.812 -2.177 -0.759) 2.444 5.704 ( 5.451 3.135 -2.159) 6.648 5.840 ( -0.492 2.213 1.372) 2.650 5.907 ( -1.355 1.017 2.008) 2.627 6.042 ( -4.623 -1.358 4.731) 6.752 6.122 ( -2.183 1.638 -0.784) 2.839 6.206 ( -4.701 1.177 -5.911) 7.644 6.428 ( 2.775 1.447 12.963) 13.335 6.484 ( 3.001 2.663 4.275) 5.863 6.526 ( -0.662 0.010 -1.656) 1.783 6.588 ( -3.036 3.303 3.392) 5.625 6.763 ( 3.413 -3.794 -2.712) 5.779 6.878 ( -2.505 1.549 0.638) 3.014 6.946 ( 2.626 -0.691 -1.854) 3.288 7.096 ( -2.308 2.298 5.899) 6.738 7.117 ( 1.649 0.059 0.979) 1.919 7.180 ( -4.281 -0.161 -0.090) 4.285 7.289 ( -3.500 0.496 4.730) 5.905 7.418 ( -1.730 0.814 -2.755) 3.353 7.497 ( -1.258 -1.096 -3.940) 4.279 7.571 ( 2.383 -2.553 -6.562) 7.433 7.695 ( 1.479 -1.722 -1.089) 2.517 7.717 ( 0.323 -2.780 -3.871) 4.777 7.784 ( -0.408 1.118 -3.824) 4.005 7.872 ( 3.467 0.994 1.226) 3.809 8.039 ( -0.073 1.723 1.511) 2.292 8.239 ( 4.337 0.365 2.352) 4.947 8.321 ( -2.636 2.582 4.098) 5.514 8.402 ( 1.653 -2.288 -0.377) 2.848 8.486 ( -3.377 2.359 3.549) 5.438 8.553 ( 0.754 -1.042 -2.650) 2.945 8.629 ( -2.688 -5.366 -1.912) 6.299 8.797 ( -2.876 -2.595 -10.081) 10.800 9.036 ( 1.540 1.965 0.271) 2.511 9.271 ( -1.649 0.617 0.360) 1.797 9.429 ( -0.100 0.600 6.381) 6.410 9.601 ( 0.435 -1.234 2.530) 2.849 9.797 ( 1.178 1.183 2.926) 3.369 10.130 ( 4.309 3.739 5.260) 7.760 10.240 ( 0.845 0.965 2.078) 2.442 10.385 ( 3.647 2.645 7.171) 8.469 10.552 ( -5.773 4.895 8.483) 11.369 10.810 ( 7.667 -6.119 -12.991) 16.278 11.029 ( -10.129 -9.474 -18.359) 23.009 16.531 ( 0.725 -0.134 0.509) 0.896 16.645 ( -0.389 0.466 0.308) 0.680 17.129 ( -0.148 -0.854 -0.353) 0.936 17.231 ( -0.705 0.399 1.174) 1.426 17.382 ( -0.094 -0.515 -1.847) 1.920 17.442 ( 0.188 0.318 1.822) 1.859 17.553 ( 0.650 0.047 -2.312) 2.402 17.649 ( 0.009 0.626 0.979) 1.162 17.768 ( 0.636 -1.261 -1.711) 2.218 17.792 ( -1.497 -1.225 -3.592) 4.080 17.974 ( 1.381 -0.535 -0.624) 1.607 18.011 ( -0.778 -0.284 -0.767) 1.129 20.808 ( 0.000 0.365 0.043) 0.368 21.056 ( -0.075 1.930 0.231) 1.945 21.614 ( -0.040 -0.826 -0.153) 0.841 21.747 ( -0.286 0.192 0.334) 0.480 22.162 ( 1.648 -0.140 -0.316) 1.684 22.211 ( -1.357 -0.024 -0.455) 1.432 26.691 ( -0.086 -0.161 -0.012) 0.183 26.820 ( -0.391 0.710 0.358) 0.886 27.229 ( -0.250 -0.192 0.559) 0.641 27.243 ( -0.621 -0.125 0.437) 0.770 27.432 ( 1.133 0.252 0.399) 1.227 27.463 ( -0.921 0.243 0.190) 0.971 34.855 ( 2.529 -0.902 -0.589) 2.749 34.908 ( 2.172 -0.593 -0.606) 2.331 36.064 ( 0.275 -1.749 -1.472) 2.303 36.421 ( -1.387 -2.219 -1.021) 2.808 36.941 ( 2.156 2.500 -1.640) 3.686 37.339 ( -4.286 2.393 -0.210) 4.914 37.714 ( 0.513 -0.628 -1.294) 1.527 38.356 ( -0.545 9.475 2.854) 9.910 38.503 ( -0.228 -9.629 -0.804) 9.665 38.992 ( 0.743 0.656 2.698) 2.874 39.442 ( -0.662 -2.099 3.898) 4.476 40.193 ( -0.597 0.802 1.781) 2.042 ======================= Grid point 50 (16/75) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 0.000 -0.000 13.624) 13.624 1.366 ( 0.000 -0.000 38.387) 38.387 1.458 ( 0.000 -0.000 22.084) 22.084 2.590 ( 0.000 -0.000 62.346) 62.346 2.772 ( 0.000 -0.000 12.661) 12.661 3.088 ( 0.000 -0.000 8.378) 8.378 3.278 ( 0.000 -0.000 9.327) 9.327 3.373 ( 0.000 0.000 -4.280) 4.280 3.699 ( 0.000 -0.000 1.598) 1.598 3.791 ( 0.000 -0.000 6.495) 6.495 3.800 ( 0.000 -0.000 17.878) 17.878 3.946 ( 0.000 -0.000 0.204) 0.204 4.102 ( 0.000 -0.000 1.549) 1.549 4.409 ( 0.000 -0.000 1.435) 1.435 4.436 ( 0.000 -0.000 3.880) 3.880 4.479 ( 0.000 -0.000 8.673) 8.673 4.895 ( 0.000 0.000 -6.330) 6.330 4.978 ( 0.000 -0.000 2.983) 2.983 5.291 ( 0.000 0.000 -9.497) 9.497 5.321 ( 0.000 0.000 -5.486) 5.486 5.338 ( 0.000 0.000 -5.837) 5.837 5.487 ( 0.000 0.000 -2.765) 2.765 5.524 ( 0.000 0.000 -7.046) 7.046 5.695 ( 0.000 0.000 -3.121) 3.121 6.003 ( 0.000 -0.000 7.050) 7.050 6.036 ( 0.000 -0.000 0.323) 0.323 6.040 ( 0.000 -0.000 3.974) 3.974 6.048 ( 0.000 0.000 -7.806) 7.806 6.074 ( 0.000 0.000 -7.222) 7.222 6.405 ( 0.000 -0.000 2.039) 2.039 6.459 ( 0.000 -0.000 16.931) 16.931 6.524 ( 0.000 -0.000 6.069) 6.069 6.534 ( 0.000 0.000 -3.782) 3.782 6.616 ( 0.000 -0.000 2.801) 2.801 6.856 ( 0.000 0.000 -0.721) 0.721 7.002 ( 0.000 0.000 -2.797) 2.797 7.003 ( 0.000 -0.000 1.219) 1.219 7.125 ( 0.000 -0.000 9.502) 9.502 7.237 ( 0.000 0.000 -3.426) 3.426 7.297 ( 0.000 0.000 -2.793) 2.793 7.424 ( 0.000 -0.000 6.203) 6.203 7.452 ( 0.000 -0.000 10.250) 10.250 7.538 ( 0.000 -0.000 0.210) 0.210 7.617 ( 0.000 0.000 -9.429) 9.429 7.813 ( 0.000 0.000 -4.910) 4.910 7.860 ( 0.000 -0.000 6.292) 6.292 7.905 ( 0.000 -0.000 1.512) 1.512 7.949 ( 0.000 -0.000 2.723) 2.723 8.221 ( 0.000 0.000 -3.707) 3.707 8.238 ( 0.000 0.000 -6.853) 6.853 8.400 ( 0.000 0.000 -10.278) 10.278 8.404 ( 0.000 -0.000 18.950) 18.950 8.453 ( 0.000 0.000 -2.238) 2.238 8.710 ( 0.000 -0.000 4.373) 4.373 8.827 ( 0.000 -0.000 2.626) 2.626 9.062 ( 0.000 0.000 -6.723) 6.723 9.194 ( 0.000 0.000 -0.607) 0.607 9.574 ( 0.000 0.000 -4.593) 4.593 9.700 ( 0.000 0.000 -1.804) 1.804 9.767 ( 0.000 -0.000 12.253) 12.253 9.865 ( 0.000 -0.000 0.450) 0.450 10.000 ( 0.000 -0.000 0.974) 0.974 10.279 ( 0.000 -0.000 0.551) 0.551 10.410 ( 0.000 -0.000 4.023) 4.023 10.745 ( 0.000 0.000 -2.156) 2.156 12.466 ( 0.000 0.000 -19.444) 19.444 16.515 ( 0.000 -0.000 0.222) 0.222 16.522 ( 0.000 -0.000 3.309) 3.309 17.206 ( 0.000 0.000 -1.440) 1.440 17.219 ( 0.000 -0.000 1.019) 1.019 17.254 ( 0.000 -0.000 4.271) 4.271 17.485 ( 0.000 0.000 -0.800) 0.800 17.726 ( 0.000 0.000 -0.293) 0.293 17.758 ( 0.000 0.000 -6.244) 6.244 17.821 ( 0.000 0.000 -3.433) 3.433 18.039 ( 0.000 0.000 -7.883) 7.883 18.159 ( 0.000 0.000 -6.818) 6.818 18.227 ( 0.000 0.000 -5.566) 5.566 20.799 ( 0.000 -0.000 1.605) 1.605 20.868 ( 0.000 -0.000 0.784) 0.784 21.672 ( 0.000 -0.000 0.232) 0.232 21.763 ( 0.000 0.000 -0.858) 0.858 22.116 ( 0.000 0.000 -0.047) 0.047 22.285 ( 0.000 0.000 -1.742) 1.742 26.707 ( 0.000 -0.000 0.782) 0.782 26.762 ( 0.000 -0.000 0.134) 0.134 27.173 ( 0.000 -0.000 2.411) 2.411 27.306 ( 0.000 -0.000 0.107) 0.107 27.333 ( 0.000 -0.000 1.414) 1.414 27.456 ( 0.000 -0.000 0.741) 0.741 34.732 ( 0.000 -0.000 0.897) 0.897 34.847 ( 0.000 0.000 -0.523) 0.523 36.164 ( 0.000 0.000 -2.884) 2.884 36.867 ( 0.000 0.000 -3.817) 3.817 37.007 ( 0.000 -0.000 9.487) 9.487 37.238 ( 0.000 0.000 -23.863) 23.863 37.853 ( 0.000 -0.000 0.221) 0.221 37.971 ( 0.000 -0.000 0.270) 0.270 38.738 ( 0.000 -0.000 0.900) 0.900 38.749 ( 0.000 -0.000 12.206) 12.206 39.026 ( 0.000 -0.000 18.828) 18.828 40.485 ( 0.000 0.000 -5.049) 5.049 ======================= Grid point 51 (17/75) ======================= q-point: ( 0.20 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 14.979 -0.000 32.990) 36.231 1.578 ( 35.111 -0.000 13.539) 37.631 1.890 ( 31.851 0.000 -0.392) 31.854 2.711 ( 10.999 -0.000 45.189) 46.508 2.741 ( -3.786 -0.000 14.518) 15.003 2.886 ( -13.089 -0.000 16.914) 21.387 3.185 ( -15.766 -0.000 1.834) 15.872 3.390 ( 7.874 -0.000 11.296) 13.770 3.623 ( -12.712 -0.000 0.525) 12.723 3.754 ( 6.350 -0.000 1.745) 6.585 3.915 ( 10.018 -0.000 15.338) 18.320 3.990 ( -2.253 0.000 -1.081) 2.499 4.201 ( 5.217 -0.000 4.688) 7.014 4.388 ( -2.257 -0.000 5.372) 5.827 4.449 ( 3.793 -0.000 0.939) 3.908 4.538 ( 4.297 -0.000 6.940) 8.162 4.913 ( 1.862 0.000 -4.290) 4.677 4.948 ( -0.924 -0.000 0.687) 1.152 5.282 ( -0.751 0.000 -5.639) 5.689 5.294 ( -0.355 0.000 -7.777) 7.785 5.430 ( 5.287 0.000 -8.030) 9.614 5.445 ( -2.694 0.000 -1.166) 2.935 5.610 ( 6.756 0.000 -4.312) 8.015 5.671 ( -1.792 0.000 -1.772) 2.520 5.938 ( -6.290 -0.000 0.175) 6.293 5.989 ( -2.706 -0.000 1.399) 3.046 6.048 ( 1.517 0.000 -3.715) 4.013 6.084 ( 1.548 -0.000 0.914) 1.797 6.106 ( 1.010 0.000 -3.454) 3.599 6.307 ( -8.260 -0.000 2.304) 8.576 6.317 ( -7.044 -0.000 5.676) 9.046 6.472 ( -0.594 -0.000 2.396) 2.468 6.605 ( 0.544 0.000 -2.349) 2.411 6.727 ( 4.519 -0.000 12.788) 13.563 6.921 ( -3.550 0.000 -1.006) 3.690 6.921 ( 5.260 -0.000 0.134) 5.261 7.016 ( -7.053 -0.000 5.786) 9.123 7.072 ( 1.832 0.000 -3.252) 3.733 7.211 ( -7.392 0.000 -0.239) 7.396 7.217 ( -1.514 0.000 -1.229) 1.951 7.398 ( 1.740 -0.000 2.947) 3.422 7.423 ( 0.442 -0.000 3.328) 3.357 7.572 ( 3.537 0.000 -0.800) 3.626 7.659 ( -3.819 0.000 -2.532) 4.583 7.837 ( -1.752 -0.000 6.094) 6.341 7.937 ( 11.851 -0.000 0.743) 11.874 7.993 ( 2.121 -0.000 3.808) 4.359 8.008 ( 3.607 0.000 -3.314) 4.898 8.121 ( -6.132 0.000 -10.247) 11.942 8.208 ( -0.463 0.000 -3.656) 3.686 8.344 ( 0.196 -0.000 5.615) 5.619 8.490 ( 5.565 0.000 -6.044) 8.216 8.539 ( 5.102 -0.000 4.254) 6.642 8.738 ( 3.282 -0.000 6.280) 7.086 8.813 ( -1.722 -0.000 2.232) 2.819 9.086 ( 2.424 0.000 -6.184) 6.642 9.172 ( -2.812 0.000 -0.396) 2.840 9.465 ( -11.838 -0.000 1.640) 11.951 9.702 ( 0.233 0.000 -0.722) 0.758 9.724 ( -1.799 -0.000 1.435) 2.301 9.867 ( 0.175 -0.000 0.309) 0.355 9.964 ( -2.747 -0.000 4.495) 5.268 10.254 ( -2.312 -0.000 3.269) 4.004 10.271 ( -6.825 -0.000 7.203) 9.923 11.077 ( 24.623 0.000 -5.528) 25.236 12.302 ( -15.255 0.000 -15.344) 21.637 16.525 ( 0.361 -0.000 3.200) 3.221 16.530 ( 1.094 -0.000 0.333) 1.144 17.175 ( -2.204 -0.000 2.143) 3.074 17.192 ( -1.325 0.000 -1.151) 1.755 17.305 ( 3.035 -0.000 3.322) 4.499 17.457 ( -2.563 -0.000 0.881) 2.710 17.734 ( 0.464 0.000 -4.678) 4.700 17.745 ( -0.976 0.000 -5.992) 6.071 17.866 ( 4.417 0.000 -0.753) 4.481 18.046 ( 0.768 0.000 -7.980) 8.017 18.138 ( -2.277 0.000 -7.094) 7.451 18.180 ( -3.923 0.000 -3.824) 5.478 20.801 ( 0.218 -0.000 1.672) 1.686 20.849 ( -1.557 -0.000 1.691) 2.299 21.674 ( 0.184 -0.000 0.268) 0.325 21.729 ( -2.380 -0.000 0.562) 2.446 22.164 ( 3.646 0.000 -2.116) 4.215 22.279 ( -0.684 0.000 -1.854) 1.976 26.705 ( 0.048 -0.000 0.829) 0.830 26.755 ( -0.714 -0.000 0.112) 0.723 27.173 ( 0.253 -0.000 2.291) 2.305 27.275 ( -2.331 -0.000 0.537) 2.392 27.359 ( 1.736 -0.000 1.065) 2.036 27.447 ( -0.939 -0.000 0.780) 1.220 34.887 ( 3.970 0.000 -0.689) 4.030 34.895 ( 11.796 0.000 -5.448) 12.994 36.264 ( 10.656 0.000 -8.712) 13.765 36.847 ( -2.277 0.000 -5.216) 5.691 37.003 ( -0.203 -0.000 7.612) 7.614 37.187 ( -5.017 0.000 -21.489) 22.067 37.867 ( 1.419 -0.000 0.197) 1.433 37.961 ( -1.009 -0.000 0.345) 1.067 38.728 ( -1.597 -0.000 10.318) 10.441 38.730 ( -0.801 -0.000 1.535) 1.731 39.100 ( 7.438 -0.000 20.629) 21.929 40.161 ( -27.758 -0.000 11.053) 29.878 ======================= Grid point 52 (18/75) ======================= q-point: ( 0.40 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 20.678 -0.000 22.043) 30.224 2.145 ( 12.301 -0.000 11.842) 17.075 2.238 ( 8.107 -0.000 14.933) 16.992 2.583 ( -14.456 -0.000 22.811) 27.006 2.694 ( 5.106 -0.000 7.018) 8.679 2.897 ( -13.087 -0.000 0.434) 13.094 3.049 ( 16.643 -0.000 14.669) 22.184 3.350 ( -15.508 -0.000 0.872) 15.533 3.603 ( 14.898 -0.000 15.335) 21.380 3.862 ( -10.701 -0.000 4.436) 11.585 3.931 ( 11.914 -0.000 2.222) 12.120 4.120 ( 10.936 -0.000 14.445) 18.117 4.150 ( -8.824 -0.000 3.074) 9.344 4.312 ( -8.053 -0.000 12.482) 14.854 4.528 ( 3.961 0.000 -0.206) 3.966 4.580 ( -0.924 0.000 -0.064) 0.926 4.963 ( 3.179 -0.000 0.038) 3.179 4.990 ( 2.239 -0.000 2.113) 3.079 5.278 ( 0.317 0.000 -3.673) 3.687 5.286 ( 0.512 0.000 -5.050) 5.076 5.431 ( 1.847 0.000 -1.559) 2.417 5.484 ( -0.833 0.000 -7.538) 7.584 5.654 ( 0.613 -0.000 0.625) 0.875 5.689 ( -0.800 -0.000 1.601) 1.790 5.858 ( 0.912 0.000 -7.955) 8.007 5.924 ( -4.084 0.000 -3.884) 5.635 6.077 ( 0.979 0.000 -2.420) 2.611 6.089 ( -0.680 -0.000 2.070) 2.179 6.103 ( 0.363 0.000 -1.594) 1.635 6.163 ( -5.747 0.000 -1.343) 5.902 6.302 ( 4.840 -0.000 1.600) 5.098 6.436 ( -6.606 -0.000 1.401) 6.753 6.586 ( 2.689 -0.000 3.306) 4.261 6.697 ( -6.385 -0.000 10.717) 12.475 6.894 ( 0.119 -0.000 1.355) 1.360 6.907 ( -1.900 -0.000 3.229) 3.747 7.036 ( 3.209 0.000 -5.423) 6.302 7.072 ( -1.107 0.000 -5.337) 5.451 7.163 ( 1.748 -0.000 1.315) 2.187 7.197 ( -0.975 -0.000 0.297) 1.019 7.420 ( 0.284 -0.000 2.503) 2.519 7.425 ( -0.420 -0.000 1.942) 1.987 7.620 ( 0.583 0.000 -0.697) 0.909 7.651 ( 1.200 0.000 -2.294) 2.589 7.806 ( 2.198 -0.000 0.816) 2.345 7.942 ( -8.023 0.000 -3.367) 8.701 7.992 ( 0.939 -0.000 3.907) 4.018 8.026 ( -1.082 -0.000 4.505) 4.633 8.124 ( 3.198 0.000 -5.431) 6.302 8.176 ( -2.232 0.000 -2.965) 3.711 8.507 ( 10.153 0.000 -1.276) 10.233 8.565 ( 1.812 0.000 -2.635) 3.198 8.624 ( 4.899 -0.000 3.551) 6.051 8.747 ( -5.608 -0.000 3.289) 6.501 8.846 ( 8.295 -0.000 4.048) 9.230 9.045 ( -11.003 -0.000 1.245) 11.073 9.148 ( 4.109 0.000 -3.829) 5.616 9.250 ( -7.748 0.000 -0.380) 7.757 9.710 ( 0.550 -0.000 0.267) 0.612 9.716 ( 0.031 0.000 -1.613) 1.613 9.875 ( 0.919 -0.000 1.892) 2.103 9.910 ( -2.698 -0.000 6.010) 6.587 10.197 ( -1.272 -0.000 7.818) 7.921 10.209 ( -2.034 -0.000 6.925) 7.217 11.542 ( 23.607 0.000 -9.244) 25.352 11.958 ( -20.305 0.000 -11.819) 23.494 16.535 ( 0.566 -0.000 2.735) 2.793 16.542 ( 0.009 -0.000 1.582) 1.582 17.152 ( -0.160 -0.000 1.089) 1.101 17.165 ( -1.266 0.000 -0.277) 1.296 17.356 ( 2.453 -0.000 3.570) 4.332 17.404 ( -2.734 -0.000 2.768) 3.890 17.735 ( 0.003 0.000 -6.640) 6.640 17.738 ( -0.053 0.000 -7.004) 7.004 17.967 ( 5.687 0.000 -0.721) 5.733 18.068 ( -4.846 0.000 -3.878) 6.206 18.070 ( 1.802 0.000 -7.751) 7.958 18.114 ( -2.833 0.000 -5.750) 6.410 20.808 ( 0.527 -0.000 1.866) 1.939 20.823 ( -1.061 -0.000 2.071) 2.327 21.680 ( 0.496 -0.000 0.419) 0.649 21.695 ( -1.199 -0.000 0.721) 1.399 22.223 ( 2.444 0.000 -2.632) 3.592 22.259 ( -1.421 0.000 -2.193) 2.614 26.715 ( 0.961 -0.000 0.430) 1.053 26.737 ( -1.167 -0.000 0.139) 1.175 27.190 ( 1.565 -0.000 1.603) 2.240 27.229 ( -2.383 -0.000 0.927) 2.557 27.392 ( 1.734 -0.000 0.971) 1.987 27.423 ( -1.507 -0.000 0.862) 1.736 34.977 ( 4.721 0.000 -1.730) 5.028 35.024 ( 1.117 0.000 -4.708) 4.839 36.528 ( 15.071 0.000 -17.129) 22.815 36.758 ( -8.139 0.000 -12.349) 14.790 37.011 ( 1.483 -0.000 1.636) 2.208 37.076 ( -5.502 0.000 -11.121) 12.407 37.900 ( 1.908 -0.000 0.313) 1.933 37.935 ( -1.693 -0.000 0.422) 1.745 38.708 ( -0.372 -0.000 6.746) 6.756 38.713 ( -0.791 -0.000 3.516) 3.604 39.302 ( 14.134 -0.000 23.664) 27.564 39.652 ( -23.286 -0.000 23.510) 33.090 ======================= Grid point 55 (19/75) ======================= q-point: ( 0.00 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.000 1.751 -0.114) 1.755 2.008 ( 0.000 6.029 32.321) 32.878 2.014 ( 0.000 4.367 33.064) 33.351 2.913 ( 0.000 -11.833 11.525) 16.518 3.159 ( 0.000 1.215 2.329) 2.627 3.364 ( 0.000 11.488 0.774) 11.514 3.420 ( 0.000 2.135 4.008) 4.541 3.508 ( 0.000 8.155 25.547) 26.817 3.662 ( 0.000 -12.777 0.598) 12.791 3.875 ( 0.000 8.069 2.613) 8.482 3.952 ( 0.000 -1.025 1.750) 2.028 4.127 ( 0.000 0.551 -0.671) 0.868 4.288 ( 0.000 7.638 32.733) 33.612 4.410 ( 0.000 -2.644 1.891) 3.251 4.630 ( 0.000 -4.258 7.324) 8.471 4.638 ( 0.000 7.031 11.024) 13.076 4.851 ( 0.000 3.124 4.005) 5.080 5.016 ( 0.000 0.128 2.037) 2.041 5.113 ( 0.000 -3.483 -6.689) 7.541 5.195 ( 0.000 -5.113 -4.620) 6.892 5.233 ( 0.000 -2.029 -5.348) 5.720 5.425 ( 0.000 -0.199 -4.446) 4.451 5.469 ( 0.000 8.474 -5.535) 10.121 5.629 ( 0.000 -3.175 -2.669) 4.148 5.856 ( 0.000 -1.118 -9.891) 9.954 5.985 ( 0.000 0.693 1.568) 1.714 6.077 ( 0.000 3.674 0.530) 3.712 6.102 ( 0.000 0.492 2.660) 2.705 6.160 ( 0.000 1.661 5.480) 5.726 6.449 ( 0.000 0.570 -6.058) 6.084 6.480 ( 0.000 -0.399 7.875) 7.885 6.524 ( 0.000 -8.395 0.542) 8.412 6.731 ( 0.000 -1.589 11.340) 11.451 6.743 ( 0.000 7.546 4.533) 8.803 6.825 ( 0.000 -1.674 -0.346) 1.709 6.946 ( 0.000 3.720 -5.900) 6.974 7.026 ( 0.000 2.555 2.929) 3.887 7.148 ( 0.000 -5.322 1.383) 5.499 7.240 ( 0.000 -0.770 -5.059) 5.117 7.354 ( 0.000 6.966 5.440) 8.838 7.405 ( 0.000 -6.116 -4.991) 7.894 7.526 ( 0.000 1.714 -0.541) 1.797 7.554 ( 0.000 1.668 1.132) 2.016 7.622 ( 0.000 0.815 5.279) 5.342 7.759 ( 0.000 2.930 -4.638) 5.486 7.921 ( 0.000 -5.718 0.973) 5.800 7.957 ( 0.000 1.716 5.555) 5.813 8.001 ( 0.000 1.872 8.063) 8.278 8.108 ( 0.000 -1.679 -8.377) 8.544 8.256 ( 0.000 -0.725 -4.857) 4.911 8.274 ( 0.000 1.526 8.582) 8.716 8.411 ( 0.000 1.475 -2.817) 3.179 8.595 ( 0.000 0.563 -2.841) 2.897 8.769 ( 0.000 -2.654 2.918) 3.944 8.900 ( 0.000 0.728 4.491) 4.550 9.000 ( 0.000 1.364 0.253) 1.388 9.199 ( 0.000 3.156 -0.205) 3.163 9.444 ( 0.000 -0.380 -7.577) 7.587 9.704 ( 0.000 -6.642 6.673) 9.415 9.832 ( 0.000 -6.341 2.283) 6.740 9.973 ( 0.000 5.482 5.995) 8.124 9.989 ( 0.000 5.760 -5.802) 8.176 10.295 ( 0.000 -0.959 1.778) 2.020 10.498 ( 0.000 -0.233 7.118) 7.122 10.678 ( 0.000 -0.031 -5.801) 5.801 12.039 ( 0.000 -7.845 -24.171) 25.412 16.514 ( 0.000 -0.953 0.523) 1.087 16.587 ( 0.000 1.448 2.867) 3.212 17.184 ( 0.000 0.184 -1.350) 1.362 17.238 ( 0.000 -0.701 1.662) 1.804 17.337 ( 0.000 0.137 5.145) 5.147 17.448 ( 0.000 0.153 -3.379) 3.383 17.626 ( 0.000 -2.581 -5.922) 6.460 17.712 ( 0.000 1.677 -3.658) 4.024 17.785 ( 0.000 -0.830 -0.288) 0.879 17.925 ( 0.000 -1.283 -3.632) 3.852 18.022 ( 0.000 -0.346 -8.455) 8.462 18.121 ( 0.000 -0.165 -6.160) 6.162 20.815 ( 0.000 -2.415 2.032) 3.157 20.920 ( 0.000 5.343 1.172) 5.470 21.669 ( 0.000 -1.120 -0.210) 1.140 21.749 ( 0.000 0.468 -0.791) 0.919 22.115 ( 0.000 -0.008 -0.047) 0.048 22.258 ( 0.000 0.040 -1.300) 1.301 26.716 ( 0.000 -1.087 0.708) 1.297 26.777 ( 0.000 1.691 0.613) 1.799 27.215 ( 0.000 -0.139 2.334) 2.338 27.300 ( 0.000 -0.354 -0.574) 0.675 27.362 ( 0.000 0.277 1.609) 1.632 27.471 ( 0.000 0.185 0.800) 0.821 34.746 ( 0.000 -0.178 0.673) 0.696 34.830 ( 0.000 -0.211 -1.187) 1.206 36.112 ( 0.000 -0.143 -3.005) 3.009 36.808 ( 0.000 -9.656 -13.915) 16.937 36.832 ( 0.000 1.541 -1.250) 1.984 37.250 ( 0.000 8.964 7.340) 11.586 37.815 ( 0.000 -5.946 -0.465) 5.964 38.031 ( 0.000 9.149 0.747) 9.179 38.731 ( 0.000 -2.485 -0.558) 2.547 38.902 ( 0.000 0.113 5.601) 5.602 39.330 ( 0.000 -2.730 17.433) 17.645 40.360 ( 0.000 -2.896 -6.523) 7.137 ======================= Grid point 56 (20/75) ======================= q-point: ( 0.20 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 30.868 -0.075 -5.286) 31.318 2.086 ( 7.395 3.243 29.283) 30.376 2.252 ( 21.347 5.785 26.866) 34.798 2.884 ( -2.923 -12.572 11.780) 17.475 3.084 ( -7.912 -0.163 4.085) 8.906 3.241 ( -10.301 6.457 10.830) 16.281 3.314 ( -4.833 11.541 7.122) 14.397 3.619 ( -7.674 -2.848 0.705) 8.216 3.676 ( 7.774 3.541 10.357) 13.425 3.784 ( 1.954 -4.291 7.884) 9.186 3.988 ( 0.511 4.444 -1.055) 4.596 4.225 ( 5.119 0.182 1.648) 5.381 4.330 ( 3.780 3.350 20.822) 21.426 4.481 ( 6.210 1.027 7.854) 10.065 4.591 ( -1.213 5.266 10.195) 11.539 4.657 ( -0.754 -3.431 7.030) 7.859 4.883 ( 2.607 1.297 2.180) 3.638 4.946 ( -2.152 2.220 -1.725) 3.541 5.156 ( 2.250 -2.546 -3.644) 4.982 5.203 ( 1.489 -0.522 -3.323) 3.678 5.270 ( 3.175 -6.291 -5.994) 9.251 5.434 ( 1.674 1.685 -1.445) 2.780 5.544 ( 6.141 5.314 -5.337) 9.718 5.645 ( 1.605 -0.735 -1.191) 2.130 5.837 ( -1.985 -2.995 -6.705) 7.607 5.998 ( 0.686 0.119 2.147) 2.257 6.047 ( -2.004 4.178 1.532) 4.880 6.115 ( 0.011 -0.453 1.576) 1.640 6.153 ( -1.051 1.204 2.940) 3.346 6.322 ( -9.475 1.694 0.258) 9.629 6.413 ( -8.714 -2.344 5.873) 10.767 6.524 ( -0.664 1.536 0.800) 1.855 6.594 ( -1.681 -0.584 4.549) 4.885 6.823 ( 1.333 -3.960 -0.891) 4.272 6.892 ( 2.214 1.806 -2.881) 4.058 6.994 ( -0.956 -0.643 -2.553) 2.801 7.006 ( 0.672 1.709 8.896) 9.083 7.123 ( -2.030 -4.586 3.760) 6.268 7.185 ( -5.552 2.735 -2.605) 6.715 7.264 ( 0.181 5.966 0.449) 5.986 7.413 ( -0.545 -2.170 1.216) 2.547 7.507 ( -1.890 3.217 1.659) 4.084 7.563 ( 0.535 0.813 -0.256) 1.006 7.649 ( 1.355 1.259 0.802) 2.016 7.868 ( 5.341 -2.295 -5.267) 7.845 7.928 ( 0.005 -0.975 1.133) 1.494 7.965 ( -1.388 -2.549 2.585) 3.886 8.032 ( -2.663 -1.638 -0.017) 3.126 8.084 ( -0.846 1.781 0.207) 1.983 8.132 ( 4.592 2.415 1.541) 5.413 8.358 ( -2.251 1.337 -1.592) 3.064 8.437 ( 6.205 -0.669 -0.759) 6.287 8.630 ( 2.905 -0.517 -0.317) 2.967 8.808 ( 3.889 -1.203 0.134) 4.073 8.880 ( -2.034 2.064 3.379) 4.452 9.025 ( 2.378 -0.959 0.012) 2.564 9.186 ( -1.648 2.683 1.577) 3.522 9.393 ( -6.904 0.383 -7.199) 9.982 9.678 ( -2.583 -7.917 5.089) 9.760 9.793 ( -2.675 0.079 3.314) 4.260 9.886 ( -0.387 2.606 2.095) 3.366 10.058 ( 1.481 3.955 3.745) 5.645 10.295 ( -0.106 -0.531 2.251) 2.315 10.403 ( -5.830 0.859 7.815) 9.788 10.922 ( 18.922 -1.770 -11.177) 22.048 11.924 ( -11.390 -6.890 -22.911) 26.498 16.527 ( 1.111 -1.339 0.646) 1.856 16.589 ( 0.157 1.648 2.454) 2.961 17.175 ( -0.735 0.083 -0.931) 1.189 17.212 ( -1.976 -0.178 2.268) 3.013 17.366 ( 2.315 -0.318 3.949) 4.589 17.446 ( -0.259 -0.093 -2.284) 2.300 17.624 ( -0.178 -1.657 -5.793) 6.028 17.672 ( -2.551 1.135 -3.220) 4.262 17.842 ( 3.928 -0.866 -2.538) 4.756 17.931 ( 0.788 -1.668 -3.302) 3.782 18.004 ( -1.685 0.222 -7.806) 7.989 18.100 ( -2.053 -0.101 -5.110) 5.508 20.815 ( 0.043 -2.525 2.034) 3.242 20.913 ( -0.630 5.399 1.606) 5.668 21.669 ( 0.091 -1.347 -0.177) 1.361 21.734 ( -1.284 0.760 -0.184) 1.504 22.140 ( 2.245 -0.128 -0.802) 2.388 22.250 ( -0.857 0.028 -1.373) 1.619 26.714 ( -0.101 -1.118 0.698) 1.322 26.770 ( -0.651 1.730 0.644) 1.958 27.212 ( -0.102 -0.141 2.203) 2.210 27.278 ( -1.878 -0.287 -0.084) 1.902 27.381 ( 1.526 0.212 1.294) 2.012 27.462 ( -0.860 0.214 0.838) 1.220 34.832 ( 7.205 -1.016 -1.844) 7.507 34.869 ( 3.849 0.018 -1.391) 4.093 36.152 ( 4.383 -1.093 -4.524) 6.393 36.703 ( -7.443 -2.509 -12.220) 14.526 36.896 ( 3.186 -4.673 -1.687) 5.902 37.215 ( -3.337 8.698 5.989) 11.075 37.826 ( 0.980 -6.087 -0.639) 6.198 38.025 ( -0.533 9.256 0.926) 9.318 38.730 ( -0.127 -3.251 0.061) 3.254 38.873 ( -2.471 1.515 5.559) 6.269 39.399 ( 6.722 -4.676 16.434) 18.361 40.225 ( -12.720 -0.067 -0.828) 12.747 ======================= Grid point 57 (21/75) ======================= q-point: ( 0.40 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 20.868 -1.559 -4.324) 21.369 2.246 ( 7.514 2.950 15.590) 17.556 2.627 ( 13.668 4.156 20.625) 25.090 2.812 ( -5.060 -8.227 10.281) 14.106 2.884 ( -9.470 -5.201 12.577) 16.580 3.080 ( -4.701 5.924 16.895) 18.510 3.263 ( 0.141 9.728 5.525) 11.188 3.392 ( -11.640 5.056 2.417) 12.919 3.788 ( 4.216 -3.944 5.481) 7.961 3.914 ( 2.637 -0.196 2.250) 3.472 4.000 ( 5.640 1.459 3.764) 6.936 4.205 ( -6.215 2.740 2.663) 7.296 4.425 ( 5.775 0.328 12.343) 13.631 4.540 ( -4.010 0.135 8.182) 9.112 4.587 ( 1.523 0.703 7.780) 7.959 4.638 ( 0.936 4.695 7.151) 8.606 4.940 ( 2.718 0.465 -3.190) 4.216 4.959 ( 1.013 2.499 -5.338) 5.980 5.197 ( 2.278 -4.140 -1.057) 4.842 5.244 ( 0.605 -2.389 -4.218) 4.885 5.363 ( 7.639 -1.637 0.263) 7.817 5.472 ( 0.462 3.373 3.467) 4.859 5.645 ( 2.997 0.744 -2.995) 4.301 5.686 ( 1.284 2.645 -0.584) 2.998 5.799 ( 1.298 -3.565 1.146) 3.963 5.939 ( -7.717 2.516 5.484) 9.795 6.016 ( -3.257 -4.733 0.043) 5.745 6.062 ( -1.578 -4.347 0.509) 4.652 6.142 ( 0.166 6.533 -2.099) 6.863 6.179 ( -3.845 3.584 2.847) 5.978 6.346 ( 2.072 2.936 2.355) 4.297 6.450 ( -6.426 2.500 -0.824) 6.944 6.635 ( 5.631 -4.872 5.239) 9.105 6.808 ( -3.315 -0.243 3.258) 4.654 6.879 ( -5.512 -2.088 -2.274) 6.317 6.929 ( -0.148 -0.311 0.553) 0.652 7.006 ( 1.367 -2.023 0.426) 2.478 7.080 ( -4.117 6.732 -0.889) 7.941 7.152 ( 2.103 -4.445 4.172) 6.449 7.315 ( 0.736 7.016 2.474) 7.476 7.419 ( 2.413 -2.602 0.753) 3.628 7.483 ( -0.551 3.296 -0.280) 3.353 7.565 ( -0.279 -1.911 -1.421) 2.398 7.666 ( 0.221 5.007 2.085) 5.429 7.839 ( -3.324 -0.317 2.036) 3.911 7.873 ( -2.913 -0.369 -2.021) 3.565 7.972 ( 1.730 -4.696 -4.082) 6.458 8.013 ( -0.311 -3.573 -3.978) 5.356 8.115 ( 1.649 1.287 4.096) 4.600 8.181 ( -1.460 2.562 2.062) 3.598 8.433 ( 7.938 1.205 -4.599) 9.253 8.508 ( 0.628 -1.174 -3.412) 3.663 8.700 ( 4.189 -2.438 0.369) 4.861 8.817 ( -3.221 1.995 2.684) 4.644 8.912 ( 5.969 -0.539 -0.035) 5.993 9.074 ( 1.904 -3.604 -3.529) 5.392 9.113 ( -7.099 1.950 5.883) 9.424 9.225 ( -5.969 4.411 -2.450) 7.816 9.662 ( 0.477 -6.142 3.349) 7.012 9.767 ( -0.769 1.534 2.251) 2.831 9.925 ( 3.173 -0.642 6.250) 7.039 10.051 ( -1.871 4.636 7.482) 8.999 10.292 ( 0.047 0.015 3.423) 3.423 10.315 ( -2.875 0.837 5.557) 6.313 11.294 ( 19.451 -3.454 -17.062) 26.103 11.646 ( -17.125 -4.958 -20.646) 27.278 16.546 ( 0.647 -2.006 1.340) 2.498 16.592 ( 0.124 2.041 1.471) 2.519 17.163 ( -0.367 -0.403 0.296) 0.620 17.181 ( -1.046 0.660 1.612) 2.032 17.405 ( 1.611 -0.908 2.797) 3.353 17.436 ( -0.745 -0.099 0.026) 0.752 17.623 ( 0.133 -0.281 -5.665) 5.673 17.636 ( -1.091 0.640 -3.982) 4.178 17.896 ( 1.599 -2.229 -5.794) 6.411 17.946 ( -0.559 -1.575 -6.800) 7.003 17.991 ( 2.034 1.128 -2.453) 3.380 18.051 ( -2.999 0.082 -3.149) 4.349 20.816 ( 0.030 -2.726 2.034) 3.402 20.902 ( -0.348 5.507 2.167) 5.928 21.672 ( 0.101 -1.968 -0.109) 1.974 21.713 ( -0.669 1.434 0.331) 1.617 22.185 ( 2.270 -0.334 -1.475) 2.728 22.226 ( -1.590 0.092 -1.543) 2.218 26.714 ( 0.129 -1.483 0.489) 1.567 26.757 ( -0.536 2.090 0.752) 2.285 27.218 ( 0.774 -0.179 1.555) 1.746 27.242 ( -1.715 -0.229 0.649) 1.848 27.410 ( 1.517 0.072 1.117) 1.886 27.441 ( -1.297 0.355 0.931) 1.636 34.932 ( 3.075 -1.621 -2.525) 4.296 34.954 ( 2.985 0.020 -3.086) 4.293 36.273 ( 7.278 -5.779 -8.389) 12.519 36.545 ( -8.055 3.395 -13.353) 15.960 36.944 ( 1.713 -6.882 3.305) 7.824 37.150 ( -2.567 9.062 2.539) 9.754 37.844 ( 0.675 -6.548 -0.938) 6.649 38.015 ( -0.411 9.626 1.234) 9.713 38.728 ( -0.048 -5.056 1.322) 5.226 38.833 ( -1.309 4.091 4.836) 6.468 39.553 ( 7.898 -12.015 14.063) 20.112 39.968 ( -11.392 8.673 8.154) 16.476 ======================= Grid point 60 (22/75) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.000 2.671 -1.254) 2.951 2.522 ( 0.000 3.600 18.943) 19.282 2.596 ( 0.000 6.541 27.826) 28.585 2.921 ( 0.000 -9.515 0.976) 9.565 3.179 ( 0.000 -1.393 6.706) 6.850 3.397 ( 0.000 -4.927 -6.456) 8.122 3.517 ( 0.000 9.977 -1.482) 10.087 3.533 ( 0.000 -5.222 -2.540) 5.808 3.768 ( 0.000 -0.565 4.025) 4.064 4.036 ( 0.000 1.530 4.496) 4.749 4.040 ( 0.000 4.084 9.103) 9.977 4.116 ( 0.000 0.815 3.379) 3.475 4.414 ( 0.000 -0.176 0.049) 0.182 4.579 ( 0.000 -6.647 1.180) 6.751 4.719 ( 0.000 1.670 4.127) 4.452 4.778 ( 0.000 1.648 -2.094) 2.665 5.009 ( 0.000 -1.558 -1.997) 2.532 5.011 ( 0.000 -1.635 -2.325) 2.842 5.076 ( 0.000 -0.103 0.924) 0.930 5.164 ( 0.000 1.029 -0.899) 1.366 5.272 ( 0.000 5.096 19.129) 19.796 5.464 ( 0.000 6.399 -4.481) 7.812 5.471 ( 0.000 4.802 9.895) 10.999 5.604 ( 0.000 -0.793 5.900) 5.953 5.721 ( 0.000 2.897 -4.447) 5.307 6.032 ( 0.000 -2.352 0.797) 2.483 6.084 ( 0.000 -3.460 0.845) 3.562 6.154 ( 0.000 3.160 1.980) 3.729 6.312 ( 0.000 7.052 7.312) 10.159 6.361 ( 0.000 2.533 -4.326) 5.013 6.431 ( 0.000 -6.562 -1.007) 6.638 6.638 ( 0.000 -0.394 4.992) 5.007 6.734 ( 0.000 -4.160 -0.094) 4.161 6.786 ( 0.000 1.349 -2.464) 2.809 6.802 ( 0.000 -2.925 -7.431) 7.986 6.934 ( 0.000 1.952 1.834) 2.679 7.091 ( 0.000 -1.119 -4.046) 4.198 7.190 ( 0.000 3.934 4.858) 6.251 7.211 ( 0.000 1.025 9.258) 9.314 7.350 ( 0.000 1.129 2.201) 2.474 7.418 ( 0.000 -1.270 -0.651) 1.427 7.538 ( 0.000 -0.238 1.607) 1.624 7.604 ( 0.000 1.578 1.725) 2.338 7.650 ( 0.000 2.896 -1.292) 3.171 7.704 ( 0.000 0.505 -3.235) 3.275 7.801 ( 0.000 -9.922 -4.440) 10.870 7.904 ( 0.000 -3.680 -9.410) 10.104 8.046 ( 0.000 -8.137 -3.983) 9.060 8.071 ( 0.000 2.730 1.889) 3.320 8.335 ( 0.000 4.231 -2.219) 4.777 8.396 ( 0.000 4.093 -1.645) 4.411 8.453 ( 0.000 2.826 6.748) 7.316 8.496 ( 0.000 3.180 7.595) 8.233 8.753 ( 0.000 -5.160 0.542) 5.188 8.942 ( 0.000 1.070 -1.966) 2.239 9.030 ( 0.000 3.732 1.057) 3.879 9.250 ( 0.000 4.362 1.227) 4.531 9.344 ( 0.000 5.790 -8.132) 9.983 9.679 ( 0.000 -5.596 -7.221) 9.136 9.804 ( 0.000 -6.767 2.127) 7.094 10.034 ( 0.000 -2.287 11.854) 12.072 10.111 ( 0.000 4.321 4.591) 6.305 10.311 ( 0.000 -2.700 1.491) 3.084 10.562 ( 0.000 0.888 -6.780) 6.838 10.678 ( 0.000 4.939 11.950) 12.931 11.521 ( 0.000 -9.943 -25.259) 27.146 16.514 ( 0.000 -0.836 0.412) 0.932 16.640 ( 0.000 0.973 1.759) 2.010 17.157 ( 0.000 -0.608 -1.513) 1.631 17.259 ( 0.000 -0.234 0.982) 1.009 17.395 ( 0.000 -0.247 -1.611) 1.630 17.423 ( 0.000 0.596 3.551) 3.601 17.529 ( 0.000 -1.013 -2.628) 2.817 17.654 ( 0.000 0.951 -3.622) 3.744 17.771 ( 0.000 -2.084 -0.857) 2.253 17.889 ( 0.000 -1.480 0.101) 1.483 17.893 ( 0.000 1.436 -5.615) 5.796 18.029 ( 0.000 0.917 -4.400) 4.494 20.827 ( 0.000 -2.397 2.120) 3.200 20.995 ( 0.000 4.443 1.742) 4.772 21.644 ( 0.000 -1.839 -0.730) 1.979 21.747 ( 0.000 1.277 -0.573) 1.400 22.114 ( 0.000 -0.005 -0.030) 0.030 22.243 ( 0.000 0.029 -0.435) 0.436 26.713 ( 0.000 -1.446 0.467) 1.520 26.809 ( 0.000 2.036 0.719) 2.159 27.245 ( 0.000 -0.171 1.191) 1.203 27.282 ( 0.000 -0.215 -1.088) 1.109 27.389 ( 0.000 0.162 1.141) 1.152 27.485 ( 0.000 -0.031 0.734) 0.735 34.749 ( 0.000 -0.538 0.011) 0.538 34.808 ( 0.000 0.308 -1.305) 1.341 36.062 ( 0.000 -0.179 -2.436) 2.442 36.547 ( 0.000 -2.720 -9.298) 9.688 36.848 ( 0.000 0.625 1.731) 1.841 37.458 ( 0.000 1.440 10.380) 10.479 37.748 ( 0.000 -5.339 -0.469) 5.360 38.148 ( 0.000 12.148 0.394) 12.154 38.667 ( 0.000 -4.684 -2.845) 5.481 38.950 ( 0.000 0.913 -0.296) 0.960 39.540 ( 0.000 -5.569 10.668) 12.034 40.228 ( 0.000 0.708 -6.988) 7.024 ======================= Grid point 61 (23/75) ======================= q-point: ( 0.20 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 26.376 1.518 -3.023) 26.592 2.517 ( -0.403 2.688 15.167) 15.409 2.738 ( 9.481 2.866 18.463) 20.951 2.904 ( 0.837 -5.654 5.338) 7.820 3.142 ( -3.672 -3.225 10.152) 11.267 3.381 ( -1.357 2.721 -3.230) 4.436 3.493 ( -2.973 4.113 1.123) 5.198 3.602 ( 5.046 -0.456 0.552) 5.096 3.725 ( -3.410 -2.566 4.277) 6.042 3.930 ( -1.618 0.755 5.134) 5.435 4.057 ( -1.780 0.051 6.377) 6.621 4.222 ( 5.862 2.035 -0.683) 6.242 4.430 ( 1.542 0.107 -0.118) 1.550 4.598 ( 0.648 -7.487 0.990) 7.580 4.722 ( 0.973 2.454 3.683) 4.531 4.795 ( -5.081 1.501 -0.036) 5.298 4.883 ( 0.154 2.420 -1.842) 3.045 5.055 ( -2.875 -3.456 -4.019) 6.030 5.089 ( 1.695 2.738 0.630) 3.281 5.130 ( 1.036 0.995 2.858) 3.199 5.328 ( 4.526 1.515 13.282) 14.114 5.489 ( 4.210 6.095 -0.173) 7.409 5.561 ( 4.231 3.625 2.076) 5.946 5.659 ( 6.540 0.612 6.541) 9.270 5.714 ( -0.690 0.422 -3.036) 3.142 6.013 ( -2.948 -2.071 0.017) 3.603 6.079 ( 0.583 -3.674 -0.451) 3.747 6.148 ( -2.475 3.092 -0.631) 4.010 6.255 ( -3.083 5.256 5.287) 8.068 6.334 ( -1.052 5.151 2.526) 5.833 6.472 ( -0.259 -5.416 3.896) 6.677 6.586 ( -5.420 -0.126 4.836) 7.265 6.664 ( -2.855 -2.741 0.525) 3.993 6.759 ( 1.275 -2.878 -0.969) 3.294 6.872 ( 2.088 2.715 -2.505) 4.243 6.930 ( -0.629 0.107 -3.313) 3.373 7.068 ( -1.942 0.320 -3.084) 3.658 7.162 ( -2.477 1.991 4.460) 5.476 7.236 ( -0.118 -0.797 8.255) 8.295 7.301 ( -0.705 1.029 2.237) 2.561 7.444 ( -0.684 1.120 0.800) 1.537 7.534 ( -1.972 -0.156 0.420) 2.023 7.555 ( -1.755 1.157 -2.870) 3.557 7.665 ( 3.191 1.650 -1.043) 3.740 7.754 ( 2.403 -2.741 -4.253) 5.602 7.827 ( 0.088 -5.840 -6.207) 8.523 7.861 ( -1.302 -4.379 -4.639) 6.510 8.038 ( -0.687 -0.763 -3.378) 3.530 8.134 ( 4.614 0.600 3.942) 6.098 8.293 ( -3.132 4.623 -0.915) 5.658 8.412 ( 1.039 3.659 5.063) 6.332 8.454 ( 0.775 -0.285 6.354) 6.407 8.533 ( 3.246 0.664 -2.438) 4.114 8.760 ( 0.563 -5.388 -0.636) 5.455 8.927 ( -4.635 0.602 -4.949) 6.807 8.971 ( -1.195 2.042 -0.901) 2.531 9.256 ( -1.859 4.687 -4.436) 6.716 9.325 ( -0.601 6.792 -0.743) 6.859 9.663 ( -0.109 -4.171 -1.432) 4.411 9.824 ( 0.960 -5.307 3.344) 6.346 10.038 ( 1.722 -2.050 13.788) 14.046 10.162 ( 3.622 3.012 4.117) 6.256 10.329 ( 1.214 -0.960 2.522) 2.959 10.547 ( -3.432 4.238 1.736) 5.723 10.724 ( 6.994 -0.692 -3.177) 7.713 11.429 ( -9.251 -9.144 -24.622) 27.846 16.525 ( 1.103 -1.027 0.491) 1.585 16.637 ( -0.376 1.060 1.470) 1.851 17.154 ( -0.210 -0.825 -1.190) 1.463 17.244 ( -1.415 0.200 1.142) 1.829 17.398 ( 0.177 -0.706 -1.792) 1.934 17.428 ( 0.584 0.330 2.760) 2.840 17.539 ( 0.859 -0.691 -2.195) 2.457 17.640 ( -1.064 1.208 -1.930) 2.513 17.784 ( 1.021 -1.846 -2.063) 2.950 17.851 ( -2.077 -1.009 -4.316) 4.895 17.932 ( 2.176 0.720 -1.429) 2.701 18.020 ( -0.866 0.966 -4.026) 4.230 20.827 ( 0.002 -2.405 2.117) 3.205 20.993 ( -0.180 4.468 1.896) 4.857 21.644 ( 0.011 -1.932 -0.676) 2.046 21.740 ( -0.603 1.370 -0.371) 1.542 22.130 ( 1.563 -0.062 -0.259) 1.585 22.234 ( -0.959 0.040 -0.490) 1.078 26.711 ( -0.172 -1.450 0.480) 1.537 26.803 ( -0.568 2.023 0.745) 2.229 27.240 ( -0.419 -0.182 1.058) 1.152 27.267 ( -1.283 -0.185 -0.775) 1.510 27.403 ( 1.293 0.136 1.020) 1.653 27.477 ( -0.773 0.014 0.748) 1.075 34.799 ( 4.499 -0.940 -1.078) 4.721 34.845 ( 3.557 0.423 -1.441) 3.861 36.078 ( 1.761 -1.000 -2.822) 3.474 36.494 ( -4.937 -0.445 -8.897) 10.185 36.892 ( 4.029 -1.348 2.789) 5.082 37.398 ( -5.773 1.802 8.817) 10.692 37.756 ( 0.730 -5.247 -0.503) 5.322 38.145 ( -0.287 12.062 0.543) 12.078 38.666 ( -0.150 -5.613 -2.498) 6.146 38.943 ( -0.640 2.564 0.223) 2.652 39.560 ( 1.921 -7.778 8.937) 12.003 40.186 ( -3.895 2.841 -4.268) 6.438 ======================= Grid point 62 (24/75) ======================= q-point: ( 0.40 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 25.822 0.438 -3.715) 26.092 2.431 ( -11.267 2.689 3.000) 11.965 2.784 ( -0.077 -10.491 0.345) 10.497 2.970 ( -1.148 -1.099 15.036) 15.120 3.143 ( 6.871 2.930 16.158) 17.801 3.325 ( -4.462 3.992 4.289) 7.365 3.460 ( 0.540 5.759 8.224) 10.055 3.569 ( -5.514 7.839 9.782) 13.695 3.792 ( 8.436 -6.392 1.064) 10.637 3.929 ( -2.357 -2.025 2.639) 4.077 4.042 ( 1.392 -3.610 2.310) 4.507 4.252 ( -2.314 1.000 0.457) 2.562 4.473 ( 2.510 0.342 -2.159) 3.329 4.554 ( -3.661 -4.648 0.955) 5.994 4.704 ( -0.677 -1.934 -3.315) 3.897 4.757 ( 0.712 3.040 0.896) 3.249 4.926 ( 1.916 4.476 0.991) 4.968 4.975 ( -3.591 5.617 1.622) 6.862 5.151 ( 2.521 -1.651 -0.334) 3.033 5.163 ( 1.298 -2.542 -0.539) 2.904 5.430 ( 5.014 2.609 2.766) 6.293 5.576 ( 2.706 7.125 -0.103) 7.622 5.634 ( 4.871 -1.122 3.120) 5.892 5.702 ( -0.438 -2.064 -0.861) 2.279 5.798 ( 6.815 1.536 4.196) 8.149 5.923 ( -6.357 -3.003 -2.759) 7.553 6.054 ( -4.327 3.632 -0.625) 5.684 6.078 ( -3.013 -0.649 0.412) 3.109 6.205 ( -1.049 -0.719 6.071) 6.202 6.341 ( 1.139 6.571 9.709) 11.779 6.443 ( -0.843 1.424 4.159) 4.476 6.503 ( -2.767 0.415 6.713) 7.273 6.651 ( 0.850 -6.327 2.561) 6.879 6.801 ( 3.030 -1.402 1.288) 3.578 6.876 ( -2.570 1.488 -1.743) 3.444 6.958 ( 4.781 1.044 -0.911) 4.978 7.006 ( -4.237 1.748 2.845) 5.394 7.098 ( -4.210 3.012 0.154) 5.179 7.202 ( -0.712 -2.162 3.328) 4.032 7.313 ( -1.328 -0.793 0.362) 1.588 7.412 ( -0.454 -0.356 -1.190) 1.323 7.501 ( -0.437 -0.091 0.024) 0.447 7.554 ( 0.452 2.208 -3.163) 3.884 7.716 ( 1.541 1.783 -2.685) 3.573 7.766 ( -0.834 -2.517 -6.173) 6.718 7.804 ( -0.640 -3.864 -5.866) 7.053 7.897 ( 3.096 -2.728 1.121) 4.276 7.990 ( -3.242 2.273 2.384) 4.622 8.220 ( 2.713 2.634 3.982) 5.491 8.243 ( -1.598 3.674 1.037) 4.138 8.432 ( 1.979 -0.646 2.493) 3.248 8.477 ( -0.262 -0.980 3.598) 3.738 8.597 ( 3.058 -3.068 -5.825) 7.259 8.746 ( -2.357 -4.787 -9.081) 10.533 8.857 ( -0.391 -2.732 -4.947) 5.664 8.986 ( 1.487 0.044 0.238) 1.506 9.169 ( -4.890 7.185 -4.226) 9.664 9.336 ( 0.694 9.072 2.597) 9.462 9.677 ( 0.871 -5.515 3.510) 6.594 9.827 ( -0.318 -2.443 5.070) 5.637 10.098 ( 3.229 -0.811 13.351) 13.760 10.220 ( 2.010 1.438 6.144) 6.623 10.348 ( 1.208 1.113 3.608) 3.964 10.446 ( -5.533 5.124 8.051) 11.032 10.931 ( 13.433 -5.161 -18.301) 23.281 11.201 ( -13.908 -7.184 -22.661) 27.542 16.548 ( 0.916 -1.480 0.825) 1.926 16.627 ( -0.452 1.324 0.772) 1.598 17.153 ( 0.111 -1.396 -0.592) 1.521 17.216 ( -1.140 1.022 1.181) 1.933 17.402 ( 0.181 -1.364 -1.770) 2.242 17.439 ( 0.386 0.100 1.617) 1.665 17.554 ( 0.482 -0.383 -1.955) 2.050 17.625 ( -0.468 1.808 0.304) 1.892 17.798 ( 0.286 -1.609 -2.983) 3.401 17.818 ( -1.029 -1.376 -5.485) 5.747 17.971 ( 1.752 0.748 -1.690) 2.547 18.001 ( -1.087 1.011 -2.723) 3.101 20.828 ( 0.001 -2.418 2.113) 3.211 20.989 ( -0.107 4.505 2.133) 4.985 21.644 ( 0.012 -2.101 -0.580) 2.180 21.730 ( -0.345 1.533 -0.126) 1.576 22.166 ( 1.896 -0.243 -0.528) 1.983 22.209 ( -1.552 0.156 -0.610) 1.675 26.708 ( -0.074 -1.500 0.471) 1.573 26.792 ( -0.385 2.035 0.783) 2.214 27.234 ( -0.107 -0.272 0.449) 0.535 27.245 ( -0.786 -0.068 -0.019) 0.790 27.430 ( 1.305 0.009 0.949) 1.614 27.459 ( -1.103 0.169 0.759) 1.349 34.876 ( 2.612 -1.198 -2.088) 3.552 34.911 ( 2.379 0.311 -2.149) 3.221 36.122 ( 2.249 -3.942 -3.948) 6.016 36.397 ( -3.977 3.974 -8.144) 9.896 36.975 ( 3.656 -5.004 6.204) 8.769 37.280 ( -4.981 3.727 5.003) 7.984 37.769 ( 0.445 -5.214 -0.635) 5.271 38.139 ( -0.229 11.941 0.748) 11.967 38.663 ( -0.110 -7.050 -1.969) 7.320 38.932 ( -0.363 5.105 0.961) 5.207 39.597 ( 1.414 -12.232 5.597) 13.526 40.114 ( -2.609 7.227 0.643) 7.710 ======================= Grid point 65 (25/75) ======================= q-point: ( 0.00 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 3.097 -0.951) 3.239 2.648 ( 0.000 1.393 -6.025) 6.184 2.803 ( 0.000 -7.478 -4.866) 8.922 2.968 ( 0.000 -7.193 2.880) 7.749 3.208 ( 0.000 -1.992 0.192) 2.001 3.349 ( 0.000 -10.759 9.383) 14.276 3.474 ( 0.000 -1.241 -0.381) 1.298 3.503 ( 0.000 9.130 1.102) 9.196 3.831 ( 0.000 -2.234 5.232) 5.689 4.022 ( 0.000 2.772 -2.952) 4.050 4.214 ( 0.000 -3.457 2.012) 4.000 4.221 ( 0.000 -0.548 4.714) 4.745 4.435 ( 0.000 -0.831 3.135) 3.243 4.505 ( 0.000 -7.581 0.343) 7.588 4.704 ( 0.000 2.563 -3.894) 4.662 4.788 ( 0.000 4.093 3.476) 5.370 4.931 ( 0.000 -2.228 -1.898) 2.927 4.975 ( 0.000 -0.242 -0.364) 0.437 5.093 ( 0.000 -0.005 -1.378) 1.378 5.206 ( 0.000 1.474 4.127) 4.383 5.387 ( 0.000 -0.240 -2.341) 2.353 5.417 ( 0.000 3.656 -7.781) 8.597 5.642 ( 0.000 2.505 0.749) 2.614 5.665 ( 0.000 -2.925 2.322) 3.735 5.881 ( 0.000 3.414 3.490) 4.882 5.997 ( 0.000 0.859 0.830) 1.195 6.099 ( 0.000 0.410 0.991) 1.072 6.162 ( 0.000 3.504 -2.903) 4.550 6.294 ( 0.000 -11.615 -5.787) 12.977 6.412 ( 0.000 6.696 0.163) 6.698 6.491 ( 0.000 1.820 6.364) 6.619 6.538 ( 0.000 -6.952 -9.844) 12.052 6.588 ( 0.000 -0.457 2.793) 2.830 6.756 ( 0.000 -0.686 4.640) 4.691 6.867 ( 0.000 -1.361 -0.874) 1.618 6.978 ( 0.000 1.787 2.507) 3.079 7.058 ( 0.000 1.610 -2.376) 2.870 7.264 ( 0.000 -1.631 0.727) 1.786 7.270 ( 0.000 -5.290 -4.392) 6.875 7.389 ( 0.000 4.181 6.321) 7.579 7.466 ( 0.000 -0.767 -1.705) 1.870 7.519 ( 0.000 -0.659 0.511) 0.834 7.615 ( 0.000 -1.337 -0.345) 1.380 7.638 ( 0.000 2.031 0.138) 2.036 7.692 ( 0.000 -0.166 3.163) 3.167 7.738 ( 0.000 -1.319 2.908) 3.193 7.817 ( 0.000 0.257 4.106) 4.114 7.892 ( 0.000 -5.883 -0.948) 5.959 8.072 ( 0.000 2.285 -4.313) 4.881 8.272 ( 0.000 4.495 -2.515) 5.151 8.393 ( 0.000 4.459 -4.326) 6.213 8.548 ( 0.000 2.099 2.941) 3.613 8.714 ( 0.000 -3.966 4.081) 5.691 8.715 ( 0.000 -4.975 0.120) 4.977 8.902 ( 0.000 4.720 -3.290) 5.753 9.042 ( 0.000 4.043 -6.332) 7.513 9.293 ( 0.000 2.406 -0.529) 2.464 9.348 ( 0.000 8.347 3.794) 9.169 9.449 ( 0.000 1.805 -13.779) 13.896 9.776 ( 0.000 -6.459 1.913) 6.736 10.203 ( 0.000 1.910 1.773) 2.607 10.206 ( 0.000 -12.115 13.670) 18.266 10.262 ( 0.000 -3.299 -3.264) 4.641 10.534 ( 0.000 2.820 2.103) 3.517 10.994 ( 0.000 1.443 -4.765) 4.979 11.028 ( 0.000 1.864 -1.548) 2.423 16.511 ( 0.000 -0.804 0.131) 0.814 16.663 ( 0.000 0.012 0.326) 0.327 17.129 ( 0.000 0.078 -1.077) 1.080 17.255 ( 0.000 0.288 -1.495) 1.522 17.395 ( 0.000 -0.335 1.941) 1.969 17.443 ( 0.000 -0.145 -2.231) 2.235 17.522 ( 0.000 -0.394 2.173) 2.208 17.634 ( 0.000 1.636 0.139) 1.642 17.727 ( 0.000 -0.349 -1.083) 1.138 17.876 ( 0.000 -1.054 -0.278) 1.090 17.879 ( 0.000 2.299 1.001) 2.507 18.008 ( 0.000 2.106 0.279) 2.125 20.839 ( 0.000 -2.809 2.168) 3.548 21.059 ( 0.000 1.817 2.010) 2.710 21.618 ( 0.000 -0.977 -0.506) 1.100 21.749 ( 0.000 1.337 -0.793) 1.555 22.114 ( 0.000 0.007 -0.003) 0.008 22.244 ( 0.000 0.025 0.402) 0.403 26.706 ( 0.000 -1.240 0.350) 1.288 26.833 ( 0.000 1.159 0.133) 1.166 27.244 ( 0.000 -0.246 -1.073) 1.100 27.268 ( 0.000 0.437 -0.446) 0.624 27.400 ( 0.000 -0.327 0.176) 0.371 27.494 ( 0.000 -0.466 0.473) 0.664 34.740 ( 0.000 -0.281 -0.357) 0.454 34.796 ( 0.000 0.978 -0.783) 1.253 36.037 ( 0.000 0.997 -0.547) 1.137 36.425 ( 0.000 2.205 -5.191) 5.640 36.897 ( 0.000 -1.560 4.230) 4.509 37.618 ( 0.000 -5.938 10.574) 12.127 37.708 ( 0.000 -3.199 0.802) 3.298 38.267 ( 0.000 13.270 -1.242) 13.328 38.548 ( 0.000 -5.723 -4.760) 7.444 38.923 ( 0.000 2.696 -4.603) 5.334 39.556 ( 0.000 -8.142 -1.308) 8.246 40.158 ( 0.000 4.939 -4.165) 6.461 ======================= Grid point 66 (26/75) ======================= q-point: ( 0.20 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 24.669 2.771 -1.259) 24.856 2.615 ( -3.014 2.601 -5.626) 6.892 2.724 ( -6.466 -7.611 -3.535) 10.595 3.129 ( 12.304 -7.181 -1.729) 14.351 3.194 ( -3.286 -3.790 4.906) 7.017 3.403 ( 4.750 -3.411 6.454) 8.710 3.474 ( 1.567 -2.726 1.277) 3.393 3.543 ( 4.019 5.173 -0.679) 6.586 3.837 ( 1.044 -2.598 5.410) 6.092 3.968 ( -3.263 1.097 0.002) 3.442 4.120 ( -5.529 -6.834 3.651) 9.519 4.279 ( 1.211 1.371 2.414) 3.029 4.444 ( 0.940 0.054 2.033) 2.241 4.532 ( 0.974 -5.190 0.138) 5.282 4.720 ( 0.038 4.514 -5.016) 6.748 4.815 ( -1.383 1.540 3.257) 3.859 4.851 ( -2.158 -0.801 -0.532) 2.362 4.989 ( 3.586 -1.747 0.430) 4.012 5.106 ( 1.092 1.462 -1.487) 2.354 5.202 ( -0.782 1.549 2.135) 2.751 5.414 ( 1.445 1.155 -3.231) 3.723 5.485 ( 6.033 3.298 -5.398) 8.741 5.634 ( -0.584 1.417 -0.951) 1.804 5.669 ( 0.758 -3.242 2.730) 4.306 5.863 ( 0.028 0.811 4.938) 5.004 5.981 ( -3.230 -0.983 -4.071) 5.289 6.077 ( -1.471 1.387 4.456) 4.893 6.138 ( -1.754 5.232 -0.546) 5.545 6.323 ( 1.235 -6.887 -2.286) 7.360 6.410 ( -2.108 0.789 -2.694) 3.510 6.491 ( 2.910 3.528 -1.996) 4.990 6.577 ( 1.847 -5.623 -0.078) 5.919 6.608 ( 0.442 -3.082 0.368) 3.135 6.712 ( -0.975 -1.381 3.396) 3.793 6.877 ( 0.999 0.127 0.229) 1.033 6.952 ( -2.026 1.442 1.453) 2.880 7.069 ( 1.096 2.211 -2.192) 3.301 7.198 ( -4.455 -2.993 -1.151) 5.490 7.280 ( -2.751 -2.202 -2.251) 4.181 7.396 ( 0.436 2.080 1.158) 2.421 7.441 ( -2.507 -1.116 -0.547) 2.798 7.480 ( -1.687 1.197 6.454) 6.777 7.559 ( -3.909 -2.245 1.305) 4.693 7.667 ( -0.166 -0.127 -0.323) 0.385 7.686 ( -0.059 1.574 0.312) 1.606 7.770 ( 3.280 -0.788 2.172) 4.012 7.796 ( 0.738 -0.376 -0.093) 0.833 7.982 ( 6.456 -1.023 1.294) 6.664 8.141 ( 5.700 0.397 -2.171) 6.112 8.296 ( 2.009 4.383 -1.090) 4.943 8.371 ( -1.525 2.221 -5.125) 5.790 8.533 ( -1.368 2.000 1.949) 3.109 8.652 ( -4.039 -2.410 1.587) 4.964 8.718 ( -2.710 -5.842 -4.612) 7.921 8.851 ( -6.159 2.717 5.247) 8.535 9.004 ( -1.232 2.132 -0.160) 2.467 9.191 ( -2.665 9.346 -8.068) 12.631 9.391 ( 0.196 5.149 -0.928) 5.236 9.560 ( 7.438 -1.694 -6.036) 9.728 9.808 ( 2.802 -4.786 0.398) 5.560 10.192 ( 0.561 -7.907 8.192) 11.400 10.242 ( 1.736 -2.439 3.569) 4.658 10.309 ( 5.232 -1.280 -4.696) 7.147 10.544 ( 1.157 3.045 5.428) 6.331 10.927 ( -7.101 -3.189 -11.580) 13.953 10.974 ( -4.862 6.072 6.107) 9.890 16.522 ( 1.032 -0.929 0.113) 1.393 16.658 ( -0.570 0.169 0.258) 0.648 17.128 ( -0.091 -0.216 -0.907) 0.937 17.245 ( -0.932 0.518 -1.444) 1.795 17.390 ( -0.372 -0.617 1.815) 1.953 17.447 ( 0.333 -0.381 -1.544) 1.625 17.534 ( 0.997 -0.104 2.099) 2.326 17.636 ( 0.311 1.476 -0.081) 1.510 17.736 ( 0.858 -0.155 -0.982) 1.313 17.826 ( -2.799 0.236 1.082) 3.011 17.922 ( 2.008 1.172 -0.677) 2.421 18.000 ( -0.665 2.083 0.054) 2.187 20.839 ( -0.000 -2.807 2.169) 3.548 21.058 ( -0.072 1.801 1.993) 2.687 21.617 ( -0.021 -1.031 -0.545) 1.166 21.744 ( -0.434 1.312 -0.777) 1.585 22.128 ( 1.414 0.018 0.031) 1.414 22.234 ( -1.016 0.068 0.355) 1.078 26.705 ( -0.140 -1.244 0.389) 1.311 26.827 ( -0.551 1.108 0.172) 1.249 27.238 ( -0.609 -0.161 -1.110) 1.276 27.256 ( -1.001 0.324 -0.427) 1.135 27.414 ( 1.238 -0.321 0.196) 1.294 27.486 ( -0.747 -0.427 0.441) 0.967 34.778 ( 3.586 -0.103 -0.598) 3.637 34.832 ( 3.283 1.072 -0.893) 3.567 36.043 ( 0.658 0.442 -0.620) 1.006 36.392 ( -3.079 3.324 -5.028) 6.768 36.942 ( 4.529 -3.012 5.239) 7.552 37.535 ( -7.619 -4.893 8.579) 12.473 37.722 ( 0.993 -3.112 1.701) 3.683 38.267 ( -0.119 13.158 -0.965) 13.194 38.540 ( -0.691 -6.421 -4.981) 8.155 38.934 ( 1.060 3.422 -4.417) 5.688 39.544 ( -1.080 -8.655 -1.354) 8.826 40.155 ( -0.317 5.042 -3.830) 6.340 ======================= Grid point 67 (27/75) ======================= q-point: ( 0.40 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 25.500 2.237 -1.884) 25.667 2.456 ( -15.182 3.573 -2.776) 15.841 2.644 ( -0.915 -6.476 -5.444) 8.510 3.092 ( -4.094 -6.499 0.335) 7.688 3.317 ( 5.664 -0.782 1.413) 5.890 3.394 ( -3.102 -0.153 0.512) 3.148 3.614 ( 8.047 -3.609 9.363) 12.863 3.662 ( 6.396 -1.234 -4.656) 8.007 3.836 ( 0.094 -1.864 8.801) 8.997 3.921 ( -3.997 -2.593 -0.972) 4.862 4.057 ( -0.295 -6.522 6.589) 9.276 4.286 ( -0.257 -1.667 -1.243) 2.095 4.447 ( 0.429 0.790 3.381) 3.498 4.513 ( -3.117 -3.363 0.117) 4.587 4.632 ( -3.923 1.216 -0.371) 4.124 4.782 ( -0.473 4.758 0.693) 4.832 4.941 ( 5.780 2.367 -4.918) 7.950 5.031 ( -1.469 2.725 -0.379) 3.119 5.149 ( 3.160 0.073 -0.310) 3.176 5.184 ( -0.631 -0.332 2.911) 2.997 5.439 ( 1.372 1.732 -2.003) 2.982 5.579 ( 2.955 2.359 -4.898) 6.187 5.630 ( -0.073 -1.337 -2.062) 2.458 5.713 ( 3.390 0.709 1.506) 3.777 5.877 ( -0.736 -1.582 2.981) 3.454 5.914 ( -1.742 0.820 0.193) 1.935 6.035 ( -1.512 -0.462 -1.957) 2.515 6.100 ( -2.897 4.206 2.839) 5.844 6.267 ( -3.524 -5.335 2.779) 6.972 6.441 ( 2.983 0.187 -1.921) 3.552 6.492 ( -1.300 1.490 -1.765) 2.651 6.595 ( 1.579 -5.602 -3.718) 6.907 6.642 ( 0.039 0.468 5.208) 5.229 6.735 ( 1.930 -4.654 -2.510) 5.629 6.912 ( 2.479 0.792 1.739) 3.130 6.948 ( 2.518 -1.041 1.543) 3.131 7.084 ( -1.138 0.995 -3.535) 3.844 7.105 ( -3.891 3.292 0.955) 5.186 7.174 ( -5.594 -2.366 -2.826) 6.699 7.358 ( -1.988 -3.460 -1.020) 4.119 7.443 ( -1.174 -1.173 3.312) 3.705 7.455 ( -0.700 1.445 -0.290) 1.632 7.516 ( 0.971 0.844 3.043) 3.303 7.661 ( -0.424 2.633 1.282) 2.958 7.677 ( 0.222 0.131 -1.318) 1.343 7.789 ( -0.165 0.812 2.366) 2.507 7.904 ( 7.229 -0.091 0.389) 7.240 8.038 ( -2.098 1.555 1.025) 2.805 8.247 ( 4.597 -0.200 -0.662) 4.649 8.305 ( -0.622 3.741 -0.278) 3.802 8.386 ( 2.237 -1.123 -3.604) 4.388 8.501 ( -1.716 0.522 -1.766) 2.517 8.576 ( -3.193 -1.700 -1.965) 4.116 8.602 ( -5.536 -2.394 -0.319) 6.040 8.787 ( -0.762 -2.728 6.979) 7.532 9.020 ( 1.567 2.790 0.205) 3.207 9.156 ( -1.506 9.887 -7.781) 12.671 9.394 ( 0.194 5.340 -3.160) 6.208 9.651 ( 2.194 -5.544 -0.484) 5.982 9.849 ( 0.973 -3.108 -1.521) 3.595 10.227 ( 2.118 -5.685 3.965) 7.247 10.267 ( 0.839 -2.091 0.803) 2.391 10.431 ( 6.433 -0.997 -6.269) 9.038 10.574 ( 1.105 2.686 5.011) 5.791 10.767 ( -7.264 -1.305 -4.937) 8.880 10.875 ( -4.381 4.822 5.565) 8.568 16.543 ( 0.868 -1.252 0.056) 1.525 16.645 ( -0.593 0.539 0.161) 0.818 17.127 ( 0.051 -0.733 -0.723) 1.031 17.227 ( -0.710 0.839 -1.108) 1.561 17.386 ( -0.071 -0.987 1.670) 1.941 17.452 ( 0.176 -0.596 -0.886) 1.082 17.550 ( 0.525 0.303 2.129) 2.214 17.644 ( 0.401 1.270 -0.715) 1.512 17.753 ( 0.874 0.103 -0.087) 0.885 17.778 ( -1.942 0.028 1.193) 2.279 17.952 ( 1.046 1.605 -1.206) 2.264 17.988 ( -0.562 1.989 -0.757) 2.201 20.839 ( 0.000 -2.805 2.171) 3.547 21.057 ( -0.044 1.775 1.965) 2.649 21.617 ( -0.011 -1.122 -0.613) 1.278 21.736 ( -0.256 1.285 -0.742) 1.506 22.161 ( 1.739 -0.066 0.120) 1.744 22.208 ( -1.505 0.231 0.243) 1.542 26.702 ( -0.077 -1.257 0.442) 1.334 26.817 ( -0.368 1.033 0.239) 1.122 27.228 ( -0.319 -0.054 -0.831) 0.892 27.240 ( -0.540 0.204 -0.736) 0.935 27.439 ( 1.241 -0.415 0.268) 1.335 27.468 ( -1.041 -0.294 0.357) 1.139 34.843 ( 2.331 0.212 -1.018) 2.552 34.890 ( 2.009 1.222 -1.085) 2.590 36.058 ( 0.619 -1.015 -0.833) 1.452 36.335 ( -2.088 5.522 -4.688) 7.539 37.046 ( 5.081 -6.792 8.502) 12.010 37.379 ( -6.890 -1.809 5.141) 8.785 37.737 ( 0.456 -2.925 1.888) 3.511 38.263 ( -0.163 12.917 -0.583) 12.931 38.529 ( -0.365 -7.240 -5.284) 8.971 38.953 ( 0.616 4.550 -4.194) 6.219 39.525 ( -0.684 -9.542 -1.405) 9.669 40.149 ( -0.191 5.201 -3.311) 6.169 ======================= Grid point 70 (28/75) ======================= q-point: ( 0.00 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.000 2.588 -0.341) 2.610 2.412 ( 0.000 -8.693 -17.674) 19.696 2.587 ( 0.000 -20.363 -19.718) 28.345 2.609 ( 0.000 -3.171 -8.850) 9.401 3.277 ( 0.000 3.032 -1.517) 3.391 3.305 ( 0.000 -9.535 2.962) 9.985 3.547 ( 0.000 -0.891 7.267) 7.321 3.657 ( 0.000 5.859 -2.016) 6.196 3.928 ( 0.000 -6.117 11.130) 12.701 4.011 ( 0.000 0.220 -1.547) 1.563 4.105 ( 0.000 -13.583 -6.656) 15.126 4.164 ( 0.000 -0.313 -1.514) 1.546 4.425 ( 0.000 -4.768 -1.021) 4.876 4.490 ( 0.000 -3.129 1.740) 3.580 4.736 ( 0.000 3.947 1.084) 4.093 4.835 ( 0.000 -7.837 -14.872) 16.811 4.929 ( 0.000 5.115 3.547) 6.224 5.009 ( 0.000 2.087 1.359) 2.490 5.028 ( 0.000 -0.782 -3.519) 3.604 5.127 ( 0.000 -5.363 -10.534) 11.820 5.291 ( 0.000 -1.264 3.562) 3.779 5.424 ( 0.000 4.108 2.047) 4.590 5.498 ( 0.000 -9.809 -5.490) 11.241 5.715 ( 0.000 2.230 1.763) 2.843 5.782 ( 0.000 -4.459 -3.511) 5.675 6.014 ( 0.000 0.974 -1.831) 2.074 6.059 ( 0.000 -2.443 -0.152) 2.448 6.162 ( 0.000 -0.985 -7.656) 7.719 6.222 ( 0.000 1.094 -1.529) 1.880 6.327 ( 0.000 5.090 1.981) 5.462 6.534 ( 0.000 6.514 -2.683) 7.045 6.553 ( 0.000 -6.631 3.390) 7.447 6.650 ( 0.000 -1.253 -1.612) 2.041 6.790 ( 0.000 5.386 -0.141) 5.388 6.842 ( 0.000 -1.690 2.318) 2.869 6.945 ( 0.000 -3.748 -4.640) 5.965 7.041 ( 0.000 2.276 0.117) 2.279 7.172 ( 0.000 -4.816 -0.948) 4.909 7.226 ( 0.000 -3.097 -3.043) 4.342 7.356 ( 0.000 -1.983 0.502) 2.046 7.550 ( 0.000 6.361 2.627) 6.883 7.559 ( 0.000 -0.824 1.357) 1.587 7.626 ( 0.000 0.140 -2.251) 2.255 7.649 ( 0.000 -1.656 3.100) 3.515 7.774 ( 0.000 -5.280 6.607) 8.457 7.784 ( 0.000 4.449 3.794) 5.847 7.923 ( 0.000 1.093 -0.029) 1.093 7.951 ( 0.000 0.632 4.398) 4.443 8.026 ( 0.000 1.726 1.952) 2.605 8.343 ( 0.000 4.884 -0.551) 4.915 8.358 ( 0.000 1.388 -2.777) 3.104 8.537 ( 0.000 -4.921 -4.251) 6.503 8.608 ( 0.000 -1.624 0.257) 1.644 8.644 ( 0.000 -3.144 0.112) 3.146 8.929 ( 0.000 8.109 -11.057) 13.712 8.984 ( 0.000 0.452 3.209) 3.241 9.295 ( 0.000 1.078 -0.311) 1.122 9.299 ( 0.000 0.952 -2.605) 2.774 9.543 ( 0.000 6.234 5.852) 8.550 9.735 ( 0.000 -4.758 -0.417) 4.777 10.149 ( 0.000 -3.593 -4.527) 5.780 10.233 ( 0.000 1.313 -0.960) 1.627 10.253 ( 0.000 -10.624 4.921) 11.708 10.607 ( 0.000 -6.032 -14.649) 15.842 10.639 ( 0.000 2.740 5.233) 5.907 11.426 ( 0.000 18.066 13.225) 22.389 16.502 ( 0.000 -0.780 -0.251) 0.819 16.653 ( 0.000 -1.201 -0.748) 1.415 17.128 ( 0.000 2.161 -0.387) 2.195 17.222 ( 0.000 0.318 -2.272) 2.294 17.344 ( 0.000 -0.163 -6.594) 6.596 17.467 ( 0.000 -0.650 5.086) 5.127 17.582 ( 0.000 -0.330 4.935) 4.946 17.682 ( 0.000 2.722 2.263) 3.540 17.730 ( 0.000 0.982 0.464) 1.086 17.877 ( 0.000 0.115 1.698) 1.702 17.956 ( 0.000 3.335 4.377) 5.503 18.066 ( 0.000 2.784 3.208) 4.247 20.846 ( 0.000 -3.593 2.231) 4.229 21.095 ( 0.000 -1.607 2.163) 2.695 21.613 ( 0.000 0.680 0.093) 0.686 21.744 ( 0.000 1.208 -1.218) 1.716 22.114 ( 0.000 0.023 0.022) 0.032 22.257 ( 0.000 0.144 1.037) 1.047 26.701 ( 0.000 -0.845 0.297) 0.895 26.833 ( 0.000 -0.152 -0.624) 0.642 27.214 ( 0.000 -0.255 -1.943) 1.960 27.268 ( 0.000 1.001 -0.431) 1.090 27.389 ( 0.000 -0.901 -0.743) 1.168 27.491 ( 0.000 -0.783 -0.106) 0.790 34.735 ( 0.000 0.185 -0.249) 0.310 34.799 ( 0.000 1.437 -0.258) 1.460 36.068 ( 0.000 2.764 1.920) 3.365 36.399 ( 0.000 6.459 -2.931) 7.093 36.959 ( 0.000 -3.824 6.053) 7.160 37.704 ( 0.000 -11.995 9.954) 15.587 37.717 ( 0.000 -1.376 2.769) 3.092 38.312 ( 0.000 6.342 -8.127) 10.308 38.447 ( 0.000 1.357 -0.861) 1.607 38.852 ( 0.000 3.828 -7.385) 8.318 39.364 ( 0.000 -8.009 -10.722) 13.382 40.153 ( 0.000 6.722 -4.184) 7.918 ======================= Grid point 71 (29/75) ======================= q-point: ( 0.20 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 24.998 3.684 0.337) 25.270 2.422 ( 0.895 -5.608 -16.344) 17.303 2.550 ( -3.668 -4.151 -7.989) 9.721 2.783 ( 15.980 -17.786 -15.963) 28.749 3.167 ( -8.746 -4.886 -1.622) 10.149 3.386 ( 2.733 -4.216 -3.068) 5.886 3.524 ( -1.768 0.259 3.380) 3.824 3.670 ( 2.185 1.622 0.682) 2.805 3.852 ( -4.540 -4.948 1.124) 6.808 3.945 ( -3.375 -6.886 1.406) 7.797 4.097 ( -0.393 -6.494 2.621) 7.014 4.272 ( 3.882 -0.340 -1.247) 4.092 4.459 ( 1.184 -1.967 1.350) 2.663 4.507 ( 3.408 -4.378 -0.975) 5.633 4.706 ( -0.895 2.850 -3.371) 4.504 4.856 ( -1.204 -2.428 0.507) 2.757 4.920 ( 3.837 3.111 -7.948) 9.358 4.988 ( -2.567 -1.439 2.613) 3.935 5.069 ( 3.133 2.634 2.217) 4.655 5.155 ( 2.358 -5.885 -6.741) 9.254 5.276 ( -0.303 -3.117 -1.685) 3.556 5.464 ( 3.782 3.097 -2.439) 5.463 5.577 ( 6.470 -2.676 -0.854) 7.053 5.715 ( -1.197 4.852 2.358) 5.526 5.776 ( 1.201 -9.470 -6.076) 11.316 5.948 ( -2.940 -0.506 0.596) 3.042 6.090 ( -0.406 0.034 -1.282) 1.345 6.159 ( -0.981 -3.968 -6.440) 7.628 6.258 ( 2.624 1.672 0.700) 3.189 6.335 ( -4.386 1.182 -5.054) 6.795 6.408 ( -4.267 1.795 -1.038) 4.744 6.573 ( -3.670 0.082 -1.527) 3.976 6.653 ( 0.863 -3.872 1.039) 4.101 6.694 ( -0.493 0.392 -0.086) 0.636 6.861 ( 0.300 0.268 -2.905) 2.933 6.994 ( -0.182 1.701 2.912) 3.377 7.064 ( 2.398 1.909 0.162) 3.069 7.104 ( -3.675 -5.622 -2.349) 7.115 7.232 ( -2.018 -1.407 -0.465) 2.504 7.322 ( -2.228 -3.120 -3.048) 4.898 7.482 ( -2.329 3.628 -1.475) 4.556 7.564 ( -6.158 -0.032 0.057) 6.158 7.646 ( -0.030 0.309 2.754) 2.771 7.672 ( 4.509 1.938 4.627) 6.745 7.718 ( 0.193 -1.186 3.160) 3.380 7.847 ( 0.926 3.870 2.008) 4.457 7.878 ( 0.592 0.804 6.631) 6.705 8.024 ( 4.510 -1.021 0.877) 4.706 8.108 ( 5.310 -1.667 1.672) 5.812 8.275 ( -2.774 0.167 -6.684) 7.239 8.403 ( 1.160 3.607 5.144) 6.388 8.498 ( -2.654 -3.717 -4.374) 6.324 8.609 ( -0.151 1.241 4.528) 4.698 8.654 ( 1.081 -2.665 0.009) 2.876 8.927 ( -0.886 8.115 -10.601) 13.380 8.995 ( 1.400 -0.702 2.719) 3.138 9.189 ( -6.891 4.685 0.098) 8.333 9.373 ( 2.005 -0.441 -2.292) 3.077 9.510 ( 0.351 1.761 0.566) 1.883 9.744 ( -0.300 -3.947 -2.455) 4.658 10.163 ( 0.770 -7.605 -2.386) 8.008 10.213 ( -0.468 -3.334 -0.444) 3.396 10.274 ( 1.437 -2.371 0.662) 2.851 10.531 ( -5.441 -5.223 -13.710) 15.648 10.768 ( 10.309 5.011 8.716) 14.400 11.365 ( -6.201 16.923 13.618) 22.590 16.511 ( 0.787 -0.908 -0.334) 1.247 16.650 ( -0.329 -0.924 -0.689) 1.198 17.125 ( -0.271 1.727 -0.350) 1.782 17.214 ( -0.672 0.331 -2.242) 2.364 17.361 ( 1.555 -0.338 -5.579) 5.801 17.454 ( -1.129 -0.667 4.225) 4.424 17.599 ( 1.470 -0.104 5.181) 5.386 17.662 ( -1.325 1.417 1.358) 2.368 17.757 ( 2.137 2.139 1.765) 3.501 17.865 ( -1.209 0.913 2.484) 2.910 17.958 ( 0.253 2.818 3.014) 4.133 18.049 ( -1.597 2.644 2.610) 4.043 20.846 ( 0.011 -3.602 2.253) 4.249 21.091 ( -0.361 -1.769 1.829) 2.570 21.610 ( -0.230 0.639 -0.060) 0.682 21.737 ( -0.547 1.073 -1.322) 1.789 22.132 ( 1.683 0.167 0.292) 1.717 22.247 ( -1.022 0.217 1.010) 1.453 26.701 ( -0.067 -0.872 0.380) 0.954 26.828 ( -0.527 -0.225 -0.585) 0.819 27.209 ( -0.386 -0.104 -1.923) 1.964 27.253 ( -1.400 0.762 -0.632) 1.714 27.404 ( 1.338 -0.838 -0.642) 1.704 27.483 ( -0.793 -0.764 -0.157) 1.112 34.779 ( 3.963 1.009 0.180) 4.094 34.836 ( 3.482 1.690 -0.241) 3.878 36.070 ( 0.203 2.632 1.939) 3.275 36.376 ( -2.027 6.996 -2.653) 7.752 37.007 ( 4.960 -5.163 6.942) 9.972 37.597 ( -8.294 -8.524 6.954) 13.777 37.757 ( 1.632 -3.409 5.514) 6.685 38.314 ( 0.056 4.977 -8.460) 9.816 38.428 ( -1.586 2.329 -0.865) 2.947 38.862 ( 0.905 3.565 -7.949) 8.758 39.366 ( 0.205 -7.699 -9.372) 12.131 40.132 ( -1.888 5.377 -5.544) 7.950 ======================= Grid point 72 (30/75) ======================= q-point: ( 0.40 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 23.171 4.151 -0.461) 23.545 2.387 ( -7.046 1.452 -9.728) 12.099 2.504 ( 0.064 -2.766 -4.913) 5.639 2.936 ( -7.987 -7.378 -6.810) 12.830 3.108 ( 10.485 -14.971 -13.031) 22.447 3.331 ( -5.236 -9.615 -4.848) 11.974 3.577 ( 5.434 -0.419 -4.790) 7.256 3.676 ( -3.573 -3.386 -1.696) 5.206 3.824 ( 1.842 -7.292 0.292) 7.527 3.885 ( -2.921 -4.176 0.993) 5.192 4.117 ( 1.709 -6.623 4.903) 8.416 4.272 ( -1.711 0.312 2.827) 3.320 4.440 ( -1.173 -0.929 0.916) 1.754 4.580 ( 2.007 -3.434 0.851) 4.067 4.738 ( 4.164 4.202 1.716) 6.159 4.849 ( -5.536 1.440 5.085) 7.654 4.907 ( 3.098 1.497 -0.920) 3.562 4.985 ( -1.527 1.620 -4.322) 4.862 5.116 ( 1.371 -0.155 -0.996) 1.702 5.218 ( 1.837 -1.748 0.396) 2.566 5.369 ( 11.966 -4.848 -5.947) 14.214 5.504 ( 0.419 2.885 -2.292) 3.708 5.620 ( -5.291 2.339 0.127) 5.786 5.726 ( 2.911 2.300 -1.471) 3.991 5.841 ( 4.183 -6.486 -4.777) 9.077 5.919 ( -2.145 -2.443 0.912) 3.377 5.978 ( -7.389 -3.188 -1.505) 8.187 6.130 ( -0.596 -5.269 -5.352) 7.534 6.229 ( -1.083 -0.322 -8.216) 8.294 6.264 ( -3.638 1.004 -4.083) 5.560 6.391 ( 1.633 1.080 -2.606) 3.260 6.573 ( -0.225 -7.182 -3.346) 7.927 6.641 ( 0.422 -1.490 5.464) 5.679 6.722 ( 1.052 4.266 -1.308) 4.584 6.877 ( 0.517 -2.771 -1.925) 3.414 6.971 ( -0.354 0.973 -1.060) 1.482 7.042 ( -0.881 -6.279 -0.422) 6.354 7.107 ( 1.774 2.322 0.988) 3.085 7.189 ( -2.656 4.159 2.838) 5.693 7.252 ( -4.740 -2.945 -2.185) 5.993 7.425 ( -2.934 -0.665 -3.178) 4.376 7.488 ( -0.976 6.682 -3.473) 7.594 7.622 ( -0.470 -0.048 3.287) 3.320 7.739 ( 1.598 1.278 2.534) 3.257 7.764 ( 1.903 1.783 7.208) 7.665 7.854 ( 2.198 2.677 1.542) 3.791 7.908 ( 0.126 -2.158 2.473) 3.284 8.046 ( -1.368 -4.025 1.253) 4.432 8.196 ( 4.401 -3.835 -3.498) 6.805 8.262 ( -1.632 -1.451 -2.753) 3.514 8.402 ( 1.925 3.722 3.811) 5.664 8.479 ( -1.266 0.965 2.234) 2.743 8.618 ( 1.370 2.791 6.543) 7.244 8.652 ( -1.540 0.541 4.100) 4.413 8.897 ( -1.334 1.773 0.106) 2.222 9.028 ( 1.560 3.600 -5.665) 6.891 9.075 ( -3.798 6.281 -4.978) 8.869 9.376 ( -0.282 -0.761 -1.021) 1.304 9.570 ( 3.346 -3.650 -2.527) 5.559 9.718 ( -1.784 -2.649 -6.928) 7.629 10.175 ( 0.636 -9.649 -0.917) 9.713 10.217 ( 0.199 -4.044 -3.189) 5.154 10.314 ( 3.164 -1.193 -2.958) 4.493 10.415 ( -6.082 -4.057 -10.495) 12.790 10.988 ( 12.061 10.358 13.637) 20.946 11.205 ( -10.268 13.954 14.050) 22.306 16.526 ( 0.579 -1.195 -0.552) 1.438 16.643 ( -0.304 -0.377 -0.511) 0.704 17.121 ( -0.151 0.993 -0.331) 1.058 17.203 ( -0.381 0.395 -1.994) 2.068 17.393 ( 1.545 -0.775 -3.623) 4.014 17.431 ( -1.181 -0.516 2.503) 2.815 17.624 ( 1.000 0.198 5.124) 5.225 17.642 ( -0.779 0.576 1.207) 1.548 17.794 ( 1.455 2.025 3.040) 3.932 17.839 ( -1.190 2.577 3.540) 4.538 17.970 ( 1.103 2.530 1.101) 2.972 18.013 ( -1.898 2.227 1.413) 3.250 20.847 ( 0.008 -3.616 2.292) 4.281 21.085 ( -0.219 -2.017 1.300) 2.410 21.606 ( -0.144 0.578 -0.307) 0.670 21.729 ( -0.284 0.919 -1.395) 1.694 22.169 ( 1.826 0.255 0.679) 1.965 22.221 ( -1.463 0.418 0.933) 1.785 26.700 ( -0.038 -0.903 0.505) 1.035 26.818 ( -0.334 -0.318 -0.492) 0.675 27.207 ( 0.302 0.189 -1.562) 1.602 27.226 ( -1.227 0.426 -1.186) 1.759 27.430 ( 1.232 -0.883 -0.505) 1.597 27.464 ( -1.026 -0.670 -0.274) 1.256 34.847 ( 2.330 1.897 0.279) 3.018 34.899 ( 2.244 2.381 0.101) 3.273 36.074 ( 0.137 2.397 1.983) 3.114 36.341 ( -1.229 7.954 -2.165) 8.335 37.130 ( 6.740 -9.147 10.349) 15.369 37.422 ( -8.491 -5.556 4.467) 11.087 37.779 ( 0.670 -2.389 5.703) 6.219 38.312 ( -0.174 2.163 -9.051) 9.307 38.404 ( -0.714 4.547 -0.740) 4.662 38.877 ( 0.461 3.248 -8.922) 9.506 39.370 ( 0.116 -7.170 -7.122) 10.107 40.099 ( -1.134 3.250 -7.748) 8.478 ======================= Grid point 75 (31/75) ======================= q-point: ( 0.00 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 0.288 -0.708) 0.764 1.921 ( 0.000 -22.033 -20.403) 30.029 2.005 ( 0.000 -24.742 -21.130) 32.536 2.461 ( 0.000 2.220 -8.590) 8.872 3.251 ( 0.000 -8.228 -1.224) 8.319 3.258 ( 0.000 5.587 -4.918) 7.443 3.516 ( 0.000 -17.162 -24.972) 30.301 3.584 ( 0.000 -5.846 1.055) 5.941 3.643 ( 0.000 -14.456 -12.577) 19.161 3.967 ( 0.000 -4.216 -0.071) 4.216 3.994 ( 0.000 -10.685 -7.036) 12.794 4.201 ( 0.000 4.814 0.895) 4.896 4.267 ( 0.000 -14.315 -5.175) 15.221 4.330 ( 0.000 -7.678 -2.848) 8.190 4.566 ( 0.000 -1.562 3.409) 3.750 4.760 ( 0.000 -3.357 -1.046) 3.516 4.886 ( 0.000 -0.999 -11.465) 11.509 4.892 ( 0.000 -3.079 -2.177) 3.771 5.094 ( 0.000 3.629 3.938) 5.355 5.171 ( 0.000 8.682 4.385) 9.727 5.368 ( 0.000 -2.515 9.689) 10.011 5.457 ( 0.000 0.025 2.778) 2.778 5.544 ( 0.000 4.354 5.776) 7.233 5.687 ( 0.000 -0.759 1.560) 1.735 5.863 ( 0.000 4.466 3.817) 5.875 5.953 ( 0.000 2.621 -8.227) 8.634 5.996 ( 0.000 -2.255 -4.896) 5.390 6.067 ( 0.000 1.385 1.038) 1.731 6.194 ( 0.000 0.912 -0.739) 1.174 6.412 ( 0.000 3.112 -5.686) 6.482 6.497 ( 0.000 -10.715 1.401) 10.806 6.502 ( 0.000 3.283 -1.195) 3.493 6.636 ( 0.000 -0.962 3.078) 3.225 6.815 ( 0.000 -2.247 -4.119) 4.692 6.823 ( 0.000 -1.791 0.961) 2.032 6.911 ( 0.000 5.997 1.984) 6.316 7.016 ( 0.000 -0.053 -3.838) 3.839 7.118 ( 0.000 -4.552 0.861) 4.632 7.229 ( 0.000 2.659 1.063) 2.863 7.385 ( 0.000 -2.319 2.602) 3.486 7.477 ( 0.000 -6.450 -11.117) 12.853 7.577 ( 0.000 -0.494 -5.072) 5.096 7.596 ( 0.000 1.322 3.852) 4.072 7.700 ( 0.000 4.165 1.646) 4.478 7.802 ( 0.000 -1.030 -2.463) 2.670 7.842 ( 0.000 2.681 -3.748) 4.608 7.900 ( 0.000 4.316 0.172) 4.320 7.944 ( 0.000 -6.215 2.897) 6.857 8.150 ( 0.000 1.539 7.576) 7.730 8.293 ( 0.000 -4.377 -2.542) 5.062 8.350 ( 0.000 0.475 6.454) 6.471 8.543 ( 0.000 -4.510 0.563) 4.545 8.567 ( 0.000 -2.510 -1.846) 3.116 8.700 ( 0.000 -1.086 5.030) 5.146 8.826 ( 0.000 4.805 -2.656) 5.490 9.063 ( 0.000 -1.172 6.453) 6.559 9.309 ( 0.000 -0.897 1.157) 1.464 9.389 ( 0.000 3.573 8.574) 9.289 9.620 ( 0.000 2.737 -1.488) 3.115 9.674 ( 0.000 -1.302 -3.238) 3.490 10.006 ( 0.000 -4.604 -7.607) 8.892 10.173 ( 0.000 -5.341 -4.339) 6.881 10.231 ( 0.000 1.904 -0.775) 2.056 10.409 ( 0.000 -2.199 -4.695) 5.184 10.731 ( 0.000 1.410 2.859) 3.188 11.771 ( 0.000 22.686 2.513) 22.825 16.487 ( 0.000 -0.696 -0.651) 0.953 16.618 ( 0.000 -2.362 -1.148) 2.626 17.143 ( 0.000 3.144 -1.611) 3.532 17.200 ( 0.000 0.850 -0.387) 0.934 17.234 ( 0.000 0.775 -5.974) 6.024 17.532 ( 0.000 -2.054 3.043) 3.671 17.670 ( 0.000 0.568 4.293) 4.331 17.743 ( 0.000 2.177 2.265) 3.142 17.768 ( 0.000 1.977 2.792) 3.421 17.953 ( 0.000 2.087 5.790) 6.155 18.077 ( 0.000 4.159 4.931) 6.451 18.156 ( 0.000 3.137 3.482) 4.686 20.845 ( 0.000 -4.378 2.152) 4.878 21.110 ( 0.000 -4.483 3.476) 5.673 21.629 ( 0.000 1.656 0.298) 1.682 21.731 ( 0.000 1.388 -1.750) 2.233 22.115 ( 0.000 0.036 0.033) 0.049 22.281 ( 0.000 0.427 1.360) 1.426 26.699 ( 0.000 -0.582 0.241) 0.630 26.813 ( 0.000 -0.981 -0.952) 1.368 27.177 ( 0.000 -0.518 -1.905) 1.974 27.273 ( 0.000 1.440 -0.474) 1.516 27.361 ( 0.000 -1.226 -1.087) 1.639 27.476 ( 0.000 -0.883 -0.620) 1.079 34.730 ( 0.000 0.049 -0.459) 0.462 34.814 ( 0.000 1.655 0.190) 1.666 36.141 ( 0.000 2.527 2.988) 3.913 36.449 ( 0.000 11.861 -1.594) 11.967 37.033 ( 0.000 -5.077 7.914) 9.402 37.752 ( 0.000 -13.708 11.167) 17.681 37.766 ( 0.000 -0.728 3.638) 3.710 38.166 ( 0.000 0.235 -9.710) 9.713 38.498 ( 0.000 7.685 -1.250) 7.786 38.736 ( 0.000 2.210 -9.953) 10.195 39.072 ( 0.000 -7.940 -13.063) 15.287 40.114 ( 0.000 8.749 -9.785) 13.126 ======================= Grid point 76 (32/75) ======================= q-point: ( 0.20 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 27.268 3.896 0.885) 27.559 1.986 ( 7.674 -18.059 -18.752) 27.141 2.248 ( 18.705 -18.028 -18.213) 31.727 2.449 ( 0.387 -1.907 -7.147) 7.407 3.079 ( -11.178 -4.124 -5.800) 13.251 3.275 ( -8.003 -5.151 -5.791) 11.140 3.437 ( -4.368 -7.103 -9.731) 12.815 3.590 ( -0.068 -9.767 -5.661) 11.289 3.687 ( 6.928 -10.640 -11.877) 17.386 3.934 ( -5.314 -10.178 3.303) 11.948 4.033 ( 3.363 -5.900 -10.917) 12.857 4.168 ( 2.962 -9.391 -6.616) 11.863 4.289 ( 1.116 -0.595 0.509) 1.363 4.479 ( 7.740 -6.182 -6.218) 11.696 4.573 ( 1.487 0.069 5.550) 5.746 4.739 ( -3.672 -10.264 -6.582) 12.734 4.838 ( 6.169 1.602 1.134) 6.474 5.040 ( 6.219 -1.630 -6.037) 8.819 5.124 ( 1.203 3.361 1.592) 3.908 5.188 ( 3.230 5.561 4.509) 7.855 5.330 ( -2.443 -1.320 12.837) 13.133 5.431 ( -1.190 2.040 -1.035) 2.579 5.611 ( 2.833 2.934 2.849) 4.974 5.678 ( 0.530 -1.295 0.308) 1.433 5.816 ( -3.581 5.107 2.319) 6.655 5.927 ( -1.904 0.687 -3.552) 4.088 6.006 ( 0.714 -0.470 -6.498) 6.554 6.078 ( -1.407 -0.895 0.580) 1.765 6.199 ( -3.720 -2.806 -0.044) 4.660 6.337 ( -3.559 2.551 -3.534) 5.628 6.390 ( -5.920 -0.956 -0.458) 6.014 6.572 ( -2.505 3.888 -2.479) 5.247 6.620 ( 0.329 -1.157 0.823) 1.457 6.694 ( 2.171 -4.769 1.941) 5.588 6.859 ( -1.354 -1.716 -0.467) 2.235 6.959 ( -1.820 -1.116 -1.879) 2.843 7.034 ( 4.579 -0.553 0.228) 4.618 7.098 ( -3.136 -0.756 0.346) 3.245 7.251 ( -0.450 -0.178 -0.313) 0.577 7.301 ( -1.899 0.603 0.599) 2.081 7.415 ( -3.057 0.734 -5.226) 6.099 7.544 ( -4.537 -0.258 -2.366) 5.123 7.667 ( 1.811 0.438 -0.843) 2.044 7.722 ( -3.403 0.906 -3.567) 5.012 7.779 ( 3.627 0.212 3.054) 4.747 7.859 ( 0.964 -1.504 -2.423) 3.011 7.898 ( 2.664 -0.694 -2.823) 3.943 8.008 ( 2.745 0.954 4.068) 4.999 8.196 ( -0.805 -1.536 5.964) 6.211 8.233 ( 2.243 -2.188 4.433) 5.429 8.411 ( 2.701 -2.071 3.434) 4.835 8.557 ( 3.394 -0.137 -2.444) 4.185 8.580 ( 0.775 -2.045 -0.686) 2.292 8.710 ( 1.017 -1.482 4.703) 5.035 8.814 ( -1.355 4.354 -3.272) 5.612 9.071 ( 0.141 -1.068 6.924) 7.007 9.249 ( -5.782 1.538 1.608) 6.196 9.396 ( -1.493 1.811 4.169) 4.784 9.528 ( -3.693 0.006 -0.550) 3.734 9.679 ( -0.881 0.565 -1.964) 2.226 10.016 ( 0.496 -6.073 -6.618) 8.995 10.138 ( -2.133 -3.951 -4.637) 6.454 10.248 ( -0.107 -0.496 -2.705) 2.752 10.306 ( -5.629 -3.381 -6.870) 9.504 10.954 ( 17.463 5.703 5.663) 19.223 11.715 ( -5.798 21.033 4.551) 22.287 16.494 ( 0.596 -0.845 -0.573) 1.182 16.619 ( 0.027 -1.975 -1.217) 2.319 17.135 ( -0.554 2.375 -1.435) 2.829 17.191 ( -0.779 0.678 -0.543) 1.167 17.263 ( 2.590 0.782 -5.397) 6.037 17.497 ( -3.063 -1.498 1.086) 3.578 17.695 ( 1.314 1.098 4.989) 5.274 17.724 ( -0.142 0.560 4.886) 4.920 17.813 ( 3.313 2.977 1.234) 4.622 17.946 ( -0.708 2.351 5.616) 6.129 18.062 ( -1.314 4.037 4.526) 6.205 18.128 ( -2.609 2.669 3.135) 4.874 20.846 ( 0.090 -4.454 2.285) 5.007 21.089 ( -1.829 -5.008 1.983) 5.688 21.624 ( -0.464 1.701 0.172) 1.771 21.719 ( -0.863 0.965 -1.915) 2.312 22.143 ( 2.488 0.554 0.693) 2.641 22.271 ( -0.964 0.530 1.351) 1.742 26.701 ( 0.117 -0.618 0.435) 0.765 26.806 ( -0.573 -1.108 -0.981) 1.588 27.173 ( -0.141 -0.306 -1.947) 1.976 27.250 ( -1.953 1.094 -0.696) 2.344 27.380 ( 1.543 -1.045 -0.925) 2.080 27.467 ( -0.864 -0.887 -0.658) 1.402 34.804 ( 5.838 2.181 1.073) 6.324 34.855 ( 4.216 2.064 0.238) 4.700 36.153 ( 1.139 3.885 3.686) 5.475 36.438 ( -1.028 12.010 -0.935) 12.090 37.083 ( 5.266 -6.288 8.665) 11.931 37.640 ( -8.280 -9.226 8.915) 15.270 37.826 ( 2.849 -4.484 6.444) 8.351 38.150 ( -1.586 -0.523 -9.874) 10.015 38.488 ( -0.748 8.431 -1.378) 8.575 38.729 ( -0.575 2.157 -10.825) 11.052 39.100 ( 2.538 -7.836 -12.070) 14.612 40.038 ( -6.866 4.820 -12.196) 14.803 ======================= Grid point 77 (33/75) ======================= q-point: ( 0.40 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 16.350 -0.101 -4.699) 17.012 2.171 ( 3.821 -1.359 -11.362) 12.064 2.395 ( 10.950 -4.007 -4.720) 12.579 2.668 ( 12.177 -17.921 -17.843) 28.068 2.794 ( -18.848 -2.167 -4.757) 19.559 3.070 ( -8.305 -12.440 -10.253) 18.134 3.426 ( 2.824 -7.439 -7.689) 11.065 3.536 ( -6.750 -7.626 -5.164) 11.419 3.789 ( 2.861 -6.722 3.050) 7.916 3.903 ( 1.543 -2.886 -1.185) 3.481 4.075 ( 1.508 -4.216 -1.863) 4.849 4.248 ( 0.090 -8.053 -7.110) 10.743 4.349 ( 9.245 -10.000 -7.228) 15.418 4.522 ( -2.447 -2.193 1.199) 3.498 4.586 ( -2.006 -6.131 -7.667) 10.020 4.752 ( 6.673 -8.673 -8.079) 13.602 4.963 ( -3.153 2.847 -1.449) 4.489 5.043 ( 0.907 2.262 5.107) 5.659 5.190 ( 5.497 4.161 2.121) 7.213 5.277 ( 1.957 2.936 7.417) 8.213 5.321 ( 3.749 -6.925 5.359) 9.525 5.421 ( -0.672 1.913 -6.573) 6.879 5.594 ( -4.234 1.440 -2.917) 5.340 5.699 ( 2.084 1.241 0.698) 2.524 5.785 ( -1.823 3.101 0.392) 3.618 5.869 ( -4.869 -0.674 -1.810) 5.238 5.950 ( -2.999 0.043 0.076) 3.000 6.010 ( -1.719 -3.230 -1.427) 3.928 6.160 ( 3.723 2.510 -0.277) 4.499 6.272 ( -5.610 3.415 -1.577) 6.755 6.389 ( 2.848 1.491 -3.021) 4.412 6.460 ( -6.142 -3.030 -3.060) 7.501 6.625 ( 0.581 0.575 -5.401) 5.463 6.749 ( 0.500 -6.036 6.665) 9.006 6.882 ( 2.431 -4.547 2.924) 5.927 6.963 ( -2.874 -1.073 2.115) 3.726 7.001 ( 3.143 -2.001 -0.391) 3.746 7.117 ( 3.385 2.314 0.069) 4.101 7.213 ( -4.084 0.082 -1.464) 4.340 7.309 ( -0.273 1.959 -0.839) 2.148 7.337 ( -4.979 3.476 -2.243) 6.473 7.456 ( -1.659 3.245 -4.652) 5.910 7.667 ( -0.572 0.023 0.589) 0.821 7.708 ( 1.648 1.496 -4.175) 4.732 7.809 ( -1.667 -1.286 -2.369) 3.170 7.859 ( 0.402 -2.909 -2.513) 3.865 7.978 ( 3.216 -2.952 5.451) 6.983 8.045 ( 2.687 -2.183 0.388) 3.483 8.121 ( -4.099 -2.403 4.472) 6.525 8.287 ( -0.090 -1.630 7.951) 8.117 8.515 ( 7.667 1.484 5.084) 9.319 8.590 ( 0.127 0.136 -4.889) 4.893 8.631 ( 1.776 2.696 2.109) 3.856 8.728 ( -0.891 0.425 0.338) 1.043 8.808 ( 4.416 1.161 -2.710) 5.310 8.977 ( -10.205 0.004 1.032) 10.257 9.190 ( 0.936 2.864 7.223) 7.826 9.341 ( -2.450 -3.141 -0.300) 3.995 9.526 ( 0.962 -1.560 0.030) 1.833 9.653 ( -1.220 3.292 -0.497) 3.546 10.030 ( 1.484 -6.619 -6.088) 9.115 10.086 ( -3.455 -5.407 -6.378) 9.047 10.227 ( -0.057 -1.647 -7.336) 7.519 10.257 ( -1.296 -3.010 -4.422) 5.504 11.280 ( 15.460 11.234 7.797) 20.640 11.557 ( -10.562 17.152 7.990) 21.670 16.504 ( 0.373 -1.175 -0.475) 1.321 16.619 ( -0.018 -1.330 -1.368) 1.908 17.128 ( -0.159 1.633 -0.505) 1.717 17.177 ( -0.502 0.365 -1.222) 1.370 17.317 ( 2.457 -0.004 -4.126) 4.803 17.437 ( -2.693 -0.676 -1.825) 3.323 17.698 ( -0.111 1.306 5.378) 5.535 17.743 ( 0.908 -0.077 6.834) 6.895 17.878 ( 2.998 3.558 2.407) 5.238 17.928 ( -1.059 3.397 3.875) 5.261 18.038 ( -1.008 3.502 2.942) 4.684 18.078 ( -1.936 1.984 3.711) 4.632 20.848 ( 0.068 -4.591 2.548) 5.251 21.059 ( -1.014 -5.558 -0.094) 5.650 21.616 ( -0.255 1.769 0.057) 1.788 21.708 ( -0.321 0.645 -1.867) 2.002 22.191 ( 2.104 0.877 1.322) 2.635 22.247 ( -1.401 0.792 1.319) 2.081 26.703 ( 0.092 -0.591 0.765) 0.971 26.797 ( -0.318 -1.274 -0.977) 1.636 27.180 ( 1.027 0.204 -1.670) 1.971 27.211 ( -2.018 0.675 -1.141) 2.414 27.409 ( 1.322 -0.998 -0.741) 1.814 27.447 ( -1.103 -0.879 -0.791) 1.617 34.888 ( 2.635 3.298 1.401) 4.448 34.937 ( 2.760 3.477 0.970) 4.543 36.176 ( 0.955 6.723 4.993) 8.428 36.420 ( -0.654 12.124 0.045) 12.141 37.227 ( 9.273 -9.520 11.741) 17.734 37.453 ( -10.582 -7.592 7.745) 15.153 37.869 ( 1.442 -3.746 7.653) 8.642 38.118 ( -1.312 -1.392 -11.111) 11.274 38.478 ( -0.210 9.306 -1.169) 9.382 38.719 ( -0.361 2.091 -12.131) 12.315 39.145 ( 1.659 -7.475 -10.499) 12.994 39.919 ( -4.113 -0.830 -15.741) 16.291 ======================= Grid point 80 (34/75) ======================= q-point: ( 0.00 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 -14.546 -8.490) 16.843 1.329 ( 0.000 -32.424 -16.466) 36.365 1.482 ( 0.000 -17.760 -9.461) 20.122 2.223 ( 0.000 -28.636 -25.130) 38.099 2.572 ( 0.000 -15.245 -23.770) 28.239 3.142 ( 0.000 -7.367 -4.100) 8.431 3.210 ( 0.000 0.844 -4.395) 4.475 3.534 ( 0.000 -4.276 -0.130) 4.278 3.547 ( 0.000 -0.531 0.148) 0.552 3.741 ( 0.000 -11.366 -5.978) 12.842 3.867 ( 0.000 -12.338 -5.156) 13.372 4.140 ( 0.000 -5.003 -3.096) 5.884 4.159 ( 0.000 -13.686 1.587) 13.778 4.314 ( 0.000 3.722 1.909) 4.183 4.574 ( 0.000 -8.478 2.260) 8.774 4.603 ( 0.000 -7.672 -3.863) 8.590 4.834 ( 0.000 4.185 -2.031) 4.651 4.929 ( 0.000 5.863 3.827) 7.002 5.193 ( 0.000 7.777 2.062) 8.045 5.351 ( 0.000 12.796 3.818) 13.354 5.457 ( 0.000 1.092 3.356) 3.529 5.584 ( 0.000 -1.881 10.021) 10.196 5.609 ( 0.000 0.894 -1.575) 1.811 5.745 ( 0.000 0.023 0.138) 0.140 5.853 ( 0.000 5.437 -7.316) 9.114 5.895 ( 0.000 -3.282 3.725) 4.965 5.978 ( 0.000 3.698 2.507) 4.467 6.125 ( 0.000 2.178 -1.452) 2.617 6.253 ( 0.000 -0.652 -6.239) 6.273 6.262 ( 0.000 3.519 5.389) 6.436 6.450 ( 0.000 -9.763 4.492) 10.747 6.551 ( 0.000 1.844 1.169) 2.184 6.659 ( 0.000 -4.420 -0.829) 4.497 6.719 ( 0.000 -3.837 -0.802) 3.920 6.846 ( 0.000 -0.828 2.458) 2.593 6.958 ( 0.000 3.844 -3.091) 4.932 6.962 ( 0.000 0.556 -3.164) 3.212 7.139 ( 0.000 -4.313 4.034) 5.905 7.230 ( 0.000 -6.222 -3.050) 6.930 7.259 ( 0.000 3.882 -0.099) 3.883 7.391 ( 0.000 -1.442 0.657) 1.585 7.441 ( 0.000 -2.338 -7.614) 7.964 7.669 ( 0.000 1.174 1.064) 1.585 7.676 ( 0.000 0.198 -7.468) 7.471 7.781 ( 0.000 6.967 -4.225) 8.148 7.806 ( 0.000 -0.775 -0.123) 0.785 7.917 ( 0.000 2.768 -2.188) 3.528 7.933 ( 0.000 -5.758 1.621) 5.981 8.211 ( 0.000 0.354 -0.162) 0.389 8.337 ( 0.000 3.468 5.220) 6.267 8.382 ( 0.000 -6.125 5.736) 8.392 8.545 ( 0.000 -2.325 4.041) 4.662 8.678 ( 0.000 -4.850 17.437) 18.099 8.786 ( 0.000 -6.684 9.700) 11.780 8.854 ( 0.000 -0.559 3.573) 3.617 9.176 ( 0.000 0.359 5.867) 5.878 9.272 ( 0.000 -4.245 -3.981) 5.819 9.507 ( 0.000 2.418 -4.391) 5.012 9.577 ( 0.000 -2.342 -7.054) 7.432 9.651 ( 0.000 4.072 6.685) 7.828 9.849 ( 0.000 -0.868 -4.838) 4.916 10.046 ( 0.000 -2.985 -4.886) 5.725 10.243 ( 0.000 2.058 -0.098) 2.060 10.348 ( 0.000 0.107 -2.066) 2.069 10.767 ( 0.000 0.096 0.738) 0.745 11.890 ( 0.000 25.074 -18.058) 30.899 16.468 ( 0.000 -0.606 -0.833) 1.030 16.574 ( 0.000 -2.929 -0.767) 3.028 17.131 ( 0.000 2.226 -2.347) 3.234 17.166 ( 0.000 1.631 -3.206) 3.596 17.222 ( 0.000 2.093 0.596) 2.176 17.530 ( 0.000 -2.905 0.121) 2.908 17.715 ( 0.000 2.341 -0.089) 2.342 17.815 ( 0.000 -0.097 4.201) 4.202 17.851 ( 0.000 2.279 3.431) 4.119 18.092 ( 0.000 3.641 6.180) 7.173 18.189 ( 0.000 4.060 3.164) 5.147 18.229 ( 0.000 3.058 1.096) 3.249 20.833 ( 0.000 -4.526 1.446) 4.751 21.150 ( 0.000 -5.806 7.785) 9.712 21.648 ( 0.000 1.469 0.001) 1.469 21.709 ( 0.000 2.014 -2.961) 3.581 22.116 ( 0.000 0.039 0.024) 0.046 22.309 ( 0.000 0.732 1.133) 1.349 26.696 ( 0.000 -0.739 0.039) 0.740 26.788 ( 0.000 -0.842 -0.716) 1.105 27.143 ( 0.000 -0.723 -1.187) 1.390 27.280 ( 0.000 1.468 -0.352) 1.510 27.333 ( 0.000 -1.180 -0.737) 1.391 27.457 ( 0.000 -0.762 -0.545) 0.936 34.721 ( 0.000 -0.169 -0.446) 0.477 34.832 ( 0.000 1.325 0.142) 1.333 36.203 ( 0.000 0.875 2.034) 2.214 36.560 ( 0.000 15.058 -1.325) 15.116 37.146 ( 0.000 -5.205 11.845) 12.939 37.794 ( 0.000 0.866 -2.212) 2.376 37.856 ( 0.000 -9.375 14.519) 17.283 38.029 ( 0.000 0.270 -5.485) 5.491 38.486 ( 0.000 4.466 -9.286) 10.304 38.541 ( 0.000 -2.238 -12.808) 13.002 38.837 ( 0.000 -7.084 -2.746) 7.597 39.961 ( 0.000 10.263 -19.746) 22.253 ======================= Grid point 81 (35/75) ======================= q-point: ( 0.20 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 16.732 -21.973 -12.777) 30.430 1.536 ( 24.691 -16.891 -13.588) 32.857 1.901 ( 31.859 0.052 -1.078) 31.877 2.329 ( 2.597 -5.551 -6.456) 8.901 2.655 ( 16.275 -33.179 -30.690) 48.038 2.881 ( -16.909 -8.724 -8.695) 20.920 3.280 ( -14.989 -4.184 -2.288) 15.729 3.342 ( 1.946 -4.069 -6.298) 7.747 3.528 ( -2.744 -3.063 -2.333) 4.728 3.831 ( 8.461 -4.367 -1.852) 9.699 3.904 ( -1.132 -12.904 0.849) 12.981 4.123 ( 0.558 -5.017 1.957) 5.414 4.252 ( 1.907 -6.814 -4.658) 8.471 4.361 ( 5.338 -0.586 -0.537) 5.397 4.515 ( -6.657 -8.515 -4.510) 11.711 4.638 ( 5.069 -6.798 2.235) 8.770 4.855 ( 4.817 2.151 -0.057) 5.276 4.981 ( 3.153 2.009 0.661) 3.797 5.206 ( 1.334 7.274 2.178) 7.710 5.328 ( -3.886 6.713 2.826) 8.255 5.409 ( -2.937 5.117 0.283) 5.907 5.583 ( 1.616 2.185 4.238) 5.035 5.636 ( 0.248 -0.633 4.350) 4.403 5.740 ( 0.371 2.248 1.286) 2.617 5.838 ( -1.965 0.836 -1.442) 2.577 5.907 ( 0.716 -0.272 -0.629) 0.991 5.951 ( -1.367 3.181 2.508) 4.275 6.111 ( -3.520 2.292 -0.238) 4.208 6.192 ( -2.606 -0.785 -3.307) 4.283 6.311 ( 0.754 1.237 3.861) 4.123 6.357 ( -5.253 -6.237 -0.710) 8.185 6.542 ( -5.278 0.466 -0.884) 5.372 6.646 ( -3.428 1.539 1.932) 4.225 6.694 ( -0.568 -5.447 -2.151) 5.884 6.796 ( 2.411 -0.891 1.508) 2.980 6.923 ( 3.246 -0.434 -1.349) 3.542 7.066 ( -0.656 0.325 1.303) 1.495 7.134 ( -3.029 -5.613 1.417) 6.533 7.180 ( 1.467 1.421 0.100) 2.045 7.296 ( 1.743 2.050 0.254) 2.702 7.399 ( 0.636 0.618 -2.040) 2.224 7.475 ( 2.831 -1.729 -4.765) 5.806 7.614 ( -6.734 -2.687 -5.001) 8.808 7.667 ( -1.779 -1.696 0.331) 2.480 7.747 ( -0.131 2.118 -4.440) 4.920 7.797 ( 1.548 -0.343 -3.182) 3.556 7.898 ( -0.134 1.101 0.502) 1.218 8.053 ( 4.432 4.357 -2.866) 6.844 8.200 ( 0.293 -4.806 -2.454) 5.404 8.350 ( 1.208 2.374 7.850) 8.289 8.455 ( 5.587 -0.582 6.270) 8.418 8.541 ( 0.969 -1.979 2.096) 3.041 8.662 ( -1.098 -5.050 16.027) 16.840 8.804 ( 0.844 -3.549 5.914) 6.948 8.850 ( -0.069 -2.389 7.629) 7.994 9.162 ( -4.132 0.252 0.702) 4.199 9.239 ( -1.557 -2.089 -1.017) 2.797 9.400 ( -6.526 -2.702 -4.080) 8.157 9.571 ( -0.924 2.610 1.694) 3.246 9.688 ( 1.852 2.448 1.004) 3.230 9.858 ( 0.377 -1.568 -5.238) 5.481 9.994 ( -4.184 -3.138 -6.817) 8.592 10.164 ( -8.110 0.314 -4.918) 9.490 10.209 ( -5.726 -3.628 -4.070) 7.906 11.066 ( 22.549 4.324 1.863) 23.036 11.897 ( -1.351 22.927 -8.447) 24.471 16.477 ( 0.787 -0.843 -0.370) 1.211 16.573 ( -0.159 -2.605 -1.337) 2.932 17.123 ( -0.128 1.286 -1.504) 1.983 17.201 ( 2.142 1.449 -2.481) 3.584 17.207 ( -0.743 1.997 -0.341) 2.157 17.470 ( -4.984 -1.828 -1.498) 5.516 17.772 ( 4.452 1.736 1.727) 5.081 17.813 ( 0.378 -0.154 4.570) 4.589 17.866 ( 1.387 2.176 2.177) 3.377 18.084 ( -1.081 3.864 5.896) 7.131 18.169 ( -2.197 4.254 2.507) 5.404 18.196 ( -2.313 2.375 1.888) 3.815 20.837 ( 0.339 -4.785 1.741) 5.103 21.067 ( -6.383 -7.935 2.617) 10.514 21.643 ( -0.385 1.597 0.064) 1.644 21.691 ( -0.968 0.905 -2.414) 2.754 22.170 ( 3.954 1.742 1.329) 4.520 22.300 ( -0.869 0.850 1.086) 1.630 26.702 ( 0.569 -0.775 0.380) 1.034 26.779 ( -0.780 -1.034 -0.799) 1.522 27.141 ( 0.167 -0.404 -1.274) 1.347 27.250 ( -2.392 1.025 -0.526) 2.655 27.357 ( 1.771 -0.865 -0.567) 2.051 27.448 ( -0.927 -0.779 -0.554) 1.332 34.861 ( 5.438 2.898 1.365) 6.311 34.891 ( 9.360 4.802 1.887) 10.688 36.274 ( 6.545 6.620 5.187) 10.657 36.562 ( 0.159 15.499 -0.953) 15.529 37.201 ( 5.909 -5.637 12.888) 15.257 37.748 ( -5.849 -4.367 10.779) 13.018 37.854 ( 1.262 -3.015 -0.086) 3.270 38.026 ( -0.884 -1.972 -1.159) 2.452 38.471 ( -0.599 4.541 -11.162) 12.066 38.544 ( -0.342 0.542 -11.727) 11.745 38.859 ( 2.204 -9.320 -3.022) 10.043 39.766 ( -16.149 -0.853 -22.981) 28.101 ======================= Grid point 82 (36/75) ======================= q-point: ( 0.40 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 18.552 -14.100 -8.811) 24.913 1.967 ( 15.155 -9.247 -15.073) 23.289 2.201 ( -8.370 -12.479 -9.427) 17.739 2.328 ( 1.925 -2.643 -7.971) 8.616 2.640 ( 1.030 -2.499 -4.989) 5.674 2.915 ( -10.457 -2.227 0.193) 10.693 3.168 ( 13.708 -18.869 -8.696) 24.891 3.384 ( -6.608 -6.763 -4.039) 10.281 3.558 ( 18.956 -11.804 -11.795) 25.255 3.848 ( -1.664 -4.255 2.401) 5.161 4.024 ( 4.912 -3.756 -1.307) 6.320 4.084 ( -4.148 -7.174 -0.321) 8.294 4.174 ( -8.811 -10.760 -3.603) 14.366 4.360 ( -4.618 -12.251 -8.858) 15.808 4.496 ( 6.987 1.622 -1.708) 7.373 4.649 ( -6.037 -0.203 2.028) 6.371 4.972 ( -2.334 2.650 -1.201) 3.730 5.014 ( 4.920 -5.672 -2.098) 7.796 5.259 ( 6.896 2.148 2.306) 7.582 5.312 ( 4.485 5.005 2.343) 7.118 5.381 ( -1.314 4.178 1.128) 4.523 5.554 ( -7.514 -0.130 -1.451) 7.654 5.633 ( 1.780 6.993 8.592) 11.221 5.749 ( 0.937 1.739 3.853) 4.330 5.810 ( -2.547 -2.175 1.396) 3.629 5.901 ( -1.000 4.251 1.243) 4.541 5.946 ( 0.650 2.692 -1.969) 3.398 6.026 ( -2.536 2.078 3.225) 4.599 6.143 ( -1.519 -0.718 -4.092) 4.423 6.253 ( -2.546 3.240 -4.459) 6.072 6.378 ( -2.463 -1.272 1.415) 3.113 6.407 ( -0.537 -0.343 2.012) 2.110 6.560 ( -3.431 -1.492 -0.896) 3.848 6.727 ( 1.334 -11.955 -6.822) 13.829 6.873 ( 2.780 -0.752 8.783) 9.243 6.989 ( -0.439 -0.549 2.174) 2.285 7.035 ( 3.028 1.442 1.555) 3.697 7.143 ( 3.517 -0.875 -0.484) 3.657 7.197 ( -0.626 3.280 2.093) 3.941 7.290 ( -0.881 2.001 -0.771) 2.319 7.363 ( -6.386 2.946 -3.881) 8.033 7.433 ( -3.210 -2.381 1.132) 4.154 7.608 ( 5.922 0.067 -7.116) 9.258 7.672 ( 0.623 -1.980 0.188) 2.084 7.746 ( -1.508 1.388 -2.894) 3.546 7.799 ( -2.488 1.859 -3.668) 4.807 7.900 ( 2.281 -1.868 -2.552) 3.899 8.053 ( -2.194 -2.054 -2.437) 3.870 8.237 ( 1.877 -2.530 4.345) 5.367 8.357 ( -0.285 -0.809 2.049) 2.221 8.544 ( 1.140 1.613 5.335) 5.689 8.598 ( 4.710 0.261 0.850) 4.793 8.677 ( 3.444 -3.741 9.163) 10.479 8.775 ( -3.650 0.684 4.167) 5.582 8.865 ( 1.156 -3.405 5.617) 6.669 9.023 ( -6.504 0.308 4.001) 7.642 9.258 ( 2.226 -3.246 1.515) 4.217 9.315 ( -3.231 -3.904 -1.173) 5.202 9.549 ( -0.997 3.285 1.132) 3.615 9.704 ( -0.026 3.320 -0.748) 3.403 9.862 ( 1.072 -3.226 -6.722) 7.533 9.922 ( -3.540 -4.212 -5.494) 7.775 10.078 ( -0.148 -1.389 -7.625) 7.752 10.122 ( -3.817 -3.790 -7.290) 9.060 11.474 ( 18.865 9.990 2.992) 21.556 11.786 ( -10.387 16.362 -0.043) 19.380 16.490 ( 0.467 -1.420 0.376) 1.541 16.568 ( -0.265 -2.294 -2.425) 3.349 17.133 ( 1.038 0.939 -0.298) 1.431 17.171 ( -1.764 0.716 -0.190) 1.913 17.265 ( 3.292 1.014 -2.336) 4.162 17.376 ( -4.275 -0.673 -3.493) 5.561 17.812 ( 0.486 1.291 5.301) 5.478 17.842 ( 0.932 0.126 4.264) 4.367 17.927 ( 5.424 2.785 0.151) 6.099 18.031 ( -4.714 3.679 2.721) 6.570 18.131 ( -1.005 3.906 3.910) 5.617 18.169 ( -0.678 3.109 3.318) 4.597 20.845 ( 0.377 -5.440 2.677) 6.075 20.975 ( -2.667 -7.799 -1.927) 8.465 21.638 ( -0.120 1.709 0.417) 1.763 21.681 ( -0.213 0.583 -1.813) 1.916 22.231 ( 2.283 1.851 1.735) 3.413 22.278 ( -1.316 1.245 1.006) 2.072 26.714 ( 0.530 -0.518 1.065) 1.298 26.765 ( -0.505 -1.318 -1.035) 1.750 27.159 ( 1.716 0.334 -1.035) 2.032 27.201 ( -2.584 0.776 -0.728) 2.795 27.390 ( 1.603 -0.813 -0.414) 1.845 27.424 ( -1.374 -0.834 -0.678) 1.745 34.947 ( 4.086 3.294 1.216) 5.387 35.003 ( 1.079 5.382 1.734) 5.757 36.385 ( 3.624 13.529 8.039) 16.149 36.565 ( 0.077 16.569 -0.318) 16.572 37.363 ( 10.223 -4.689 13.167) 17.316 37.590 ( -9.892 -6.783 17.522) 21.234 37.898 ( 2.653 -0.395 -7.035) 7.529 37.988 ( -2.526 -4.251 4.507) 6.691 38.482 ( 1.605 5.492 -11.524) 12.866 38.521 ( -1.886 3.115 -12.060) 12.597 38.905 ( 1.901 -12.753 -2.865) 13.208 39.511 ( -8.137 -10.256 -25.667) 28.813 ======================= Grid point 85 (37/75) ======================= q-point: ( 0.00 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.000 -35.158 0.000) 35.158 0.807 ( 0.000 -40.592 0.000) 40.592 1.290 ( 0.000 -64.544 0.000) 64.544 1.344 ( 0.000 -4.719 0.000) 4.719 2.458 ( 0.000 4.701 -0.000) 4.701 3.032 ( 0.000 -6.901 0.000) 6.901 3.147 ( 0.000 -4.353 0.000) 4.353 3.503 ( 0.000 -2.972 0.000) 2.972 3.567 ( 0.000 -0.143 0.000) 0.143 3.590 ( 0.000 -8.499 0.000) 8.499 3.669 ( 0.000 -7.710 0.000) 7.710 4.045 ( 0.000 -10.946 0.000) 10.946 4.100 ( 0.000 -0.819 0.000) 0.819 4.367 ( 0.000 2.783 -0.000) 2.783 4.511 ( 0.000 -6.040 0.000) 6.040 4.516 ( 0.000 -7.422 0.000) 7.422 4.848 ( 0.000 3.142 -0.000) 3.142 5.031 ( 0.000 4.437 -0.000) 4.437 5.308 ( 0.000 10.345 -0.000) 10.345 5.502 ( 0.000 4.233 -0.000) 4.233 5.503 ( 0.000 -1.045 0.000) 1.045 5.628 ( 0.000 14.649 -0.000) 14.649 5.691 ( 0.000 -0.021 0.000) 0.021 5.708 ( 0.000 -2.423 0.000) 2.423 5.819 ( 0.000 5.155 -0.000) 5.155 5.946 ( 0.000 -4.055 0.000) 4.055 6.010 ( 0.000 1.159 -0.000) 1.159 6.037 ( 0.000 -2.992 0.000) 2.992 6.266 ( 0.000 3.329 -0.000) 3.329 6.354 ( 0.000 -1.317 0.000) 1.317 6.426 ( 0.000 -10.101 0.000) 10.101 6.573 ( 0.000 1.119 -0.000) 1.119 6.612 ( 0.000 3.340 -0.000) 3.340 6.693 ( 0.000 -0.066 0.000) 0.066 6.867 ( 0.000 -1.049 0.000) 1.049 6.927 ( 0.000 0.207 -0.000) 0.207 6.988 ( 0.000 3.296 -0.000) 3.296 7.068 ( 0.000 -7.415 0.000) 7.415 7.253 ( 0.000 -6.364 0.000) 6.364 7.291 ( 0.000 -4.460 0.000) 4.460 7.300 ( 0.000 3.469 -0.000) 3.469 7.385 ( 0.000 -1.051 0.000) 1.051 7.555 ( 0.000 -2.042 0.000) 2.042 7.668 ( 0.000 0.593 -0.000) 0.593 7.790 ( 0.000 6.301 -0.000) 6.301 7.800 ( 0.000 -2.680 0.000) 2.680 7.933 ( 0.000 3.930 -0.000) 3.930 7.952 ( 0.000 3.927 -0.000) 3.927 8.228 ( 0.000 2.174 -0.000) 2.174 8.397 ( 0.000 3.181 -0.000) 3.181 8.440 ( 0.000 -4.806 0.000) 4.806 8.600 ( 0.000 1.401 -0.000) 1.401 8.851 ( 0.000 -11.411 0.000) 11.411 8.889 ( 0.000 1.376 -0.000) 1.376 8.944 ( 0.000 -0.413 0.000) 0.413 9.134 ( 0.000 -1.718 0.000) 1.718 9.260 ( 0.000 1.695 -0.000) 1.695 9.435 ( 0.000 1.152 -0.000) 1.152 9.451 ( 0.000 -5.813 0.000) 5.813 9.808 ( 0.000 3.956 -0.000) 3.956 9.831 ( 0.000 2.362 -0.000) 2.362 9.965 ( 0.000 -1.787 0.000) 1.787 10.262 ( 0.000 1.657 -0.000) 1.657 10.333 ( 0.000 0.226 -0.000) 0.226 10.770 ( 0.000 -0.353 0.000) 0.353 11.682 ( 0.000 6.750 -0.000) 6.750 16.453 ( 0.000 -0.330 0.000) 0.330 16.541 ( 0.000 -2.559 0.000) 2.559 17.118 ( 0.000 0.912 -0.000) 0.912 17.156 ( 0.000 1.690 -0.000) 1.690 17.249 ( 0.000 1.980 -0.000) 1.980 17.501 ( 0.000 -2.514 0.000) 2.514 17.737 ( 0.000 2.635 -0.000) 2.635 17.851 ( 0.000 -0.959 0.000) 0.959 17.903 ( 0.000 1.759 -0.000) 1.759 18.198 ( 0.000 3.795 -0.000) 3.795 18.247 ( 0.000 1.445 -0.000) 1.445 18.253 ( 0.000 3.030 -0.000) 3.030 20.807 ( 0.000 -3.497 0.000) 3.497 21.249 ( 0.000 -0.530 0.000) 0.530 21.656 ( 0.000 1.078 -0.000) 1.078 21.673 ( 0.000 0.327 -0.000) 0.327 22.117 ( 0.000 0.030 -0.000) 0.030 22.329 ( 0.000 0.869 -0.000) 0.869 26.686 ( 0.000 -0.975 0.000) 0.975 26.776 ( 0.000 -0.326 0.000) 0.326 27.125 ( 0.000 -0.716 0.000) 0.716 27.290 ( 0.000 1.183 -0.000) 1.183 27.316 ( 0.000 -0.877 0.000) 0.877 27.445 ( 0.000 -0.532 0.000) 0.532 34.715 ( 0.000 -0.190 0.000) 0.190 34.844 ( 0.000 0.857 -0.000) 0.857 36.225 ( 0.000 0.103 -0.000) 0.103 36.685 ( 0.000 13.282 -0.000) 13.282 37.337 ( 0.000 1.641 -0.000) 1.641 37.688 ( 0.000 0.070 -0.000) 0.070 37.989 ( 0.000 -0.860 0.000) 0.860 37.998 ( 0.000 -2.295 0.000) 2.295 38.317 ( 0.000 -7.158 0.000) 7.158 38.329 ( 0.000 -4.285 0.000) 4.285 38.810 ( 0.000 -3.611 0.000) 3.611 39.717 ( 0.000 0.286 -0.000) 0.286 ======================= Grid point 86 (38/75) ======================= q-point: ( 0.20 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 24.464 -27.689 0.000) 36.948 1.102 ( 24.355 -28.765 0.000) 37.691 1.844 ( 50.557 -39.936 0.000) 64.427 2.096 ( 37.491 26.216 -0.000) 45.748 2.371 ( -9.386 1.958 -0.000) 9.588 2.713 ( -21.086 -7.895 0.000) 22.515 3.179 ( -17.033 -8.723 0.000) 19.136 3.259 ( 1.160 -3.951 0.000) 4.118 3.532 ( -2.929 6.016 -0.000) 6.692 3.746 ( 10.730 -9.235 0.000) 14.157 3.813 ( 3.348 -4.831 0.000) 5.877 4.087 ( 2.784 -9.326 0.000) 9.733 4.121 ( -0.276 -4.073 0.000) 4.082 4.373 ( -3.160 0.662 -0.000) 3.228 4.432 ( -2.226 -2.429 0.000) 3.295 4.565 ( 7.315 -9.529 0.000) 12.013 4.879 ( 1.320 2.603 -0.000) 2.918 5.027 ( -0.262 2.236 -0.000) 2.252 5.316 ( 1.512 8.081 -0.000) 8.222 5.387 ( -7.869 3.207 -0.000) 8.498 5.502 ( -3.481 9.476 -0.000) 10.095 5.592 ( -0.083 -0.146 0.000) 0.167 5.721 ( 4.156 0.399 -0.000) 4.175 5.753 ( 1.195 1.620 -0.000) 2.013 5.830 ( 0.431 2.080 -0.000) 2.125 5.906 ( -1.734 -0.506 0.000) 1.807 6.007 ( -0.161 1.825 -0.000) 1.832 6.074 ( 1.149 -2.755 0.000) 2.985 6.161 ( -7.525 0.313 -0.000) 7.532 6.252 ( -4.416 -10.382 0.000) 11.282 6.453 ( 2.343 0.468 -0.000) 2.389 6.498 ( -4.898 -4.644 0.000) 6.750 6.581 ( -8.968 1.236 -0.000) 9.052 6.734 ( -5.503 5.953 -0.000) 8.107 6.883 ( 8.238 4.207 -0.000) 9.250 6.923 ( 4.678 2.888 -0.000) 5.497 7.025 ( 2.330 -1.869 0.000) 2.987 7.122 ( -1.602 -5.630 0.000) 5.853 7.220 ( 3.380 -3.469 0.000) 4.844 7.274 ( -1.166 -5.965 0.000) 6.078 7.337 ( -0.619 2.265 -0.000) 2.348 7.423 ( 5.043 1.747 -0.000) 5.338 7.518 ( -4.041 -4.315 0.000) 5.912 7.674 ( -0.401 -1.435 0.000) 1.490 7.713 ( -3.909 -0.754 0.000) 3.981 7.782 ( 1.365 4.421 -0.000) 4.627 7.943 ( -3.379 5.427 -0.000) 6.393 8.031 ( 9.668 -0.626 0.000) 9.688 8.156 ( -5.300 -0.656 0.000) 5.340 8.434 ( 5.233 1.644 -0.000) 5.486 8.521 ( -0.812 1.383 -0.000) 1.604 8.587 ( 1.334 0.405 -0.000) 1.394 8.813 ( -4.088 -9.601 0.000) 10.435 8.905 ( 0.722 0.487 -0.000) 0.871 8.956 ( 0.858 -1.050 0.000) 1.356 9.048 ( -5.961 0.094 -0.000) 5.962 9.260 ( -0.390 0.646 -0.000) 0.754 9.321 ( -4.883 -3.833 0.000) 6.208 9.550 ( 3.207 -0.846 0.000) 3.316 9.753 ( -9.187 -5.144 0.000) 10.529 9.791 ( -2.230 1.245 -0.000) 2.554 9.891 ( -1.453 0.643 -0.000) 1.588 10.061 ( -6.631 -8.836 0.000) 11.047 10.129 ( -10.922 -0.201 0.000) 10.924 11.113 ( 25.522 2.661 -0.000) 25.660 11.975 ( 8.755 22.421 -0.000) 24.070 16.467 ( 0.976 -0.711 0.000) 1.208 16.532 ( -0.910 -2.602 0.000) 2.756 17.118 ( 0.371 0.691 -0.000) 0.785 17.190 ( 2.894 1.764 -0.000) 3.389 17.223 ( -2.182 0.885 -0.000) 2.355 17.436 ( -5.358 -1.575 0.000) 5.585 17.798 ( 5.889 1.220 -0.000) 6.014 17.853 ( 0.589 -0.425 0.000) 0.727 17.907 ( 0.139 1.441 -0.000) 1.448 18.180 ( -3.281 2.972 -0.000) 4.427 18.211 ( -1.070 2.099 -0.000) 2.356 18.249 ( -0.534 3.738 -0.000) 3.776 20.810 ( 0.410 -3.826 0.000) 3.848 20.999 ( -12.183 -12.605 0.000) 17.530 21.656 ( 0.113 0.999 -0.000) 1.005 21.669 ( -0.190 0.459 -0.000) 0.497 22.218 ( 4.572 4.167 -0.000) 6.186 22.319 ( -0.842 0.791 -0.000) 1.155 26.696 ( 1.008 -0.920 0.000) 1.365 26.764 ( -0.904 -0.588 0.000) 1.078 27.126 ( 0.699 -0.137 0.000) 0.712 27.253 ( -2.540 0.698 -0.000) 2.634 27.345 ( 1.806 -0.580 0.000) 1.897 27.436 ( -0.950 -0.536 0.000) 1.091 34.884 ( 4.127 1.188 -0.000) 4.295 35.032 ( 11.955 14.482 -0.000) 18.779 36.473 ( 16.814 20.615 -0.000) 26.603 36.692 ( 0.597 13.920 -0.000) 13.933 37.428 ( 8.806 6.322 -0.000) 10.840 37.707 ( 1.673 0.972 -0.000) 1.935 37.935 ( -2.750 -0.596 0.000) 2.814 38.032 ( 0.398 -3.617 0.000) 3.639 38.278 ( -1.667 -4.390 0.000) 4.696 38.349 ( 0.088 -5.880 0.000) 5.881 38.817 ( 0.898 -5.733 0.000) 5.803 39.324 ( -25.466 -24.371 0.000) 35.249 ======================= Grid point 87 (39/75) ======================= q-point: ( 0.40 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 27.268 -15.884 0.000) 31.557 1.595 ( 28.198 -17.158 0.000) 33.008 2.043 ( -21.460 -5.433 0.000) 22.137 2.145 ( -25.920 -9.644 0.000) 27.657 2.695 ( 16.024 10.113 -0.000) 18.948 2.819 ( 37.228 -19.651 0.000) 42.096 2.933 ( -6.233 -4.536 0.000) 7.709 3.306 ( -10.774 -0.749 0.000) 10.800 3.399 ( 10.238 -4.755 0.000) 11.289 3.823 ( -10.199 -5.087 0.000) 11.397 3.967 ( -4.936 -7.283 0.000) 8.799 3.985 ( 5.666 -5.598 0.000) 7.965 4.063 ( -1.527 -7.169 0.000) 7.330 4.207 ( -9.914 -3.190 0.000) 10.414 4.520 ( 8.260 3.313 -0.000) 8.900 4.687 ( -5.126 0.783 -0.000) 5.185 4.886 ( 6.404 -6.669 0.000) 9.246 5.006 ( -3.472 -2.390 0.000) 4.215 5.339 ( 3.878 6.410 -0.000) 7.492 5.387 ( 6.348 5.011 -0.000) 8.087 5.429 ( -4.401 6.603 -0.000) 7.935 5.534 ( -6.424 0.766 -0.000) 6.470 5.765 ( 0.929 -0.731 0.000) 1.182 5.791 ( -0.640 -2.116 0.000) 2.211 5.839 ( 3.003 2.254 -0.000) 3.755 5.890 ( -1.541 4.515 -0.000) 4.771 5.983 ( -0.810 2.467 -0.000) 2.597 6.027 ( -4.649 0.639 -0.000) 4.693 6.130 ( 5.327 0.882 -0.000) 5.400 6.234 ( -1.600 1.521 -0.000) 2.208 6.383 ( -4.319 -8.501 0.000) 9.535 6.414 ( -5.146 -6.398 0.000) 8.211 6.526 ( 3.330 2.058 -0.000) 3.915 6.612 ( -5.650 3.199 -0.000) 6.492 6.984 ( 2.207 -1.559 0.000) 2.702 7.034 ( 3.026 -2.498 0.000) 3.924 7.044 ( -0.168 -0.303 0.000) 0.347 7.108 ( 2.317 2.124 -0.000) 3.143 7.255 ( 0.766 -0.138 0.000) 0.779 7.285 ( 0.797 0.540 -0.000) 0.963 7.326 ( 0.697 0.950 -0.000) 1.178 7.402 ( -6.320 0.543 -0.000) 6.343 7.540 ( 5.998 -1.652 0.000) 6.222 7.634 ( -2.954 -5.467 0.000) 6.214 7.757 ( 3.931 3.395 -0.000) 5.194 7.815 ( -0.420 4.447 -0.000) 4.466 7.868 ( 0.933 3.253 -0.000) 3.384 8.012 ( -9.117 0.868 -0.000) 9.158 8.214 ( 9.317 -3.860 0.000) 10.085 8.395 ( -9.356 -2.480 0.000) 9.679 8.581 ( 6.423 1.001 -0.000) 6.501 8.631 ( 1.153 -0.105 0.000) 1.158 8.746 ( 0.982 -4.315 0.000) 4.426 8.856 ( -5.985 0.485 -0.000) 6.005 8.980 ( 1.886 -1.447 0.000) 2.377 9.004 ( -0.406 -0.718 0.000) 0.825 9.241 ( -1.122 -1.501 0.000) 1.874 9.250 ( -2.397 -3.367 0.000) 4.133 9.579 ( 0.877 -0.637 0.000) 1.084 9.619 ( -3.975 -3.695 0.000) 5.427 9.792 ( 1.704 -0.734 0.000) 1.855 9.849 ( -3.839 -2.477 0.000) 4.569 9.988 ( -0.026 -1.623 0.000) 1.623 10.022 ( -2.929 -0.521 0.000) 2.975 11.580 ( 22.312 6.879 -0.000) 23.349 11.916 ( -12.167 13.326 -0.000) 18.045 16.486 ( 1.128 -1.696 0.000) 2.037 16.510 ( -1.293 -2.367 0.000) 2.697 17.137 ( 1.624 0.381 -0.000) 1.668 17.177 ( -2.437 0.359 -0.000) 2.464 17.255 ( 3.878 1.072 -0.000) 4.023 17.337 ( -4.821 -0.128 0.000) 4.823 17.871 ( 1.100 0.363 -0.000) 1.158 17.885 ( 0.277 0.836 -0.000) 0.881 17.948 ( 6.573 1.879 -0.000) 6.837 18.080 ( -6.511 2.396 -0.000) 6.937 18.216 ( 0.829 3.410 -0.000) 3.509 18.234 ( -0.968 4.076 -0.000) 4.189 20.825 ( 1.237 -5.041 0.000) 5.191 20.866 ( -3.608 -8.015 0.000) 8.789 21.660 ( 0.263 0.890 -0.000) 0.928 21.665 ( -0.251 0.686 -0.000) 0.730 22.272 ( 1.847 2.351 -0.000) 2.990 22.300 ( -1.195 1.250 -0.000) 1.729 26.720 ( 1.396 -0.761 0.000) 1.590 26.745 ( -1.182 -0.596 0.000) 1.324 27.154 ( 2.142 0.557 -0.000) 2.213 27.202 ( -2.764 0.707 -0.000) 2.853 27.379 ( 1.795 -0.609 0.000) 1.895 27.412 ( -1.578 -0.564 0.000) 1.676 34.985 ( 5.993 2.361 -0.000) 6.441 35.082 ( -3.208 6.010 -0.000) 6.813 36.666 ( 4.480 19.883 -0.000) 20.381 36.700 ( -0.071 15.927 -0.000) 15.927 37.606 ( 8.417 9.237 -0.000) 12.496 37.713 ( -2.416 5.364 -0.000) 5.883 37.919 ( 1.993 -2.571 0.000) 3.253 37.992 ( -4.185 -4.091 0.000) 5.852 38.282 ( 1.937 -4.117 0.000) 4.550 38.327 ( -2.200 -5.405 0.000) 5.835 38.856 ( 3.704 -12.098 0.000) 12.652 38.985 ( -11.021 -21.683 0.000) 24.323 ======================= Grid point 100 (40/75) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.000 0.000 -1.541) 1.541 2.488 ( 0.000 -0.000 21.609) 21.609 2.532 ( 0.000 -0.000 30.913) 30.913 3.045 ( 0.000 0.000 -2.476) 2.476 3.209 ( 0.000 0.000 -0.349) 0.349 3.378 ( 0.000 -0.000 13.144) 13.144 3.443 ( 0.000 -0.000 0.328) 0.328 3.603 ( 0.000 0.000 -11.579) 11.579 3.773 ( 0.000 -0.000 11.852) 11.852 3.996 ( 0.000 -0.000 2.660) 2.660 4.030 ( 0.000 -0.000 16.363) 16.363 4.096 ( 0.000 0.000 -3.499) 3.499 4.418 ( 0.000 0.000 -1.312) 1.312 4.600 ( 0.000 -0.000 6.950) 6.950 4.741 ( 0.000 -0.000 0.332) 0.332 4.782 ( 0.000 -0.000 3.146) 3.146 5.008 ( 0.000 -0.000 6.502) 6.502 5.026 ( 0.000 0.000 -0.600) 0.600 5.057 ( 0.000 0.000 -0.839) 0.839 5.184 ( 0.000 0.000 -1.965) 1.965 5.270 ( 0.000 -0.000 12.681) 12.681 5.339 ( 0.000 0.000 -1.954) 1.954 5.402 ( 0.000 -0.000 7.014) 7.014 5.637 ( 0.000 -0.000 2.918) 2.918 5.678 ( 0.000 0.000 -9.240) 9.240 6.091 ( 0.000 -0.000 8.838) 8.838 6.099 ( 0.000 0.000 -3.061) 3.061 6.175 ( 0.000 0.000 -1.460) 1.460 6.177 ( 0.000 -0.000 12.247) 12.247 6.322 ( 0.000 0.000 -7.642) 7.642 6.491 ( 0.000 -0.000 0.119) 0.119 6.748 ( 0.000 0.000 -10.853) 10.853 6.770 ( 0.000 -0.000 13.720) 13.720 6.792 ( 0.000 0.000 -3.069) 3.069 6.799 ( 0.000 -0.000 6.151) 6.151 6.809 ( 0.000 0.000 -1.988) 1.988 7.111 ( 0.000 0.000 -9.372) 9.372 7.168 ( 0.000 0.000 -1.033) 1.033 7.195 ( 0.000 -0.000 14.909) 14.909 7.348 ( 0.000 0.000 -2.926) 2.926 7.453 ( 0.000 -0.000 6.224) 6.224 7.543 ( 0.000 -0.000 3.307) 3.307 7.561 ( 0.000 -0.000 0.664) 0.664 7.630 ( 0.000 0.000 -2.546) 2.546 7.695 ( 0.000 0.000 -2.631) 2.631 7.925 ( 0.000 0.000 -1.867) 1.867 7.956 ( 0.000 0.000 -9.398) 9.398 8.023 ( 0.000 -0.000 1.984) 1.984 8.168 ( 0.000 0.000 -5.556) 5.556 8.238 ( 0.000 -0.000 6.860) 6.860 8.357 ( 0.000 0.000 -2.435) 2.435 8.423 ( 0.000 -0.000 7.848) 7.848 8.466 ( 0.000 0.000 -0.177) 0.177 8.809 ( 0.000 0.000 -0.305) 0.305 8.924 ( 0.000 0.000 -8.075) 8.075 8.985 ( 0.000 -0.000 4.299) 4.299 9.199 ( 0.000 -0.000 2.568) 2.568 9.283 ( 0.000 0.000 -8.553) 8.553 9.741 ( 0.000 0.000 -16.751) 16.751 9.897 ( 0.000 -0.000 1.491) 1.491 10.046 ( 0.000 -0.000 5.985) 5.985 10.057 ( 0.000 -0.000 24.223) 24.223 10.344 ( 0.000 -0.000 3.210) 3.210 10.549 ( 0.000 0.000 -8.746) 8.746 10.632 ( 0.000 -0.000 8.034) 8.034 11.624 ( 0.000 0.000 -27.053) 27.053 16.525 ( 0.000 -0.000 0.310) 0.310 16.628 ( 0.000 -0.000 2.348) 2.348 17.162 ( 0.000 0.000 -1.298) 1.298 17.263 ( 0.000 -0.000 0.555) 0.555 17.399 ( 0.000 0.000 -1.716) 1.716 17.417 ( 0.000 -0.000 3.905) 3.905 17.546 ( 0.000 0.000 -3.678) 3.678 17.637 ( 0.000 0.000 -3.616) 3.616 17.799 ( 0.000 -0.000 0.973) 0.973 17.870 ( 0.000 0.000 -8.610) 8.610 17.909 ( 0.000 -0.000 0.503) 0.503 18.015 ( 0.000 0.000 -5.774) 5.774 20.884 ( 0.000 -0.000 3.294) 3.294 20.916 ( 0.000 -0.000 2.185) 2.185 21.670 ( 0.000 0.000 -0.521) 0.521 21.727 ( 0.000 0.000 -1.168) 1.168 22.114 ( 0.000 0.000 -0.036) 0.036 22.243 ( 0.000 0.000 -0.416) 0.416 26.738 ( 0.000 -0.000 0.892) 0.892 26.777 ( 0.000 -0.000 0.603) 0.603 27.247 ( 0.000 -0.000 1.202) 1.202 27.284 ( 0.000 0.000 -1.420) 1.420 27.387 ( 0.000 -0.000 1.384) 1.384 27.486 ( 0.000 -0.000 1.006) 1.006 34.755 ( 0.000 -0.000 0.258) 0.258 34.803 ( 0.000 0.000 -1.984) 1.984 36.063 ( 0.000 0.000 -2.752) 2.752 36.575 ( 0.000 0.000 -13.594) 13.594 36.843 ( 0.000 -0.000 2.976) 2.976 37.446 ( 0.000 -0.000 15.628) 15.628 37.854 ( 0.000 0.000 -0.277) 0.277 37.972 ( 0.000 0.000 -0.302) 0.302 38.710 ( 0.000 0.000 -3.429) 3.429 38.938 ( 0.000 0.000 -1.230) 1.230 39.609 ( 0.000 -0.000 12.987) 12.987 40.215 ( 0.000 0.000 -10.794) 10.794 ======================= Grid point 101 (41/75) ======================= q-point: ( 0.20 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 27.285 0.000 -3.886) 27.561 2.495 ( -0.243 -0.000 16.614) 16.615 2.687 ( 13.950 -0.000 25.561) 29.120 3.006 ( -2.938 0.000 -0.596) 2.998 3.217 ( 0.508 -0.000 1.259) 1.357 3.304 ( -6.470 -0.000 9.504) 11.497 3.398 ( -4.275 -0.000 7.296) 8.456 3.628 ( -1.497 -0.000 0.317) 1.530 3.793 ( 3.411 -0.000 7.413) 8.160 3.933 ( -1.128 0.000 -0.167) 1.140 4.036 ( 0.667 -0.000 13.107) 13.124 4.190 ( 5.014 0.000 -3.157) 5.925 4.434 ( 1.914 0.000 -0.379) 1.952 4.659 ( 5.038 -0.000 4.945) 7.059 4.720 ( -2.247 -0.000 3.230) 3.935 4.791 ( -3.141 -0.000 4.708) 5.660 4.853 ( -6.082 0.000 -6.386) 8.819 4.985 ( -4.064 -0.000 6.440) 7.615 5.137 ( 3.414 0.000 -0.232) 3.422 5.154 ( 1.691 0.000 -4.174) 4.504 5.356 ( 2.089 0.000 -0.924) 2.284 5.362 ( 5.578 -0.000 11.143) 12.461 5.505 ( 8.505 -0.000 4.381) 9.566 5.657 ( 2.120 -0.000 3.427) 4.029 5.716 ( 3.559 0.000 -6.793) 7.669 6.069 ( -1.849 -0.000 2.047) 2.758 6.083 ( -2.624 0.000 -3.824) 4.637 6.152 ( -3.313 -0.000 10.460) 10.972 6.202 ( 2.467 -0.000 4.284) 4.944 6.230 ( -4.554 0.000 -4.037) 6.086 6.538 ( 0.819 -0.000 3.273) 3.374 6.599 ( -10.644 -0.000 8.513) 13.629 6.749 ( -2.101 -0.000 10.488) 10.697 6.769 ( 1.970 0.000 -7.670) 7.919 6.810 ( 1.412 0.000 -2.583) 2.944 6.894 ( 1.573 0.000 -3.999) 4.297 7.077 ( -2.623 0.000 -6.323) 6.845 7.140 ( -2.538 -0.000 1.787) 3.104 7.261 ( 4.969 -0.000 10.288) 11.426 7.276 ( -4.324 -0.000 2.154) 4.831 7.449 ( -2.395 -0.000 2.263) 3.295 7.516 ( -2.439 -0.000 2.932) 3.814 7.555 ( -0.629 0.000 -0.293) 0.694 7.647 ( 4.240 0.000 -3.816) 5.705 7.781 ( 3.597 0.000 -4.755) 5.962 7.901 ( -2.934 0.000 -4.012) 4.970 7.941 ( -0.534 0.000 -6.703) 6.724 8.002 ( -2.855 0.000 -1.286) 3.131 8.138 ( 0.245 -0.000 5.211) 5.217 8.240 ( -1.154 0.000 -1.733) 2.082 8.363 ( 2.795 -0.000 9.673) 10.069 8.468 ( 2.801 -0.000 2.891) 4.026 8.528 ( 4.940 0.000 -7.281) 8.798 8.804 ( 1.842 0.000 -0.234) 1.857 8.908 ( -6.826 -0.000 1.342) 6.956 8.995 ( 5.241 0.000 -5.750) 7.780 9.147 ( -4.336 0.000 -7.586) 8.738 9.274 ( -2.967 0.000 -1.061) 3.151 9.713 ( -0.083 0.000 -5.034) 5.035 9.882 ( -1.699 -0.000 2.790) 3.266 10.078 ( 2.390 -0.000 21.923) 22.053 10.114 ( 4.866 -0.000 5.180) 7.107 10.341 ( -0.284 -0.000 2.972) 2.986 10.495 ( -4.986 -0.000 1.317) 5.157 10.739 ( 10.274 0.000 -7.858) 12.935 11.523 ( -10.079 0.000 -26.163) 28.037 16.539 ( 1.435 -0.000 0.293) 1.465 16.623 ( -0.591 -0.000 2.052) 2.135 17.162 ( 0.084 0.000 -0.865) 0.869 17.243 ( -1.901 -0.000 0.791) 2.059 17.406 ( 0.774 0.000 -1.655) 1.827 17.425 ( 0.660 -0.000 2.557) 2.641 17.553 ( 0.684 0.000 -2.565) 2.655 17.621 ( -1.445 0.000 -2.250) 2.674 17.807 ( 0.560 0.000 -1.131) 1.262 17.861 ( -1.040 0.000 -7.727) 7.797 17.924 ( 1.530 -0.000 0.240) 1.549 18.005 ( -0.844 0.000 -5.401) 5.467 20.886 ( 0.238 -0.000 3.245) 3.254 20.912 ( -0.425 -0.000 2.380) 2.418 21.673 ( 0.311 0.000 -0.491) 0.581 21.717 ( -0.898 0.000 -0.896) 1.268 22.131 ( 1.625 0.000 -0.314) 1.655 22.234 ( -0.981 0.000 -0.490) 1.096 26.737 ( -0.025 -0.000 0.923) 0.924 26.770 ( -0.693 -0.000 0.634) 0.939 27.242 ( -0.405 -0.000 1.066) 1.140 27.269 ( -1.310 0.000 -1.070) 1.692 27.402 ( 1.326 -0.000 1.238) 1.814 27.478 ( -0.829 -0.000 1.020) 1.315 34.812 ( 5.072 0.000 -1.174) 5.206 34.837 ( 3.236 0.000 -2.122) 3.870 36.089 ( 2.914 0.000 -3.372) 4.457 36.494 ( -7.313 0.000 -11.477) 13.609 36.912 ( 6.186 -0.000 2.656) 6.733 37.380 ( -6.588 -0.000 13.826) 15.315 37.867 ( 1.335 0.000 -0.301) 1.368 37.964 ( -0.878 0.000 -0.242) 0.911 38.726 ( 1.656 0.000 -2.667) 3.139 38.906 ( -3.083 0.000 -0.711) 3.164 39.661 ( 5.202 -0.000 11.022) 12.188 40.143 ( -7.145 0.000 -7.492) 10.352 ======================= Grid point 102 (42/75) ======================= q-point: ( 0.40 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 26.664 0.000 -4.820) 27.096 2.398 ( -12.390 -0.000 2.401) 12.620 2.939 ( 9.956 -0.000 15.263) 18.223 2.989 ( 1.703 -0.000 8.988) 9.148 3.173 ( -5.190 -0.000 1.473) 5.394 3.177 ( -5.839 -0.000 3.954) 7.052 3.376 ( 4.171 -0.000 19.310) 19.756 3.513 ( -8.540 -0.000 15.383) 17.595 3.901 ( 5.727 -0.000 5.035) 7.625 3.946 ( 0.303 -0.000 1.638) 1.666 4.079 ( 5.285 -0.000 4.735) 7.095 4.208 ( -4.498 0.000 -0.054) 4.499 4.494 ( 4.342 0.000 -0.793) 4.414 4.601 ( -7.481 0.000 -2.384) 7.852 4.722 ( -0.184 -0.000 3.655) 3.660 4.729 ( 1.084 -0.000 2.842) 3.041 4.861 ( 1.712 0.000 -2.466) 3.002 4.901 ( -3.259 -0.000 0.693) 3.332 5.200 ( 2.281 0.000 -1.288) 2.620 5.203 ( 1.774 0.000 -2.946) 3.439 5.414 ( 3.515 0.000 -0.988) 3.651 5.439 ( 1.781 -0.000 4.763) 5.085 5.675 ( 7.816 -0.000 1.932) 8.051 5.705 ( 2.329 -0.000 4.497) 5.064 5.790 ( 4.942 0.000 -0.802) 5.007 5.959 ( -9.867 0.000 -6.026) 11.562 6.034 ( -1.057 0.000 -2.425) 2.645 6.068 ( -4.299 -0.000 2.534) 4.990 6.218 ( 1.778 -0.000 8.571) 8.754 6.245 ( 0.661 -0.000 8.034) 8.062 6.452 ( -2.841 -0.000 11.597) 11.940 6.491 ( -4.388 -0.000 7.346) 8.557 6.743 ( 3.070 -0.000 3.835) 4.912 6.803 ( -0.185 0.000 -4.392) 4.396 6.873 ( 3.896 -0.000 1.659) 4.234 6.894 ( 0.164 0.000 -0.094) 0.190 7.019 ( -3.147 0.000 -2.931) 4.300 7.052 ( -6.033 -0.000 2.544) 6.547 7.243 ( 1.362 -0.000 1.282) 1.870 7.297 ( -2.415 -0.000 2.475) 3.458 7.433 ( 1.301 -0.000 0.369) 1.352 7.477 ( -2.188 -0.000 0.969) 2.393 7.570 ( 4.220 -0.000 0.248) 4.228 7.668 ( -3.449 0.000 -2.602) 4.320 7.810 ( 0.464 0.000 -3.835) 3.863 7.828 ( -2.694 0.000 -5.724) 6.326 7.947 ( 1.244 0.000 -4.656) 4.819 7.972 ( -0.795 -0.000 1.129) 1.381 8.169 ( 1.999 -0.000 3.854) 4.341 8.207 ( -1.950 -0.000 0.442) 1.999 8.440 ( 4.060 -0.000 6.438) 7.611 8.489 ( -0.821 -0.000 1.315) 1.550 8.638 ( 6.641 0.000 -9.602) 11.675 8.769 ( -7.240 0.000 -4.718) 8.641 8.899 ( 7.492 0.000 -0.948) 7.552 9.045 ( -6.756 0.000 -8.714) 11.027 9.087 ( 4.456 0.000 -2.808) 5.267 9.179 ( -5.624 -0.000 1.852) 5.921 9.758 ( 3.829 -0.000 3.669) 5.304 9.832 ( -3.530 -0.000 4.733) 5.905 10.145 ( 4.091 -0.000 16.931) 17.418 10.181 ( 1.327 -0.000 9.935) 10.023 10.338 ( 0.367 -0.000 2.499) 2.526 10.387 ( -5.225 -0.000 3.782) 6.450 10.984 ( 14.885 0.000 -19.152) 24.256 11.275 ( -15.149 0.000 -23.929) 28.322 16.573 ( 1.897 -0.000 0.538) 1.972 16.605 ( -1.348 -0.000 1.279) 1.858 17.171 ( 1.023 -0.000 0.055) 1.025 17.202 ( -2.127 -0.000 0.743) 2.253 17.424 ( 0.861 0.000 -1.113) 1.407 17.433 ( 0.005 -0.000 0.347) 0.347 17.569 ( 1.056 0.000 -0.911) 1.395 17.592 ( -1.393 0.000 -0.789) 1.601 17.817 ( 0.593 0.000 -3.767) 3.813 17.835 ( -1.370 0.000 -5.848) 6.006 17.959 ( 1.848 0.000 -1.548) 2.411 17.987 ( -1.113 0.000 -3.951) 4.104 20.892 ( 0.448 -0.000 3.079) 3.112 20.902 ( -0.558 -0.000 2.768) 2.824 21.682 ( 0.680 0.000 -0.448) 0.814 21.698 ( -1.007 0.000 -0.541) 1.143 22.169 ( 2.157 0.000 -0.641) 2.251 22.207 ( -1.793 0.000 -0.640) 1.903 26.740 ( 0.457 -0.000 0.879) 0.991 26.754 ( -0.898 -0.000 0.735) 1.161 27.237 ( 0.021 -0.000 0.508) 0.508 27.246 ( -0.923 0.000 -0.347) 0.986 27.430 ( 1.499 -0.000 1.124) 1.874 27.457 ( -1.307 -0.000 1.058) 1.682 34.897 ( 2.758 0.000 -2.826) 3.949 34.898 ( 2.334 0.000 -2.642) 3.525 36.180 ( 6.766 0.000 -5.597) 8.781 36.334 ( -8.920 0.000 -8.766) 12.507 37.052 ( 8.442 -0.000 5.278) 9.956 37.223 ( -9.236 -0.000 9.685) 13.383 37.901 ( 2.047 0.000 -0.316) 2.071 37.938 ( -1.802 0.000 -0.260) 1.820 38.771 ( 3.016 0.000 -1.228) 3.256 38.837 ( -3.834 0.000 -0.404) 3.856 39.795 ( 8.641 -0.000 6.219) 10.646 39.974 ( -9.857 0.000 -0.458) 9.868 ======================= Grid point 105 (43/75) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.000 2.115 -1.720) 2.726 2.629 ( 0.000 0.538 -5.419) 5.446 2.987 ( 0.000 -11.252 0.893) 11.288 3.023 ( 0.000 -0.397 24.441) 24.444 3.249 ( 0.000 13.056 1.351) 13.125 3.337 ( 0.000 -8.288 -9.656) 12.725 3.474 ( 0.000 2.544 -2.284) 3.419 3.606 ( 0.000 -9.613 13.065) 16.220 3.903 ( 0.000 -5.226 8.075) 9.618 3.983 ( 0.000 0.771 -8.893) 8.926 4.119 ( 0.000 8.813 7.523) 11.587 4.249 ( 0.000 -0.266 2.975) 2.987 4.447 ( 0.000 -0.388 9.155) 9.163 4.657 ( 0.000 1.872 -7.024) 7.269 4.657 ( 0.000 -3.644 1.180) 3.830 4.755 ( 0.000 -1.846 -0.614) 1.945 4.968 ( 0.000 -3.274 -4.291) 5.398 5.006 ( 0.000 -2.226 -0.751) 2.349 5.070 ( 0.000 3.863 -1.554) 4.164 5.183 ( 0.000 0.805 2.396) 2.528 5.366 ( 0.000 0.446 1.148) 1.231 5.384 ( 0.000 0.936 -2.178) 2.370 5.590 ( 0.000 1.417 -0.548) 1.519 5.651 ( 0.000 2.271 15.126) 15.296 5.775 ( 0.000 5.162 6.344) 8.179 5.993 ( 0.000 0.569 -7.679) 7.700 6.127 ( 0.000 -2.169 -1.021) 2.397 6.155 ( 0.000 -4.052 -2.766) 4.906 6.276 ( 0.000 6.907 0.317) 6.914 6.412 ( 0.000 2.124 6.509) 6.847 6.508 ( 0.000 -5.645 -7.440) 9.339 6.603 ( 0.000 -0.374 10.216) 10.222 6.677 ( 0.000 -5.579 -10.484) 11.876 6.760 ( 0.000 0.799 1.236) 1.472 6.890 ( 0.000 -0.571 4.212) 4.250 6.989 ( 0.000 -3.206 5.525) 6.387 7.022 ( 0.000 1.459 -1.552) 2.130 7.179 ( 0.000 8.218 0.834) 8.260 7.296 ( 0.000 -1.463 -1.170) 1.873 7.420 ( 0.000 2.650 7.980) 8.409 7.464 ( 0.000 -5.880 -0.284) 5.887 7.563 ( 0.000 1.691 -1.873) 2.523 7.587 ( 0.000 -4.029 -5.035) 6.448 7.650 ( 0.000 1.576 5.209) 5.442 7.682 ( 0.000 1.841 5.943) 6.222 7.838 ( 0.000 -2.150 -0.795) 2.292 7.853 ( 0.000 -8.782 -1.079) 8.848 8.011 ( 0.000 3.269 -4.692) 5.718 8.013 ( 0.000 -5.636 -6.750) 8.793 8.152 ( 0.000 8.072 -6.770) 10.535 8.330 ( 0.000 1.540 -1.758) 2.337 8.512 ( 0.000 1.290 2.329) 2.662 8.719 ( 0.000 4.347 7.257) 8.459 8.772 ( 0.000 -1.182 -2.398) 2.674 8.808 ( 0.000 0.471 0.044) 0.473 8.985 ( 0.000 1.877 -7.197) 7.437 9.218 ( 0.000 3.760 0.758) 3.835 9.264 ( 0.000 0.504 3.188) 3.228 9.440 ( 0.000 -0.223 -14.824) 14.825 9.897 ( 0.000 -4.461 1.217) 4.624 10.152 ( 0.000 2.367 3.750) 4.435 10.352 ( 0.000 -5.472 -2.573) 6.047 10.427 ( 0.000 -8.891 19.594) 21.517 10.458 ( 0.000 4.932 -0.029) 4.932 10.796 ( 0.000 8.247 8.464) 11.818 11.152 ( 0.000 -4.081 -24.689) 25.024 16.527 ( 0.000 -0.598 0.272) 0.657 16.660 ( 0.000 0.203 1.090) 1.109 17.132 ( 0.000 -0.226 -1.995) 2.008 17.249 ( 0.000 0.241 -2.062) 2.076 17.402 ( 0.000 -0.269 2.336) 2.352 17.443 ( 0.000 0.086 -1.925) 1.927 17.533 ( 0.000 -0.588 2.445) 2.514 17.602 ( 0.000 1.268 -0.993) 1.611 17.748 ( 0.000 -1.460 -2.874) 3.224 17.829 ( 0.000 2.369 0.416) 2.405 17.909 ( 0.000 -2.273 -0.514) 2.330 17.959 ( 0.000 2.729 -0.836) 2.854 20.910 ( 0.000 -4.258 3.519) 5.524 20.998 ( 0.000 4.095 3.303) 5.261 21.647 ( 0.000 -1.600 -1.010) 1.892 21.716 ( 0.000 1.662 -1.179) 2.038 22.114 ( 0.000 0.003 -0.014) 0.015 22.243 ( 0.000 0.016 0.362) 0.362 26.740 ( 0.000 -1.952 0.670) 2.064 26.799 ( 0.000 2.020 0.399) 2.059 27.251 ( 0.000 -0.414 -1.047) 1.126 27.260 ( 0.000 0.453 -0.923) 1.028 27.405 ( 0.000 -0.143 0.631) 0.647 27.502 ( 0.000 -0.260 0.832) 0.872 34.750 ( 0.000 -0.743 -0.536) 0.916 34.775 ( 0.000 1.072 -1.494) 1.838 36.021 ( 0.000 0.488 -2.169) 2.223 36.398 ( 0.000 0.640 -7.346) 7.374 36.921 ( 0.000 -0.738 6.135) 6.179 37.714 ( 0.000 -3.039 16.258) 16.540 37.806 ( 0.000 -6.389 0.278) 6.395 38.027 ( 0.000 10.375 -1.092) 10.433 38.617 ( 0.000 -1.592 -6.217) 6.418 38.872 ( 0.000 1.791 -6.930) 7.158 39.736 ( 0.000 -8.294 4.012) 9.214 40.040 ( 0.000 6.111 -10.445) 12.101 ======================= Grid point 106 (44/75) ======================= q-point: ( 0.20 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 25.358 1.704 -2.523) 25.540 2.577 ( -5.527 1.113 -5.839) 8.117 2.912 ( -4.205 -10.998 1.039) 11.820 3.115 ( 3.359 6.200 11.891) 13.825 3.281 ( 1.478 1.073 3.924) 4.328 3.382 ( 2.651 -0.443 4.722) 5.433 3.481 ( 3.088 -1.453 0.463) 3.444 3.654 ( 6.497 -7.350 3.713) 10.489 3.912 ( 1.260 -4.443 9.993) 11.009 3.960 ( -0.980 -0.379 0.449) 1.143 4.168 ( 2.860 4.726 2.915) 6.246 4.219 ( -2.353 0.668 3.925) 4.625 4.444 ( 0.093 -0.324 4.577) 4.589 4.604 ( -3.470 1.542 -10.032) 10.727 4.676 ( 0.785 -3.002 -1.295) 3.362 4.793 ( 1.795 0.751 0.266) 1.964 4.876 ( -7.573 -1.071 1.887) 7.878 5.040 ( -0.294 -2.475 -2.791) 3.742 5.068 ( 1.113 0.495 1.023) 1.590 5.156 ( 1.073 3.245 -0.130) 3.421 5.379 ( 1.513 2.093 0.332) 2.604 5.452 ( 4.581 -0.416 -0.725) 4.657 5.587 ( 1.216 1.959 0.147) 2.310 5.730 ( 4.317 -2.572 8.454) 9.835 5.791 ( 3.435 4.532 7.457) 9.378 6.004 ( -0.033 3.347 -4.697) 5.768 6.050 ( -6.502 -3.631 -2.401) 7.825 6.096 ( -4.262 -0.014 -1.547) 4.534 6.299 ( 1.811 3.881 1.558) 4.557 6.408 ( -1.648 2.615 5.522) 6.328 6.537 ( 2.375 -6.752 -6.983) 10.000 6.650 ( 1.897 -0.960 2.809) 3.523 6.690 ( 0.734 -4.174 -0.166) 4.241 6.739 ( 1.118 0.385 2.009) 2.331 6.878 ( -0.625 0.067 1.368) 1.506 6.952 ( -3.270 -2.323 3.274) 5.178 7.016 ( -0.167 2.301 1.716) 2.875 7.155 ( -2.014 5.286 -0.260) 5.662 7.280 ( -2.517 1.047 -1.616) 3.170 7.430 ( 0.109 -2.972 6.593) 7.233 7.479 ( 0.552 -3.746 -0.575) 3.830 7.499 ( -3.665 -1.359 -1.449) 4.168 7.582 ( -0.647 2.707 2.082) 3.476 7.637 ( -2.502 -0.093 8.072) 8.452 7.709 ( 2.751 -1.786 -4.187) 5.319 7.788 ( -3.186 -1.557 -4.770) 5.943 7.837 ( -3.412 -2.653 -4.699) 6.385 7.984 ( 3.385 0.725 -0.582) 3.511 8.133 ( 5.747 0.841 -3.944) 7.021 8.195 ( 3.632 4.179 -1.719) 5.798 8.352 ( 2.821 0.242 -4.019) 4.916 8.509 ( -0.454 0.335 0.888) 1.052 8.621 ( -5.147 3.377 3.190) 6.933 8.814 ( -0.776 -3.601 -1.455) 3.961 8.871 ( 3.532 -3.689 3.147) 5.999 8.958 ( -3.355 2.302 -1.996) 4.532 9.015 ( -7.067 7.136 -6.143) 11.773 9.289 ( -2.099 3.720 -1.369) 4.486 9.601 ( 11.191 -1.549 -6.177) 12.876 9.897 ( -0.174 -3.168 0.852) 3.285 10.205 ( 5.042 1.344 3.403) 6.230 10.363 ( 1.250 -4.521 -2.821) 5.473 10.390 ( -2.306 -5.195 10.494) 11.934 10.482 ( 1.272 2.608 7.733) 8.260 10.774 ( -1.997 6.621 7.194) 9.979 11.070 ( -8.120 -3.761 -23.356) 25.012 16.541 ( 1.363 -0.738 0.270) 1.573 16.651 ( -0.931 0.351 0.903) 1.344 17.137 ( 0.523 -0.483 -1.716) 1.858 17.233 ( -1.470 0.502 -1.871) 2.432 17.406 ( 0.401 -0.721 2.088) 2.245 17.448 ( 0.408 0.174 -0.704) 0.832 17.542 ( 0.837 -0.753 1.640) 1.989 17.601 ( -0.036 1.683 -0.768) 1.850 17.754 ( 0.531 -1.251 -2.562) 2.900 17.813 ( -1.424 1.092 0.503) 1.864 17.915 ( 0.520 -0.925 -1.626) 1.941 17.953 ( -0.481 2.505 -0.754) 2.660 20.910 ( 0.002 -4.275 3.509) 5.530 20.997 ( -0.065 4.111 3.338) 5.296 21.648 ( 0.168 -1.777 -1.016) 2.054 21.710 ( -0.509 1.799 -1.120) 2.180 22.128 ( 1.428 -0.000 -0.033) 1.429 22.233 ( -1.096 0.039 0.289) 1.134 26.738 ( -0.107 -2.006 0.699) 2.127 26.794 ( -0.495 2.041 0.486) 2.156 27.242 ( -0.795 -0.272 -1.388) 1.623 27.250 ( -0.797 0.303 -0.573) 1.028 27.419 ( 1.262 -0.145 0.631) 1.418 27.493 ( -0.823 -0.234 0.811) 1.179 34.787 ( 3.374 -0.767 -1.207) 3.664 34.809 ( 3.156 1.189 -1.627) 3.745 36.039 ( 1.937 0.076 -2.297) 3.005 36.345 ( -5.020 1.280 -6.495) 8.308 36.988 ( 6.706 -1.373 6.515) 9.450 37.616 ( -9.297 -2.643 13.982) 16.997 37.817 ( 0.902 -6.353 0.780) 6.464 38.026 ( -0.185 10.571 -0.753) 10.599 38.636 ( 1.717 -3.236 -5.796) 6.857 38.858 ( -1.316 3.320 -6.368) 7.301 39.742 ( 0.615 -9.706 2.199) 9.971 40.025 ( -1.456 7.359 -8.226) 11.133 ======================= Grid point 107 (45/75) ======================= q-point: ( 0.40 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 26.824 1.126 -3.421) 27.065 2.382 ( -16.225 2.607 -4.455) 17.026 2.856 ( -1.224 -13.827 -4.939) 14.733 3.121 ( -1.555 10.132 -6.622) 12.204 3.266 ( -0.367 -3.323 13.096) 13.516 3.361 ( -2.208 4.132 8.590) 9.785 3.666 ( 9.897 -2.598 12.342) 16.032 3.767 ( 1.763 -3.216 8.552) 9.305 3.928 ( 3.089 -8.105 8.188) 11.928 3.995 ( 1.208 -4.277 2.168) 4.945 4.143 ( -1.474 -1.310 5.975) 6.292 4.240 ( 1.405 6.252 1.104) 6.503 4.444 ( -0.526 -2.049 -0.804) 2.263 4.534 ( -3.001 3.296 -5.172) 6.828 4.676 ( -1.175 -4.332 -4.038) 6.038 4.727 ( -3.149 -0.488 -1.832) 3.676 4.851 ( 1.144 4.021 -2.840) 5.054 4.944 ( -4.127 5.395 -0.931) 6.856 5.163 ( 3.665 -1.925 0.696) 4.198 5.205 ( 2.575 -0.674 2.457) 3.622 5.420 ( 2.450 0.838 -0.756) 2.697 5.501 ( 0.335 3.208 -0.095) 3.226 5.646 ( 4.942 0.153 -2.265) 5.439 5.746 ( -3.160 -2.705 -0.563) 4.198 5.883 ( 2.927 -0.666 5.456) 6.228 5.923 ( -2.630 0.311 4.649) 5.351 6.002 ( -0.516 1.325 -0.581) 1.536 6.048 ( -1.532 2.038 -0.745) 2.657 6.306 ( -0.728 -0.630 0.591) 1.130 6.387 ( 0.095 5.753 1.416) 5.925 6.538 ( -1.554 -7.444 4.275) 8.724 6.636 ( -1.900 0.773 3.429) 3.995 6.720 ( 3.584 -4.872 -2.480) 6.537 6.812 ( 1.213 -0.959 -0.919) 1.798 6.882 ( 1.292 1.467 -0.664) 2.064 6.923 ( 1.252 2.705 1.748) 3.455 7.018 ( 0.644 0.783 4.394) 4.509 7.096 ( -4.397 0.880 -0.053) 4.484 7.242 ( 0.460 -1.567 -0.691) 1.773 7.357 ( -5.733 -0.420 2.323) 6.199 7.470 ( 0.485 -1.509 2.510) 2.969 7.496 ( -0.499 -2.516 2.300) 3.445 7.550 ( -1.720 -3.188 1.377) 3.875 7.614 ( 0.469 2.470 -1.107) 2.747 7.693 ( -1.572 -1.666 -4.825) 5.341 7.752 ( -2.241 2.883 -3.065) 4.767 7.873 ( 6.408 0.911 -3.296) 7.264 7.989 ( -3.322 3.428 -1.051) 4.888 8.232 ( 2.200 0.917 2.811) 3.685 8.245 ( 2.415 1.545 2.762) 3.981 8.434 ( 3.891 -3.034 -7.107) 8.652 8.506 ( 1.522 0.132 -3.983) 4.266 8.560 ( -0.573 1.474 2.865) 3.273 8.680 ( -9.628 -4.131 -0.418) 10.485 8.870 ( 0.007 -2.681 0.971) 2.852 8.959 ( 0.256 6.576 -6.775) 9.445 9.017 ( 2.857 -2.509 -1.293) 4.016 9.236 ( -2.518 8.960 -1.129) 9.376 9.764 ( 5.255 -4.675 -0.803) 7.080 9.882 ( -1.282 0.050 -0.428) 1.353 10.302 ( 3.696 -2.043 3.984) 5.806 10.351 ( -1.420 -5.024 6.640) 8.446 10.411 ( 2.762 0.819 2.668) 3.926 10.503 ( 1.074 5.045 6.955) 8.659 10.753 ( 1.148 0.885 -2.746) 3.105 10.883 ( -9.892 -2.123 -17.703) 20.390 16.572 ( 1.621 -1.429 0.327) 2.186 16.627 ( -1.357 1.049 0.507) 1.789 17.151 ( 0.837 -1.404 -1.347) 2.118 17.203 ( -1.389 1.376 -1.359) 2.381 17.416 ( 0.465 -1.773 1.708) 2.505 17.453 ( 0.028 0.810 0.757) 1.109 17.556 ( 0.394 -1.277 0.668) 1.494 17.602 ( 0.098 2.633 -0.484) 2.679 17.764 ( 0.647 -0.883 -1.353) 1.740 17.785 ( -1.324 -0.313 0.072) 1.362 17.926 ( 0.533 0.586 -2.452) 2.577 17.944 ( -0.412 1.990 -1.566) 2.565 20.910 ( 0.001 -4.300 3.493) 5.540 20.996 ( -0.039 4.136 3.393) 5.350 21.652 ( 0.143 -2.218 -1.035) 2.452 21.701 ( -0.345 2.179 -1.024) 2.432 22.163 ( 2.051 -0.084 -0.008) 2.052 22.204 ( -1.853 0.153 0.123) 1.863 26.737 ( -0.028 -2.189 0.715) 2.303 26.784 ( -0.363 2.172 0.638) 2.293 27.230 ( -0.320 -0.166 -1.152) 1.208 27.236 ( -0.542 0.197 -0.814) 0.998 27.445 ( 1.457 -0.206 0.682) 1.622 27.473 ( -1.276 -0.150 0.747) 1.486 34.847 ( 2.116 -0.602 -2.050) 3.007 34.865 ( 1.987 1.195 -2.098) 3.127 36.093 ( 3.394 -2.051 -2.847) 4.882 36.238 ( -5.153 3.654 -5.083) 8.107 37.155 ( 10.183 -3.467 8.713) 13.843 37.404 ( -11.746 -0.652 10.361) 15.676 37.833 ( 0.562 -7.028 0.906) 7.108 38.020 ( -0.273 11.306 -0.531) 11.322 38.667 ( 1.122 -6.925 -5.563) 8.953 38.833 ( -0.993 6.946 -5.315) 8.802 39.754 ( 0.455 -12.575 -1.300) 12.650 39.998 ( -0.967 9.969 -4.076) 10.814 ======================= Grid point 110 (46/75) ======================= q-point: ( 0.00 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.000 3.976 -1.192) 4.151 2.455 ( 0.000 0.580 -12.911) 12.924 2.822 ( 0.000 -14.281 -4.998) 15.131 2.975 ( 0.000 -18.073 -13.203) 22.382 3.299 ( 0.000 -4.713 1.917) 5.088 3.423 ( 0.000 10.344 2.549) 10.654 3.526 ( 0.000 2.377 7.871) 8.222 3.600 ( 0.000 -13.677 2.816) 13.963 3.907 ( 0.000 10.214 -3.304) 10.735 4.042 ( 0.000 -4.741 11.439) 12.383 4.183 ( 0.000 -1.153 -6.343) 6.447 4.290 ( 0.000 -1.976 3.848) 4.326 4.530 ( 0.000 -4.352 0.502) 4.381 4.587 ( 0.000 -5.852 -0.111) 5.853 4.687 ( 0.000 -0.181 6.949) 6.952 4.748 ( 0.000 5.119 -6.114) 7.974 4.918 ( 0.000 1.723 1.959) 2.609 4.984 ( 0.000 -0.120 1.133) 1.139 5.061 ( 0.000 -0.794 -1.390) 1.601 5.237 ( 0.000 -4.955 -12.200) 13.168 5.268 ( 0.000 3.179 4.061) 5.157 5.372 ( 0.000 1.900 -0.329) 1.928 5.641 ( 0.000 0.652 3.330) 3.394 5.692 ( 0.000 -8.615 -5.852) 10.415 5.876 ( 0.000 1.542 0.098) 1.545 5.984 ( 0.000 2.608 -0.457) 2.648 6.110 ( 0.000 -1.766 0.927) 1.995 6.111 ( 0.000 3.544 0.057) 3.544 6.270 ( 0.000 -6.573 -6.713) 9.395 6.273 ( 0.000 2.682 -5.175) 5.829 6.474 ( 0.000 -1.264 -5.951) 6.084 6.526 ( 0.000 4.391 2.076) 4.857 6.700 ( 0.000 -3.437 -2.363) 4.171 6.823 ( 0.000 -7.010 -0.419) 7.022 6.859 ( 0.000 0.132 7.019) 7.020 6.985 ( 0.000 -0.351 -4.706) 4.719 7.013 ( 0.000 0.709 -0.897) 1.144 7.235 ( 0.000 4.547 -2.080) 5.001 7.271 ( 0.000 -1.109 -1.967) 2.258 7.403 ( 0.000 -2.946 -4.625) 5.484 7.421 ( 0.000 -0.949 0.028) 0.950 7.567 ( 0.000 0.902 2.501) 2.659 7.608 ( 0.000 2.158 1.385) 2.564 7.705 ( 0.000 1.873 -2.252) 2.930 7.728 ( 0.000 -5.607 3.535) 6.628 7.868 ( 0.000 -3.216 10.129) 10.627 7.887 ( 0.000 2.746 -1.323) 3.048 7.969 ( 0.000 -1.936 6.709) 6.982 8.004 ( 0.000 0.699 5.181) 5.228 8.198 ( 0.000 8.557 2.055) 8.801 8.330 ( 0.000 0.694 0.893) 1.131 8.574 ( 0.000 2.437 3.765) 4.485 8.634 ( 0.000 -2.270 -12.860) 13.058 8.715 ( 0.000 -1.503 -2.851) 3.223 8.720 ( 0.000 8.453 -11.327) 14.133 9.014 ( 0.000 -2.877 6.975) 7.545 9.289 ( 0.000 -0.831 0.223) 0.860 9.297 ( 0.000 2.028 -0.517) 2.093 9.381 ( 0.000 7.581 6.286) 9.848 9.852 ( 0.000 -5.748 -0.771) 5.800 10.181 ( 0.000 0.904 -2.380) 2.546 10.255 ( 0.000 -4.401 -1.791) 4.752 10.504 ( 0.000 -14.380 4.004) 14.927 10.564 ( 0.000 4.813 4.839) 6.825 10.720 ( 0.000 -4.832 -18.431) 19.054 11.095 ( 0.000 15.972 9.104) 18.385 16.522 ( 0.000 -1.049 0.091) 1.053 16.668 ( 0.000 -0.438 0.102) 0.450 17.099 ( 0.000 0.827 -1.915) 2.086 17.211 ( 0.000 0.691 -2.583) 2.674 17.347 ( 0.000 -0.147 -7.413) 7.414 17.476 ( 0.000 -0.241 5.724) 5.729 17.588 ( 0.000 -0.173 3.418) 3.422 17.633 ( 0.000 1.872 3.019) 3.552 17.729 ( 0.000 -1.000 0.857) 1.317 17.881 ( 0.000 4.009 2.370) 4.657 17.889 ( 0.000 -1.178 1.001) 1.546 18.007 ( 0.000 3.025 2.420) 3.874 20.930 ( 0.000 -4.794 3.828) 6.135 21.089 ( 0.000 2.117 3.603) 4.179 21.616 ( 0.000 -0.959 -0.861) 1.289 21.711 ( 0.000 1.980 -1.552) 2.515 22.114 ( 0.000 0.016 0.007) 0.017 22.254 ( 0.000 0.127 0.790) 0.800 26.730 ( 0.000 -1.987 0.502) 2.050 26.819 ( 0.000 1.558 -0.242) 1.576 27.220 ( 0.000 -0.270 -1.765) 1.786 27.252 ( 0.000 0.659 -0.851) 1.076 27.404 ( 0.000 -0.623 -0.286) 0.685 27.506 ( 0.000 -0.654 0.127) 0.666 34.735 ( 0.000 -0.214 -0.419) 0.471 34.769 ( 0.000 1.454 -0.747) 1.635 36.009 ( 0.000 2.701 -0.778) 2.811 36.324 ( 0.000 1.802 -3.072) 3.562 37.023 ( 0.000 -2.575 7.322) 7.761 37.775 ( 0.000 -4.500 2.599) 5.197 37.918 ( 0.000 -9.285 13.945) 16.754 38.096 ( 0.000 11.413 -4.147) 12.143 38.489 ( 0.000 -2.067 -5.423) 5.804 38.758 ( 0.000 5.122 -9.583) 10.866 39.563 ( 0.000 -11.524 -9.783) 15.117 40.005 ( 0.000 8.662 -5.120) 10.062 ======================= Grid point 111 (47/75) ======================= q-point: ( 0.20 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 24.445 3.880 -1.403) 24.791 2.422 ( -3.113 1.475 -11.884) 12.373 2.759 ( -5.191 -12.932 -4.222) 14.561 3.096 ( 5.717 -10.599 -8.434) 14.702 3.318 ( 1.210 -11.576 -3.663) 12.202 3.411 ( 1.710 7.193 0.380) 7.403 3.520 ( 0.025 -2.294 4.517) 5.066 3.668 ( 6.950 -5.691 6.672) 11.190 3.907 ( 0.528 0.927 -1.344) 1.716 4.049 ( -0.092 -4.077 6.913) 8.026 4.185 ( 0.639 -1.695 -3.735) 4.151 4.315 ( 1.357 -1.961 5.015) 5.553 4.471 ( -1.817 2.585 -0.298) 3.173 4.585 ( -2.352 -3.216 -1.482) 4.251 4.639 ( -2.617 0.232 5.529) 6.122 4.807 ( 2.375 4.419 -2.753) 5.723 4.869 ( -3.615 -0.081 1.713) 4.001 5.030 ( 2.156 1.605 3.425) 4.354 5.056 ( 0.029 -2.656 -3.363) 4.285 5.195 ( -1.368 4.540 -1.009) 4.848 5.317 ( 4.747 -3.334 -6.957) 9.059 5.429 ( 4.270 0.176 -0.089) 4.275 5.619 ( -0.319 -0.422 2.043) 2.110 5.708 ( 0.275 -5.774 -2.706) 6.383 5.896 ( 1.803 0.140 -0.266) 1.827 5.979 ( -0.846 -1.421 1.424) 2.182 6.059 ( -2.611 2.895 -1.472) 4.168 6.175 ( 2.450 4.034 7.225) 8.630 6.270 ( 1.089 -1.224 -7.283) 7.465 6.317 ( 2.721 -4.691 -8.665) 10.223 6.391 ( -4.524 -0.268 -4.004) 6.047 6.589 ( 2.898 -0.381 -2.499) 3.846 6.690 ( -0.991 -2.878 -4.822) 5.702 6.759 ( -1.980 -4.918 1.164) 5.428 6.869 ( -0.611 -1.778 2.299) 2.970 6.944 ( -3.204 2.227 0.828) 3.988 7.040 ( 1.876 1.305 -2.831) 3.638 7.183 ( -4.743 2.269 -4.525) 6.937 7.263 ( -1.389 -1.026 1.929) 2.589 7.369 ( -1.568 -1.739 -4.161) 4.774 7.417 ( -2.089 -2.262 -2.448) 3.934 7.587 ( -5.417 -0.983 -3.491) 6.519 7.619 ( 0.792 0.556 6.407) 6.480 7.667 ( 3.904 0.320 0.466) 3.945 7.738 ( -2.662 -0.341 3.967) 4.789 7.778 ( -1.397 1.977 -0.426) 2.458 7.852 ( -1.332 1.331 9.861) 10.039 8.038 ( 6.257 0.630 6.147) 8.794 8.131 ( 4.915 1.404 0.682) 5.157 8.224 ( 2.530 2.820 0.503) 3.822 8.339 ( 2.256 1.139 3.843) 4.599 8.521 ( -4.518 1.677 -2.604) 5.478 8.609 ( -1.958 -0.562 -0.896) 2.225 8.707 ( 1.493 0.113 -6.645) 6.812 8.789 ( 3.145 2.950 -7.502) 8.653 9.002 ( -1.253 -1.343 5.260) 5.572 9.118 ( -10.251 2.081 5.469) 11.804 9.320 ( -0.743 6.672 -0.281) 6.719 9.498 ( 8.681 -1.152 -3.277) 9.350 9.848 ( -0.983 -5.304 -1.656) 5.643 10.217 ( 3.395 0.778 -3.179) 4.716 10.270 ( 1.841 -4.766 -1.338) 5.281 10.446 ( -3.679 -9.959 4.456) 11.514 10.598 ( -1.351 -0.878 -5.759) 5.980 10.707 ( 1.457 -0.491 -4.784) 5.025 11.055 ( -4.143 14.966 9.101) 17.999 16.534 ( 1.143 -1.245 0.067) 1.691 16.660 ( -0.902 -0.149 0.026) 0.915 17.104 ( 0.530 0.429 -1.741) 1.870 17.201 ( -0.923 0.884 -2.466) 2.777 17.370 ( 2.124 -0.504 -6.326) 6.692 17.468 ( -0.734 -0.707 4.741) 4.850 17.596 ( 0.668 0.535 3.270) 3.380 17.630 ( -0.298 1.507 3.048) 3.414 17.741 ( 1.196 -0.551 1.222) 1.796 17.850 ( -2.116 1.271 2.252) 3.341 17.905 ( 0.726 1.671 0.857) 2.013 17.993 ( -1.379 2.901 1.956) 3.761 20.930 ( 0.011 -4.785 3.855) 6.145 21.088 ( -0.138 2.034 3.482) 4.035 21.615 ( -0.068 -1.102 -0.977) 1.474 21.706 ( -0.441 1.990 -1.609) 2.597 22.130 ( 1.547 0.071 0.151) 1.556 22.243 ( -1.161 0.182 0.742) 1.390 26.729 ( -0.055 -1.975 0.573) 2.057 26.815 ( -0.376 1.463 -0.142) 1.517 27.212 ( -0.666 -0.106 -1.809) 1.931 27.240 ( -1.057 0.461 -0.965) 1.504 27.418 ( 1.318 -0.605 -0.228) 1.468 27.497 ( -0.850 -0.629 0.093) 1.061 34.768 ( 3.042 0.130 -0.481) 3.083 34.802 ( 2.967 1.665 -0.872) 3.512 36.022 ( 1.338 2.049 -0.655) 2.534 36.287 ( -3.578 2.559 -2.843) 5.237 37.091 ( 6.937 -3.231 7.672) 10.836 37.735 ( -6.387 -6.222 4.921) 10.184 37.857 ( -3.146 -5.341 10.450) 12.150 38.107 ( 0.606 10.742 -2.859) 11.132 38.487 ( -0.280 -3.969 -6.268) 7.425 38.765 ( 0.552 5.936 -9.482) 11.201 39.564 ( 0.142 -11.657 -8.353) 14.342 39.998 ( -0.588 8.393 -6.077) 10.378 ======================= Grid point 112 (48/75) ======================= q-point: ( 0.40 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 24.719 3.332 -2.479) 25.065 2.311 ( -10.517 4.305 -7.800) 13.783 2.657 ( -4.127 -11.292 -3.092) 12.414 3.035 ( -5.590 -0.134 -7.815) 9.609 3.384 ( 2.916 -9.371 -1.926) 10.001 3.439 ( -1.304 -0.379 3.303) 3.571 3.635 ( 11.442 -10.075 -3.702) 15.688 3.773 ( 0.580 -7.123 1.794) 7.368 3.920 ( 0.441 -5.270 -1.467) 5.488 4.029 ( -1.208 -5.938 3.614) 7.055 4.222 ( 2.866 -2.794 0.628) 4.052 4.306 ( -2.265 -3.533 3.281) 5.328 4.480 ( 1.556 0.177 3.520) 3.853 4.548 ( -1.146 7.394 3.794) 8.389 4.627 ( 3.236 1.445 1.952) 4.046 4.758 ( -7.296 5.257 5.523) 10.554 4.830 ( -0.579 4.889 -3.812) 6.227 4.958 ( -3.456 4.937 -3.371) 6.905 5.124 ( 2.129 -3.283 -3.821) 5.469 5.253 ( 5.499 0.011 2.781) 6.163 5.401 ( 2.122 -0.307 -1.732) 2.756 5.500 ( 3.251 0.254 -1.422) 3.558 5.627 ( 1.111 -2.193 0.890) 2.615 5.695 ( -2.773 -1.128 -1.380) 3.297 5.916 ( 1.142 -1.621 0.274) 2.002 5.967 ( -2.785 -1.013 2.850) 4.112 6.019 ( 1.743 -1.516 -1.140) 2.576 6.147 ( -4.698 2.832 4.445) 7.060 6.283 ( -0.559 -0.747 -0.830) 1.249 6.315 ( 0.985 -3.698 -11.166) 11.804 6.421 ( 3.290 -6.650 -12.512) 14.546 6.621 ( 1.196 -0.428 -2.636) 2.926 6.669 ( -1.209 -1.350 4.342) 4.705 6.762 ( -0.268 -6.940 -2.531) 7.392 6.884 ( 2.785 2.789 -0.591) 3.985 6.915 ( 1.495 2.573 -3.944) 4.941 7.030 ( -2.630 4.479 -3.589) 6.313 7.094 ( -4.879 1.716 -0.758) 5.227 7.220 ( -1.611 -6.254 3.059) 7.146 7.343 ( -0.224 -1.781 -4.080) 4.458 7.377 ( -1.690 0.413 -3.967) 4.332 7.456 ( -5.413 -2.429 -4.385) 7.377 7.624 ( 0.067 -0.469 4.801) 4.824 7.710 ( 1.319 1.707 7.548) 7.850 7.731 ( -0.579 0.595 3.315) 3.417 7.786 ( 1.500 3.647 0.907) 4.047 7.903 ( 5.303 3.596 4.315) 7.725 8.027 ( -5.189 6.007 1.715) 8.121 8.241 ( 5.294 -1.320 0.330) 5.467 8.294 ( 3.525 -2.145 0.634) 4.175 8.385 ( 0.688 -0.551 2.886) 3.017 8.446 ( -2.067 0.785 -1.132) 2.484 8.594 ( 0.329 -0.879 5.473) 5.553 8.696 ( -2.818 -2.207 3.346) 4.899 8.843 ( 3.187 3.460 -8.173) 9.430 8.930 ( -5.897 4.891 1.181) 7.752 9.010 ( -0.621 -0.929 0.972) 1.482 9.303 ( -0.718 7.596 -0.907) 7.684 9.657 ( 7.312 -4.250 -5.179) 9.917 9.799 ( -4.054 -4.266 -5.218) 7.865 10.296 ( 3.931 -3.131 -2.248) 5.505 10.325 ( 3.640 -4.284 -4.080) 6.947 10.389 ( -1.403 -7.953 3.185) 8.681 10.488 ( -7.779 -3.039 -10.911) 13.740 10.798 ( 6.142 7.985 8.653) 13.280 10.952 ( -6.009 11.921 8.557) 15.857 16.558 ( 1.059 -1.905 -0.007) 2.180 16.639 ( -0.930 0.668 -0.071) 1.147 17.116 ( 0.490 -0.489 -1.398) 1.560 17.183 ( -0.677 1.459 -2.327) 2.829 17.414 ( 2.168 -1.218 -3.445) 4.249 17.450 ( -1.244 -1.236 2.130) 2.759 17.609 ( 0.696 1.350 3.032) 3.391 17.622 ( -0.589 1.309 3.071) 3.390 17.771 ( 1.837 0.176 1.962) 2.693 17.809 ( -2.132 0.728 2.380) 3.277 17.920 ( 0.860 2.186 0.270) 2.365 17.962 ( -1.522 2.770 1.016) 3.320 20.930 ( 0.008 -4.769 3.901) 6.162 21.085 ( -0.085 1.899 3.283) 3.794 21.614 ( -0.045 -1.348 -1.181) 1.793 21.699 ( -0.252 2.045 -1.658) 2.645 22.166 ( 2.055 0.024 0.414) 2.097 22.213 ( -1.833 0.388 0.611) 1.970 26.728 ( -0.031 -1.966 0.669) 2.077 26.808 ( -0.261 1.333 0.028) 1.358 27.205 ( 0.110 0.073 -1.633) 1.638 27.219 ( -1.029 0.269 -1.351) 1.720 27.446 ( 1.453 -0.679 -0.122) 1.608 27.476 ( -1.265 -0.521 0.005) 1.368 34.822 ( 1.909 0.617 -0.774) 2.151 34.854 ( 1.837 2.061 -0.967) 2.925 36.054 ( 1.655 -0.165 -0.307) 1.692 36.215 ( -2.995 4.887 -2.670) 6.323 37.272 ( 11.470 -5.090 9.207) 15.564 37.530 ( -12.892 -5.215 7.400) 15.753 37.841 ( 0.140 -3.772 6.603) 7.606 38.113 ( 0.099 10.963 -2.101) 11.163 38.481 ( -0.234 -6.227 -7.430) 9.697 38.773 ( 0.263 6.987 -9.544) 11.832 39.567 ( 0.076 -11.877 -6.047) 13.328 39.988 ( -0.355 7.971 -7.652) 11.056 ======================= Grid point 115 (49/75) ======================= q-point: ( 0.00 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.000 4.591 -0.549) 4.623 2.217 ( 0.000 -4.914 -13.024) 13.920 2.503 ( 0.000 -25.362 -15.731) 29.845 2.579 ( 0.000 -16.308 -4.246) 16.851 3.217 ( 0.000 -2.005 -4.189) 4.644 3.446 ( 0.000 -11.437 -0.432) 11.445 3.549 ( 0.000 4.322 -2.413) 4.950 3.647 ( 0.000 0.645 2.861) 2.933 4.035 ( 0.000 10.745 1.713) 10.880 4.046 ( 0.000 -15.779 -9.300) 18.315 4.065 ( 0.000 -4.378 -1.683) 4.690 4.198 ( 0.000 -11.526 -2.807) 11.863 4.490 ( 0.000 -6.629 0.893) 6.689 4.501 ( 0.000 -5.711 -6.265) 8.478 4.647 ( 0.000 -3.803 -2.561) 4.585 4.739 ( 0.000 -0.064 1.165) 1.166 4.941 ( 0.000 -2.810 -3.332) 4.359 4.973 ( 0.000 -4.010 -5.372) 6.704 5.010 ( 0.000 3.886 0.945) 3.999 5.060 ( 0.000 0.062 -1.631) 1.632 5.367 ( 0.000 3.637 3.602) 5.118 5.468 ( 0.000 4.593 8.025) 9.246 5.534 ( 0.000 -7.411 0.840) 7.458 5.678 ( 0.000 1.708 -1.158) 2.063 5.852 ( 0.000 -5.538 3.208) 6.400 5.916 ( 0.000 0.356 -10.192) 10.199 6.039 ( 0.000 1.178 -1.540) 1.939 6.066 ( 0.000 -3.938 -1.502) 4.215 6.206 ( 0.000 -1.010 -0.005) 1.010 6.345 ( 0.000 3.288 -0.916) 3.413 6.422 ( 0.000 4.456 0.446) 4.479 6.581 ( 0.000 5.040 -0.464) 5.061 6.638 ( 0.000 -0.425 -0.994) 1.081 6.781 ( 0.000 -1.458 -0.739) 1.634 6.881 ( 0.000 0.392 -3.682) 3.703 6.883 ( 0.000 -4.147 -0.007) 4.147 7.016 ( 0.000 0.308 -2.400) 2.420 7.214 ( 0.000 -0.907 -0.077) 0.911 7.223 ( 0.000 -3.772 0.384) 3.792 7.416 ( 0.000 -0.311 2.879) 2.896 7.436 ( 0.000 7.791 -3.444) 8.518 7.528 ( 0.000 5.813 -3.948) 7.027 7.573 ( 0.000 -1.102 -4.552) 4.683 7.709 ( 0.000 -2.754 -2.201) 3.525 7.768 ( 0.000 2.825 2.686) 3.898 7.837 ( 0.000 2.478 -3.973) 4.683 7.877 ( 0.000 -7.633 -8.900) 11.725 8.073 ( 0.000 -5.372 10.301) 11.617 8.119 ( 0.000 1.651 4.667) 4.951 8.302 ( 0.000 3.964 4.116) 5.714 8.361 ( 0.000 -2.965 3.015) 4.228 8.597 ( 0.000 2.004 4.781) 5.184 8.627 ( 0.000 -3.351 -1.219) 3.566 8.677 ( 0.000 6.644 2.199) 6.998 8.719 ( 0.000 -0.077 8.542) 8.542 9.094 ( 0.000 -1.821 5.607) 5.895 9.290 ( 0.000 1.534 0.328) 1.569 9.365 ( 0.000 0.036 7.360) 7.360 9.527 ( 0.000 6.626 0.410) 6.639 9.760 ( 0.000 -6.066 -3.120) 6.821 10.098 ( 0.000 -4.650 -6.008) 7.597 10.200 ( 0.000 0.796 -1.894) 2.055 10.311 ( 0.000 -8.704 -9.508) 12.890 10.479 ( 0.000 -4.987 -6.153) 7.920 10.682 ( 0.000 3.752 3.531) 5.152 11.362 ( 0.000 19.426 0.802) 19.442 16.510 ( 0.000 -1.398 -0.162) 1.408 16.656 ( 0.000 -1.493 -0.409) 1.548 17.085 ( 0.000 2.485 -1.703) 3.012 17.181 ( 0.000 1.017 -1.636) 1.926 17.220 ( 0.000 0.621 -6.975) 7.003 17.571 ( 0.000 -1.604 5.139) 5.383 17.632 ( 0.000 2.857 0.105) 2.859 17.728 ( 0.000 -0.387 6.583) 6.594 17.743 ( 0.000 0.166 1.774) 1.782 17.929 ( 0.000 0.308 4.217) 4.229 17.981 ( 0.000 5.457 3.481) 6.473 18.089 ( 0.000 3.561 3.032) 4.677 20.945 ( 0.000 -5.586 3.626) 6.660 21.159 ( 0.000 -0.590 3.814) 3.860 21.604 ( 0.000 0.705 -0.315) 0.772 21.699 ( 0.000 1.895 -2.151) 2.867 22.114 ( 0.000 0.033 0.020) 0.038 22.272 ( 0.000 0.455 0.886) 0.996 26.721 ( 0.000 -1.589 0.537) 1.677 26.818 ( 0.000 0.445 -0.908) 1.011 27.188 ( 0.000 -0.513 -1.525) 1.609 27.246 ( 0.000 1.185 -0.794) 1.426 27.385 ( 0.000 -1.131 -0.818) 1.396 27.494 ( 0.000 -0.912 -0.527) 1.053 34.730 ( 0.000 -0.050 -0.159) 0.167 34.778 ( 0.000 1.903 -0.088) 1.905 36.050 ( 0.000 5.892 0.624) 5.925 36.316 ( 0.000 2.678 -0.683) 2.764 37.115 ( 0.000 -3.320 6.848) 7.610 37.799 ( 0.000 -2.197 2.945) 3.674 38.007 ( 0.000 -12.584 9.378) 15.695 38.075 ( 0.000 6.839 -8.159) 10.646 38.438 ( 0.000 0.036 0.914) 0.915 38.658 ( 0.000 5.832 -8.456) 10.272 39.256 ( 0.000 -10.114 -12.487) 16.069 39.966 ( 0.000 6.925 -8.799) 11.197 ======================= Grid point 116 (50/75) ======================= q-point: ( 0.20 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 24.505 5.834 -0.479) 25.194 2.212 ( -0.210 -3.017 -12.267) 12.634 2.529 ( 0.081 -16.770 -5.617) 17.686 2.746 ( 16.586 -21.564 -10.857) 29.291 3.151 ( -8.181 -4.839 -5.001) 10.740 3.402 ( -4.090 -5.756 -3.589) 7.921 3.499 ( -2.005 -2.235 -2.488) 3.899 3.721 ( 4.385 -1.847 2.377) 5.318 3.875 ( -5.256 -8.079 -1.831) 9.810 4.047 ( -1.834 2.263 -4.076) 5.010 4.137 ( -1.171 -5.087 0.571) 5.251 4.254 ( 5.638 -8.311 -5.587) 11.492 4.511 ( 2.373 -7.259 -2.808) 8.137 4.543 ( 4.151 0.367 -4.661) 6.252 4.584 ( -2.316 -4.738 1.643) 5.524 4.825 ( 5.054 -0.677 0.584) 5.133 4.898 ( -2.159 -3.761 -0.908) 4.431 4.990 ( 1.931 2.199 0.937) 3.073 5.065 ( 2.397 0.797 -3.857) 4.611 5.125 ( 5.648 1.659 -0.986) 5.969 5.330 ( -1.812 2.877 5.225) 6.234 5.452 ( 0.677 -1.294 3.446) 3.743 5.589 ( 3.764 -1.691 -0.183) 4.130 5.692 ( 0.655 0.339 0.549) 0.920 5.817 ( -1.662 -8.395 -0.832) 8.598 5.931 ( -1.073 -1.278 -6.145) 6.367 6.014 ( 1.414 0.967 -3.199) 3.629 6.129 ( 2.154 -3.673 -2.503) 4.939 6.217 ( -1.476 1.179 -0.867) 2.078 6.307 ( -7.776 2.440 1.252) 8.245 6.341 ( -3.794 1.196 -3.202) 5.107 6.536 ( -2.136 -0.220 -0.018) 2.147 6.648 ( -2.240 -0.543 -1.548) 2.777 6.728 ( 4.794 0.640 -0.526) 4.865 6.857 ( -1.126 1.889 -0.816) 2.346 6.966 ( 0.490 -0.263 -0.862) 1.026 7.031 ( 0.328 1.999 -2.076) 2.900 7.130 ( -3.246 -2.352 -0.402) 4.029 7.259 ( -0.308 0.997 -0.516) 1.164 7.290 ( -5.062 0.160 -3.094) 5.935 7.397 ( -5.321 -0.514 -1.531) 5.561 7.538 ( -4.548 2.840 -0.686) 5.405 7.617 ( 3.286 1.447 -5.978) 6.973 7.673 ( -0.356 0.870 -1.883) 2.105 7.797 ( 1.210 0.528 0.614) 1.456 7.831 ( 1.089 1.979 1.786) 2.880 7.926 ( 3.793 -0.765 -1.040) 4.007 8.083 ( 4.096 -6.240 1.319) 7.580 8.221 ( 0.298 -0.969 3.012) 3.178 8.256 ( 1.334 0.312 9.090) 9.193 8.402 ( 2.621 1.244 -0.945) 3.051 8.563 ( -1.241 2.949 5.958) 6.763 8.599 ( -1.566 -1.010 -0.269) 1.883 8.717 ( 2.376 2.257 2.145) 3.917 8.753 ( 2.687 -1.387 7.637) 8.214 9.094 ( -0.529 -0.532 6.304) 6.348 9.194 ( -8.666 1.984 2.513) 9.238 9.377 ( -0.948 1.986 1.942) 2.935 9.493 ( 0.057 2.813 1.009) 2.989 9.749 ( -1.760 -6.026 -3.041) 6.976 10.126 ( 1.555 -4.143 -6.510) 7.872 10.187 ( 0.250 -2.254 -4.727) 5.243 10.307 ( -1.941 -5.234 -9.579) 11.087 10.403 ( -3.868 -7.036 -3.396) 8.717 10.827 ( 11.378 7.106 4.878) 14.274 11.323 ( -3.988 19.090 2.031) 19.608 16.520 ( 0.976 -1.599 -0.038) 1.874 16.649 ( -0.679 -1.134 -0.501) 1.413 17.089 ( 0.397 2.008 -1.530) 2.556 17.173 ( -0.739 1.082 -1.659) 2.114 17.254 ( 3.227 0.297 -6.405) 7.179 17.523 ( -3.777 -0.963 1.324) 4.117 17.658 ( 1.417 2.111 3.446) 4.282 17.729 ( 0.447 -0.523 6.744) 6.779 17.768 ( 2.244 0.987 1.630) 2.944 17.914 ( -1.547 1.171 4.214) 4.640 17.975 ( -0.527 4.512 3.030) 5.460 18.068 ( -2.015 3.300 2.880) 4.821 20.947 ( 0.176 -5.589 3.829) 6.777 21.149 ( -0.919 -1.080 3.091) 3.400 21.600 ( -0.423 0.602 -0.463) 0.870 21.692 ( -0.545 1.808 -2.219) 2.914 22.135 ( 1.972 0.280 0.319) 2.017 22.260 ( -1.150 0.531 0.867) 1.535 26.722 ( 0.115 -1.571 0.681) 1.716 26.815 ( -0.343 0.301 -0.855) 0.970 27.180 ( -0.569 -0.298 -1.636) 1.757 27.230 ( -1.478 0.893 -0.931) 1.962 27.401 ( 1.434 -1.052 -0.734) 1.924 27.485 ( -0.879 -0.903 -0.547) 1.374 34.773 ( 3.707 1.041 0.351) 3.866 34.811 ( 3.216 2.213 -0.201) 3.908 36.060 ( 1.005 5.180 0.997) 5.370 36.289 ( -2.556 3.813 -0.658) 4.638 37.181 ( 6.765 -3.844 6.905) 10.403 37.761 ( -5.066 -3.880 4.084) 7.576 37.967 ( -2.177 -7.968 8.790) 12.062 38.090 ( 0.704 4.085 -7.111) 8.231 38.411 ( -2.267 0.404 0.343) 2.328 38.654 ( -0.404 5.559 -9.997) 11.446 39.286 ( 2.761 -10.391 -10.545) 15.059 39.933 ( -3.084 5.971 -10.233) 12.243 ======================= Grid point 117 (51/75) ======================= q-point: ( 0.40 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 21.316 5.790 -1.816) 22.163 2.190 ( -3.555 0.991 -9.306) 10.011 2.539 ( 1.758 -9.973 0.619) 10.146 2.873 ( -11.310 -6.278 -6.648) 14.544 3.067 ( 7.460 -20.670 -13.184) 25.626 3.343 ( -2.220 -11.023 -9.911) 14.989 3.523 ( 5.280 -6.278 -0.407) 8.213 3.686 ( -6.655 -8.282 -1.600) 10.745 3.891 ( 3.794 -2.950 1.127) 4.936 3.982 ( -3.580 -4.573 1.562) 6.014 4.151 ( 1.522 -2.097 -4.732) 5.395 4.281 ( -0.906 -0.235 -2.126) 2.323 4.543 ( -0.437 -2.211 2.329) 3.241 4.600 ( 5.864 -7.586 -5.547) 11.077 4.689 ( 7.325 -1.459 2.785) 7.971 4.811 ( -4.341 2.010 -4.425) 6.516 4.901 ( -1.187 1.510 0.787) 2.076 4.968 ( -2.238 5.943 2.784) 6.934 5.133 ( 2.452 4.241 7.689) 9.117 5.229 ( 6.227 -1.345 -0.842) 6.426 5.380 ( 4.469 -1.581 -1.008) 4.846 5.475 ( 3.036 -2.187 0.068) 3.742 5.619 ( -2.589 -4.743 -1.173) 5.529 5.696 ( -2.972 0.841 1.572) 3.466 5.806 ( 1.757 -8.117 -6.422) 10.499 5.889 ( -3.456 -1.996 -6.715) 7.812 6.012 ( -6.510 -3.003 -0.837) 7.218 6.073 ( 4.057 -2.000 -3.808) 5.913 6.151 ( -0.305 -3.670 -0.829) 3.775 6.207 ( -5.383 0.696 -2.931) 6.168 6.341 ( 0.318 2.689 -0.474) 2.749 6.533 ( 0.607 -2.547 -7.011) 7.484 6.612 ( -1.109 -0.933 -0.778) 1.645 6.797 ( 0.076 1.382 2.851) 3.169 6.887 ( 3.407 3.028 1.554) 4.815 6.950 ( -2.309 1.358 2.267) 3.510 7.003 ( 3.967 5.413 -4.695) 8.191 7.120 ( -2.566 3.068 -3.030) 5.018 7.188 ( -3.902 -1.512 -1.294) 4.380 7.255 ( -0.715 -1.875 1.104) 2.290 7.346 ( 0.186 -1.058 -3.686) 3.839 7.408 ( -6.062 0.115 0.196) 6.066 7.640 ( 0.033 1.601 -2.118) 2.655 7.684 ( -0.009 0.429 -4.239) 4.260 7.818 ( 1.807 1.460 -0.091) 2.325 7.865 ( 0.745 1.741 0.732) 2.030 7.993 ( 2.191 0.767 6.114) 6.540 8.121 ( -1.300 -1.405 1.142) 2.229 8.195 ( 1.740 -4.875 -2.417) 5.713 8.323 ( 1.435 -2.967 10.576) 11.077 8.424 ( 0.865 6.038 -1.190) 6.214 8.547 ( -0.620 3.130 5.719) 6.549 8.621 ( 1.822 -1.658 -3.311) 4.127 8.741 ( 0.441 -1.835 6.693) 6.954 8.826 ( 5.924 -1.912 4.929) 7.940 8.989 ( -10.393 -0.170 2.136) 10.612 9.086 ( -0.955 5.410 7.412) 9.226 9.352 ( -0.856 3.659 0.548) 3.797 9.561 ( 5.982 -1.850 -1.553) 6.451 9.680 ( -5.510 -5.056 -2.721) 7.958 10.143 ( 0.783 -3.959 -9.095) 9.951 10.207 ( -0.109 -7.912 -6.558) 10.278 10.261 ( -0.558 -1.774 -7.901) 8.117 10.356 ( -1.799 -7.443 -1.582) 7.819 11.043 ( 10.595 12.821 6.185) 17.745 11.215 ( -7.372 17.324 4.852) 19.442 16.539 ( 0.768 -2.152 0.237) 2.297 16.635 ( -0.600 -0.316 -0.721) 0.990 17.098 ( 0.420 1.114 -0.997) 1.553 17.159 ( -0.594 1.428 -2.005) 2.532 17.327 ( 3.794 -0.851 -4.628) 6.044 17.447 ( -3.704 -0.372 -2.146) 4.297 17.675 ( 0.442 0.942 5.279) 5.380 17.739 ( 0.324 0.687 6.838) 6.880 17.820 ( 2.989 1.958 2.122) 4.156 17.874 ( -2.547 2.231 3.429) 4.819 17.969 ( 0.033 3.095 2.276) 3.842 18.028 ( -1.674 2.961 2.968) 4.514 20.950 ( 0.127 -5.592 4.226) 7.010 21.133 ( -0.577 -1.832 1.871) 2.682 21.592 ( -0.256 0.481 -0.667) 0.861 21.684 ( -0.248 1.765 -2.225) 2.851 22.178 ( 2.208 0.430 0.755) 2.373 22.231 ( -1.775 0.780 0.778) 2.089 26.724 ( 0.056 -1.529 0.891) 1.771 26.809 ( -0.211 0.106 -0.740) 0.776 27.178 ( 0.515 0.113 -1.591) 1.676 27.199 ( -1.571 0.484 -1.278) 2.082 27.430 ( 1.444 -1.082 -0.614) 1.906 27.464 ( -1.240 -0.826 -0.619) 1.613 34.834 ( 2.005 2.094 0.565) 2.954 34.871 ( 2.137 3.085 -0.041) 3.753 36.083 ( 1.027 3.132 2.002) 3.856 36.239 ( -1.945 6.573 -0.994) 6.926 37.358 ( 11.214 -4.616 6.241) 13.638 37.594 ( -11.418 -6.091 7.758) 15.089 37.956 ( 0.332 -4.538 10.013) 10.998 38.093 ( -0.177 2.926 -9.129) 9.589 38.377 ( -1.024 0.979 0.020) 1.417 38.646 ( -0.330 5.375 -12.143) 13.283 39.335 ( 1.764 -10.958 -7.355) 13.315 39.877 ( -2.053 4.652 -12.949) 13.912 ======================= Grid point 120 (52/75) ======================= q-point: ( 0.00 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.000 2.489 -0.500) 2.538 1.894 ( 0.000 -21.072 -9.326) 23.044 1.993 ( 0.000 -29.760 -11.154) 31.781 2.415 ( 0.000 -9.816 0.558) 9.832 3.153 ( 0.000 1.881 -2.954) 3.502 3.221 ( 0.000 -21.923 -23.714) 32.295 3.346 ( 0.000 -24.021 -7.269) 25.097 3.608 ( 0.000 -5.375 -3.128) 6.219 3.635 ( 0.000 -4.986 -0.844) 5.057 3.998 ( 0.000 -13.488 -4.473) 14.211 4.021 ( 0.000 0.904 -0.371) 0.977 4.156 ( 0.000 0.989 3.103) 3.256 4.401 ( 0.000 -11.634 -1.639) 11.749 4.447 ( 0.000 -12.573 4.716) 13.428 4.655 ( 0.000 1.804 4.432) 4.785 4.728 ( 0.000 -1.373 -7.327) 7.455 4.792 ( 0.000 -4.725 -0.068) 4.725 4.885 ( 0.000 -1.344 -1.380) 1.927 5.023 ( 0.000 5.794 -5.531) 8.010 5.121 ( 0.000 8.209 2.976) 8.732 5.409 ( 0.000 4.021 -0.847) 4.109 5.620 ( 0.000 -1.836 8.786) 8.976 5.633 ( 0.000 -0.321 1.032) 1.081 5.697 ( 0.000 4.355 5.037) 6.658 5.769 ( 0.000 2.234 -4.914) 5.398 5.886 ( 0.000 1.811 2.538) 3.117 6.015 ( 0.000 -6.951 1.428) 7.096 6.063 ( 0.000 3.351 -1.714) 3.764 6.228 ( 0.000 0.494 4.388) 4.416 6.257 ( 0.000 0.452 -6.285) 6.301 6.512 ( 0.000 2.284 2.535) 3.412 6.567 ( 0.000 -1.762 -1.025) 2.039 6.662 ( 0.000 1.315 0.383) 1.370 6.762 ( 0.000 1.853 -1.856) 2.623 6.868 ( 0.000 -1.746 2.029) 2.677 6.883 ( 0.000 3.419 -1.668) 3.804 6.964 ( 0.000 -0.521 -2.312) 2.370 7.206 ( 0.000 1.119 -0.985) 1.491 7.212 ( 0.000 -2.972 4.113) 5.074 7.376 ( 0.000 -4.138 -6.239) 7.486 7.397 ( 0.000 0.961 -2.518) 2.695 7.455 ( 0.000 -0.062 -7.352) 7.352 7.618 ( 0.000 4.224 -5.540) 6.966 7.620 ( 0.000 5.647 2.201) 6.061 7.698 ( 0.000 -3.300 -3.175) 4.579 7.766 ( 0.000 3.938 -1.638) 4.265 7.872 ( 0.000 0.405 2.065) 2.104 8.093 ( 0.000 -7.285 -2.797) 7.804 8.182 ( 0.000 3.609 -0.583) 3.656 8.357 ( 0.000 -5.794 2.130) 6.173 8.420 ( 0.000 0.126 7.401) 7.402 8.597 ( 0.000 -2.926 2.015) 3.552 8.744 ( 0.000 -0.767 13.953) 13.974 8.849 ( 0.000 0.519 8.065) 8.082 8.887 ( 0.000 -3.170 12.081) 12.490 9.166 ( 0.000 0.133 3.541) 3.544 9.317 ( 0.000 0.828 -0.796) 1.149 9.463 ( 0.000 2.833 -4.831) 5.600 9.583 ( 0.000 2.510 8.019) 8.402 9.639 ( 0.000 -5.094 -3.923) 6.430 9.909 ( 0.000 -5.068 -8.426) 9.832 10.114 ( 0.000 -4.437 -6.016) 7.475 10.199 ( 0.000 2.322 -0.451) 2.365 10.353 ( 0.000 -0.870 -4.659) 4.739 10.750 ( 0.000 1.830 1.382) 2.293 11.477 ( 0.000 19.076 -9.202) 21.179 16.491 ( 0.000 -1.606 -0.306) 1.634 16.628 ( 0.000 -2.490 -0.466) 2.533 17.083 ( 0.000 2.718 -1.525) 3.117 17.135 ( 0.000 1.466 -3.922) 4.187 17.179 ( 0.000 2.010 -0.413) 2.052 17.595 ( 0.000 -3.642 1.114) 3.808 17.650 ( 0.000 3.708 -1.348) 3.946 17.804 ( 0.000 2.251 3.107) 3.836 17.831 ( 0.000 -1.168 5.648) 5.767 18.028 ( 0.000 2.690 4.899) 5.590 18.091 ( 0.000 5.905 2.466) 6.399 18.164 ( 0.000 3.552 1.314) 3.788 20.940 ( 0.000 -6.126 2.210) 6.512 21.217 ( 0.000 -1.778 4.550) 4.885 21.615 ( 0.000 1.730 -0.034) 1.731 21.675 ( 0.000 1.683 -2.558) 3.063 22.115 ( 0.000 0.046 0.017) 0.049 22.292 ( 0.000 0.901 0.632) 1.101 26.717 ( 0.000 -1.372 0.662) 1.523 26.800 ( 0.000 -0.309 -1.139) 1.180 27.160 ( 0.000 -0.843 -0.905) 1.237 27.248 ( 0.000 1.595 -0.495) 1.670 27.359 ( 0.000 -1.407 -0.657) 1.553 27.474 ( 0.000 -0.992 -0.538) 1.129 34.725 ( 0.000 -0.233 -0.231) 0.328 34.799 ( 0.000 1.963 0.203) 1.973 36.133 ( 0.000 7.211 1.017) 7.283 36.348 ( 0.000 5.049 0.064) 5.049 37.206 ( 0.000 -1.556 6.877) 7.051 37.767 ( 0.000 2.148 -7.388) 7.694 38.033 ( 0.000 -1.587 1.576) 2.236 38.034 ( 0.000 -8.884 6.992) 11.305 38.467 ( 0.000 -0.917 0.688) 1.147 38.561 ( 0.000 0.545 -7.030) 7.051 38.989 ( 0.000 -7.997 -6.388) 10.235 39.834 ( 0.000 4.370 -12.396) 13.143 ======================= Grid point 121 (53/75) ======================= q-point: ( 0.20 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 25.409 5.872 -0.810) 26.091 1.934 ( 5.040 -16.617 -8.275) 19.235 2.202 ( 15.291 -23.396 -8.969) 29.354 2.457 ( 4.886 -13.591 -1.523) 14.523 3.019 ( -10.601 -6.011 -5.431) 13.342 3.243 ( -5.391 -9.278 -8.427) 13.644 3.373 ( -1.225 -12.740 -4.956) 13.725 3.520 ( 8.212 -21.249 -15.151) 27.359 3.690 ( -2.055 -8.871 -0.991) 9.160 3.933 ( 0.839 -5.675 -2.920) 6.437 4.081 ( 0.837 3.278 1.461) 3.685 4.183 ( 0.454 -5.730 1.882) 6.048 4.346 ( -2.446 -8.896 -1.147) 9.298 4.487 ( 2.661 -6.978 -1.205) 7.564 4.664 ( -1.512 -1.015 1.411) 2.304 4.726 ( 0.765 -7.086 -1.123) 7.215 4.877 ( 8.002 -0.056 0.455) 8.015 4.982 ( 7.773 -4.589 -2.860) 9.469 5.052 ( 4.361 5.396 -1.849) 7.180 5.166 ( 4.667 7.527 1.484) 8.980 5.332 ( -6.813 2.766 -3.553) 8.167 5.573 ( -3.968 -2.536 2.421) 5.295 5.661 ( 0.847 0.503 5.609) 5.695 5.684 ( -0.270 4.537 5.143) 6.863 5.785 ( -0.023 1.279 -0.002) 1.279 5.886 ( 0.580 1.387 0.342) 1.541 5.992 ( -1.310 -4.251 1.466) 4.684 6.069 ( -1.781 1.455 -3.144) 3.895 6.182 ( -3.130 1.040 -4.325) 5.439 6.303 ( 2.934 -1.009 2.035) 3.711 6.387 ( -12.176 1.829 2.878) 12.645 6.543 ( -6.481 0.216 0.950) 6.553 6.634 ( -0.918 -0.965 -0.882) 1.597 6.724 ( 5.332 1.741 -1.225) 5.741 6.825 ( 1.012 0.664 -4.145) 4.318 6.957 ( 1.190 -1.408 -2.652) 3.230 7.039 ( 3.183 2.186 1.824) 4.270 7.126 ( -6.973 1.348 2.350) 7.481 7.217 ( -0.021 2.602 -4.376) 5.091 7.287 ( -4.307 -0.848 0.365) 4.404 7.365 ( -1.969 -2.146 1.343) 3.207 7.507 ( 1.961 -0.100 -5.660) 5.991 7.574 ( -4.507 3.069 -1.501) 5.656 7.642 ( 3.864 2.994 -3.235) 5.862 7.739 ( 1.402 -0.879 -3.916) 4.251 7.843 ( -1.639 0.622 -0.859) 1.953 7.906 ( 9.925 -1.190 0.414) 10.005 8.031 ( -2.564 -3.923 -2.416) 5.273 8.241 ( 2.046 2.693 -4.932) 5.980 8.336 ( -0.693 -3.896 3.472) 5.264 8.468 ( 4.267 -0.811 9.401) 10.356 8.567 ( -1.996 -1.250 0.034) 2.356 8.749 ( 0.255 -1.886 14.894) 15.015 8.815 ( -2.276 -0.661 7.458) 7.825 8.926 ( 2.414 -2.910 11.319) 11.933 9.163 ( -4.073 -0.287 0.315) 4.096 9.244 ( -2.404 1.242 0.748) 2.808 9.420 ( -3.546 1.255 -0.402) 3.783 9.571 ( -0.615 -0.561 4.919) 4.989 9.654 ( 0.122 -1.557 -0.709) 1.715 9.926 ( 0.656 -5.197 -9.147) 10.541 10.048 ( -2.586 -2.347 -8.363) 9.063 10.157 ( -6.184 0.093 -5.193) 8.076 10.292 ( -2.665 -5.331 -2.686) 6.537 10.957 ( 16.177 6.809 2.124) 17.679 11.482 ( -0.197 20.170 -5.408) 20.884 16.504 ( 1.242 -1.744 0.081) 2.142 16.622 ( -0.674 -2.219 -0.731) 2.432 17.087 ( 0.536 2.300 -1.139) 2.622 17.168 ( -0.205 1.811 -1.335) 2.260 17.172 ( 2.774 1.299 -2.978) 4.272 17.503 ( -6.136 -1.308 -1.453) 6.440 17.732 ( 4.777 1.872 1.780) 5.430 17.810 ( 1.020 1.479 2.783) 3.312 17.837 ( 0.431 -0.303 4.844) 4.872 18.016 ( -1.502 3.066 4.743) 5.844 18.073 ( -1.530 5.331 2.318) 6.011 18.140 ( -2.150 3.252 1.400) 4.142 20.947 ( 0.742 -6.229 2.627) 6.801 21.175 ( -3.851 -3.503 2.576) 5.809 21.609 ( -0.453 1.714 0.135) 1.778 21.667 ( -0.550 1.543 -2.432) 2.932 22.147 ( 2.785 0.790 0.441) 2.928 22.281 ( -1.093 0.986 0.619) 1.597 26.722 ( 0.455 -1.311 0.899) 1.654 26.795 ( -0.467 -0.497 -1.186) 1.368 27.152 ( -0.468 -0.599 -1.035) 1.285 27.227 ( -1.931 1.209 -0.596) 2.355 27.378 ( 1.613 -1.215 -0.562) 2.096 27.465 ( -0.906 -1.001 -0.546) 1.456 34.799 ( 5.858 2.328 0.829) 6.358 34.834 ( 3.533 2.437 -0.014) 4.292 36.149 ( 1.666 7.569 1.841) 7.966 36.334 ( -1.358 6.544 0.024) 6.683 37.267 ( 6.202 -1.853 6.773) 9.369 37.759 ( -1.714 1.916 -5.343) 5.929 37.961 ( -3.122 -6.657 3.732) 8.245 38.089 ( 1.702 -4.692 6.115) 7.893 38.433 ( -2.738 0.234 -1.440) 3.102 38.530 ( -2.678 1.567 -7.798) 8.392 39.046 ( 5.074 -9.184 -4.761) 11.522 39.756 ( -7.240 1.559 -14.198) 16.013 ======================= Grid point 122 (54/75) ======================= q-point: ( 0.40 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 15.379 2.478 -2.771) 15.822 2.040 ( 4.177 -3.840 -5.129) 7.648 2.426 ( 11.071 -13.716 -2.161) 17.758 2.593 ( 6.488 -20.857 -11.623) 24.743 2.760 ( -16.024 -7.809 -3.097) 18.093 3.027 ( -9.913 -10.368 -9.577) 17.248 3.439 ( 5.905 -9.950 0.266) 11.573 3.577 ( -6.443 -11.254 -0.609) 12.982 3.823 ( 13.148 -10.519 -6.106) 17.911 3.970 ( -0.485 -7.698 0.425) 7.725 4.080 ( 3.629 -0.467 1.339) 3.896 4.204 ( 0.057 -4.844 -5.178) 7.091 4.361 ( 6.554 -5.016 -3.557) 8.987 4.506 ( -2.080 -3.973 -5.555) 7.139 4.618 ( -2.904 -13.007 -1.054) 13.369 4.741 ( 0.554 -7.725 -1.218) 7.840 4.867 ( -8.012 3.249 -1.569) 8.787 5.089 ( 0.940 1.686 -0.563) 2.011 5.195 ( 1.019 1.738 -1.984) 2.827 5.269 ( 11.890 -2.478 1.115) 12.197 5.329 ( 7.841 3.223 -0.734) 8.510 5.486 ( -5.345 3.362 5.565) 8.417 5.600 ( -5.690 -1.764 0.017) 5.957 5.703 ( 1.602 3.425 2.167) 4.358 5.785 ( 1.056 1.891 4.201) 4.727 5.874 ( -5.707 0.777 3.501) 6.740 5.976 ( 1.002 -4.347 0.991) 4.570 6.007 ( -0.462 -1.013 -1.898) 2.201 6.119 ( -1.943 3.296 -7.364) 8.299 6.186 ( -8.315 0.422 0.962) 8.381 6.355 ( 2.416 1.068 0.884) 2.786 6.442 ( -4.034 -0.811 -0.944) 4.221 6.607 ( -0.587 -2.333 0.959) 2.590 6.838 ( 0.824 2.567 -2.687) 3.806 6.900 ( 8.572 0.579 -3.861) 9.419 6.962 ( -1.388 3.160 2.194) 4.089 7.029 ( 0.560 0.370 -3.748) 3.808 7.073 ( -1.279 4.082 1.307) 4.473 7.194 ( -1.723 2.795 0.370) 3.304 7.253 ( 1.302 -4.493 -0.024) 4.678 7.315 ( -4.791 1.359 2.624) 5.629 7.421 ( -4.747 1.740 0.269) 5.063 7.602 ( 3.340 1.154 -3.368) 4.882 7.666 ( -1.770 0.363 0.411) 1.853 7.749 ( 0.500 -1.822 -5.681) 5.987 7.820 ( -0.649 -1.131 -4.776) 4.951 8.013 ( 0.861 -5.765 -1.623) 6.051 8.078 ( 6.196 -1.138 -0.260) 6.305 8.230 ( -2.248 3.015 2.547) 4.542 8.332 ( -0.431 1.540 -6.864) 7.048 8.520 ( 1.003 0.316 7.474) 7.548 8.596 ( 4.047 0.042 2.168) 4.591 8.731 ( -3.145 1.491 11.354) 11.876 8.784 ( 0.338 -5.933 6.681) 8.942 8.960 ( 1.202 -4.182 9.026) 10.020 9.029 ( -5.748 -1.265 4.070) 7.155 9.268 ( 1.491 3.399 5.373) 6.530 9.370 ( -1.199 -2.307 0.328) 2.621 9.563 ( 0.126 -2.904 1.085) 3.102 9.629 ( -2.106 2.090 0.682) 3.045 9.935 ( 1.615 -3.614 -9.799) 10.568 10.003 ( -4.294 -4.286 -7.638) 9.754 10.112 ( 3.067 -2.477 -7.390) 8.375 10.222 ( -4.604 -6.580 -5.658) 9.823 11.245 ( 12.726 13.240 2.744) 18.568 11.435 ( -5.334 19.051 0.013) 19.784 16.528 ( 1.022 -2.262 1.071) 2.703 16.606 ( -0.704 -1.576 -1.560) 2.326 17.103 ( 0.891 1.928 -0.254) 2.139 17.146 ( -1.111 1.692 -1.117) 2.312 17.256 ( 4.845 -0.031 -2.810) 5.601 17.387 ( -5.605 -0.528 -3.485) 6.621 17.786 ( 0.953 1.295 5.441) 5.674 17.841 ( 0.152 0.200 3.823) 3.832 17.869 ( 4.714 2.658 0.976) 5.499 17.960 ( -4.290 3.581 2.680) 6.198 18.052 ( -0.501 3.773 3.350) 5.070 18.104 ( -1.165 3.411 1.857) 4.054 20.964 ( 0.838 -6.438 4.053) 7.654 21.106 ( -2.488 -5.408 -0.805) 6.007 21.603 ( -0.182 1.789 0.524) 1.873 21.660 ( -0.198 1.555 -2.311) 2.793 22.201 ( 2.554 1.219 0.921) 2.976 22.252 ( -1.799 1.266 0.503) 2.257 26.731 ( 0.284 -1.132 1.348) 1.783 26.787 ( -0.267 -0.771 -1.320) 1.551 27.155 ( 0.972 0.068 -1.033) 1.420 27.186 ( -2.118 0.688 -0.811) 2.370 27.409 ( 1.577 -1.150 -0.411) 1.994 27.443 ( -1.345 -1.007 -0.639) 1.798 34.878 ( 2.428 3.399 1.275) 4.368 34.908 ( 2.483 4.158 0.064) 4.844 36.185 ( 1.585 7.643 3.833) 8.696 36.305 ( -1.287 9.611 -0.705) 9.722 37.417 ( 8.105 -1.839 5.323) 9.870 37.672 ( -6.476 -0.926 2.804) 7.117 37.942 ( 0.538 -4.959 -0.469) 5.010 38.091 ( -0.942 -5.552 8.511) 10.206 38.407 ( 0.310 2.242 -2.425) 3.317 38.476 ( -2.503 2.595 -10.616) 11.211 39.140 ( 3.695 -11.013 -1.138) 11.672 39.621 ( -5.164 -1.864 -18.394) 19.196 ======================= Grid point 125 (55/75) ======================= q-point: ( 0.00 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.000 -6.808 0.000) 6.808 1.538 ( 0.000 -32.996 0.000) 32.996 1.606 ( 0.000 -26.776 0.000) 26.776 2.398 ( 0.000 -4.661 0.000) 4.661 2.466 ( 0.000 -50.722 0.000) 50.722 3.153 ( 0.000 3.150 -0.000) 3.150 3.185 ( 0.000 -9.352 0.000) 9.352 3.564 ( 0.000 -2.960 0.000) 2.960 3.572 ( 0.000 -4.796 0.000) 4.796 3.820 ( 0.000 -14.210 0.000) 14.210 3.973 ( 0.000 -13.709 0.000) 13.709 4.150 ( 0.000 -3.310 0.000) 3.310 4.306 ( 0.000 -0.736 0.000) 0.736 4.330 ( 0.000 -17.186 0.000) 17.186 4.620 ( 0.000 -4.667 0.000) 4.667 4.700 ( 0.000 -8.815 0.000) 8.815 4.797 ( 0.000 1.377 -0.000) 1.377 4.904 ( 0.000 6.479 -0.000) 6.479 5.052 ( 0.000 15.495 -0.000) 15.495 5.248 ( 0.000 11.705 -0.000) 11.705 5.459 ( 0.000 4.730 -0.000) 4.730 5.612 ( 0.000 -3.056 0.000) 3.056 5.664 ( 0.000 3.850 -0.000) 3.850 5.749 ( 0.000 0.107 -0.000) 0.107 5.799 ( 0.000 -3.259 0.000) 3.259 5.955 ( 0.000 -0.288 0.000) 0.288 5.998 ( 0.000 0.865 -0.000) 0.865 6.029 ( 0.000 3.479 -0.000) 3.479 6.220 ( 0.000 0.976 -0.000) 0.976 6.310 ( 0.000 2.004 -0.000) 2.004 6.548 ( 0.000 1.342 -0.000) 1.342 6.558 ( 0.000 0.799 -0.000) 0.799 6.650 ( 0.000 -4.307 0.000) 4.307 6.698 ( 0.000 -3.349 0.000) 3.349 6.888 ( 0.000 -0.407 0.000) 0.407 6.904 ( 0.000 5.008 -0.000) 5.008 6.929 ( 0.000 -1.225 0.000) 1.225 7.225 ( 0.000 3.484 -0.000) 3.484 7.254 ( 0.000 -8.504 0.000) 8.504 7.317 ( 0.000 -2.414 0.000) 2.414 7.339 ( 0.000 1.181 -0.000) 1.181 7.383 ( 0.000 1.423 -0.000) 1.423 7.584 ( 0.000 0.569 -0.000) 0.569 7.659 ( 0.000 1.603 -0.000) 1.603 7.676 ( 0.000 4.011 -0.000) 4.011 7.813 ( 0.000 3.783 -0.000) 3.783 7.878 ( 0.000 -0.592 0.000) 0.592 7.966 ( 0.000 -6.776 0.000) 6.776 8.189 ( 0.000 1.527 -0.000) 1.527 8.349 ( 0.000 0.096 -0.000) 0.096 8.500 ( 0.000 -1.087 0.000) 1.087 8.604 ( 0.000 -1.518 0.000) 1.518 8.878 ( 0.000 -0.070 0.000) 0.070 8.960 ( 0.000 -1.531 0.000) 1.531 9.021 ( 0.000 -3.844 0.000) 3.844 9.215 ( 0.000 2.809 -0.000) 2.809 9.218 ( 0.000 -7.192 0.000) 7.192 9.396 ( 0.000 2.652 -0.000) 2.652 9.560 ( 0.000 -4.433 0.000) 4.433 9.730 ( 0.000 3.805 -0.000) 3.805 9.800 ( 0.000 -0.579 0.000) 0.579 10.012 ( 0.000 -3.405 0.000) 3.405 10.220 ( 0.000 2.486 -0.000) 2.486 10.318 ( 0.000 1.341 -0.000) 1.341 10.771 ( 0.000 0.459 -0.000) 0.459 11.494 ( 0.000 12.343 -0.000) 12.343 16.472 ( 0.000 -1.485 0.000) 1.485 16.597 ( 0.000 -2.963 0.000) 2.963 17.090 ( 0.000 1.944 -0.000) 1.944 17.118 ( 0.000 1.973 -0.000) 1.973 17.200 ( 0.000 2.721 -0.000) 2.721 17.564 ( 0.000 -3.807 0.000) 3.807 17.672 ( 0.000 3.764 -0.000) 3.764 17.859 ( 0.000 2.611 -0.000) 2.611 17.873 ( 0.000 -1.268 0.000) 1.268 18.115 ( 0.000 4.281 -0.000) 4.281 18.169 ( 0.000 5.427 -0.000) 5.427 18.202 ( 0.000 2.970 -0.000) 2.970 20.900 ( 0.000 -5.844 0.000) 5.844 21.261 ( 0.000 -0.652 0.000) 0.652 21.630 ( 0.000 1.594 -0.000) 1.594 21.659 ( 0.000 1.068 -0.000) 1.068 22.116 ( 0.000 0.048 -0.000) 0.048 22.308 ( 0.000 1.158 -0.000) 1.158 26.711 ( 0.000 -1.481 0.000) 1.481 26.784 ( 0.000 -0.402 0.000) 0.402 27.143 ( 0.000 -0.988 0.000) 0.988 27.260 ( 0.000 1.714 -0.000) 1.714 27.339 ( 0.000 -1.404 0.000) 1.404 27.460 ( 0.000 -0.925 0.000) 0.925 34.720 ( 0.000 -0.311 0.000) 0.311 34.819 ( 0.000 1.671 -0.000) 1.671 36.200 ( 0.000 3.801 -0.000) 3.801 36.422 ( 0.000 10.729 -0.000) 10.729 37.300 ( 0.000 2.025 -0.000) 2.025 37.675 ( 0.000 1.118 -0.000) 1.118 38.036 ( 0.000 -3.820 0.000) 3.820 38.060 ( 0.000 -3.899 0.000) 3.899 38.422 ( 0.000 -4.842 0.000) 4.842 38.450 ( 0.000 -5.537 0.000) 5.537 38.898 ( 0.000 -4.958 0.000) 4.958 39.709 ( 0.000 0.561 -0.000) 0.561 ======================= Grid point 126 (56/75) ======================= q-point: ( 0.20 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 23.295 -7.899 0.000) 24.598 1.650 ( 12.685 -26.085 0.000) 29.006 1.916 ( 24.005 -12.463 0.000) 27.048 2.364 ( -3.390 -6.043 0.000) 6.929 2.738 ( 26.505 -40.918 0.000) 48.753 2.904 ( -15.047 -12.678 0.000) 19.676 3.278 ( -9.393 0.525 -0.000) 9.408 3.330 ( -2.827 -6.503 0.000) 7.091 3.577 ( -5.755 -10.568 0.000) 12.033 3.867 ( 7.510 -5.068 0.000) 9.060 4.066 ( -0.381 -15.688 0.000) 15.692 4.165 ( 4.835 1.190 -0.000) 4.979 4.270 ( -3.935 -4.338 0.000) 5.857 4.386 ( 4.556 -7.769 0.000) 9.006 4.545 ( -7.143 -8.610 0.000) 11.187 4.751 ( 1.917 -6.207 0.000) 6.496 4.860 ( 10.080 -5.211 0.000) 11.347 4.945 ( 2.380 7.187 -0.000) 7.571 5.109 ( 6.010 11.254 -0.000) 12.759 5.266 ( 0.327 9.187 -0.000) 9.193 5.342 ( -8.924 4.156 -0.000) 9.844 5.561 ( -0.551 3.223 -0.000) 3.270 5.717 ( -3.714 -2.522 0.000) 4.490 5.772 ( 4.281 2.734 -0.000) 5.079 5.818 ( 2.352 -1.745 0.000) 2.928 5.910 ( -2.597 -0.421 0.000) 2.631 5.985 ( -1.317 0.238 -0.000) 1.339 6.052 ( 1.083 3.733 -0.000) 3.887 6.149 ( -6.172 1.120 -0.000) 6.273 6.343 ( -0.458 0.724 -0.000) 0.856 6.421 ( -8.935 -0.295 0.000) 8.940 6.566 ( -3.452 -3.235 0.000) 4.731 6.620 ( -2.618 2.026 -0.000) 3.310 6.664 ( -3.885 -2.200 0.000) 4.464 6.809 ( 7.487 2.709 -0.000) 7.962 6.919 ( 1.842 -1.049 0.000) 2.120 7.050 ( 2.737 0.593 -0.000) 2.800 7.195 ( -6.689 0.741 -0.000) 6.729 7.223 ( -0.049 2.820 -0.000) 2.820 7.296 ( -2.665 -0.961 0.000) 2.833 7.368 ( 1.694 -2.023 0.000) 2.639 7.414 ( 5.314 -1.683 0.000) 5.574 7.567 ( -3.848 2.229 -0.000) 4.447 7.646 ( 0.490 4.112 -0.000) 4.141 7.710 ( 2.733 -1.083 0.000) 2.940 7.791 ( -4.344 -5.061 0.000) 6.669 7.909 ( 1.977 -2.783 0.000) 3.414 7.984 ( 4.784 3.467 -0.000) 5.908 8.176 ( -1.295 -1.096 0.000) 1.696 8.380 ( 2.943 2.384 -0.000) 3.788 8.524 ( 0.695 -1.311 0.000) 1.484 8.596 ( 0.633 -0.147 0.000) 0.650 8.874 ( -1.084 -0.513 0.000) 1.200 8.979 ( 1.322 -1.491 0.000) 1.993 9.025 ( 0.374 -4.216 0.000) 4.232 9.060 ( -10.861 -3.808 0.000) 11.510 9.249 ( 1.986 0.096 -0.000) 1.989 9.389 ( -1.849 -2.535 0.000) 3.137 9.563 ( -0.281 -0.801 0.000) 0.848 9.739 ( 0.572 1.477 -0.000) 1.584 9.801 ( -2.260 -0.480 0.000) 2.310 9.917 ( -4.264 -2.708 0.000) 5.052 10.118 ( -8.431 0.487 -0.000) 8.445 10.209 ( -6.567 -5.544 0.000) 8.594 11.034 ( 20.181 5.515 -0.000) 20.921 11.591 ( 5.962 18.218 -0.000) 19.169 16.489 ( 1.612 -1.565 0.000) 2.247 16.588 ( -0.943 -2.906 0.000) 3.056 17.096 ( 0.765 1.666 -0.000) 1.833 17.153 ( 3.302 1.834 -0.000) 3.777 17.187 ( -1.269 2.382 -0.000) 2.699 17.471 ( -6.701 -1.797 0.000) 6.938 17.761 ( 6.433 2.068 -0.000) 6.757 17.856 ( -0.008 1.371 -0.000) 1.371 17.879 ( 0.333 0.043 -0.000) 0.336 18.104 ( -2.129 4.372 -0.000) 4.863 18.144 ( -1.693 4.701 -0.000) 4.997 18.179 ( -1.759 3.291 -0.000) 3.731 20.910 ( 1.097 -6.100 0.000) 6.198 21.161 ( -8.186 -5.116 0.000) 9.653 21.630 ( 0.105 1.620 -0.000) 1.623 21.653 ( -0.457 1.197 -0.000) 1.281 22.164 ( 3.753 1.668 -0.000) 4.107 22.298 ( -1.021 1.236 -0.000) 1.603 26.720 ( 0.860 -1.404 0.000) 1.647 26.776 ( -0.741 -0.578 0.000) 0.940 27.136 ( -0.234 -0.705 0.000) 0.743 27.234 ( -2.271 1.250 -0.000) 2.592 27.361 ( 1.771 -1.103 0.000) 2.086 27.451 ( -0.931 -0.936 0.000) 1.320 34.844 ( 7.574 4.082 -0.000) 8.604 34.857 ( 5.198 3.206 -0.000) 6.107 36.249 ( 4.573 7.868 -0.000) 9.100 36.418 ( -0.493 11.463 -0.000) 11.473 37.359 ( 6.086 2.220 -0.000) 6.479 37.679 ( -0.139 1.606 -0.000) 1.612 37.992 ( -1.777 -4.557 0.000) 4.891 38.110 ( 2.187 -4.232 0.000) 4.763 38.358 ( -4.485 -3.847 0.000) 5.909 38.443 ( -1.762 -3.423 0.000) 3.850 38.953 ( 5.468 -7.333 0.000) 9.148 39.566 ( -12.973 -5.449 0.000) 14.071 ======================= Grid point 127 (57/75) ======================= q-point: ( 0.40 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 14.856 -12.132 0.000) 19.181 1.914 ( 13.169 -10.178 0.000) 16.644 2.208 ( 0.737 -13.921 0.000) 13.941 2.349 ( -2.271 -12.602 0.000) 12.805 2.633 ( 1.899 -7.424 0.000) 7.663 2.924 ( -17.774 0.118 -0.000) 17.774 3.333 ( 8.488 -19.715 0.000) 21.465 3.424 ( 3.378 -14.044 0.000) 14.444 3.561 ( 22.640 -13.620 0.000) 26.421 3.929 ( -0.793 -4.434 0.000) 4.504 4.076 ( -1.407 -6.766 0.000) 6.911 4.116 ( -9.093 -4.460 0.000) 10.128 4.298 ( 4.110 -10.880 0.000) 11.631 4.375 ( -6.478 -8.248 0.000) 10.488 4.472 ( 5.055 -6.416 0.000) 8.168 4.662 ( -11.564 -1.250 0.000) 11.631 4.967 ( 0.924 5.609 -0.000) 5.685 5.006 ( -3.026 -1.779 0.000) 3.510 5.216 ( 8.733 4.232 -0.000) 9.704 5.304 ( 7.491 2.007 -0.000) 7.755 5.341 ( 4.757 1.708 -0.000) 5.055 5.558 ( -6.205 0.049 -0.000) 6.205 5.618 ( 2.368 6.931 -0.000) 7.324 5.781 ( -5.392 4.139 -0.000) 6.798 5.852 ( 1.395 -0.009 0.000) 1.395 5.899 ( -3.058 -3.285 0.000) 4.488 5.963 ( 1.944 -0.815 0.000) 2.108 6.023 ( -2.969 0.321 -0.000) 2.986 6.065 ( 0.095 5.688 -0.000) 5.689 6.167 ( -10.311 0.094 -0.000) 10.311 6.402 ( 2.855 3.906 -0.000) 4.838 6.476 ( -4.532 2.108 -0.000) 4.998 6.618 ( 1.341 -5.703 0.000) 5.859 6.646 ( -0.610 -7.390 0.000) 7.415 6.965 ( 5.971 3.851 -0.000) 7.106 6.995 ( 6.969 3.654 -0.000) 7.869 7.069 ( -1.600 3.375 -0.000) 3.735 7.073 ( -3.910 1.079 -0.000) 4.056 7.210 ( -0.872 0.620 -0.000) 1.070 7.257 ( -2.921 -0.257 0.000) 2.932 7.356 ( -0.043 0.140 -0.000) 0.146 7.440 ( -6.821 0.322 -0.000) 6.829 7.540 ( 7.339 -1.077 0.000) 7.418 7.685 ( -3.352 2.192 -0.000) 4.005 7.700 ( -0.520 0.078 -0.000) 0.526 7.736 ( -1.065 -1.188 0.000) 1.596 7.941 ( 4.806 -7.936 0.000) 9.278 8.036 ( -3.349 -2.773 0.000) 4.348 8.224 ( 7.574 2.961 -0.000) 8.132 8.369 ( -5.820 4.746 -0.000) 7.510 8.561 ( 4.905 0.806 -0.000) 4.971 8.632 ( 0.082 0.313 -0.000) 0.324 8.824 ( -1.599 -2.676 0.000) 3.118 8.882 ( -5.540 -3.394 0.000) 6.497 9.026 ( 1.429 -2.636 0.000) 2.998 9.036 ( 0.324 -2.951 0.000) 2.968 9.286 ( 1.823 -2.824 0.000) 3.362 9.333 ( -3.304 -4.326 0.000) 5.443 9.567 ( 1.779 0.918 -0.000) 2.002 9.647 ( -6.506 0.125 -0.000) 6.508 9.822 ( 4.283 -1.003 0.000) 4.399 9.906 ( -2.497 -3.633 0.000) 4.409 10.010 ( 0.168 -1.038 0.000) 1.052 10.090 ( -5.957 -6.120 0.000) 8.541 11.393 ( 16.155 11.993 -0.000) 20.120 11.604 ( -5.430 17.870 -0.000) 18.677 16.525 ( 2.041 -2.121 0.000) 2.944 16.562 ( -1.753 -2.685 0.000) 3.206 17.120 ( 1.646 1.525 -0.000) 2.244 17.155 ( -1.937 1.843 -0.000) 2.673 17.235 ( 5.191 0.732 -0.000) 5.242 17.345 ( -6.355 -0.716 0.000) 6.395 17.861 ( 0.538 0.932 -0.000) 1.076 17.864 ( 1.356 1.136 -0.000) 1.769 17.903 ( 5.037 2.201 -0.000) 5.497 18.019 ( -5.918 3.687 -0.000) 6.973 18.136 ( 0.326 4.423 -0.000) 4.435 18.150 ( -1.163 4.103 -0.000) 4.265 20.945 ( 2.801 -6.819 0.000) 7.371 21.023 ( -5.711 -7.407 0.000) 9.352 21.635 ( 0.400 1.625 -0.000) 1.674 21.644 ( -0.481 1.464 -0.000) 1.541 22.227 ( 2.797 2.038 -0.000) 3.460 22.271 ( -1.843 1.570 -0.000) 2.421 26.739 ( 1.122 -1.147 0.000) 1.604 26.759 ( -0.980 -0.825 0.000) 1.281 27.147 ( 1.458 0.172 -0.000) 1.468 27.186 ( -2.506 0.820 -0.000) 2.637 27.395 ( 1.763 -1.037 0.000) 2.045 27.427 ( -1.523 -0.979 0.000) 1.811 34.926 ( 3.716 3.413 -0.000) 5.045 34.958 ( 1.414 5.960 -0.000) 6.125 36.340 ( 4.257 12.897 -0.000) 13.581 36.398 ( -1.897 13.029 -0.000) 13.166 37.506 ( 8.403 2.593 -0.000) 8.794 37.638 ( -4.765 2.383 -0.000) 5.328 38.002 ( 3.180 -5.088 0.000) 6.000 38.089 ( -4.483 -5.397 0.000) 7.017 38.326 ( 1.852 -1.192 0.000) 2.202 38.388 ( -3.683 -1.757 0.000) 4.081 39.093 ( 9.284 -10.683 0.000) 14.154 39.305 ( -13.080 -11.117 0.000) 17.166 ======================= Grid point 150 (58/75) ======================= q-point: ( 0.00 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 0.000 0.000 -1.551) 1.551 2.446 ( 0.000 0.000 -12.739) 12.739 3.045 ( 0.000 0.000 -5.228) 5.228 3.183 ( 0.000 0.000 -11.818) 11.818 3.221 ( 0.000 -0.000 7.272) 7.272 3.375 ( 0.000 -0.000 10.155) 10.155 3.516 ( 0.000 -0.000 11.547) 11.547 3.733 ( 0.000 0.000 -16.856) 16.856 3.827 ( 0.000 -0.000 2.955) 2.955 4.062 ( 0.000 -0.000 5.053) 5.053 4.194 ( 0.000 0.000 -5.243) 5.243 4.253 ( 0.000 -0.000 15.703) 15.703 4.563 ( 0.000 0.000 -2.465) 2.465 4.675 ( 0.000 0.000 -2.988) 2.988 4.680 ( 0.000 0.000 -6.314) 6.314 4.712 ( 0.000 -0.000 15.825) 15.825 4.976 ( 0.000 0.000 -0.871) 0.871 4.985 ( 0.000 0.000 -1.556) 1.556 5.001 ( 0.000 0.000 -2.044) 2.044 5.213 ( 0.000 -0.000 2.523) 2.523 5.304 ( 0.000 0.000 -5.478) 5.478 5.343 ( 0.000 0.000 -3.500) 3.500 5.694 ( 0.000 -0.000 9.522) 9.522 5.780 ( 0.000 0.000 -0.129) 0.129 5.812 ( 0.000 0.000 -10.345) 10.345 5.904 ( 0.000 -0.000 11.427) 11.427 6.100 ( 0.000 0.000 -5.296) 5.296 6.123 ( 0.000 -0.000 1.043) 1.043 6.227 ( 0.000 0.000 -1.001) 1.001 6.360 ( 0.000 0.000 -8.572) 8.572 6.480 ( 0.000 -0.000 1.915) 1.915 6.508 ( 0.000 0.000 -11.610) 11.610 6.782 ( 0.000 0.000 -0.425) 0.425 6.850 ( 0.000 -0.000 9.713) 9.713 6.889 ( 0.000 0.000 -4.098) 4.098 7.008 ( 0.000 0.000 -0.926) 0.926 7.047 ( 0.000 0.000 -5.646) 5.646 7.061 ( 0.000 0.000 -1.669) 1.669 7.277 ( 0.000 0.000 -0.851) 0.851 7.448 ( 0.000 0.000 -9.611) 9.611 7.523 ( 0.000 0.000 -1.712) 1.712 7.534 ( 0.000 -0.000 4.840) 4.840 7.541 ( 0.000 -0.000 2.838) 2.838 7.710 ( 0.000 0.000 -5.625) 5.625 7.844 ( 0.000 0.000 -1.054) 1.054 7.854 ( 0.000 0.000 -4.290) 4.290 7.857 ( 0.000 -0.000 18.164) 18.164 7.982 ( 0.000 -0.000 5.787) 5.787 7.997 ( 0.000 -0.000 6.979) 6.979 8.089 ( 0.000 -0.000 2.749) 2.749 8.330 ( 0.000 -0.000 2.826) 2.826 8.541 ( 0.000 -0.000 3.444) 3.444 8.586 ( 0.000 0.000 -4.753) 4.753 8.702 ( 0.000 0.000 -20.007) 20.007 8.724 ( 0.000 0.000 -2.823) 2.823 9.077 ( 0.000 -0.000 14.390) 14.390 9.193 ( 0.000 0.000 -1.746) 1.746 9.303 ( 0.000 -0.000 0.416) 0.416 9.344 ( 0.000 -0.000 2.901) 2.901 9.915 ( 0.000 0.000 -1.562) 1.562 10.165 ( 0.000 0.000 -1.085) 1.085 10.326 ( 0.000 0.000 -2.532) 2.532 10.492 ( 0.000 -0.000 5.175) 5.175 10.751 ( 0.000 0.000 -9.504) 9.504 10.789 ( 0.000 0.000 -1.177) 1.177 10.818 ( 0.000 -0.000 2.165) 2.165 16.534 ( 0.000 -0.000 0.176) 0.176 16.672 ( 0.000 -0.000 0.478) 0.478 17.092 ( 0.000 0.000 -2.621) 2.621 17.203 ( 0.000 0.000 -2.649) 2.649 17.349 ( 0.000 0.000 -7.819) 7.819 17.478 ( 0.000 -0.000 5.872) 5.872 17.588 ( 0.000 0.000 -0.098) 0.098 17.616 ( 0.000 -0.000 6.312) 6.312 17.752 ( 0.000 -0.000 2.009) 2.009 17.828 ( 0.000 -0.000 0.787) 0.787 17.909 ( 0.000 -0.000 0.396) 0.396 17.968 ( 0.000 -0.000 2.532) 2.532 21.017 ( 0.000 -0.000 4.234) 4.234 21.028 ( 0.000 -0.000 4.354) 4.354 21.634 ( 0.000 0.000 -1.463) 1.463 21.683 ( 0.000 0.000 -1.467) 1.467 22.114 ( 0.000 -0.000 0.001) 0.001 22.253 ( 0.000 -0.000 0.691) 0.691 26.766 ( 0.000 -0.000 0.744) 0.744 26.787 ( 0.000 0.000 -0.227) 0.227 27.223 ( 0.000 0.000 -1.819) 1.819 27.245 ( 0.000 0.000 -0.905) 0.905 27.410 ( 0.000 0.000 -0.107) 0.107 27.513 ( 0.000 -0.000 0.200) 0.200 34.742 ( 0.000 0.000 -0.969) 0.969 34.749 ( 0.000 0.000 -0.481) 0.481 35.981 ( 0.000 0.000 -1.999) 1.999 36.309 ( 0.000 0.000 -2.673) 2.673 37.050 ( 0.000 -0.000 7.700) 7.700 37.869 ( 0.000 -0.000 2.607) 2.607 37.932 ( 0.000 0.000 -3.084) 3.084 38.020 ( 0.000 -0.000 16.486) 16.486 38.509 ( 0.000 0.000 -6.244) 6.244 38.697 ( 0.000 0.000 -11.672) 11.672 39.745 ( 0.000 0.000 -16.253) 16.253 39.854 ( 0.000 -0.000 1.100) 1.100 ======================= Grid point 152 (59/75) ======================= q-point: ( 0.20 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 24.640 0.000 -2.058) 24.726 2.406 ( -4.064 0.000 -11.427) 12.128 2.953 ( -6.447 0.000 -4.520) 7.874 3.116 ( -8.062 -0.000 1.517) 8.203 3.342 ( 9.630 0.000 -3.539) 10.260 3.481 ( 1.602 -0.000 3.908) 4.224 3.595 ( 13.221 -0.000 13.495) 18.892 3.658 ( 0.276 0.000 -9.049) 9.054 3.954 ( 7.228 0.000 -4.131) 8.325 4.061 ( 0.626 -0.000 4.076) 4.124 4.217 ( 1.409 0.000 -1.615) 2.143 4.262 ( 0.711 -0.000 10.442) 10.466 4.447 ( -5.478 0.000 -0.804) 5.537 4.608 ( -5.382 -0.000 2.462) 5.918 4.679 ( -2.914 -0.000 5.633) 6.342 4.758 ( 1.885 0.000 -2.486) 3.120 4.914 ( -7.220 -0.000 0.331) 7.227 4.989 ( -5.049 0.000 -4.329) 6.651 5.062 ( 7.120 0.000 -4.067) 8.200 5.128 ( 1.594 -0.000 4.074) 4.375 5.361 ( 1.803 0.000 -2.335) 2.950 5.427 ( 6.389 0.000 -2.593) 6.896 5.662 ( -1.746 -0.000 8.079) 8.266 5.760 ( -0.369 0.000 -3.547) 3.566 5.879 ( 4.204 0.000 -3.938) 5.761 5.955 ( 3.002 -0.000 7.086) 7.695 6.042 ( -4.219 0.000 -2.196) 4.756 6.126 ( 0.229 -0.000 6.912) 6.916 6.255 ( 1.867 0.000 -3.343) 3.829 6.394 ( -5.962 0.000 -5.005) 7.784 6.404 ( 5.319 0.000 -8.136) 9.720 6.594 ( 5.769 0.000 -5.420) 7.916 6.781 ( -0.957 0.000 -5.509) 5.591 6.785 ( -3.983 -0.000 2.049) 4.479 6.899 ( -1.200 -0.000 2.367) 2.654 6.928 ( -5.195 -0.000 1.550) 5.422 7.037 ( -0.192 0.000 -6.789) 6.792 7.085 ( 0.159 0.000 -3.403) 3.407 7.262 ( -1.182 -0.000 2.270) 2.559 7.427 ( -0.581 0.000 -5.926) 5.954 7.457 ( -5.583 0.000 -3.837) 6.775 7.584 ( 1.404 -0.000 1.808) 2.289 7.635 ( 6.051 0.000 -2.098) 6.405 7.642 ( -5.293 0.000 -1.940) 5.637 7.732 ( -3.665 -0.000 3.426) 5.017 7.778 ( -3.787 -0.000 2.949) 4.800 7.871 ( -2.661 -0.000 14.574) 14.815 7.967 ( -1.119 0.000 -0.411) 1.192 8.097 ( 9.033 -0.000 4.027) 9.890 8.219 ( 7.720 -0.000 4.758) 9.068 8.338 ( 1.683 -0.000 2.032) 2.638 8.499 ( -3.184 0.000 -1.405) 3.480 8.581 ( -0.165 0.000 -1.470) 1.479 8.725 ( 1.160 0.000 -11.523) 11.581 8.764 ( 3.464 0.000 -4.189) 5.436 9.069 ( -0.463 -0.000 10.722) 10.732 9.072 ( -11.984 -0.000 6.490) 13.629 9.218 ( -1.756 0.000 -2.712) 3.231 9.515 ( 10.099 0.000 -4.518) 11.063 9.905 ( -1.392 0.000 -1.793) 2.270 10.206 ( 4.136 0.000 -2.186) 4.678 10.344 ( 2.258 0.000 -0.798) 2.395 10.482 ( -1.092 -0.000 4.143) 4.285 10.689 ( -6.234 0.000 -9.242) 11.147 10.782 ( -0.713 -0.000 0.155) 0.729 10.796 ( -2.066 -0.000 3.672) 4.214 16.548 ( 1.424 -0.000 0.156) 1.432 16.660 ( -1.275 -0.000 0.361) 1.326 17.102 ( 1.018 0.000 -2.464) 2.666 17.190 ( -1.224 0.000 -2.444) 2.733 17.376 ( 2.541 0.000 -6.825) 7.283 17.476 ( -0.208 -0.000 4.924) 4.929 17.587 ( -0.045 -0.000 0.305) 0.308 17.616 ( -0.186 -0.000 6.030) 6.033 17.759 ( 0.702 -0.000 1.882) 2.009 17.820 ( -0.801 -0.000 0.935) 1.231 17.901 ( -0.587 -0.000 0.362) 0.690 17.956 ( -1.184 -0.000 2.012) 2.334 21.018 ( 0.070 -0.000 4.233) 4.233 21.026 ( -0.139 -0.000 4.328) 4.330 21.637 ( 0.300 0.000 -1.522) 1.551 21.676 ( -0.688 0.000 -1.550) 1.696 22.129 ( 1.515 -0.000 0.106) 1.519 22.241 ( -1.222 -0.000 0.640) 1.379 26.765 ( -0.015 -0.000 0.725) 0.725 26.783 ( -0.339 0.000 -0.027) 0.340 27.213 ( -0.808 0.000 -1.849) 2.018 27.236 ( -0.898 0.000 -1.025) 1.363 27.425 ( 1.320 0.000 -0.061) 1.321 27.504 ( -0.880 -0.000 0.178) 0.898 34.773 ( 2.840 0.000 -1.052) 3.028 34.779 ( 2.682 0.000 -0.772) 2.791 36.001 ( 2.131 0.000 -1.886) 2.846 36.264 ( -4.427 0.000 -2.369) 5.021 37.124 ( 7.570 -0.000 7.818) 10.882 37.839 ( -10.283 -0.000 5.457) 11.641 37.884 ( 1.464 -0.000 2.742) 3.108 37.988 ( -1.724 -0.000 7.202) 7.406 38.543 ( 2.863 0.000 -6.435) 7.043 38.682 ( -1.462 0.000 -11.253) 11.348 39.755 ( 1.031 0.000 -14.271) 14.308 39.842 ( -1.149 0.000 -0.365) 1.205 ======================= Grid point 154 (60/75) ======================= q-point: ( 0.40 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 25.861 0.000 -3.298) 26.071 2.264 ( -12.815 0.000 -7.132) 14.666 2.866 ( -1.594 0.000 -5.973) 6.182 2.931 ( -8.606 0.000 -3.348) 9.234 3.436 ( 1.834 -0.000 3.395) 3.859 3.468 ( -1.625 -0.000 5.253) 5.499 3.808 ( 9.509 0.000 -4.323) 10.445 3.831 ( 7.238 -0.000 4.196) 8.366 4.050 ( 3.933 0.000 -3.104) 5.010 4.103 ( 2.050 -0.000 1.887) 2.786 4.219 ( -0.022 -0.000 3.814) 3.814 4.263 ( -1.439 -0.000 2.299) 2.713 4.427 ( 2.894 -0.000 5.252) 5.997 4.509 ( -4.937 -0.000 1.183) 5.077 4.640 ( 0.235 -0.000 3.001) 3.010 4.718 ( -6.427 0.000 -0.154) 6.429 4.793 ( -1.714 0.000 -0.721) 1.860 4.845 ( -6.562 0.000 -4.962) 8.226 5.208 ( 5.613 0.000 -2.742) 6.247 5.215 ( 3.943 -0.000 2.291) 4.560 5.408 ( 3.541 0.000 -0.144) 3.544 5.480 ( -1.550 0.000 -1.621) 2.243 5.660 ( 1.709 -0.000 4.028) 4.375 5.721 ( -4.056 0.000 -0.512) 4.088 5.938 ( 2.188 0.000 -1.262) 2.526 5.971 ( -1.026 -0.000 0.559) 1.169 6.035 ( 3.830 -0.000 2.990) 4.859 6.115 ( -2.758 -0.000 8.759) 9.183 6.273 ( 1.125 0.000 -4.984) 5.109 6.305 ( -2.637 0.000 -4.961) 5.618 6.551 ( 8.161 0.000 -5.874) 10.055 6.650 ( -1.938 0.000 -9.521) 9.716 6.736 ( -0.767 -0.000 1.271) 1.485 6.753 ( -0.863 -0.000 2.016) 2.193 6.867 ( -0.929 0.000 -2.281) 2.463 6.869 ( -0.782 0.000 -0.803) 1.121 7.032 ( -0.770 0.000 -7.268) 7.308 7.045 ( -2.980 0.000 -6.543) 7.190 7.271 ( 2.114 -0.000 3.720) 4.278 7.336 ( -5.483 0.000 -3.784) 6.662 7.423 ( 0.858 0.000 -6.633) 6.688 7.491 ( -5.853 0.000 -6.251) 8.563 7.652 ( 1.992 -0.000 7.877) 8.125 7.670 ( 0.532 0.000 -1.148) 1.265 7.738 ( -1.097 -0.000 5.482) 5.591 7.748 ( -1.711 -0.000 8.458) 8.630 7.842 ( 4.061 -0.000 6.073) 7.306 7.930 ( -3.431 0.000 -1.240) 3.648 8.260 ( 6.782 -0.000 1.957) 7.058 8.313 ( 1.486 -0.000 3.574) 3.871 8.393 ( 3.443 -0.000 1.099) 3.614 8.446 ( -2.366 0.000 -1.361) 2.729 8.606 ( 3.678 -0.000 3.912) 5.369 8.709 ( -4.200 -0.000 0.878) 4.291 8.818 ( 1.637 0.000 -4.015) 4.336 8.869 ( -6.719 -0.000 0.396) 6.730 9.085 ( 2.736 -0.000 3.003) 4.063 9.161 ( -4.280 0.000 -1.043) 4.406 9.703 ( 9.208 0.000 -6.968) 11.547 9.844 ( -5.390 0.000 -3.924) 6.668 10.317 ( 7.255 0.000 -4.908) 8.760 10.417 ( 5.201 -0.000 2.347) 5.706 10.438 ( -4.246 0.000 -1.051) 4.374 10.542 ( -8.169 0.000 -3.018) 8.709 10.761 ( -1.043 -0.000 4.158) 4.287 10.764 ( -1.013 -0.000 2.693) 2.877 16.584 ( 2.216 -0.000 0.113) 2.219 16.626 ( -2.144 -0.000 0.168) 2.151 17.128 ( 1.651 0.000 -2.195) 2.747 17.161 ( -1.719 0.000 -2.165) 2.765 17.429 ( 2.657 0.000 -3.576) 4.455 17.466 ( -1.122 -0.000 1.371) 1.772 17.590 ( 0.527 -0.000 2.183) 2.246 17.606 ( -0.867 -0.000 4.739) 4.818 17.777 ( 1.152 -0.000 1.695) 2.050 17.800 ( -1.228 -0.000 1.332) 1.812 17.900 ( 0.745 -0.000 0.375) 0.834 17.927 ( -1.767 -0.000 0.970) 2.016 21.020 ( 0.138 -0.000 4.241) 4.243 21.023 ( -0.179 -0.000 4.276) 4.280 21.646 ( 0.629 0.000 -1.632) 1.749 21.660 ( -0.858 0.000 -1.658) 1.866 22.166 ( 2.264 -0.000 0.315) 2.285 22.209 ( -2.092 -0.000 0.505) 2.152 26.767 ( 0.251 -0.000 0.621) 0.670 26.775 ( -0.502 -0.000 0.355) 0.614 27.204 ( 0.088 0.000 -1.723) 1.726 27.216 ( -1.009 0.000 -1.358) 1.692 27.453 ( 1.576 -0.000 0.027) 1.576 27.482 ( -1.396 -0.000 0.113) 1.400 34.824 ( 1.835 0.000 -1.255) 2.223 34.826 ( 1.611 0.000 -1.222) 2.021 36.063 ( 4.421 0.000 -1.749) 4.755 36.162 ( -5.771 0.000 -1.916) 6.081 37.322 ( 12.875 -0.000 8.332) 15.336 37.590 ( -14.678 -0.000 8.604) 17.013 37.919 ( 2.108 -0.000 2.992) 3.660 37.957 ( -1.802 -0.000 3.435) 3.879 38.597 ( 2.746 0.000 -8.078) 8.532 38.645 ( -2.327 0.000 -10.003) 10.270 39.781 ( 1.634 0.000 -9.539) 9.678 39.814 ( -1.715 0.000 -4.307) 4.636 ======================= Grid point 160 (61/75) ======================= q-point: ( 0.00 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.000 2.736 -0.958) 2.899 2.237 ( 0.000 0.266 -11.298) 11.301 2.915 ( 0.000 -13.866 -0.508) 13.875 2.919 ( 0.000 -14.228 -11.455) 18.266 3.334 ( 0.000 -10.049 -5.628) 11.518 3.372 ( 0.000 8.833 3.090) 9.358 3.556 ( 0.000 8.968 -2.448) 9.297 3.735 ( 0.000 -13.090 -3.030) 13.437 3.791 ( 0.000 10.298 4.443) 11.216 4.139 ( 0.000 4.237 0.137) 4.240 4.142 ( 0.000 -2.239 2.559) 3.400 4.422 ( 0.000 -5.574 1.289) 5.721 4.530 ( 0.000 -3.247 -11.405) 11.858 4.545 ( 0.000 -0.287 0.156) 0.326 4.636 ( 0.000 1.272 2.319) 2.645 4.843 ( 0.000 -8.880 1.916) 9.084 4.931 ( 0.000 -0.002 -1.041) 1.041 4.989 ( 0.000 3.358 0.012) 3.358 5.015 ( 0.000 5.123 -2.643) 5.765 5.167 ( 0.000 -10.727 -2.566) 11.030 5.276 ( 0.000 3.688 1.736) 4.077 5.356 ( 0.000 5.570 3.955) 6.832 5.652 ( 0.000 -3.453 -3.965) 5.258 5.725 ( 0.000 -5.586 0.605) 5.619 5.892 ( 0.000 3.898 5.991) 7.147 5.941 ( 0.000 -1.768 -5.774) 6.039 6.024 ( 0.000 0.532 -3.626) 3.665 6.174 ( 0.000 -3.831 3.449) 5.154 6.217 ( 0.000 -2.819 -4.359) 5.191 6.300 ( 0.000 0.994 5.638) 5.725 6.352 ( 0.000 2.281 -4.756) 5.274 6.469 ( 0.000 4.499 -3.838) 5.913 6.647 ( 0.000 -3.396 -3.817) 5.109 6.810 ( 0.000 5.521 -8.797) 10.386 6.901 ( 0.000 -6.702 -3.881) 7.744 6.965 ( 0.000 -3.391 0.741) 3.471 7.010 ( 0.000 0.085 2.165) 2.167 7.126 ( 0.000 9.222 -0.983) 9.274 7.237 ( 0.000 -0.640 -2.976) 3.044 7.351 ( 0.000 4.743 -2.059) 5.171 7.451 ( 0.000 -5.569 -1.893) 5.882 7.467 ( 0.000 0.314 -7.680) 7.687 7.556 ( 0.000 2.613 -3.604) 4.452 7.744 ( 0.000 0.045 6.662) 6.663 7.767 ( 0.000 -2.735 -3.786) 4.671 7.796 ( 0.000 1.686 -4.611) 4.910 8.034 ( 0.000 -6.218 -2.949) 6.882 8.093 ( 0.000 0.760 2.375) 2.493 8.104 ( 0.000 2.499 2.461) 3.507 8.253 ( 0.000 -0.181 16.748) 16.749 8.413 ( 0.000 -1.907 6.914) 7.173 8.473 ( 0.000 5.326 -2.733) 5.986 8.643 ( 0.000 0.483 11.190) 11.200 8.665 ( 0.000 -0.627 6.233) 6.264 8.698 ( 0.000 1.263 3.912) 4.111 9.151 ( 0.000 -4.303 3.100) 5.304 9.276 ( 0.000 0.045 -2.637) 2.638 9.306 ( 0.000 6.591 4.805) 8.157 9.439 ( 0.000 0.979 6.217) 6.294 9.853 ( 0.000 -2.723 -3.670) 4.570 10.143 ( 0.000 -0.060 -1.256) 1.257 10.239 ( 0.000 -3.747 -5.781) 6.889 10.442 ( 0.000 -3.163 -15.300) 15.624 10.599 ( 0.000 3.667 4.416) 5.739 10.636 ( 0.000 -10.725 -6.168) 12.372 11.022 ( 0.000 14.538 0.833) 14.562 16.532 ( 0.000 -0.713 0.025) 0.713 16.675 ( 0.000 -0.488 0.121) 0.502 17.052 ( 0.000 0.864 -2.304) 2.461 17.165 ( 0.000 0.489 -1.897) 1.959 17.212 ( 0.000 0.236 -7.538) 7.542 17.587 ( 0.000 -0.234 6.362) 6.367 17.588 ( 0.000 1.332 -0.749) 1.528 17.737 ( 0.000 -0.305 7.465) 7.471 17.773 ( 0.000 -2.970 1.787) 3.466 17.876 ( 0.000 4.902 2.027) 5.304 17.937 ( 0.000 -0.767 3.159) 3.251 18.029 ( 0.000 2.177 3.056) 3.752 21.051 ( 0.000 -5.014 4.240) 6.566 21.135 ( 0.000 2.835 4.455) 5.280 21.604 ( 0.000 -0.491 -1.347) 1.434 21.663 ( 0.000 1.449 -1.936) 2.418 22.114 ( 0.000 0.013 0.011) 0.017 22.265 ( 0.000 0.180 0.623) 0.649 26.758 ( 0.000 -2.104 0.303) 2.125 26.797 ( 0.000 1.707 -0.356) 1.744 27.194 ( 0.000 -0.152 -1.420) 1.429 27.230 ( 0.000 0.407 -0.937) 1.022 27.401 ( 0.000 -0.460 -0.641) 0.789 27.508 ( 0.000 -0.405 -0.494) 0.638 34.733 ( 0.000 -0.290 0.012) 0.290 34.747 ( 0.000 1.115 -0.289) 1.152 35.963 ( 0.000 2.464 -1.258) 2.767 36.295 ( 0.000 0.253 0.406) 0.479 37.160 ( 0.000 -1.223 5.525) 5.659 37.835 ( 0.000 -1.216 -4.449) 4.612 37.970 ( 0.000 3.129 3.745) 4.880 38.228 ( 0.000 -9.047 10.551) 13.898 38.445 ( 0.000 -0.317 -0.058) 0.322 38.523 ( 0.000 6.866 -9.854) 12.010 39.425 ( 0.000 -5.965 -15.824) 16.911 39.849 ( 0.000 4.343 -5.199) 6.775 ======================= Grid point 161 (62/75) ======================= q-point: ( 0.20 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 23.801 2.833 -1.515) 24.016 2.219 ( -1.563 0.420 -10.110) 10.238 2.842 ( -5.548 -12.233 -0.281) 13.435 3.075 ( 6.040 -8.254 -4.695) 11.255 3.284 ( 0.496 -4.500 -6.251) 7.718 3.378 ( 0.895 -3.342 -3.635) 5.018 3.572 ( 1.307 5.142 -0.808) 5.367 3.774 ( 4.599 -3.732 -0.360) 5.934 3.843 ( 4.717 2.195 -3.651) 6.356 4.085 ( -2.312 -3.939 -0.090) 4.568 4.221 ( 0.997 -1.640 2.813) 3.405 4.325 ( -2.496 8.040 -0.740) 8.451 4.452 ( -3.573 -5.603 -7.475) 10.002 4.626 ( 0.478 -1.241 5.716) 5.869 4.694 ( 3.939 -2.272 -1.746) 4.871 4.824 ( -1.200 -4.089 5.425) 6.898 4.885 ( -2.156 1.826 0.512) 2.872 4.987 ( -1.442 2.975 -3.168) 4.579 5.040 ( -1.102 4.809 2.087) 5.357 5.155 ( 3.382 -3.782 -1.920) 5.424 5.317 ( 3.776 -3.098 1.696) 5.170 5.405 ( 3.910 3.313 -0.079) 5.126 5.669 ( 3.456 -3.928 -1.772) 5.524 5.753 ( -0.216 -5.040 2.746) 5.743 5.885 ( 1.718 4.688 0.333) 5.004 5.980 ( 0.986 -2.354 -4.058) 4.793 5.997 ( -1.887 -1.297 -2.350) 3.281 6.182 ( -2.441 0.288 -1.579) 2.921 6.211 ( 0.831 -1.884 -0.506) 2.120 6.264 ( -1.641 0.979 -7.506) 7.746 6.375 ( 2.330 -3.525 4.501) 6.174 6.521 ( 1.923 1.819 -1.162) 2.890 6.633 ( 1.345 -0.717 -3.579) 3.890 6.761 ( -4.402 2.279 -5.701) 7.554 6.837 ( -3.259 -5.788 -7.498) 10.017 6.952 ( -1.972 2.193 -1.536) 3.325 6.985 ( -3.305 2.224 0.609) 4.030 7.084 ( -4.105 5.918 -0.692) 7.235 7.253 ( 0.884 -1.196 -4.135) 4.394 7.314 ( -3.711 -2.411 -4.594) 6.379 7.386 ( -1.897 3.540 -2.671) 4.823 7.508 ( -1.568 -1.293 -1.261) 2.392 7.576 ( 1.801 1.976 -4.692) 5.401 7.722 ( -0.689 -3.346 -1.600) 3.773 7.779 ( 0.235 0.877 0.082) 0.911 7.796 ( 1.386 1.118 5.436) 5.720 7.951 ( -1.922 -1.777 -0.428) 2.652 8.120 ( 0.197 4.879 3.292) 5.889 8.223 ( 2.648 -4.543 1.400) 5.442 8.281 ( 6.133 -0.283 9.754) 11.526 8.406 ( -0.794 -1.201 3.493) 3.778 8.464 ( 0.030 4.467 3.842) 5.892 8.623 ( 0.293 -1.277 4.329) 4.523 8.715 ( 3.639 0.560 9.173) 9.884 8.748 ( 4.174 0.470 4.538) 6.184 9.120 ( -5.235 -2.668 2.571) 6.413 9.189 ( -6.764 -1.199 4.000) 7.949 9.277 ( -2.534 6.958 3.041) 8.005 9.472 ( 3.917 -0.064 0.739) 3.987 9.842 ( -1.839 -2.686 -3.654) 4.894 10.154 ( 1.105 -0.101 -4.182) 4.326 10.274 ( 3.915 -4.896 -5.071) 8.063 10.377 ( -5.155 -1.178 -13.934) 14.903 10.587 ( -0.973 -8.597 0.592) 8.672 10.716 ( 5.726 1.185 0.723) 5.892 10.983 ( -3.672 15.161 0.432) 15.606 16.546 ( 1.347 -0.822 0.069) 1.580 16.663 ( -1.282 -0.297 0.081) 1.318 17.063 ( 1.089 0.647 -2.207) 2.545 17.155 ( -1.017 0.588 -1.890) 2.225 17.250 ( 3.839 0.062 -7.017) 7.999 17.530 ( -3.616 0.026 0.353) 3.634 17.629 ( 2.034 0.721 4.598) 5.079 17.734 ( -0.402 -0.122 7.211) 7.223 17.783 ( 1.020 -2.126 2.012) 3.100 17.864 ( -1.203 3.779 2.044) 4.461 17.932 ( -0.331 -0.025 3.021) 3.039 18.012 ( -1.647 1.975 3.014) 3.962 21.052 ( 0.104 -4.952 4.377) 6.610 21.132 ( -0.291 2.629 4.230) 4.989 21.603 ( -0.081 -0.770 -1.486) 1.675 21.655 ( -0.689 1.653 -2.087) 2.750 22.132 ( 1.751 0.081 0.177) 1.761 22.253 ( -1.261 0.208 0.613) 1.417 26.758 ( 0.035 -2.032 0.422) 2.076 26.795 ( -0.116 1.589 -0.289) 1.620 27.183 ( -0.849 -0.054 -1.526) 1.747 27.218 ( -1.148 0.282 -1.048) 1.580 27.416 ( 1.391 -0.440 -0.593) 1.575 27.499 ( -0.900 -0.400 -0.497) 1.103 34.763 ( 2.722 -0.022 0.056) 2.723 34.776 ( 2.682 1.269 -0.307) 2.983 35.984 ( 2.260 2.133 -1.008) 3.267 36.252 ( -4.164 0.650 0.277) 4.224 37.233 ( 7.407 -1.419 5.371) 9.259 37.806 ( -3.894 -0.899 -3.630) 5.399 37.982 ( 1.209 1.915 5.269) 5.735 38.158 ( -5.832 -5.697 10.845) 13.567 38.432 ( -1.142 -2.514 -3.799) 4.697 38.527 ( 0.071 6.723 -9.207) 11.401 39.465 ( 3.748 -6.607 -13.706) 15.670 39.819 ( -2.923 4.737 -6.419) 8.496 ======================= Grid point 162 (63/75) ======================= q-point: ( 0.40 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 23.493 2.522 -2.972) 23.814 2.151 ( -7.680 1.715 -6.797) 10.398 2.747 ( -3.273 -9.896 1.120) 10.483 2.930 ( -9.909 2.069 -1.789) 10.279 3.403 ( 2.071 -7.898 -6.110) 10.198 3.438 ( 2.223 -6.557 -5.658) 8.941 3.674 ( 11.810 -4.481 -2.980) 12.978 3.856 ( 1.452 -2.114 0.228) 2.575 3.951 ( 4.908 -3.054 -4.514) 7.334 4.014 ( -3.233 -6.022 -4.201) 8.023 4.157 ( -5.200 0.480 -7.082) 8.799 4.288 ( -3.246 3.457 -6.120) 7.742 4.508 ( 8.744 3.271 4.546) 10.384 4.647 ( -1.512 1.090 8.902) 9.095 4.688 ( -0.434 -0.233 -1.968) 2.029 4.785 ( -3.971 0.594 1.353) 4.237 4.813 ( -2.812 0.561 11.134) 11.497 4.942 ( -2.299 7.006 9.993) 12.418 5.078 ( 3.644 -6.423 -5.962) 9.491 5.237 ( 2.855 3.267 -2.995) 5.272 5.412 ( 4.979 -0.696 2.127) 5.459 5.466 ( 2.104 1.339 -1.405) 2.862 5.725 ( -0.752 -4.338 4.171) 6.064 5.732 ( -0.678 -3.146 2.504) 4.078 5.894 ( 1.090 0.146 -5.283) 5.397 5.946 ( -3.210 -1.196 -5.897) 6.820 6.032 ( 2.393 -2.868 -0.056) 3.735 6.147 ( 1.441 -3.194 -6.689) 7.551 6.176 ( -1.639 -1.068 -3.012) 3.592 6.266 ( -1.326 4.238 -1.983) 4.863 6.374 ( -2.335 -11.724 -1.874) 12.101 6.526 ( -0.526 1.796 -4.607) 4.973 6.715 ( 4.160 -3.297 -4.904) 7.227 6.736 ( 2.608 1.013 -2.245) 3.587 6.809 ( 0.145 1.868 -6.298) 6.571 6.891 ( -3.128 3.225 -0.300) 4.503 6.916 ( -2.260 3.444 -2.306) 4.720 6.984 ( -5.972 7.147 -2.898) 9.754 7.248 ( -0.126 -2.603 -3.977) 4.755 7.281 ( -0.218 0.471 -2.668) 2.718 7.365 ( -0.345 -1.554 1.802) 2.405 7.437 ( -4.102 -0.413 0.456) 4.148 7.616 ( 2.809 0.826 -4.219) 5.136 7.684 ( -3.447 -0.001 -2.927) 4.522 7.807 ( 2.632 -1.030 1.640) 3.268 7.835 ( 0.871 0.335 3.225) 3.358 7.969 ( 2.678 1.180 4.914) 5.720 8.056 ( -4.422 4.760 6.935) 9.502 8.275 ( 2.332 -3.163 -2.983) 4.934 8.335 ( -1.623 2.816 -2.305) 3.984 8.419 ( 2.615 -4.518 6.821) 8.589 8.491 ( 1.776 2.714 7.283) 7.973 8.672 ( 3.729 -3.149 0.873) 4.958 8.769 ( 1.500 0.672 8.389) 8.549 8.838 ( 4.859 0.237 6.722) 8.297 8.957 ( -8.942 1.287 7.537) 11.765 9.084 ( -4.016 -4.524 3.836) 7.163 9.221 ( -2.481 8.205 1.390) 8.684 9.601 ( 8.905 -1.440 -3.150) 9.555 9.761 ( -6.882 -2.372 -3.718) 8.174 10.192 ( 2.842 -1.311 -9.025) 9.553 10.275 ( -4.192 -0.567 -11.739) 12.478 10.386 ( 6.055 -7.887 -2.708) 10.305 10.532 ( -4.694 -8.900 0.364) 10.069 10.817 ( 4.580 7.961 3.403) 9.795 10.908 ( -3.806 13.442 1.420) 14.043 16.578 ( 1.717 -1.463 0.209) 2.265 16.632 ( -1.699 0.477 -0.046) 1.765 17.089 ( 1.429 -0.055 -1.914) 2.389 17.131 ( -1.373 1.115 -2.084) 2.734 17.342 ( 5.350 -0.562 -5.263) 7.526 17.450 ( -4.800 0.060 -2.657) 5.487 17.667 ( 1.813 -0.110 5.882) 6.156 17.717 ( -1.278 1.099 6.774) 6.981 17.807 ( 1.462 -0.418 2.099) 2.591 17.836 ( -1.542 1.632 2.036) 3.031 17.934 ( 0.675 0.443 2.892) 3.002 17.975 ( -1.861 1.996 2.998) 4.054 21.054 ( 0.075 -4.845 4.641) 6.709 21.127 ( -0.190 2.287 3.819) 4.455 21.602 ( -0.046 -1.382 -1.740) 2.223 21.643 ( -0.397 2.179 -2.256) 3.162 22.173 ( 2.416 0.105 0.448) 2.459 22.220 ( -2.141 0.317 0.561) 2.236 26.759 ( 0.008 -1.925 0.555) 2.003 26.793 ( -0.098 1.417 -0.128) 1.426 27.176 ( 0.277 0.066 -1.553) 1.579 27.193 ( -1.343 0.152 -1.324) 1.892 27.446 ( 1.607 -0.461 -0.534) 1.755 27.476 ( -1.412 -0.364 -0.513) 1.546 34.811 ( 1.635 0.248 -0.003) 1.654 34.824 ( 1.695 1.639 -0.262) 2.372 36.046 ( 4.055 0.802 -0.273) 4.142 36.157 ( -5.184 2.066 -0.259) 5.587 37.422 ( 11.859 -1.961 4.248) 12.749 37.661 ( -10.993 -1.009 1.619) 11.157 38.012 ( 1.755 -0.724 8.212) 8.429 38.069 ( -2.994 -0.767 6.646) 7.329 38.413 ( -0.653 -4.184 -6.098) 7.424 38.524 ( -0.266 6.658 -10.369) 12.325 39.541 ( 3.231 -9.296 -9.343) 13.570 39.756 ( -2.839 7.025 -9.691) 12.301 ======================= Grid point 165 (64/75) ======================= q-point: ( 0.00 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.000 4.753 -0.369) 4.767 2.072 ( 0.000 -1.780 -7.019) 7.241 2.541 ( 0.000 -25.097 -8.579) 26.523 2.772 ( 0.000 -21.213 3.643) 21.524 3.180 ( 0.000 -4.307 -3.479) 5.537 3.399 ( 0.000 -3.479 -7.262) 8.052 3.585 ( 0.000 -5.079 0.024) 5.079 3.635 ( 0.000 6.744 0.499) 6.762 3.858 ( 0.000 9.398 -4.084) 10.246 4.049 ( 0.000 -24.649 -10.379) 26.745 4.188 ( 0.000 -3.952 -3.840) 5.510 4.234 ( 0.000 -5.341 8.906) 10.385 4.410 ( 0.000 6.405 -5.387) 8.370 4.549 ( 0.000 -2.090 0.848) 2.255 4.684 ( 0.000 -1.048 1.537) 1.860 4.753 ( 0.000 -5.191 -2.735) 5.867 4.895 ( 0.000 1.073 -2.514) 2.733 4.939 ( 0.000 -5.357 -3.910) 6.632 5.027 ( 0.000 -1.213 2.160) 2.477 5.098 ( 0.000 -5.712 2.395) 6.194 5.298 ( 0.000 6.277 -3.612) 7.242 5.523 ( 0.000 5.504 2.195) 5.925 5.668 ( 0.000 -2.340 5.367) 5.855 5.686 ( 0.000 -1.150 4.695) 4.834 5.785 ( 0.000 -3.979 -3.195) 5.103 5.946 ( 0.000 -5.352 -0.147) 5.354 6.003 ( 0.000 2.926 -3.183) 4.324 6.135 ( 0.000 -4.568 2.534) 5.224 6.217 ( 0.000 0.271 1.730) 1.751 6.250 ( 0.000 0.041 -3.733) 3.733 6.459 ( 0.000 2.855 4.396) 5.241 6.516 ( 0.000 7.027 -0.174) 7.029 6.613 ( 0.000 2.531 -1.011) 2.726 6.721 ( 0.000 1.387 -2.963) 3.272 6.817 ( 0.000 1.894 -3.488) 3.969 6.927 ( 0.000 -4.112 0.204) 4.117 6.972 ( 0.000 -0.776 -2.435) 2.555 7.191 ( 0.000 8.323 -1.451) 8.448 7.209 ( 0.000 -0.179 -1.414) 1.426 7.338 ( 0.000 5.457 -5.753) 7.930 7.348 ( 0.000 -2.712 -5.143) 5.814 7.484 ( 0.000 5.296 4.406) 6.889 7.500 ( 0.000 0.571 -3.457) 3.504 7.622 ( 0.000 -4.751 -7.576) 8.942 7.711 ( 0.000 1.828 -3.853) 4.264 7.860 ( 0.000 -9.853 -2.257) 10.108 7.872 ( 0.000 0.089 5.012) 5.013 8.113 ( 0.000 2.746 -0.975) 2.913 8.146 ( 0.000 1.451 -1.641) 2.191 8.434 ( 0.000 -1.784 7.430) 7.641 8.481 ( 0.000 -5.351 3.714) 6.514 8.658 ( 0.000 -3.456 1.314) 3.698 8.680 ( 0.000 5.401 13.815) 14.833 8.875 ( 0.000 -2.028 13.858) 14.005 8.909 ( 0.000 0.493 11.959) 11.969 9.173 ( 0.000 -1.077 1.336) 1.716 9.258 ( 0.000 3.766 -0.921) 3.877 9.383 ( 0.000 5.147 -3.921) 6.470 9.559 ( 0.000 0.246 7.926) 7.930 9.750 ( 0.000 -4.777 -3.660) 6.018 10.029 ( 0.000 -6.547 -8.324) 10.590 10.161 ( 0.000 1.297 -0.739) 1.493 10.209 ( 0.000 -4.054 -7.009) 8.097 10.413 ( 0.000 -6.361 -8.509) 10.624 10.694 ( 0.000 3.639 2.197) 4.250 11.127 ( 0.000 16.678 -5.328) 17.508 16.522 ( 0.000 -1.350 -0.084) 1.352 16.666 ( 0.000 -1.372 -0.081) 1.374 17.034 ( 0.000 2.034 -1.383) 2.460 17.112 ( 0.000 0.819 -4.354) 4.430 17.149 ( 0.000 1.049 -0.892) 1.377 17.588 ( 0.000 2.431 -1.163) 2.695 17.660 ( 0.000 -2.488 2.727) 3.691 17.782 ( 0.000 -0.713 2.070) 2.189 17.850 ( 0.000 -0.602 5.584) 5.616 17.969 ( 0.000 6.419 1.817) 6.671 17.995 ( 0.000 0.634 3.374) 3.433 18.099 ( 0.000 2.889 1.817) 3.413 21.060 ( 0.000 -5.942 2.698) 6.525 21.225 ( 0.000 1.061 3.596) 3.749 21.589 ( 0.000 0.825 -0.568) 1.002 21.642 ( 0.000 1.566 -2.094) 2.615 22.114 ( 0.000 0.032 0.011) 0.033 22.277 ( 0.000 0.538 0.374) 0.655 26.746 ( 0.000 -1.529 0.469) 1.599 26.798 ( 0.000 0.508 -0.709) 0.872 27.172 ( 0.000 -0.401 -0.812) 0.906 27.223 ( 0.000 0.901 -0.572) 1.067 27.383 ( 0.000 -0.955 -0.583) 1.119 27.492 ( 0.000 -0.732 -0.540) 0.909 34.730 ( 0.000 -0.233 -0.107) 0.256 34.763 ( 0.000 1.625 0.310) 1.655 35.989 ( 0.000 5.821 -0.425) 5.836 36.314 ( 0.000 0.194 1.217) 1.232 37.223 ( 0.000 -0.409 3.197) 3.223 37.724 ( 0.000 1.839 -7.843) 8.055 38.077 ( 0.000 -2.262 7.058) 7.411 38.197 ( 0.000 -7.614 -0.537) 7.633 38.489 ( 0.000 -0.930 4.188) 4.290 38.518 ( 0.000 3.596 -0.312) 3.610 39.126 ( 0.000 -5.522 -11.175) 12.465 39.767 ( 0.000 2.665 -7.571) 8.027 ======================= Grid point 166 (65/75) ======================= q-point: ( 0.20 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 23.158 5.550 -0.899) 23.830 2.074 ( 0.705 -1.492 -6.211) 6.426 2.679 ( 5.442 -23.480 -0.721) 24.113 2.826 ( 10.096 -19.730 -3.330) 22.412 3.127 ( -5.842 -5.736 -2.994) 8.718 3.334 ( -8.147 -1.380 -5.302) 9.818 3.537 ( 0.261 -8.171 -1.879) 8.389 3.726 ( 7.060 7.258 -1.038) 10.179 3.806 ( -1.489 3.921 -7.276) 8.398 4.028 ( -5.120 -8.527 1.546) 10.066 4.157 ( -0.303 -12.660 -7.040) 14.489 4.278 ( -2.327 -2.425 -0.155) 3.365 4.427 ( 5.295 3.570 -1.080) 6.477 4.539 ( 1.164 -4.508 -0.614) 4.696 4.692 ( 1.295 -3.966 0.593) 4.214 4.827 ( 0.657 -2.091 -2.753) 3.519 4.914 ( 6.630 0.964 0.881) 6.758 4.999 ( 0.516 2.033 1.719) 2.712 5.048 ( 4.955 -5.468 0.576) 7.402 5.141 ( 4.761 -2.669 3.070) 6.262 5.274 ( -0.363 3.167 -5.454) 6.317 5.553 ( 1.395 6.015 6.797) 9.183 5.643 ( -0.215 -1.596 -0.752) 1.777 5.704 ( -0.648 -6.650 2.414) 7.104 5.814 ( 2.531 -3.525 -2.510) 5.013 5.907 ( -3.130 -1.303 -1.747) 3.814 5.986 ( -1.058 1.023 -0.080) 1.474 6.105 ( -4.806 -1.981 -4.109) 6.626 6.176 ( -2.300 -0.800 -1.799) 3.027 6.298 ( 1.021 2.483 4.109) 4.908 6.385 ( -3.750 -2.833 2.872) 5.508 6.562 ( -4.570 -1.908 0.439) 4.972 6.618 ( 0.737 2.730 -0.668) 2.906 6.663 ( 1.982 3.084 -4.594) 5.877 6.758 ( 0.450 4.190 -2.454) 4.877 6.956 ( -1.991 0.899 -0.959) 2.385 6.978 ( -1.695 5.204 -2.509) 6.021 7.104 ( -7.523 3.617 -2.687) 8.770 7.161 ( -3.799 -0.342 -4.797) 6.129 7.256 ( 0.600 0.395 0.120) 0.728 7.418 ( 3.326 4.709 0.119) 5.767 7.497 ( 0.670 -2.452 -0.552) 2.601 7.529 ( -2.149 0.751 -1.975) 3.014 7.639 ( 2.973 -2.290 -2.661) 4.600 7.731 ( 1.692 1.498 -4.290) 4.849 7.848 ( -1.732 -2.417 -0.209) 2.981 7.932 ( 5.557 -0.804 0.718) 5.660 8.102 ( 1.619 -3.020 -2.638) 4.325 8.176 ( 0.359 3.569 -2.194) 4.205 8.427 ( -4.263 -3.844 4.209) 7.118 8.494 ( 3.583 -1.759 8.435) 9.332 8.590 ( -3.712 -0.685 0.116) 3.776 8.712 ( 1.979 2.615 11.475) 11.935 8.884 ( 1.355 -4.064 12.190) 12.921 8.944 ( 2.202 0.494 12.006) 12.216 9.145 ( -4.539 1.322 0.651) 4.772 9.234 ( -0.318 -0.088 0.989) 1.043 9.357 ( -1.894 4.894 -0.174) 5.251 9.560 ( -0.235 0.155 8.890) 8.894 9.740 ( -1.423 -4.395 -3.828) 6.000 10.031 ( -3.758 -3.705 -9.149) 10.562 10.099 ( 2.887 -4.127 -8.312) 9.720 10.165 ( -5.622 -0.749 -7.715) 9.575 10.439 ( 0.755 -10.332 -3.253) 10.858 10.813 ( 9.618 7.455 2.142) 12.356 11.107 ( -1.675 18.245 -4.002) 18.753 16.536 ( 1.448 -1.387 0.094) 2.007 16.655 ( -1.150 -1.175 -0.138) 1.649 17.045 ( 1.053 1.780 -1.244) 2.413 17.137 ( -0.654 1.236 -1.549) 2.087 17.156 ( 3.877 0.460 -3.619) 5.323 17.515 ( -5.662 0.030 -1.455) 5.846 17.711 ( 3.366 0.330 3.130) 4.608 17.794 ( 1.254 -0.571 1.771) 2.244 17.849 ( -0.157 -0.509 5.325) 5.351 17.945 ( -2.211 5.002 2.025) 5.832 17.995 ( -0.070 1.671 3.052) 3.480 18.080 ( -1.789 2.587 1.845) 3.646 21.066 ( 0.681 -5.793 3.056) 6.585 21.208 ( -1.592 0.062 2.858) 3.272 21.584 ( -0.417 0.708 -0.523) 0.975 21.634 ( -0.690 1.743 -2.227) 2.911 22.137 ( 2.126 0.300 0.182) 2.155 22.265 ( -1.227 0.580 0.379) 1.409 26.750 ( 0.326 -1.476 0.659) 1.649 26.796 ( -0.201 0.395 -0.771) 0.890 27.160 ( -0.875 -0.250 -0.907) 1.285 27.208 ( -1.449 0.657 -0.646) 1.717 27.399 ( 1.477 -0.877 -0.539) 1.800 27.483 ( -0.896 -0.736 -0.535) 1.277 34.771 ( 3.553 0.806 0.270) 3.654 34.791 ( 2.720 1.748 0.180) 3.238 36.011 ( 2.344 5.399 -0.127) 5.887 36.275 ( -3.901 1.106 1.015) 4.180 37.290 ( 6.727 -0.716 3.037) 7.415 37.717 ( -1.209 1.842 -6.812) 7.159 38.075 ( -0.439 -4.422 5.867) 7.360 38.197 ( -0.016 -6.148 3.260) 6.959 38.422 ( -5.398 2.062 0.125) 5.779 38.489 ( -2.725 1.762 -0.607) 3.301 39.197 ( 6.487 -6.025 -8.985) 12.614 39.717 ( -4.870 2.104 -8.662) 10.157 ======================= Grid point 167 (66/75) ======================= q-point: ( 0.40 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 20.946 5.162 -2.098) 21.674 2.069 ( -3.471 0.882 -4.012) 5.378 2.710 ( 2.156 -12.906 5.788) 14.308 2.887 ( -11.671 -8.491 0.659) 14.448 3.055 ( 3.726 -21.007 -11.048) 24.026 3.223 ( -2.429 -8.351 -12.256) 15.028 3.620 ( 7.776 -7.438 0.724) 10.785 3.770 ( -3.687 -7.204 -1.807) 8.292 3.915 ( 6.554 4.836 -2.710) 8.584 3.951 ( 1.986 2.205 0.593) 3.026 4.077 ( -4.452 1.436 -3.430) 5.801 4.228 ( -5.138 1.922 -2.674) 6.103 4.493 ( 3.551 -8.295 -3.327) 9.617 4.621 ( 4.296 -7.611 -1.006) 8.797 4.740 ( -3.529 -0.252 -3.072) 4.686 4.799 ( 3.092 -1.791 -0.847) 3.672 4.956 ( 1.996 0.620 4.853) 5.284 5.021 ( -1.572 -5.333 9.110) 10.672 5.185 ( 3.828 7.067 3.797) 8.889 5.232 ( 6.002 3.340 2.418) 7.282 5.356 ( 8.304 -4.074 -4.746) 10.396 5.520 ( -6.381 -0.483 0.551) 6.423 5.615 ( 0.302 -5.541 -4.424) 7.097 5.700 ( -4.243 -5.046 -5.226) 8.413 5.788 ( -0.190 -0.336 1.484) 1.533 5.862 ( -5.271 0.009 1.903) 5.604 6.018 ( 3.609 -1.254 -2.619) 4.632 6.053 ( 2.144 -1.014 -0.589) 2.444 6.086 ( -0.703 -2.331 -4.711) 5.302 6.256 ( -5.721 -5.488 3.007) 8.478 6.346 ( -3.823 -0.461 1.741) 4.226 6.460 ( -2.420 -0.555 -3.916) 4.637 6.618 ( -0.674 -0.449 -0.088) 0.815 6.737 ( -0.328 6.948 -5.337) 8.767 6.797 ( 5.227 6.752 -2.184) 8.814 6.900 ( -3.469 7.537 -3.458) 8.988 6.922 ( 0.249 4.138 -0.838) 4.229 7.014 ( -1.350 3.349 -1.815) 4.041 7.196 ( 2.874 -2.090 1.750) 3.961 7.265 ( 0.368 0.384 0.215) 0.574 7.392 ( -2.704 -3.036 2.150) 4.599 7.432 ( -4.782 -2.578 -0.211) 5.436 7.575 ( 4.697 1.444 -0.646) 4.956 7.659 ( -2.999 0.456 0.917) 3.169 7.772 ( 3.544 -0.676 -4.904) 6.089 7.827 ( -0.852 -0.292 -3.383) 3.501 8.030 ( 4.596 0.616 -0.305) 4.647 8.117 ( -3.308 0.068 0.186) 3.314 8.189 ( 3.428 -0.188 -2.035) 3.991 8.309 ( -5.754 1.717 -2.536) 6.518 8.542 ( 1.377 -2.078 3.648) 4.419 8.589 ( 1.203 0.593 2.050) 2.450 8.731 ( 0.166 -2.485 12.677) 12.919 8.918 ( 1.289 -5.302 5.498) 7.746 8.969 ( 0.510 0.959 12.273) 12.321 9.072 ( -1.524 -1.772 5.299) 5.792 9.203 ( -2.602 1.682 8.175) 8.742 9.341 ( -0.281 5.725 2.527) 6.264 9.580 ( 3.297 -1.849 3.439) 5.110 9.684 ( -4.351 -3.505 -1.789) 5.866 9.989 ( 0.127 -2.090 -11.814) 11.998 10.063 ( -3.978 -1.099 -11.415) 12.138 10.214 ( 7.238 -8.167 -6.164) 12.534 10.384 ( -5.875 -10.264 -4.750) 12.745 10.981 ( 7.107 13.159 2.189) 15.115 11.070 ( -2.689 17.799 -0.154) 18.001 16.569 ( 1.676 -1.729 0.689) 2.504 16.627 ( -1.504 -0.570 -0.526) 1.692 17.070 ( 1.422 1.209 -0.822) 2.040 17.113 ( -1.395 1.533 -1.427) 2.517 17.260 ( 6.375 -0.314 -3.369) 7.217 17.396 ( -6.591 -0.326 -2.901) 7.209 17.765 ( 2.064 0.685 4.719) 5.196 17.820 ( 0.547 1.248 2.551) 2.892 17.848 ( 1.052 0.059 3.207) 3.376 17.894 ( -2.954 3.027 1.784) 4.590 17.998 ( 0.464 1.644 3.133) 3.568 18.044 ( -1.581 2.536 1.892) 3.537 21.082 ( 0.717 -5.420 4.204) 6.897 21.177 ( -1.284 -1.639 1.084) 2.347 21.577 ( -0.241 0.627 -0.370) 0.767 21.623 ( -0.323 2.081 -2.416) 3.205 22.184 ( 2.592 0.541 0.439) 2.684 22.233 ( -2.120 0.711 0.343) 2.262 26.755 ( 0.156 -1.351 0.960) 1.665 26.792 ( -0.109 0.205 -0.862) 0.892 27.154 ( 0.444 0.049 -0.958) 1.058 27.176 ( -1.662 0.332 -0.822) 1.884 27.430 ( 1.620 -0.843 -0.476) 1.887 27.461 ( -1.400 -0.729 -0.551) 1.672 34.828 ( 1.827 1.686 0.763) 2.601 34.843 ( 1.919 2.422 -0.024) 3.090 36.074 ( 3.995 3.844 0.884) 5.614 36.185 ( -4.899 3.432 0.193) 5.985 37.449 ( 8.729 -1.547 2.045) 9.098 37.654 ( -5.442 1.733 -3.197) 6.545 38.064 ( -0.369 -6.578 3.809) 7.610 38.183 ( -1.296 -3.530 8.302) 9.114 38.368 ( 0.646 2.522 -3.080) 4.033 38.424 ( -3.681 2.109 -3.387) 5.429 39.324 ( 5.449 -7.766 -4.744) 10.607 39.611 ( -4.938 2.226 -12.155) 13.307 ======================= Grid point 170 (67/75) ======================= q-point: ( 0.00 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.000 4.731 -0.000) 4.731 1.960 ( 0.000 -8.972 0.000) 8.972 2.191 ( 0.000 -29.834 0.000) 29.834 2.609 ( 0.000 -20.941 0.000) 20.941 3.124 ( 0.000 -1.306 0.000) 1.306 3.191 ( 0.000 -15.418 0.000) 15.418 3.523 ( 0.000 -18.173 0.000) 18.173 3.659 ( 0.000 -18.599 0.000) 18.599 3.661 ( 0.000 -1.501 0.000) 1.501 3.926 ( 0.000 11.583 -0.000) 11.583 4.093 ( 0.000 -12.185 0.000) 12.185 4.260 ( 0.000 -6.918 0.000) 6.918 4.495 ( 0.000 -10.561 0.000) 10.561 4.500 ( 0.000 15.580 -0.000) 15.580 4.660 ( 0.000 -5.239 0.000) 5.239 4.676 ( 0.000 -1.848 0.000) 1.848 4.843 ( 0.000 -6.361 0.000) 6.361 4.877 ( 0.000 -0.984 0.000) 0.984 5.016 ( 0.000 -7.622 0.000) 7.622 5.088 ( 0.000 2.150 -0.000) 2.150 5.337 ( 0.000 7.708 -0.000) 7.708 5.553 ( 0.000 7.433 -0.000) 7.433 5.632 ( 0.000 -2.035 0.000) 2.035 5.817 ( 0.000 -6.897 0.000) 6.897 5.857 ( 0.000 -1.784 0.000) 1.784 5.872 ( 0.000 5.232 -0.000) 5.232 5.946 ( 0.000 4.034 -0.000) 4.034 6.089 ( 0.000 -6.253 0.000) 6.253 6.217 ( 0.000 -0.405 0.000) 0.405 6.281 ( 0.000 1.435 -0.000) 1.435 6.516 ( 0.000 1.932 -0.000) 1.932 6.530 ( 0.000 1.988 -0.000) 1.988 6.641 ( 0.000 3.068 -0.000) 3.068 6.741 ( 0.000 1.943 -0.000) 1.943 6.809 ( 0.000 4.645 -0.000) 4.645 6.909 ( 0.000 -2.104 0.000) 2.104 6.944 ( 0.000 -0.127 0.000) 0.127 7.194 ( 0.000 -0.392 0.000) 0.392 7.241 ( 0.000 4.747 -0.000) 4.747 7.286 ( 0.000 2.374 -0.000) 2.374 7.329 ( 0.000 4.377 -0.000) 4.377 7.452 ( 0.000 -5.872 0.000) 5.872 7.531 ( 0.000 1.830 -0.000) 1.830 7.579 ( 0.000 5.937 -0.000) 5.937 7.715 ( 0.000 4.423 -0.000) 4.423 7.748 ( 0.000 -10.011 0.000) 10.011 7.909 ( 0.000 -1.320 0.000) 1.320 8.102 ( 0.000 -4.274 0.000) 4.274 8.135 ( 0.000 3.740 -0.000) 3.740 8.438 ( 0.000 -7.649 0.000) 7.649 8.501 ( 0.000 0.425 -0.000) 0.425 8.647 ( 0.000 -2.783 0.000) 2.783 8.859 ( 0.000 2.477 -0.000) 2.477 9.027 ( 0.000 -5.680 0.000) 5.680 9.040 ( 0.000 0.434 -0.000) 0.434 9.151 ( 0.000 3.933 -0.000) 3.933 9.286 ( 0.000 2.053 -0.000) 2.053 9.344 ( 0.000 2.656 -0.000) 2.656 9.657 ( 0.000 -6.270 0.000) 6.270 9.669 ( 0.000 2.381 -0.000) 2.381 9.872 ( 0.000 -6.163 0.000) 6.163 10.106 ( 0.000 -5.853 0.000) 5.853 10.174 ( 0.000 2.044 -0.000) 2.044 10.296 ( 0.000 -0.141 0.000) 0.141 10.742 ( 0.000 2.598 -0.000) 2.598 11.218 ( 0.000 15.565 -0.000) 15.565 16.505 ( 0.000 -1.751 0.000) 1.751 16.648 ( 0.000 -2.164 0.000) 2.164 17.045 ( 0.000 2.522 -0.000) 2.522 17.085 ( 0.000 1.369 -0.000) 1.369 17.155 ( 0.000 1.755 -0.000) 1.755 17.603 ( 0.000 3.114 -0.000) 3.114 17.643 ( 0.000 -4.166 0.000) 4.166 17.813 ( 0.000 1.731 -0.000) 1.731 17.895 ( 0.000 -0.843 0.000) 0.843 18.046 ( 0.000 2.571 -0.000) 2.571 18.050 ( 0.000 6.641 -0.000) 6.641 18.141 ( 0.000 3.014 -0.000) 3.014 21.022 ( 0.000 -6.499 0.000) 6.499 21.267 ( 0.000 0.271 -0.000) 0.271 21.598 ( 0.000 1.609 -0.000) 1.609 21.634 ( 0.000 1.398 -0.000) 1.398 22.115 ( 0.000 0.045 -0.000) 0.045 22.288 ( 0.000 0.871 -0.000) 0.871 26.739 ( 0.000 -1.374 0.000) 1.374 26.790 ( 0.000 -0.167 0.000) 0.167 27.160 ( 0.000 -0.692 0.000) 0.692 27.229 ( 0.000 1.352 -0.000) 1.352 27.366 ( 0.000 -1.294 0.000) 1.294 27.479 ( 0.000 -0.929 0.000) 0.929 34.726 ( 0.000 -0.291 0.000) 0.291 34.783 ( 0.000 1.878 -0.000) 1.878 36.057 ( 0.000 8.458 -0.000) 8.458 36.330 ( 0.000 0.845 -0.000) 0.845 37.264 ( 0.000 1.523 -0.000) 1.523 37.653 ( 0.000 0.959 -0.000) 0.959 38.118 ( 0.000 -4.020 0.000) 4.020 38.140 ( 0.000 -4.114 0.000) 4.114 38.506 ( 0.000 -3.632 0.000) 3.632 38.518 ( 0.000 -1.630 0.000) 1.630 38.986 ( 0.000 -3.817 0.000) 3.817 39.697 ( 0.000 0.644 -0.000) 0.644 ======================= Grid point 171 (68/75) ======================= q-point: ( 0.20 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 23.325 6.616 -0.000) 24.245 1.979 ( 3.089 -7.026 0.000) 7.675 2.392 ( 15.386 -28.522 0.000) 32.407 2.621 ( 1.079 -20.005 0.000) 20.034 3.043 ( -6.418 -7.422 0.000) 9.812 3.216 ( -5.523 -5.403 0.000) 7.727 3.453 ( -2.192 -6.299 0.000) 6.669 3.616 ( 6.079 -25.119 0.000) 25.844 3.760 ( 4.481 -4.444 0.000) 6.310 3.963 ( -2.600 -3.270 0.000) 4.177 4.025 ( 1.534 0.646 -0.000) 1.664 4.278 ( -5.378 -2.755 0.000) 6.043 4.388 ( -1.597 -3.742 0.000) 4.069 4.530 ( 1.227 -3.383 0.000) 3.599 4.672 ( -0.538 -1.514 0.000) 1.607 4.774 ( 5.986 1.156 -0.000) 6.097 4.883 ( 3.365 -10.828 0.000) 11.339 4.975 ( 8.767 0.918 -0.000) 8.815 5.073 ( 3.739 -1.661 0.000) 4.091 5.129 ( 8.248 -1.162 0.000) 8.330 5.271 ( -4.098 4.287 -0.000) 5.930 5.542 ( -5.474 -2.571 0.000) 6.047 5.653 ( 3.016 6.203 -0.000) 6.897 5.784 ( -4.528 -2.748 0.000) 5.297 5.855 ( -0.416 -1.092 0.000) 1.169 5.864 ( 1.858 3.009 -0.000) 3.536 5.961 ( 1.143 3.864 -0.000) 4.029 6.048 ( -4.247 -3.511 0.000) 5.511 6.145 ( -5.881 -1.521 0.000) 6.074 6.345 ( 2.340 -0.822 0.000) 2.480 6.417 ( -7.493 0.371 -0.000) 7.503 6.556 ( -9.968 1.226 -0.000) 10.043 6.618 ( 3.450 0.204 -0.000) 3.456 6.658 ( 2.130 3.586 -0.000) 4.171 6.776 ( 1.683 2.370 -0.000) 2.907 6.941 ( 0.422 -0.569 0.000) 0.708 6.999 ( -0.089 4.060 -0.000) 4.061 7.100 ( -10.437 4.185 -0.000) 11.245 7.169 ( 0.348 4.602 -0.000) 4.616 7.277 ( 0.333 2.742 -0.000) 2.762 7.433 ( 4.869 -2.350 0.000) 5.407 7.449 ( 0.392 -4.279 0.000) 4.297 7.534 ( -2.073 4.706 -0.000) 5.142 7.593 ( 2.963 -0.988 0.000) 3.124 7.713 ( 0.888 0.285 -0.000) 0.933 7.831 ( 0.167 0.336 -0.000) 0.375 7.919 ( 4.744 -1.789 0.000) 5.070 8.051 ( -0.105 -4.066 0.000) 4.067 8.167 ( 0.338 1.228 -0.000) 1.274 8.413 ( -3.051 -5.335 0.000) 6.146 8.551 ( 1.490 -1.282 0.000) 1.966 8.588 ( -1.602 0.550 -0.000) 1.694 8.866 ( -0.199 1.816 -0.000) 1.827 9.021 ( -2.022 -0.965 0.000) 2.241 9.052 ( 1.575 -4.014 0.000) 4.311 9.119 ( -3.722 -0.221 0.000) 3.729 9.243 ( 1.744 1.730 -0.000) 2.456 9.382 ( 0.445 3.020 -0.000) 3.053 9.637 ( -1.916 -6.253 0.000) 6.540 9.710 ( 3.644 1.378 -0.000) 3.896 9.853 ( -7.069 -4.716 0.000) 8.497 9.976 ( -0.760 -3.302 0.000) 3.389 10.105 ( -7.775 0.753 -0.000) 7.811 10.322 ( -0.536 -7.266 0.000) 7.286 10.904 ( 13.129 7.518 -0.000) 15.129 11.238 ( 1.675 18.270 -0.000) 18.346 16.522 ( 1.702 -1.696 0.000) 2.403 16.637 ( -1.122 -2.047 0.000) 2.335 17.055 ( 1.054 2.352 -0.000) 2.578 17.123 ( 3.374 1.267 -0.000) 3.604 17.147 ( -0.400 1.523 -0.000) 1.575 17.497 ( -6.873 -0.664 0.000) 6.905 17.735 ( 5.428 0.313 -0.000) 5.437 17.820 ( 0.763 1.428 -0.000) 1.619 17.892 ( -0.344 -0.726 0.000) 0.803 18.016 ( -2.836 5.121 -0.000) 5.854 18.052 ( 0.035 3.727 -0.000) 3.727 18.120 ( -1.971 2.737 -0.000) 3.373 21.034 ( 1.294 -6.438 0.000) 6.567 21.226 ( -3.953 -1.779 0.000) 4.335 21.596 ( -0.046 1.718 -0.000) 1.718 21.625 ( -0.758 1.571 -0.000) 1.745 22.143 ( 2.584 0.631 -0.000) 2.659 22.276 ( -1.178 0.925 -0.000) 1.497 26.747 ( 0.676 -1.284 0.000) 1.451 26.785 ( -0.476 -0.311 0.000) 0.568 27.149 ( -0.777 -0.513 0.000) 0.931 27.210 ( -1.739 1.013 -0.000) 2.013 27.384 ( 1.580 -1.139 0.000) 1.948 27.470 ( -0.904 -0.941 0.000) 1.305 34.786 ( 5.149 1.731 -0.000) 5.432 34.811 ( 2.695 2.081 -0.000) 3.405 36.080 ( 2.378 8.340 -0.000) 8.672 36.300 ( -3.003 2.274 -0.000) 3.767 37.327 ( 6.298 1.206 -0.000) 6.412 37.653 ( -0.416 0.946 -0.000) 1.033 38.088 ( -1.259 -4.828 0.000) 4.990 38.188 ( 3.043 -3.609 0.000) 4.721 38.413 ( -7.656 -1.337 0.000) 7.772 38.491 ( -2.934 -2.062 0.000) 3.586 39.074 ( 7.972 -4.855 0.000) 9.334 39.622 ( -7.362 -1.269 0.000) 7.471 ======================= Grid point 172 (69/75) ======================= q-point: ( 0.40 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 18.591 5.777 -0.000) 19.468 2.035 ( 0.196 -1.397 0.000) 1.411 2.611 ( 6.317 -22.891 0.000) 23.747 2.674 ( 5.272 -19.156 0.000) 19.868 2.878 ( -8.675 -14.773 0.000) 17.132 2.972 ( -13.385 -5.019 0.000) 14.295 3.545 ( 7.343 -9.004 0.000) 11.619 3.682 ( -5.408 -9.031 0.000) 10.527 3.896 ( 8.724 -7.926 0.000) 11.787 4.020 ( 2.696 -6.347 0.000) 6.896 4.049 ( 7.297 11.156 -0.000) 13.330 4.197 ( -0.282 -4.999 0.000) 5.007 4.358 ( 0.200 -3.747 0.000) 3.752 4.503 ( -7.284 -8.905 0.000) 11.505 4.696 ( 3.697 -5.413 0.000) 6.555 4.782 ( -4.276 -0.632 0.000) 4.322 4.959 ( 3.239 -11.986 0.000) 12.416 5.014 ( -2.697 -3.130 0.000) 4.132 5.222 ( 5.777 -5.587 0.000) 8.037 5.244 ( 7.191 3.879 -0.000) 8.171 5.396 ( -4.955 0.264 -0.000) 4.962 5.432 ( 15.228 2.902 -0.000) 15.502 5.561 ( -9.965 3.180 -0.000) 10.461 5.711 ( -6.123 3.173 -0.000) 6.896 5.850 ( 0.082 1.215 -0.000) 1.218 5.903 ( -7.469 2.388 -0.000) 7.842 5.974 ( 3.491 -0.235 0.000) 3.498 6.010 ( 6.048 -1.593 0.000) 6.255 6.033 ( -1.134 -2.027 0.000) 2.323 6.243 ( -10.836 -6.044 0.000) 12.407 6.361 ( 0.692 -0.652 0.000) 0.951 6.419 ( -5.660 2.447 -0.000) 6.167 6.667 ( 1.548 2.278 -0.000) 2.754 6.692 ( -0.759 2.408 -0.000) 2.525 6.851 ( 6.515 7.186 -0.000) 9.700 6.933 ( -2.503 5.522 -0.000) 6.063 6.975 ( 0.713 4.241 -0.000) 4.300 6.996 ( -0.874 3.077 -0.000) 3.198 7.235 ( 4.497 0.830 -0.000) 4.573 7.271 ( -0.302 0.142 -0.000) 0.333 7.367 ( -4.569 -3.846 0.000) 5.973 7.407 ( -6.428 -1.296 0.000) 6.557 7.593 ( 6.645 -1.379 0.000) 6.787 7.678 ( 4.741 -0.226 0.000) 4.747 7.708 ( -3.781 -0.098 0.000) 3.783 7.759 ( -4.184 -1.327 0.000) 4.389 8.027 ( 6.352 0.940 -0.000) 6.421 8.123 ( 0.136 -5.492 0.000) 5.493 8.158 ( 3.403 2.704 -0.000) 4.347 8.291 ( -8.323 1.326 -0.000) 8.428 8.550 ( 2.622 0.052 -0.000) 2.622 8.614 ( -1.782 1.327 -0.000) 2.221 8.867 ( 2.413 -2.147 0.000) 3.230 8.947 ( -4.741 -2.993 0.000) 5.606 9.082 ( 1.394 -3.327 0.000) 3.608 9.096 ( -0.009 -2.415 0.000) 2.415 9.309 ( 3.781 1.605 -0.000) 4.108 9.363 ( -1.960 1.377 -0.000) 2.396 9.606 ( -0.292 -4.960 0.000) 4.968 9.665 ( -6.643 -2.569 0.000) 7.122 9.823 ( 5.679 0.473 -0.000) 5.699 9.949 ( -7.242 -0.376 0.000) 7.252 10.079 ( 7.587 -6.250 0.000) 9.830 10.234 ( -7.691 -8.948 0.000) 11.799 11.133 ( 9.644 14.133 -0.000) 17.110 11.245 ( -2.138 18.746 -0.000) 18.868 16.563 ( 2.399 -1.684 0.000) 2.931 16.606 ( -2.056 -1.823 0.000) 2.748 17.082 ( 1.719 2.068 -0.000) 2.689 17.116 ( -1.707 1.910 -0.000) 2.562 17.229 ( 6.471 -0.011 0.000) 6.471 17.362 ( -7.261 -0.837 0.000) 7.309 17.827 ( 3.371 2.148 -0.000) 3.997 17.842 ( 1.504 0.890 -0.000) 1.747 17.884 ( 0.251 0.147 -0.000) 0.290 17.945 ( -4.367 3.748 -0.000) 5.754 18.058 ( 0.729 3.343 -0.000) 3.422 18.082 ( -1.754 2.803 -0.000) 3.306 21.073 ( 2.844 -6.060 0.000) 6.694 21.142 ( -4.334 -4.703 0.000) 6.395 21.599 ( 0.394 1.935 -0.000) 1.974 21.610 ( -0.720 1.883 -0.000) 2.016 22.197 ( 2.816 1.115 -0.000) 3.029 22.244 ( -2.146 1.071 -0.000) 2.398 26.761 ( 0.758 -0.998 0.000) 1.253 26.774 ( -0.643 -0.624 0.000) 0.895 27.146 ( 0.692 0.000 -0.000) 0.692 27.173 ( -1.957 0.524 -0.000) 2.025 27.417 ( 1.702 -1.037 0.000) 1.993 27.447 ( -1.463 -0.980 0.000) 1.761 34.864 ( 2.105 2.788 -0.000) 3.494 34.866 ( 2.266 3.439 -0.000) 4.118 36.143 ( 4.134 7.527 -0.000) 8.588 36.227 ( -4.442 5.241 -0.000) 6.871 37.477 ( 8.589 0.723 -0.000) 8.619 37.611 ( -4.731 0.679 -0.000) 4.780 38.096 ( 2.640 -4.220 0.000) 4.978 38.183 ( -5.104 -3.936 0.000) 6.445 38.337 ( 2.219 -0.044 0.000) 2.220 38.416 ( -4.676 -1.401 0.000) 4.882 39.250 ( 10.135 -5.565 0.000) 11.563 39.447 ( -10.376 -4.332 0.000) 11.244 ======================= Grid point 205 (70/75) ======================= q-point: ( 0.00 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.000 0.000 -0.481) 0.481 2.081 ( 0.000 0.000 -6.383) 6.383 2.836 ( 0.000 0.000 -7.143) 7.143 3.024 ( 0.000 -0.000 3.552) 3.552 3.272 ( 0.000 0.000 -6.756) 6.756 3.388 ( 0.000 -0.000 3.758) 3.758 3.466 ( 0.000 -0.000 1.190) 1.190 3.717 ( 0.000 0.000 -6.689) 6.689 3.767 ( 0.000 0.000 -1.845) 1.845 4.019 ( 0.000 0.000 -8.383) 8.383 4.295 ( 0.000 -0.000 10.372) 10.372 4.409 ( 0.000 0.000 -5.592) 5.592 4.413 ( 0.000 0.000 -1.979) 1.979 4.551 ( 0.000 -0.000 0.429) 0.429 4.690 ( 0.000 -0.000 1.581) 1.581 4.867 ( 0.000 0.000 -4.158) 4.158 4.873 ( 0.000 0.000 -4.499) 4.499 4.943 ( 0.000 0.000 -1.034) 1.034 4.945 ( 0.000 0.000 -0.685) 0.685 5.224 ( 0.000 -0.000 0.515) 0.515 5.231 ( 0.000 0.000 -5.546) 5.546 5.482 ( 0.000 -0.000 13.439) 13.439 5.688 ( 0.000 -0.000 6.677) 6.677 5.714 ( 0.000 0.000 -3.750) 3.750 5.862 ( 0.000 0.000 -4.496) 4.496 5.957 ( 0.000 0.000 -4.202) 4.202 5.982 ( 0.000 -0.000 1.443) 1.443 6.171 ( 0.000 -0.000 0.655) 0.655 6.252 ( 0.000 0.000 -2.820) 2.820 6.290 ( 0.000 -0.000 3.995) 3.995 6.358 ( 0.000 0.000 -2.840) 2.840 6.425 ( 0.000 -0.000 5.770) 5.770 6.636 ( 0.000 0.000 -0.493) 0.493 6.652 ( 0.000 0.000 -4.717) 4.717 6.839 ( 0.000 0.000 -5.660) 5.660 6.966 ( 0.000 0.000 -0.751) 0.751 7.023 ( 0.000 0.000 -3.216) 3.216 7.060 ( 0.000 0.000 -0.859) 0.859 7.160 ( 0.000 0.000 -2.729) 2.729 7.283 ( 0.000 0.000 -2.606) 2.606 7.403 ( 0.000 0.000 -6.662) 6.662 7.440 ( 0.000 -0.000 2.705) 2.705 7.480 ( 0.000 0.000 -3.274) 3.274 7.684 ( 0.000 0.000 -6.012) 6.012 7.693 ( 0.000 0.000 -4.643) 4.643 7.869 ( 0.000 -0.000 5.753) 5.753 7.976 ( 0.000 0.000 -2.825) 2.825 8.086 ( 0.000 0.000 -1.390) 1.390 8.111 ( 0.000 -0.000 0.425) 0.425 8.462 ( 0.000 -0.000 3.395) 3.395 8.533 ( 0.000 -0.000 4.461) 4.461 8.611 ( 0.000 -0.000 18.668) 18.668 8.705 ( 0.000 -0.000 2.129) 2.129 8.893 ( 0.000 -0.000 13.991) 13.991 8.895 ( 0.000 -0.000 12.998) 12.998 9.204 ( 0.000 -0.000 1.356) 1.356 9.216 ( 0.000 0.000 -3.219) 3.219 9.307 ( 0.000 0.000 -1.798) 1.798 9.559 ( 0.000 -0.000 7.123) 7.123 9.797 ( 0.000 0.000 -3.729) 3.729 10.101 ( 0.000 0.000 -7.117) 7.117 10.157 ( 0.000 0.000 -1.757) 1.757 10.245 ( 0.000 0.000 -8.403) 8.403 10.533 ( 0.000 0.000 -10.422) 10.422 10.647 ( 0.000 -0.000 2.857) 2.857 10.913 ( 0.000 0.000 -3.566) 3.566 16.536 ( 0.000 0.000 -0.044) 0.044 16.680 ( 0.000 -0.000 0.081) 0.081 17.013 ( 0.000 0.000 -1.503) 1.503 17.104 ( 0.000 0.000 -4.484) 4.484 17.138 ( 0.000 0.000 -0.952) 0.952 17.564 ( 0.000 0.000 -1.004) 1.004 17.680 ( 0.000 -0.000 3.816) 3.816 17.830 ( 0.000 -0.000 1.463) 1.463 17.855 ( 0.000 -0.000 5.406) 5.406 17.867 ( 0.000 -0.000 1.308) 1.308 17.993 ( 0.000 -0.000 2.596) 2.596 18.067 ( 0.000 -0.000 2.299) 2.299 21.143 ( 0.000 -0.000 2.436) 2.436 21.191 ( 0.000 -0.000 3.991) 3.991 21.583 ( 0.000 0.000 -1.181) 1.181 21.624 ( 0.000 0.000 -1.680) 1.680 22.114 ( 0.000 -0.000 0.008) 0.008 22.272 ( 0.000 -0.000 0.296) 0.296 26.768 ( 0.000 0.000 -0.511) 0.511 26.786 ( 0.000 -0.000 0.373) 0.373 27.176 ( 0.000 0.000 -0.797) 0.797 27.215 ( 0.000 0.000 -0.588) 0.588 27.393 ( 0.000 0.000 -0.552) 0.552 27.500 ( 0.000 0.000 -0.548) 0.548 34.733 ( 0.000 0.000 -0.306) 0.306 34.744 ( 0.000 -0.000 0.593) 0.593 35.931 ( 0.000 0.000 -0.790) 0.790 36.314 ( 0.000 -0.000 1.438) 1.438 37.226 ( 0.000 -0.000 1.880) 1.880 37.706 ( 0.000 0.000 -7.060) 7.060 38.102 ( 0.000 -0.000 8.336) 8.336 38.292 ( 0.000 0.000 -8.619) 8.619 38.461 ( 0.000 -0.000 7.507) 7.507 38.498 ( 0.000 -0.000 5.172) 5.172 39.183 ( 0.000 0.000 -13.823) 13.823 39.738 ( 0.000 0.000 -5.262) 5.262 ======================= Grid point 207 (71/75) ======================= q-point: ( 0.20 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 22.818 0.000 -1.045) 22.842 2.081 ( 0.239 0.000 -5.617) 5.622 2.957 ( -6.008 -0.000 4.982) 7.805 3.065 ( 17.191 0.000 -2.930) 17.439 3.229 ( -2.610 0.000 -4.624) 5.310 3.333 ( -3.780 0.000 -1.439) 4.045 3.467 ( -1.965 0.000 -3.050) 3.628 3.736 ( 3.452 0.000 -8.015) 8.727 3.758 ( 1.659 0.000 -2.712) 3.180 4.027 ( -1.032 0.000 -7.842) 7.910 4.271 ( -9.302 -0.000 0.945) 9.350 4.291 ( -4.710 -0.000 0.178) 4.714 4.454 ( 8.427 -0.000 7.180) 11.071 4.610 ( 2.037 0.000 -3.998) 4.487 4.776 ( 4.318 -0.000 2.279) 4.883 4.857 ( -4.651 -0.000 0.608) 4.690 4.879 ( 4.027 -0.000 0.497) 4.058 4.946 ( 7.061 0.000 -3.504) 7.882 5.023 ( 4.036 0.000 -1.323) 4.248 5.186 ( -2.644 -0.000 2.850) 3.888 5.306 ( 5.760 0.000 -6.192) 8.457 5.474 ( -0.747 -0.000 11.666) 11.690 5.675 ( 2.324 -0.000 0.343) 2.350 5.812 ( 5.901 0.000 -0.275) 5.907 5.820 ( -3.392 0.000 -2.225) 4.057 5.942 ( -4.707 0.000 -4.085) 6.232 5.963 ( 0.153 0.000 -3.899) 3.902 6.133 ( -6.465 0.000 -2.816) 7.052 6.179 ( -1.632 -0.000 0.262) 1.653 6.266 ( 1.237 -0.000 4.901) 5.055 6.471 ( 5.167 0.000 -1.173) 5.298 6.498 ( 2.915 -0.000 2.748) 4.006 6.589 ( -3.746 0.000 -1.320) 3.972 6.656 ( 1.734 0.000 -2.087) 2.713 6.794 ( -3.918 0.000 -5.368) 6.646 6.824 ( -9.223 0.000 -4.027) 10.064 6.976 ( -7.110 0.000 -1.644) 7.298 7.016 ( -1.203 0.000 -3.289) 3.502 7.216 ( -5.271 0.000 -6.159) 8.106 7.247 ( 2.060 -0.000 1.539) 2.571 7.340 ( 5.499 0.000 -0.382) 5.512 7.506 ( 2.049 0.000 -2.012) 2.872 7.535 ( -1.352 -0.000 2.077) 2.478 7.682 ( 0.568 0.000 -3.499) 3.544 7.712 ( 2.614 0.000 -5.712) 6.282 7.878 ( -2.017 -0.000 1.595) 2.571 7.944 ( 2.240 -0.000 0.659) 2.335 8.124 ( 0.919 -0.000 0.784) 1.208 8.146 ( 3.315 0.000 -4.963) 5.968 8.459 ( -7.933 -0.000 6.795) 10.445 8.518 ( 4.854 -0.000 4.841) 6.856 8.588 ( -4.389 -0.000 3.930) 5.891 8.697 ( 4.323 -0.000 10.228) 11.104 8.902 ( 0.396 -0.000 11.892) 11.899 8.960 ( 4.892 -0.000 13.738) 14.583 9.133 ( -5.069 0.000 -0.248) 5.076 9.254 ( 1.877 -0.000 0.289) 1.899 9.273 ( -3.213 -0.000 0.853) 3.324 9.562 ( 0.209 -0.000 9.118) 9.120 9.784 ( -1.733 0.000 -4.131) 4.479 10.055 ( -5.225 0.000 -7.619) 9.239 10.169 ( 5.647 0.000 -9.194) 10.790 10.173 ( -5.966 0.000 -9.288) 11.039 10.654 ( 9.142 0.000 -4.194) 10.058 10.686 ( 0.512 -0.000 2.239) 2.297 10.856 ( -3.867 0.000 -3.220) 5.032 16.551 ( 1.498 -0.000 0.023) 1.498 16.666 ( -1.368 -0.000 0.116) 1.372 17.026 ( 1.303 0.000 -1.459) 1.956 17.124 ( -0.767 0.000 -1.610) 1.783 17.152 ( 4.168 0.000 -3.711) 5.580 17.512 ( -4.768 0.000 -1.356) 4.958 17.709 ( 2.428 -0.000 3.779) 4.492 17.828 ( -0.297 -0.000 1.854) 1.878 17.855 ( -0.110 -0.000 4.913) 4.914 17.863 ( -0.376 -0.000 1.372) 1.423 17.984 ( -0.666 -0.000 2.522) 2.609 18.052 ( -1.477 -0.000 2.371) 2.794 21.147 ( 0.383 -0.000 2.572) 2.600 21.185 ( -0.545 -0.000 3.849) 3.887 21.581 ( -0.131 0.000 -1.339) 1.345 21.612 ( -1.092 0.000 -1.815) 2.118 22.134 ( 1.933 -0.000 0.120) 1.937 22.260 ( -1.269 -0.000 0.308) 1.306 26.772 ( 0.351 0.000 -0.361) 0.503 26.784 ( -0.178 -0.000 0.328) 0.373 27.162 ( -1.005 0.000 -0.871) 1.330 27.202 ( -1.264 0.000 -0.658) 1.425 27.408 ( 1.432 0.000 -0.526) 1.525 27.491 ( -0.893 0.000 -0.538) 1.042 34.763 ( 2.760 0.000 -0.131) 2.764 34.773 ( 2.585 -0.000 0.554) 2.644 35.958 ( 2.830 0.000 -0.602) 2.893 36.266 ( -4.762 -0.000 1.180) 4.906 37.297 ( 7.050 -0.000 1.721) 7.257 37.698 ( -1.198 0.000 -6.061) 6.178 38.119 ( 1.559 -0.000 7.793) 7.948 38.294 ( 0.514 0.000 -7.649) 7.666 38.361 ( -8.402 -0.000 6.522) 10.636 38.477 ( -2.711 -0.000 3.727) 4.608 39.260 ( 7.109 0.000 -11.849) 13.817 39.693 ( -4.669 0.000 -5.814) 7.457 ======================= Grid point 209 (72/75) ======================= q-point: ( 0.40 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 22.228 0.000 -2.121) 22.329 2.053 ( -5.674 0.000 -3.650) 6.747 2.859 ( -2.149 -0.000 5.652) 6.047 2.954 ( -11.913 -0.000 4.801) 12.844 3.317 ( 2.136 0.000 -8.129) 8.405 3.388 ( -4.924 0.000 -8.131) 9.505 3.575 ( 22.015 0.000 -6.153) 22.858 3.811 ( -0.495 0.000 -3.781) 3.813 3.852 ( 7.837 0.000 -5.863) 9.787 3.957 ( -4.632 0.000 -5.067) 6.865 4.114 ( -6.240 0.000 -1.082) 6.333 4.143 ( -8.958 0.000 -4.083) 9.844 4.647 ( 8.572 -0.000 8.209) 11.868 4.656 ( 3.243 0.000 -1.867) 3.742 4.762 ( -4.630 -0.000 3.917) 6.064 4.781 ( -2.634 -0.000 6.457) 6.974 4.986 ( 6.714 0.000 -1.480) 6.875 5.102 ( 0.968 -0.000 1.424) 1.722 5.104 ( 5.749 -0.000 5.930) 8.259 5.115 ( -2.585 -0.000 4.049) 4.804 5.417 ( 5.003 0.000 -5.544) 7.468 5.463 ( -0.387 -0.000 3.486) 3.508 5.740 ( 3.025 0.000 -3.996) 5.012 5.762 ( -1.753 0.000 -4.687) 5.004 5.831 ( -4.434 -0.000 0.331) 4.446 5.837 ( -4.937 0.000 -2.890) 5.721 6.029 ( 6.430 0.000 -1.899) 6.705 6.100 ( 5.953 0.000 -3.480) 6.895 6.112 ( -4.258 0.000 -3.012) 5.216 6.278 ( -4.038 -0.000 4.622) 6.138 6.424 ( -4.116 0.000 -1.704) 4.455 6.435 ( -6.399 0.000 -3.421) 7.256 6.632 ( 4.396 0.000 -3.197) 5.435 6.694 ( -1.919 0.000 -3.487) 3.980 6.721 ( -2.013 0.000 -4.867) 5.267 6.727 ( -1.991 0.000 -3.812) 4.300 6.884 ( 3.013 -0.000 0.213) 3.021 6.978 ( -3.790 -0.000 0.194) 3.795 7.234 ( 3.941 0.000 -0.568) 3.982 7.264 ( 0.594 -0.000 1.189) 1.329 7.405 ( 0.704 -0.000 1.421) 1.586 7.448 ( -5.187 -0.000 0.827) 5.253 7.561 ( 4.491 0.000 -0.796) 4.561 7.654 ( -4.070 -0.000 0.231) 4.076 7.784 ( 4.016 0.000 -4.807) 6.264 7.837 ( -1.734 0.000 -2.540) 3.076 8.028 ( 5.077 -0.000 1.589) 5.320 8.114 ( -2.847 -0.000 2.901) 4.064 8.193 ( 2.384 0.000 -4.779) 5.341 8.278 ( -7.905 0.000 -1.345) 8.019 8.567 ( 1.290 -0.000 1.446) 1.938 8.584 ( 0.954 -0.000 3.393) 3.524 8.793 ( 5.028 -0.000 11.074) 12.162 8.877 ( -3.514 -0.000 10.007) 10.606 9.050 ( 4.168 -0.000 11.358) 12.099 9.078 ( -0.072 -0.000 4.981) 4.981 9.209 ( -2.504 -0.000 5.155) 5.731 9.234 ( -3.869 -0.000 6.085) 7.211 9.606 ( 5.176 -0.000 3.979) 6.529 9.718 ( -5.288 0.000 -2.224) 5.736 10.013 ( 0.800 0.000 -12.757) 12.782 10.067 ( -4.568 0.000 -11.587) 12.455 10.330 ( 10.905 0.000 -7.844) 13.433 10.555 ( -11.742 0.000 -4.593) 12.609 10.800 ( 5.394 -0.000 0.782) 5.451 10.845 ( 0.254 -0.000 1.750) 1.769 16.588 ( 2.279 -0.000 0.142) 2.284 16.631 ( -2.214 -0.000 0.172) 2.220 17.059 ( 1.981 0.000 -1.354) 2.400 17.096 ( -1.873 0.000 -1.251) 2.253 17.264 ( 7.011 0.000 -3.604) 7.883 17.399 ( -6.871 0.000 -2.541) 7.326 17.760 ( 2.853 -0.000 3.989) 4.904 17.809 ( -1.993 -0.000 3.546) 4.068 17.852 ( -0.009 -0.000 2.740) 2.740 17.856 ( -0.361 -0.000 1.649) 1.688 17.985 ( 0.982 -0.000 2.538) 2.721 18.016 ( -2.056 -0.000 2.522) 3.254 21.157 ( 0.700 -0.000 2.951) 3.033 21.172 ( -0.803 -0.000 3.450) 3.542 21.581 ( 0.204 0.000 -1.680) 1.692 21.591 ( -0.905 0.000 -1.902) 2.106 22.179 ( 2.600 -0.000 0.276) 2.614 22.226 ( -2.234 -0.000 0.324) 2.258 26.778 ( 0.212 0.000 -0.051) 0.218 26.781 ( -0.151 -0.000 0.193) 0.245 27.154 ( 0.314 0.000 -0.924) 0.975 27.173 ( -1.530 0.000 -0.815) 1.734 27.439 ( 1.646 0.000 -0.506) 1.722 27.468 ( -1.432 0.000 -0.517) 1.522 34.813 ( 1.833 -0.000 0.190) 1.843 34.817 ( 1.442 -0.000 0.424) 1.503 36.037 ( 5.412 0.000 -0.084) 5.413 36.154 ( -6.535 -0.000 0.589) 6.562 37.467 ( 10.064 -0.000 0.563) 10.080 37.633 ( -6.334 0.000 -2.761) 6.910 38.149 ( 1.761 -0.000 5.009) 5.309 38.213 ( -5.810 -0.000 4.422) 7.302 38.328 ( 3.238 0.000 -3.205) 4.556 38.405 ( -4.447 -0.000 1.266) 4.623 39.415 ( 8.660 0.000 -9.257) 12.676 39.573 ( -7.669 0.000 -7.256) 10.558 ======================= Grid point 215 (73/75) ======================= q-point: ( 0.00 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 2.955 -0.000) 2.955 2.023 ( 0.000 -0.555 0.000) 0.555 2.680 ( 0.000 -17.331 0.000) 17.331 3.003 ( 0.000 -13.230 0.000) 13.230 3.190 ( 0.000 -4.226 0.000) 4.226 3.390 ( 0.000 -7.917 0.000) 7.917 3.545 ( 0.000 11.175 -0.000) 11.175 3.608 ( 0.000 -3.414 0.000) 3.414 3.760 ( 0.000 3.452 -0.000) 3.452 4.017 ( 0.000 14.666 -0.000) 14.666 4.250 ( 0.000 -20.810 0.000) 20.810 4.370 ( 0.000 -5.112 0.000) 5.112 4.380 ( 0.000 -4.312 0.000) 4.312 4.562 ( 0.000 0.859 -0.000) 0.859 4.698 ( 0.000 0.267 -0.000) 0.267 4.782 ( 0.000 -7.363 0.000) 7.363 4.841 ( 0.000 2.726 -0.000) 2.726 4.934 ( 0.000 -0.694 0.000) 0.694 5.007 ( 0.000 9.294 -0.000) 9.294 5.189 ( 0.000 5.786 -0.000) 5.786 5.195 ( 0.000 -6.857 0.000) 6.857 5.556 ( 0.000 -9.523 0.000) 9.523 5.740 ( 0.000 -7.286 0.000) 7.286 5.754 ( 0.000 7.749 -0.000) 7.749 5.851 ( 0.000 2.697 -0.000) 2.697 5.893 ( 0.000 1.340 -0.000) 1.340 5.921 ( 0.000 -1.562 0.000) 1.562 6.201 ( 0.000 -5.578 0.000) 5.578 6.229 ( 0.000 -0.536 0.000) 0.536 6.267 ( 0.000 -1.780 0.000) 1.780 6.429 ( 0.000 10.457 -0.000) 10.457 6.482 ( 0.000 1.179 -0.000) 1.179 6.585 ( 0.000 -2.065 0.000) 2.065 6.681 ( 0.000 5.584 -0.000) 5.584 6.768 ( 0.000 -2.122 0.000) 2.122 6.953 ( 0.000 -0.772 0.000) 0.772 6.964 ( 0.000 -3.173 0.000) 3.173 7.092 ( 0.000 7.473 -0.000) 7.473 7.178 ( 0.000 4.681 -0.000) 4.681 7.249 ( 0.000 0.556 -0.000) 0.556 7.311 ( 0.000 -2.779 0.000) 2.779 7.456 ( 0.000 1.578 -0.000) 1.578 7.487 ( 0.000 2.591 -0.000) 2.591 7.607 ( 0.000 -4.265 0.000) 4.265 7.658 ( 0.000 1.491 -0.000) 1.491 7.921 ( 0.000 -0.102 0.000) 0.102 7.929 ( 0.000 -6.212 0.000) 6.212 8.078 ( 0.000 1.599 -0.000) 1.599 8.120 ( 0.000 0.985 -0.000) 0.985 8.496 ( 0.000 0.025 -0.000) 0.025 8.554 ( 0.000 -2.975 0.000) 2.975 8.715 ( 0.000 -3.437 0.000) 3.437 8.805 ( 0.000 2.042 -0.000) 2.042 9.029 ( 0.000 0.431 -0.000) 0.431 9.069 ( 0.000 2.787 -0.000) 2.787 9.165 ( 0.000 -6.822 0.000) 6.822 9.205 ( 0.000 3.828 -0.000) 3.828 9.280 ( 0.000 4.327 -0.000) 4.327 9.638 ( 0.000 0.752 -0.000) 0.752 9.749 ( 0.000 -2.393 0.000) 2.393 9.991 ( 0.000 -4.170 0.000) 4.170 10.151 ( 0.000 0.123 -0.000) 0.123 10.173 ( 0.000 -0.707 0.000) 0.707 10.382 ( 0.000 -7.219 0.000) 7.219 10.685 ( 0.000 2.429 -0.000) 2.429 10.933 ( 0.000 11.471 -0.000) 11.471 16.531 ( 0.000 -0.772 0.000) 0.772 16.677 ( 0.000 -0.775 0.000) 0.775 17.006 ( 0.000 1.166 -0.000) 1.166 17.067 ( 0.000 0.474 -0.000) 0.474 17.133 ( 0.000 0.553 -0.000) 0.553 17.560 ( 0.000 1.195 -0.000) 1.195 17.706 ( 0.000 -1.552 0.000) 1.552 17.816 ( 0.000 -2.743 0.000) 2.743 17.904 ( 0.000 -0.125 0.000) 0.125 17.923 ( 0.000 6.054 -0.000) 6.054 18.019 ( 0.000 0.408 -0.000) 0.408 18.095 ( 0.000 1.472 -0.000) 1.472 21.137 ( 0.000 -4.728 0.000) 4.728 21.243 ( 0.000 2.113 -0.000) 2.113 21.575 ( 0.000 0.622 -0.000) 0.622 21.611 ( 0.000 0.753 -0.000) 0.753 22.114 ( 0.000 0.018 -0.000) 0.018 22.276 ( 0.000 0.311 -0.000) 0.311 26.760 ( 0.000 -0.660 0.000) 0.660 26.790 ( 0.000 0.083 -0.000) 0.083 27.168 ( 0.000 -0.170 0.000) 0.170 27.211 ( 0.000 0.436 -0.000) 0.436 27.385 ( 0.000 -0.526 0.000) 0.526 27.492 ( 0.000 -0.397 0.000) 0.397 34.730 ( 0.000 -0.113 0.000) 0.113 34.755 ( 0.000 0.849 -0.000) 0.849 35.940 ( 0.000 3.140 -0.000) 3.140 36.328 ( 0.000 -0.132 0.000) 0.132 37.243 ( 0.000 0.558 -0.000) 0.558 37.641 ( 0.000 0.327 -0.000) 0.327 38.176 ( 0.000 -1.655 0.000) 1.655 38.204 ( 0.000 -1.984 0.000) 1.984 38.528 ( 0.000 0.147 -0.000) 0.147 38.556 ( 0.000 -1.357 0.000) 1.357 39.037 ( 0.000 -1.384 0.000) 1.384 39.687 ( 0.000 0.302 -0.000) 0.302 ======================= Grid point 216 (74/75) ======================= q-point: ( 0.20 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 22.394 3.176 -0.000) 22.618 2.030 ( 1.166 -0.443 0.000) 1.248 2.907 ( 18.547 -21.563 0.000) 28.442 2.967 ( -3.397 -11.301 0.000) 11.801 3.157 ( -2.250 -4.255 0.000) 4.813 3.314 ( -11.134 -3.979 0.000) 11.824 3.537 ( -1.633 16.850 -0.000) 16.929 3.589 ( 3.426 -7.691 0.000) 8.419 3.752 ( 2.803 1.825 -0.000) 3.345 4.000 ( -3.417 8.805 -0.000) 9.445 4.220 ( -6.102 -8.862 0.000) 10.760 4.302 ( -4.342 -1.802 0.000) 4.701 4.479 ( 7.551 -11.152 0.000) 13.468 4.575 ( 5.038 -0.558 0.000) 5.069 4.733 ( -0.184 -6.608 0.000) 6.610 4.817 ( 0.764 -2.645 0.000) 2.753 4.915 ( 11.795 -0.171 0.000) 11.796 4.977 ( 1.156 2.857 -0.000) 3.082 5.035 ( 4.359 13.994 -0.000) 14.657 5.191 ( 1.570 -3.801 0.000) 4.113 5.241 ( 3.468 -3.383 0.000) 4.845 5.578 ( 1.904 -4.531 0.000) 4.915 5.669 ( -4.573 -2.383 0.000) 5.156 5.797 ( -0.129 1.400 -0.000) 1.405 5.847 ( -4.573 -1.669 0.000) 4.868 5.873 ( 2.816 -0.146 0.000) 2.820 5.899 ( -0.707 2.929 -0.000) 3.013 6.104 ( -5.741 -2.794 0.000) 6.385 6.187 ( -5.183 -1.114 0.000) 5.301 6.330 ( 2.416 1.556 -0.000) 2.874 6.440 ( 2.397 -2.783 0.000) 3.673 6.541 ( 0.406 4.697 -0.000) 4.714 6.595 ( -4.466 2.059 -0.000) 4.918 6.619 ( -1.593 -4.818 0.000) 5.074 6.719 ( 1.263 0.258 -0.000) 1.289 6.863 ( -7.387 9.485 -0.000) 12.022 6.944 ( -3.310 -0.640 0.000) 3.372 7.020 ( -6.039 5.681 -0.000) 8.291 7.139 ( -1.497 -2.800 0.000) 3.175 7.260 ( 1.019 -0.369 0.000) 1.083 7.370 ( 8.858 5.290 -0.000) 10.317 7.489 ( 2.719 -1.070 0.000) 2.922 7.551 ( -3.438 -1.757 0.000) 3.860 7.622 ( 3.393 -2.396 0.000) 4.154 7.671 ( 2.760 2.667 -0.000) 3.838 7.871 ( -4.619 -1.989 0.000) 5.029 7.951 ( 2.627 -1.238 0.000) 2.904 8.096 ( 2.410 -1.848 0.000) 3.037 8.141 ( 1.427 1.685 -0.000) 2.208 8.513 ( -7.199 -3.405 0.000) 7.963 8.564 ( 4.004 0.298 -0.000) 4.015 8.581 ( -6.745 0.089 -0.000) 6.746 8.836 ( 2.957 0.478 -0.000) 2.995 9.027 ( -0.232 -0.209 0.000) 0.312 9.102 ( 0.241 -0.853 0.000) 0.886 9.162 ( -1.230 2.512 -0.000) 2.797 9.190 ( 2.696 -4.405 0.000) 5.164 9.304 ( 1.397 5.031 -0.000) 5.221 9.692 ( 4.787 0.400 -0.000) 4.804 9.729 ( -1.924 -2.377 0.000) 3.058 9.934 ( -13.640 -2.157 0.000) 13.809 10.050 ( 5.674 -3.686 0.000) 6.766 10.093 ( -7.326 0.361 -0.000) 7.335 10.518 ( 4.728 -12.614 0.000) 13.471 10.762 ( 6.186 7.081 -0.000) 9.402 10.902 ( -1.184 14.234 -0.000) 14.283 16.547 ( 1.590 -0.723 0.000) 1.747 16.664 ( -1.301 -0.711 0.000) 1.483 17.019 ( 1.301 1.081 -0.000) 1.692 17.104 ( 2.307 0.526 -0.000) 2.366 17.129 ( 1.124 0.387 -0.000) 1.189 17.499 ( -5.478 0.125 -0.000) 5.479 17.740 ( 2.848 -0.272 0.000) 2.861 17.823 ( 0.655 -2.089 0.000) 2.190 17.901 ( -0.431 -0.051 0.000) 0.434 17.911 ( -1.193 4.895 -0.000) 5.038 18.011 ( -0.548 0.834 -0.000) 0.998 18.079 ( -1.518 1.188 -0.000) 1.928 21.145 ( 0.797 -4.369 0.000) 4.441 21.231 ( -1.255 1.110 -0.000) 1.676 21.571 ( -0.260 0.662 -0.000) 0.712 21.598 ( -1.103 0.907 -0.000) 1.428 22.136 ( 2.078 0.169 -0.000) 2.085 22.264 ( -1.247 0.327 -0.000) 1.290 26.766 ( 0.508 -0.611 0.000) 0.795 26.788 ( -0.257 0.015 -0.000) 0.258 27.154 ( -1.030 -0.103 0.000) 1.035 27.197 ( -1.372 0.307 -0.000) 1.406 27.401 ( 1.463 -0.480 0.000) 1.540 27.484 ( -0.885 -0.402 0.000) 0.972 34.765 ( 3.175 0.555 -0.000) 3.224 34.782 ( 2.541 0.770 -0.000) 2.655 35.967 ( 2.912 2.952 -0.000) 4.146 36.279 ( -4.792 0.344 -0.000) 4.804 37.312 ( 6.762 0.389 -0.000) 6.773 37.642 ( -0.267 0.283 -0.000) 0.389 38.162 ( -0.978 -2.346 0.000) 2.542 38.239 ( 3.354 -1.466 0.000) 3.660 38.414 ( -9.542 0.546 -0.000) 9.557 38.525 ( -3.320 -1.077 0.000) 3.491 39.137 ( 8.684 -1.598 0.000) 8.830 39.634 ( -5.393 -0.182 0.000) 5.396 ======================= Grid point 217 (75/75) ======================= q-point: ( 0.40 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 21.362 2.801 -0.000) 21.544 2.026 ( -4.326 0.892 -0.000) 4.417 2.902 ( -1.164 -7.171 0.000) 7.264 3.005 ( -11.188 -5.090 0.000) 12.292 3.140 ( 1.031 -17.590 0.000) 17.620 3.166 ( -0.349 -12.565 0.000) 12.570 3.634 ( 10.509 14.679 -0.000) 18.053 3.715 ( 6.720 -5.478 0.000) 8.670 3.837 ( 3.698 4.038 -0.000) 5.476 3.934 ( -0.445 2.637 -0.000) 2.674 4.065 ( -6.819 -3.127 0.000) 7.502 4.162 ( -10.518 5.118 -0.000) 11.698 4.603 ( 6.820 -8.785 0.000) 11.121 4.704 ( -0.212 1.419 -0.000) 1.435 4.742 ( 3.669 -15.391 0.000) 15.822 4.803 ( -2.568 -8.159 0.000) 8.553 4.996 ( 5.695 5.524 -0.000) 7.934 5.096 ( -1.570 11.945 -0.000) 12.048 5.198 ( 10.960 3.680 -0.000) 11.561 5.228 ( 7.401 -4.276 0.000) 8.547 5.326 ( 2.729 0.267 -0.000) 2.742 5.491 ( -11.773 1.551 -0.000) 11.875 5.635 ( 2.115 -11.167 0.000) 11.365 5.719 ( -5.024 -4.440 0.000) 6.704 5.804 ( -0.024 1.756 -0.000) 1.757 5.864 ( -4.342 2.678 -0.000) 5.101 6.004 ( 0.776 -0.331 0.000) 0.844 6.042 ( 7.386 -3.318 0.000) 8.097 6.076 ( -0.726 -0.720 0.000) 1.022 6.342 ( -8.670 -2.671 0.000) 9.072 6.383 ( -5.211 1.227 -0.000) 5.353 6.406 ( -3.349 -1.805 0.000) 3.804 6.614 ( 1.335 1.640 -0.000) 2.114 6.626 ( -0.097 -0.579 0.000) 0.587 6.723 ( -1.028 4.903 -0.000) 5.010 6.761 ( -3.420 10.001 -0.000) 10.570 6.900 ( 5.077 2.903 -0.000) 5.849 6.978 ( -1.560 0.435 -0.000) 1.620 7.227 ( 5.868 -0.619 0.000) 5.901 7.272 ( 0.376 -0.768 0.000) 0.855 7.424 ( -1.904 0.329 -0.000) 1.932 7.447 ( -5.283 -1.388 0.000) 5.462 7.577 ( 6.631 0.842 -0.000) 6.684 7.680 ( -2.047 0.539 -0.000) 2.117 7.711 ( 3.968 -0.686 0.000) 4.027 7.786 ( -3.802 -1.036 0.000) 3.941 8.026 ( 5.728 -1.197 0.000) 5.851 8.134 ( -1.781 -1.480 0.000) 2.315 8.169 ( 2.791 1.044 -0.000) 2.980 8.273 ( -10.917 1.740 -0.000) 11.055 8.561 ( 1.410 -0.728 0.000) 1.587 8.600 ( -1.293 -0.070 0.000) 1.295 8.910 ( 4.656 -1.803 0.000) 4.993 8.992 ( -3.579 -1.458 0.000) 3.864 9.113 ( 2.393 -0.617 0.000) 2.472 9.154 ( -1.219 -1.892 0.000) 2.250 9.258 ( 3.864 0.965 -0.000) 3.983 9.312 ( -1.177 3.431 -0.000) 3.628 9.689 ( -1.365 -2.447 0.000) 2.802 9.721 ( -5.459 -2.021 0.000) 5.821 9.814 ( 5.779 0.306 -0.000) 5.787 9.946 ( -7.627 0.235 -0.000) 7.630 10.214 ( 11.069 -5.805 0.000) 12.499 10.436 ( -10.857 -10.490 0.000) 15.097 10.879 ( 5.082 11.450 -0.000) 12.527 10.919 ( 0.785 11.412 -0.000) 11.439 16.586 ( 2.350 -0.630 0.000) 2.433 16.630 ( -2.181 -0.616 0.000) 2.267 17.051 ( 1.987 0.902 -0.000) 2.183 17.089 ( -1.847 0.751 -0.000) 1.994 17.231 ( 7.209 -0.112 0.000) 7.210 17.374 ( -7.439 -0.361 0.000) 7.448 17.797 ( 2.949 0.753 -0.000) 3.043 17.833 ( -0.177 0.023 -0.000) 0.178 17.882 ( -1.222 0.842 -0.000) 1.484 17.886 ( -1.060 1.237 -0.000) 1.629 18.014 ( 1.011 1.149 -0.000) 1.531 18.044 ( -1.980 0.995 -0.000) 2.216 21.167 ( 1.530 -3.194 0.000) 3.542 21.200 ( -1.834 -1.147 0.000) 2.163 21.569 ( 0.117 0.907 -0.000) 0.915 21.578 ( -0.853 1.116 -0.000) 1.405 22.183 ( 2.670 0.341 -0.000) 2.692 22.230 ( -2.225 0.362 -0.000) 2.254 26.775 ( 0.424 -0.433 0.000) 0.606 26.782 ( -0.310 -0.178 0.000) 0.357 27.146 ( 0.355 0.021 -0.000) 0.356 27.167 ( -1.637 0.147 -0.000) 1.644 27.432 ( 1.652 -0.440 0.000) 1.710 27.461 ( -1.426 -0.417 0.000) 1.485 34.821 ( 2.017 1.148 -0.000) 2.320 34.827 ( 1.449 0.986 -0.000) 1.752 36.048 ( 5.520 2.355 -0.000) 6.001 36.166 ( -6.599 1.373 -0.000) 6.741 37.470 ( 8.926 0.117 -0.000) 8.927 37.605 ( -4.445 0.102 -0.000) 4.446 38.157 ( 1.126 -1.841 0.000) 2.158 38.231 ( -6.778 -0.987 0.000) 6.850 38.335 ( 4.971 0.068 -0.000) 4.971 38.439 ( -5.421 -0.747 0.000) 5.472 39.318 ( 9.842 -1.634 0.000) 9.977 39.496 ( -8.720 -1.093 0.000) 8.788 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/41310 10.0 899.850 404.642 368.299 -0.000 -0.000 -0.000 3/41310 20.0 73.980 56.614 57.907 -0.000 -0.000 -0.000 3/41310 30.0 22.402 19.386 22.043 -0.000 -0.000 -0.000 3/41310 40.0 11.371 10.093 12.025 -0.000 -0.000 -0.000 3/41310 50.0 7.234 6.473 7.851 -0.000 -0.000 -0.000 3/41310 60.0 5.205 4.676 5.709 -0.000 -0.000 -0.000 3/41310 70.0 4.042 3.642 4.460 -0.000 -0.000 -0.000 3/41310 80.0 3.304 2.985 3.663 -0.000 -0.000 -0.000 3/41310 90.0 2.801 2.537 3.119 -0.000 -0.000 -0.000 3/41310 100.0 2.439 2.213 2.727 -0.000 -0.000 -0.000 3/41310 110.0 2.166 1.969 2.432 -0.000 -0.000 -0.000 3/41310 120.0 1.953 1.778 2.201 -0.000 -0.000 -0.000 3/41310 130.0 1.782 1.624 2.016 -0.000 -0.000 -0.000 3/41310 140.0 1.641 1.498 1.863 -0.000 -0.000 -0.000 3/41310 150.0 1.523 1.391 1.735 -0.000 -0.000 -0.000 3/41310 160.0 1.422 1.300 1.624 -0.000 -0.000 -0.000 3/41310 170.0 1.335 1.221 1.529 -0.000 -0.000 -0.000 3/41310 180.0 1.258 1.152 1.445 -0.000 -0.000 -0.000 3/41310 190.0 1.191 1.091 1.371 -0.000 -0.000 -0.000 3/41310 200.0 1.131 1.036 1.304 -0.000 -0.000 -0.000 3/41310 210.0 1.077 0.987 1.244 -0.000 -0.000 -0.000 3/41310 220.0 1.028 0.943 1.190 -0.000 -0.000 -0.000 3/41310 230.0 0.983 0.903 1.141 -0.000 -0.000 -0.000 3/41310 240.0 0.943 0.866 1.096 -0.000 -0.000 -0.000 3/41310 250.0 0.906 0.832 1.054 -0.000 -0.000 -0.000 3/41310 260.0 0.872 0.801 1.016 -0.000 -0.000 -0.000 3/41310 270.0 0.840 0.772 0.981 -0.000 -0.000 -0.000 3/41310 280.0 0.811 0.746 0.948 -0.000 -0.000 -0.000 3/41310 290.0 0.784 0.721 0.917 -0.000 -0.000 -0.000 3/41310 300.0 0.758 0.698 0.889 -0.000 -0.000 -0.000 3/41310 310.0 0.734 0.677 0.862 -0.000 -0.000 -0.000 3/41310 320.0 0.712 0.657 0.837 -0.000 -0.000 -0.000 3/41310 330.0 0.691 0.638 0.814 -0.000 -0.000 -0.000 3/41310 340.0 0.672 0.620 0.791 -0.000 -0.000 -0.000 3/41310 350.0 0.653 0.603 0.771 -0.000 -0.000 -0.000 3/41310 360.0 0.636 0.587 0.751 -0.000 -0.000 -0.000 3/41310 370.0 0.619 0.573 0.733 -0.000 -0.000 -0.000 3/41310 380.0 0.604 0.558 0.715 -0.000 -0.000 -0.000 3/41310 390.0 0.589 0.545 0.698 -0.000 -0.000 -0.000 3/41310 400.0 0.575 0.532 0.682 -0.000 -0.000 -0.000 3/41310 410.0 0.561 0.520 0.667 -0.000 -0.000 -0.000 3/41310 420.0 0.549 0.509 0.653 -0.000 -0.000 -0.000 3/41310 430.0 0.537 0.498 0.639 -0.000 -0.000 -0.000 3/41310 440.0 0.525 0.487 0.626 -0.000 -0.000 -0.000 3/41310 450.0 0.514 0.477 0.614 -0.000 -0.000 -0.000 3/41310 460.0 0.503 0.468 0.602 -0.000 -0.000 -0.000 3/41310 470.0 0.493 0.459 0.590 -0.000 -0.000 -0.000 3/41310 480.0 0.483 0.450 0.579 -0.000 -0.000 -0.000 3/41310 490.0 0.474 0.442 0.569 -0.000 -0.000 -0.000 3/41310 500.0 0.465 0.433 0.559 -0.000 -0.000 -0.000 3/41310 510.0 0.456 0.426 0.549 -0.000 -0.000 -0.000 3/41310 520.0 0.448 0.418 0.540 -0.000 -0.000 -0.000 3/41310 530.0 0.440 0.411 0.530 -0.000 -0.000 -0.000 3/41310 540.0 0.432 0.404 0.522 -0.000 -0.000 -0.000 3/41310 550.0 0.425 0.397 0.513 -0.000 -0.000 -0.000 3/41310 560.0 0.418 0.391 0.505 -0.000 -0.000 -0.000 3/41310 570.0 0.411 0.385 0.497 -0.000 -0.000 -0.000 3/41310 580.0 0.404 0.379 0.490 -0.000 -0.000 -0.000 3/41310 590.0 0.398 0.373 0.482 -0.000 -0.000 -0.000 3/41310 600.0 0.391 0.367 0.475 -0.000 -0.000 -0.000 3/41310 610.0 0.385 0.362 0.469 -0.000 -0.000 -0.000 3/41310 620.0 0.379 0.356 0.462 -0.000 -0.000 -0.000 3/41310 630.0 0.374 0.351 0.455 -0.000 -0.000 -0.000 3/41310 640.0 0.368 0.346 0.449 -0.000 -0.000 -0.000 3/41310 650.0 0.363 0.342 0.443 -0.000 -0.000 -0.000 3/41310 660.0 0.358 0.337 0.437 -0.000 -0.000 -0.000 3/41310 670.0 0.353 0.332 0.431 -0.000 -0.000 -0.000 3/41310 680.0 0.348 0.328 0.426 -0.000 -0.000 -0.000 3/41310 690.0 0.343 0.324 0.420 -0.000 -0.000 -0.000 3/41310 700.0 0.338 0.319 0.415 -0.000 -0.000 -0.000 3/41310 710.0 0.334 0.315 0.410 -0.000 -0.000 -0.000 3/41310 720.0 0.329 0.311 0.405 -0.000 -0.000 -0.000 3/41310 730.0 0.325 0.308 0.400 -0.000 -0.000 -0.000 3/41310 740.0 0.321 0.304 0.395 -0.000 -0.000 -0.000 3/41310 750.0 0.317 0.300 0.391 -0.000 -0.000 -0.000 3/41310 760.0 0.313 0.297 0.386 -0.000 -0.000 -0.000 3/41310 770.0 0.309 0.293 0.382 -0.000 -0.000 -0.000 3/41310 780.0 0.306 0.290 0.377 -0.000 -0.000 -0.000 3/41310 790.0 0.302 0.286 0.373 -0.000 -0.000 -0.000 3/41310 800.0 0.298 0.283 0.369 -0.000 -0.000 -0.000 3/41310 810.0 0.295 0.280 0.365 -0.000 -0.000 -0.000 3/41310 820.0 0.291 0.277 0.361 -0.000 -0.000 -0.000 3/41310 830.0 0.288 0.274 0.357 -0.000 -0.000 -0.000 3/41310 840.0 0.285 0.271 0.353 -0.000 -0.000 -0.000 3/41310 850.0 0.282 0.268 0.350 -0.000 -0.000 -0.000 3/41310 860.0 0.279 0.265 0.346 -0.000 -0.000 -0.000 3/41310 870.0 0.276 0.262 0.343 -0.000 -0.000 -0.000 3/41310 880.0 0.273 0.260 0.339 -0.000 -0.000 -0.000 3/41310 890.0 0.270 0.257 0.336 -0.000 -0.000 -0.000 3/41310 900.0 0.267 0.254 0.332 -0.000 -0.000 -0.000 3/41310 910.0 0.264 0.252 0.329 -0.000 -0.000 -0.000 3/41310 920.0 0.261 0.249 0.326 -0.000 -0.000 -0.000 3/41310 930.0 0.259 0.247 0.323 -0.000 -0.000 -0.000 3/41310 940.0 0.256 0.245 0.320 -0.000 -0.000 -0.000 3/41310 950.0 0.254 0.242 0.317 -0.000 -0.000 -0.000 3/41310 960.0 0.251 0.240 0.314 -0.000 -0.000 -0.000 3/41310 970.0 0.249 0.238 0.311 -0.000 -0.000 -0.000 3/41310 980.0 0.246 0.236 0.308 -0.000 -0.000 -0.000 3/41310 990.0 0.244 0.233 0.305 -0.000 -0.000 -0.000 3/41310 1000.0 0.242 0.231 0.303 -0.000 -0.000 -0.000 3/41310 Thermal conductivity related properties were written into "kappa-m599.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:51:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|