----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:50:48]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.191599979999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.692055890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.201488499999999 Atomic positions (fractional): *1 S 0.16904822730985 0.51097159967446 0.24168943356336 32.065 2 S 0.33095177269015 0.48902840032554 0.74168943356336 32.065 3 S 0.83095177269015 0.01097159967446 0.75831056643664 32.065 4 S 0.66904822730985 0.98902840032554 0.25831056643664 32.065 5 S 0.83095177269015 0.48902840032554 0.75831056643664 32.065 6 S 0.66904822730985 0.51097159967446 0.25831056643664 32.065 7 S 0.16904822730985 0.98902840032554 0.24168943356336 32.065 8 S 0.33095177269015 0.01097159967446 0.74168943356336 32.065 *9 S 0.92830226905878 0.75000000000000 0.25469939852955 32.065 10 S 0.57169773094122 0.25000000000000 0.75469939852955 32.065 11 S 0.07169773094122 0.25000000000000 0.74530060147045 32.065 12 S 0.42830226905878 0.75000000000000 0.24530060147045 32.065 *13 S 0.08987134674136 0.75000000000000 0.77404650220287 32.065 14 S 0.41012865325864 0.25000000000000 0.27404650220287 32.065 15 S 0.91012865325864 0.25000000000000 0.22595349779713 32.065 16 S 0.58987134674136 0.75000000000000 0.72595349779713 32.065 *17 Zn 0.59162451510066 0.75000000000000 0.09196477771459 65.380 18 Zn 0.90837548489934 0.25000000000000 0.59196477771459 65.380 19 Zn 0.40837548489934 0.25000000000000 0.90803522228541 65.380 20 Zn 0.09162451510066 0.75000000000000 0.40803522228541 65.380 *21 Tm 0.76463143796944 0.75000000000000 0.50411807215822 168.934 22 Tm 0.73536856203056 0.25000000000000 0.00411807215822 168.934 23 Tm 0.23536856203056 0.25000000000000 0.49588192784178 168.934 24 Tm 0.26463143796944 0.75000000000000 0.99588192784178 168.934 *25 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 26 Tm 0.00000000000000 0.50000000000000 0.00000000000000 168.934 27 Tm 0.50000000000000 0.00000000000000 0.50000000000000 168.934 28 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.191599979999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.692055890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.201488499999999 Atomic positions (fractional): *1 S 0.16904822730985 0.51097159967446 0.24168943356336 32.065 > 1 2 S 0.33095177269015 0.48902840032554 0.74168943356336 32.065 > 2 3 S 0.83095177269015 0.01097159967446 0.75831056643664 32.065 > 3 4 S 0.66904822730985 0.98902840032554 0.25831056643664 32.065 > 4 5 S 0.83095177269015 0.48902840032554 0.75831056643664 32.065 > 5 6 S 0.66904822730985 0.51097159967446 0.25831056643664 32.065 > 6 7 S 0.16904822730985 0.98902840032554 0.24168943356336 32.065 > 7 8 S 0.33095177269015 0.01097159967446 0.74168943356336 32.065 > 8 *9 S 0.92830226905878 0.75000000000000 0.25469939852955 32.065 > 9 10 S 0.57169773094122 0.25000000000000 0.75469939852955 32.065 > 10 11 S 0.07169773094122 0.25000000000000 0.74530060147045 32.065 > 11 12 S 0.42830226905878 0.75000000000000 0.24530060147045 32.065 > 12 *13 S 0.08987134674136 0.75000000000000 0.77404650220287 32.065 > 13 14 S 0.41012865325864 0.25000000000000 0.27404650220287 32.065 > 14 15 S 0.91012865325864 0.25000000000000 0.22595349779713 32.065 > 15 16 S 0.58987134674136 0.75000000000000 0.72595349779713 32.065 > 16 *17 Zn 0.59162451510066 0.75000000000000 0.09196477771459 65.380 > 17 18 Zn 0.90837548489934 0.25000000000000 0.59196477771459 65.380 > 18 19 Zn 0.40837548489934 0.25000000000000 0.90803522228541 65.380 > 19 20 Zn 0.09162451510066 0.75000000000000 0.40803522228541 65.380 > 20 *21 Tm 0.76463143796944 0.75000000000000 0.50411807215822 168.934 > 21 22 Tm 0.73536856203056 0.25000000000000 0.00411807215822 168.934 > 22 23 Tm 0.23536856203056 0.25000000000000 0.49588192784178 168.934 > 23 24 Tm 0.26463143796944 0.75000000000000 0.99588192784178 168.934 > 24 *25 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 > 25 26 Tm 0.00000000000000 0.50000000000000 0.00000000000000 168.934 > 26 27 Tm 0.50000000000000 0.00000000000000 0.50000000000000 168.934 > 27 28 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.191599979999998 0.000000000000000 0.000000000000000 b 0.000000000000000 15.384111780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.402976999999998 Atomic positions (fractional): *1 S 0.16904822730985 0.25548579983723 0.12084471678168 32.065 > 1 2 S 0.16904822730985 0.75548579983723 0.12084471678168 32.065 > 1 3 S 0.16904822730985 0.25548579983723 0.62084471678168 32.065 > 1 4 S 0.16904822730985 0.75548579983723 0.62084471678168 32.065 > 1 5 S 0.33095177269015 0.24451420016277 0.37084471678168 32.065 > 2 6 S 0.33095177269015 0.74451420016277 0.37084471678168 32.065 > 2 7 S 0.33095177269015 0.24451420016277 0.87084471678168 32.065 > 2 8 S 0.33095177269015 0.74451420016277 0.87084471678168 32.065 > 2 9 S 0.83095177269015 0.00548579983723 0.37915528321832 32.065 > 3 10 S 0.83095177269015 0.50548579983723 0.37915528321832 32.065 > 3 11 S 0.83095177269015 0.00548579983723 0.87915528321832 32.065 > 3 12 S 0.83095177269015 0.50548579983723 0.87915528321832 32.065 > 3 13 S 0.66904822730985 0.49451420016277 0.12915528321832 32.065 > 4 14 S 0.66904822730985 0.99451420016277 0.12915528321832 32.065 > 4 15 S 0.66904822730985 0.49451420016277 0.62915528321832 32.065 > 4 16 S 0.66904822730985 0.99451420016277 0.62915528321832 32.065 > 4 17 S 0.83095177269015 0.24451420016277 0.37915528321832 32.065 > 5 18 S 0.83095177269015 0.74451420016277 0.37915528321832 32.065 > 5 19 S 0.83095177269015 0.24451420016277 0.87915528321832 32.065 > 5 20 S 0.83095177269015 0.74451420016277 0.87915528321832 32.065 > 5 21 S 0.66904822730985 0.25548579983723 0.12915528321832 32.065 > 6 22 S 0.66904822730985 0.75548579983723 0.12915528321832 32.065 > 6 23 S 0.66904822730985 0.25548579983723 0.62915528321832 32.065 > 6 24 S 0.66904822730985 0.75548579983723 0.62915528321832 32.065 > 6 25 S 0.16904822730985 0.49451420016277 0.12084471678168 32.065 > 7 26 S 0.16904822730985 0.99451420016277 0.12084471678168 32.065 > 7 27 S 0.16904822730985 0.49451420016277 0.62084471678168 32.065 > 7 28 S 0.16904822730985 0.99451420016277 0.62084471678168 32.065 > 7 29 S 0.33095177269015 0.00548579983723 0.37084471678168 32.065 > 8 30 S 0.33095177269015 0.50548579983723 0.37084471678168 32.065 > 8 31 S 0.33095177269015 0.00548579983723 0.87084471678168 32.065 > 8 32 S 0.33095177269015 0.50548579983723 0.87084471678168 32.065 > 8 *33 S 0.92830226905878 0.37500000000000 0.12734969926478 32.065 > 9 34 S 0.92830226905878 0.87500000000000 0.12734969926478 32.065 > 9 35 S 0.92830226905878 0.37500000000000 0.62734969926478 32.065 > 9 36 S 0.92830226905878 0.87500000000000 0.62734969926478 32.065 > 9 37 S 0.57169773094122 0.12500000000000 0.37734969926478 32.065 > 10 38 S 0.57169773094122 0.62500000000000 0.37734969926478 32.065 > 10 39 S 0.57169773094122 0.12500000000000 0.87734969926478 32.065 > 10 40 S 0.57169773094122 0.62500000000000 0.87734969926478 32.065 > 10 41 S 0.07169773094122 0.12500000000000 0.37265030073522 32.065 > 11 42 S 0.07169773094122 0.62500000000000 0.37265030073522 32.065 > 11 43 S 0.07169773094122 0.12500000000000 0.87265030073522 32.065 > 11 44 S 0.07169773094122 0.62500000000000 0.87265030073522 32.065 > 11 45 S 0.42830226905878 0.37500000000000 0.12265030073522 32.065 > 12 46 S 0.42830226905878 0.87500000000000 0.12265030073522 32.065 > 12 47 S 0.42830226905878 0.37500000000000 0.62265030073522 32.065 > 12 48 S 0.42830226905878 0.87500000000000 0.62265030073522 32.065 > 12 *49 S 0.08987134674136 0.37500000000000 0.38702325110144 32.065 > 13 50 S 0.08987134674136 0.87500000000000 0.38702325110144 32.065 > 13 51 S 0.08987134674136 0.37500000000000 0.88702325110144 32.065 > 13 52 S 0.08987134674136 0.87500000000000 0.88702325110144 32.065 > 13 53 S 0.41012865325864 0.12500000000000 0.13702325110144 32.065 > 14 54 S 0.41012865325864 0.62500000000000 0.13702325110144 32.065 > 14 55 S 0.41012865325864 0.12500000000000 0.63702325110144 32.065 > 14 56 S 0.41012865325864 0.62500000000000 0.63702325110144 32.065 > 14 57 S 0.91012865325864 0.12500000000000 0.11297674889856 32.065 > 15 58 S 0.91012865325864 0.62500000000000 0.11297674889856 32.065 > 15 59 S 0.91012865325864 0.12500000000000 0.61297674889856 32.065 > 15 60 S 0.91012865325864 0.62500000000000 0.61297674889856 32.065 > 15 61 S 0.58987134674136 0.37500000000000 0.36297674889856 32.065 > 16 62 S 0.58987134674136 0.87500000000000 0.36297674889856 32.065 > 16 63 S 0.58987134674136 0.37500000000000 0.86297674889856 32.065 > 16 64 S 0.58987134674136 0.87500000000000 0.86297674889856 32.065 > 16 *65 Zn 0.59162451510066 0.37500000000000 0.04598238885729 65.380 > 17 66 Zn 0.59162451510066 0.87500000000000 0.04598238885729 65.380 > 17 67 Zn 0.59162451510066 0.37500000000000 0.54598238885729 65.380 > 17 68 Zn 0.59162451510066 0.87500000000000 0.54598238885729 65.380 > 17 69 Zn 0.90837548489934 0.12500000000000 0.29598238885729 65.380 > 18 70 Zn 0.90837548489934 0.62500000000000 0.29598238885729 65.380 > 18 71 Zn 0.90837548489934 0.12500000000000 0.79598238885729 65.380 > 18 72 Zn 0.90837548489934 0.62500000000000 0.79598238885729 65.380 > 18 73 Zn 0.40837548489934 0.12500000000000 0.45401761114271 65.380 > 19 74 Zn 0.40837548489934 0.62500000000000 0.45401761114271 65.380 > 19 75 Zn 0.40837548489934 0.12500000000000 0.95401761114271 65.380 > 19 76 Zn 0.40837548489934 0.62500000000000 0.95401761114271 65.380 > 19 77 Zn 0.09162451510066 0.37500000000000 0.20401761114271 65.380 > 20 78 Zn 0.09162451510066 0.87500000000000 0.20401761114271 65.380 > 20 79 Zn 0.09162451510066 0.37500000000000 0.70401761114271 65.380 > 20 80 Zn 0.09162451510066 0.87500000000000 0.70401761114271 65.380 > 20 *81 Tm 0.76463143796944 0.37500000000000 0.25205903607911 168.934 > 21 82 Tm 0.76463143796944 0.87500000000000 0.25205903607911 168.934 > 21 83 Tm 0.76463143796944 0.37500000000000 0.75205903607911 168.934 > 21 84 Tm 0.76463143796944 0.87500000000000 0.75205903607911 168.934 > 21 85 Tm 0.73536856203056 0.12500000000000 0.00205903607911 168.934 > 22 86 Tm 0.73536856203056 0.62500000000000 0.00205903607911 168.934 > 22 87 Tm 0.73536856203056 0.12500000000000 0.50205903607911 168.934 > 22 88 Tm 0.73536856203056 0.62500000000000 0.50205903607911 168.934 > 22 89 Tm 0.23536856203056 0.12500000000000 0.24794096392089 168.934 > 23 90 Tm 0.23536856203056 0.62500000000000 0.24794096392089 168.934 > 23 91 Tm 0.23536856203056 0.12500000000000 0.74794096392089 168.934 > 23 92 Tm 0.23536856203056 0.62500000000000 0.74794096392089 168.934 > 23 93 Tm 0.26463143796944 0.37500000000000 0.49794096392089 168.934 > 24 94 Tm 0.26463143796944 0.87500000000000 0.49794096392089 168.934 > 24 95 Tm 0.26463143796944 0.37500000000000 0.99794096392089 168.934 > 24 96 Tm 0.26463143796944 0.87500000000000 0.99794096392089 168.934 > 24 *97 Tm 0.50000000000000 0.25000000000000 0.25000000000000 168.934 > 25 98 Tm 0.50000000000000 0.75000000000000 0.25000000000000 168.934 > 25 99 Tm 0.50000000000000 0.25000000000000 0.75000000000000 168.934 > 25 100 Tm 0.50000000000000 0.75000000000000 0.75000000000000 168.934 > 25 101 Tm 0.00000000000000 0.25000000000000 0.00000000000000 168.934 > 26 102 Tm 0.00000000000000 0.75000000000000 0.00000000000000 168.934 > 26 103 Tm 0.00000000000000 0.25000000000000 0.50000000000000 168.934 > 26 104 Tm 0.00000000000000 0.75000000000000 0.50000000000000 168.934 > 26 105 Tm 0.50000000000000 0.00000000000000 0.25000000000000 168.934 > 27 106 Tm 0.50000000000000 0.50000000000000 0.25000000000000 168.934 > 27 107 Tm 0.50000000000000 0.00000000000000 0.75000000000000 168.934 > 27 108 Tm 0.50000000000000 0.50000000000000 0.75000000000000 168.934 > 27 109 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 28 110 Tm 0.00000000000000 0.50000000000000 0.00000000000000 168.934 > 28 111 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 28 112 Tm 0.00000000000000 0.50000000000000 0.50000000000000 168.934 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2409075 0.0000000 0.0000000 0.0000000 6.4126774 0.0000000 0.0000000 0.0000000 6.3387497 -------------------------- Born effective charges -------------------------- 1 S -2.3599244 0.1782404 -0.3155850 0.1345939 -2.8461160 0.6624535 -0.3369767 0.7070547 -2.2940611 2 S -2.3599244 0.1782404 0.3155850 0.1345939 -2.8461160 -0.6624535 0.3369767 -0.7070547 -2.2940611 3 S -2.3599244 -0.1782404 -0.3155850 -0.1345939 -2.8461160 -0.6624535 -0.3369767 -0.7070547 -2.2940611 4 S -2.3599244 -0.1782404 0.3155850 -0.1345939 -2.8461160 0.6624535 0.3369767 0.7070547 -2.2940611 5 S -2.3599244 0.1782404 -0.3155850 0.1345939 -2.8461160 0.6624535 -0.3369767 0.7070547 -2.2940611 6 S -2.3599244 0.1782404 0.3155850 0.1345939 -2.8461160 -0.6624535 0.3369767 -0.7070547 -2.2940611 7 S -2.3599244 -0.1782404 -0.3155850 -0.1345939 -2.8461160 -0.6624535 -0.3369767 -0.7070547 -2.2940611 8 S -2.3599244 -0.1782404 0.3155850 -0.1345939 -2.8461160 0.6624535 0.3369767 0.7070547 -2.2940611 9 S -2.8301120 0.0000000 0.7715589 0.0000000 -2.2953296 0.0000000 0.7684483 0.0000000 -2.3568373 10 S -2.8301120 0.0000000 -0.7715589 0.0000000 -2.2953296 0.0000000 -0.7684483 0.0000000 -2.3568373 11 S -2.8301120 0.0000000 0.7715589 0.0000000 -2.2953296 0.0000000 0.7684483 0.0000000 -2.3568373 12 S -2.8301120 0.0000000 -0.7715589 0.0000000 -2.2953296 0.0000000 -0.7684483 0.0000000 -2.3568373 13 S -2.3124539 0.0000000 0.0310348 0.0000000 -2.2615035 0.0000000 0.0477115 0.0000000 -2.7020239 14 S -2.3124539 0.0000000 -0.0310348 0.0000000 -2.2615035 0.0000000 -0.0477115 0.0000000 -2.7020239 15 S -2.3124539 0.0000000 0.0310348 0.0000000 -2.2615035 0.0000000 0.0477115 0.0000000 -2.7020239 16 S -2.3124539 0.0000000 -0.0310348 0.0000000 -2.2615035 0.0000000 -0.0477115 0.0000000 -2.7020239 17 Zn 1.5764149 0.0000000 -0.0046578 0.0000000 1.6692532 0.0000000 0.0082735 0.0000000 2.2796745 18 Zn 1.5764149 0.0000000 0.0046578 0.0000000 1.6692532 0.0000000 -0.0082735 0.0000000 2.2796745 19 Zn 1.5764149 0.0000000 -0.0046578 0.0000000 1.6692532 0.0000000 0.0082735 0.0000000 2.2796745 20 Zn 1.5764149 0.0000000 0.0046578 0.0000000 1.6692532 0.0000000 -0.0082735 0.0000000 2.2796745 21 Tm 4.6316826 0.0000000 0.1985272 0.0000000 4.2977492 0.0000000 0.1124512 0.0000000 3.8686639 22 Tm 4.6316826 0.0000000 -0.1985272 0.0000000 4.2977492 0.0000000 -0.1124512 0.0000000 3.8686639 23 Tm 4.6316826 0.0000000 0.1985272 0.0000000 4.2977492 0.0000000 0.1124512 0.0000000 3.8686639 24 Tm 4.6316826 0.0000000 -0.1985272 0.0000000 4.2977492 0.0000000 -0.1124512 0.0000000 3.8686639 25 Tm 3.6543172 0.6461100 -0.1969867 0.6008088 4.2820628 -0.5360822 -0.2243028 -0.4359034 3.4986451 26 Tm 3.6543172 0.6461100 0.1969867 0.6008088 4.2820628 0.5360822 0.2243028 0.4359034 3.4986451 27 Tm 3.6543172 -0.6461100 -0.1969867 -0.6008088 4.2820628 0.5360822 -0.2243028 0.4359034 3.4986451 28 Tm 3.6543172 -0.6461100 0.1969867 -0.6008088 4.2820628 -0.5360822 0.2243028 -0.4359034 3.4986451 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 480 - Time: 4.185 Solver_block: 200 / 480 - Time: 3.072 Solver_block: 300 / 480 - Time: 3.067 Solver_block: 400 / 480 - Time: 3.124 Solver_block: 480 / 480 - Time: 2.660 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.235 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), 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 02:51:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:51:42]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.191599979999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.692055890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.201488499999999 Atomic positions (fractional): 1 S 0.16904822730985 0.51097159967446 0.24168943356336 32.065 2 S 0.33095177269015 0.48902840032554 0.74168943356336 32.065 3 S 0.83095177269015 0.01097159967446 0.75831056643664 32.065 4 S 0.66904822730985 0.98902840032554 0.25831056643664 32.065 5 S 0.83095177269015 0.48902840032554 0.75831056643664 32.065 6 S 0.66904822730985 0.51097159967446 0.25831056643664 32.065 7 S 0.16904822730985 0.98902840032554 0.24168943356336 32.065 8 S 0.33095177269015 0.01097159967446 0.74168943356336 32.065 9 S 0.92830226905878 0.75000000000000 0.25469939852955 32.065 10 S 0.57169773094122 0.25000000000000 0.75469939852955 32.065 11 S 0.07169773094122 0.25000000000000 0.74530060147045 32.065 12 S 0.42830226905878 0.75000000000000 0.24530060147045 32.065 13 S 0.08987134674136 0.75000000000000 0.77404650220287 32.065 14 S 0.41012865325864 0.25000000000000 0.27404650220287 32.065 15 S 0.91012865325864 0.25000000000000 0.22595349779713 32.065 16 S 0.58987134674136 0.75000000000000 0.72595349779713 32.065 17 Zn 0.59162451510066 0.75000000000000 0.09196477771459 65.380 18 Zn 0.90837548489934 0.25000000000000 0.59196477771459 65.380 19 Zn 0.40837548489934 0.25000000000000 0.90803522228541 65.380 20 Zn 0.09162451510066 0.75000000000000 0.40803522228541 65.380 21 Tm 0.76463143796944 0.75000000000000 0.50411807215822 168.934 22 Tm 0.73536856203056 0.25000000000000 0.00411807215822 168.934 23 Tm 0.23536856203056 0.25000000000000 0.49588192784178 168.934 24 Tm 0.26463143796944 0.75000000000000 0.99588192784178 168.934 25 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 26 Tm 0.00000000000000 0.50000000000000 0.00000000000000 168.934 27 Tm 0.50000000000000 0.00000000000000 0.50000000000000 168.934 28 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.191599979999998 0.000000000000000 0.000000000000000 b 0.000000000000000 15.384111780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.402976999999998 Atomic positions (fractional): 1 S 0.16904822730985 0.25548579983723 0.12084471678168 32.065 > 1 2 S 0.16904822730985 0.75548579983723 0.12084471678168 32.065 > 1 3 S 0.16904822730985 0.25548579983723 0.62084471678168 32.065 > 1 4 S 0.16904822730985 0.75548579983723 0.62084471678168 32.065 > 1 5 S 0.33095177269015 0.24451420016277 0.37084471678168 32.065 > 5 6 S 0.33095177269015 0.74451420016277 0.37084471678168 32.065 > 5 7 S 0.33095177269015 0.24451420016277 0.87084471678168 32.065 > 5 8 S 0.33095177269015 0.74451420016277 0.87084471678168 32.065 > 5 9 S 0.83095177269015 0.00548579983723 0.37915528321832 32.065 > 9 10 S 0.83095177269015 0.50548579983723 0.37915528321832 32.065 > 9 11 S 0.83095177269015 0.00548579983723 0.87915528321832 32.065 > 9 12 S 0.83095177269015 0.50548579983723 0.87915528321832 32.065 > 9 13 S 0.66904822730985 0.49451420016277 0.12915528321832 32.065 > 13 14 S 0.66904822730985 0.99451420016277 0.12915528321832 32.065 > 13 15 S 0.66904822730985 0.49451420016277 0.62915528321832 32.065 > 13 16 S 0.66904822730985 0.99451420016277 0.62915528321832 32.065 > 13 17 S 0.83095177269015 0.24451420016277 0.37915528321832 32.065 > 17 18 S 0.83095177269015 0.74451420016277 0.37915528321832 32.065 > 17 19 S 0.83095177269015 0.24451420016277 0.87915528321832 32.065 > 17 20 S 0.83095177269015 0.74451420016277 0.87915528321832 32.065 > 17 21 S 0.66904822730985 0.25548579983723 0.12915528321832 32.065 > 21 22 S 0.66904822730985 0.75548579983723 0.12915528321832 32.065 > 21 23 S 0.66904822730985 0.25548579983723 0.62915528321832 32.065 > 21 24 S 0.66904822730985 0.75548579983723 0.62915528321832 32.065 > 21 25 S 0.16904822730985 0.49451420016277 0.12084471678168 32.065 > 25 26 S 0.16904822730985 0.99451420016277 0.12084471678168 32.065 > 25 27 S 0.16904822730985 0.49451420016277 0.62084471678168 32.065 > 25 28 S 0.16904822730985 0.99451420016277 0.62084471678168 32.065 > 25 29 S 0.33095177269015 0.00548579983723 0.37084471678168 32.065 > 29 30 S 0.33095177269015 0.50548579983723 0.37084471678168 32.065 > 29 31 S 0.33095177269015 0.00548579983723 0.87084471678168 32.065 > 29 32 S 0.33095177269015 0.50548579983723 0.87084471678168 32.065 > 29 33 S 0.92830226905878 0.37500000000000 0.12734969926478 32.065 > 33 34 S 0.92830226905878 0.87500000000000 0.12734969926478 32.065 > 33 35 S 0.92830226905878 0.37500000000000 0.62734969926478 32.065 > 33 36 S 0.92830226905878 0.87500000000000 0.62734969926478 32.065 > 33 37 S 0.57169773094122 0.12500000000000 0.37734969926478 32.065 > 37 38 S 0.57169773094122 0.62500000000000 0.37734969926478 32.065 > 37 39 S 0.57169773094122 0.12500000000000 0.87734969926478 32.065 > 37 40 S 0.57169773094122 0.62500000000000 0.87734969926478 32.065 > 37 41 S 0.07169773094122 0.12500000000000 0.37265030073522 32.065 > 41 42 S 0.07169773094122 0.62500000000000 0.37265030073522 32.065 > 41 43 S 0.07169773094122 0.12500000000000 0.87265030073522 32.065 > 41 44 S 0.07169773094122 0.62500000000000 0.87265030073522 32.065 > 41 45 S 0.42830226905878 0.37500000000000 0.12265030073522 32.065 > 45 46 S 0.42830226905878 0.87500000000000 0.12265030073522 32.065 > 45 47 S 0.42830226905878 0.37500000000000 0.62265030073522 32.065 > 45 48 S 0.42830226905878 0.87500000000000 0.62265030073522 32.065 > 45 49 S 0.08987134674136 0.37500000000000 0.38702325110144 32.065 > 49 50 S 0.08987134674136 0.87500000000000 0.38702325110144 32.065 > 49 51 S 0.08987134674136 0.37500000000000 0.88702325110144 32.065 > 49 52 S 0.08987134674136 0.87500000000000 0.88702325110144 32.065 > 49 53 S 0.41012865325864 0.12500000000000 0.13702325110144 32.065 > 53 54 S 0.41012865325864 0.62500000000000 0.13702325110144 32.065 > 53 55 S 0.41012865325864 0.12500000000000 0.63702325110144 32.065 > 53 56 S 0.41012865325864 0.62500000000000 0.63702325110144 32.065 > 53 57 S 0.91012865325864 0.12500000000000 0.11297674889856 32.065 > 57 58 S 0.91012865325864 0.62500000000000 0.11297674889856 32.065 > 57 59 S 0.91012865325864 0.12500000000000 0.61297674889856 32.065 > 57 60 S 0.91012865325864 0.62500000000000 0.61297674889856 32.065 > 57 61 S 0.58987134674136 0.37500000000000 0.36297674889856 32.065 > 61 62 S 0.58987134674136 0.87500000000000 0.36297674889856 32.065 > 61 63 S 0.58987134674136 0.37500000000000 0.86297674889856 32.065 > 61 64 S 0.58987134674136 0.87500000000000 0.86297674889856 32.065 > 61 65 Zn 0.59162451510066 0.37500000000000 0.04598238885729 65.380 > 65 66 Zn 0.59162451510066 0.87500000000000 0.04598238885729 65.380 > 65 67 Zn 0.59162451510066 0.37500000000000 0.54598238885729 65.380 > 65 68 Zn 0.59162451510066 0.87500000000000 0.54598238885729 65.380 > 65 69 Zn 0.90837548489934 0.12500000000000 0.29598238885729 65.380 > 69 70 Zn 0.90837548489934 0.62500000000000 0.29598238885729 65.380 > 69 71 Zn 0.90837548489934 0.12500000000000 0.79598238885729 65.380 > 69 72 Zn 0.90837548489934 0.62500000000000 0.79598238885729 65.380 > 69 73 Zn 0.40837548489934 0.12500000000000 0.45401761114271 65.380 > 73 74 Zn 0.40837548489934 0.62500000000000 0.45401761114271 65.380 > 73 75 Zn 0.40837548489934 0.12500000000000 0.95401761114271 65.380 > 73 76 Zn 0.40837548489934 0.62500000000000 0.95401761114271 65.380 > 73 77 Zn 0.09162451510066 0.37500000000000 0.20401761114271 65.380 > 77 78 Zn 0.09162451510066 0.87500000000000 0.20401761114271 65.380 > 77 79 Zn 0.09162451510066 0.37500000000000 0.70401761114271 65.380 > 77 80 Zn 0.09162451510066 0.87500000000000 0.70401761114271 65.380 > 77 81 Tm 0.76463143796944 0.37500000000000 0.25205903607911 168.934 > 81 82 Tm 0.76463143796944 0.87500000000000 0.25205903607911 168.934 > 81 83 Tm 0.76463143796944 0.37500000000000 0.75205903607911 168.934 > 81 84 Tm 0.76463143796944 0.87500000000000 0.75205903607911 168.934 > 81 85 Tm 0.73536856203056 0.12500000000000 0.00205903607911 168.934 > 85 86 Tm 0.73536856203056 0.62500000000000 0.00205903607911 168.934 > 85 87 Tm 0.73536856203056 0.12500000000000 0.50205903607911 168.934 > 85 88 Tm 0.73536856203056 0.62500000000000 0.50205903607911 168.934 > 85 89 Tm 0.23536856203056 0.12500000000000 0.24794096392089 168.934 > 89 90 Tm 0.23536856203056 0.62500000000000 0.24794096392089 168.934 > 89 91 Tm 0.23536856203056 0.12500000000000 0.74794096392089 168.934 > 89 92 Tm 0.23536856203056 0.62500000000000 0.74794096392089 168.934 > 89 93 Tm 0.26463143796944 0.37500000000000 0.49794096392089 168.934 > 93 94 Tm 0.26463143796944 0.87500000000000 0.49794096392089 168.934 > 93 95 Tm 0.26463143796944 0.37500000000000 0.99794096392089 168.934 > 93 96 Tm 0.26463143796944 0.87500000000000 0.99794096392089 168.934 > 93 97 Tm 0.50000000000000 0.25000000000000 0.25000000000000 168.934 > 97 98 Tm 0.50000000000000 0.75000000000000 0.25000000000000 168.934 > 97 99 Tm 0.50000000000000 0.25000000000000 0.75000000000000 168.934 > 97 100 Tm 0.50000000000000 0.75000000000000 0.75000000000000 168.934 > 97 101 Tm 0.00000000000000 0.25000000000000 0.00000000000000 168.934 > 101 102 Tm 0.00000000000000 0.75000000000000 0.00000000000000 168.934 > 101 103 Tm 0.00000000000000 0.25000000000000 0.50000000000000 168.934 > 101 104 Tm 0.00000000000000 0.75000000000000 0.50000000000000 168.934 > 101 105 Tm 0.50000000000000 0.00000000000000 0.25000000000000 168.934 > 105 106 Tm 0.50000000000000 0.50000000000000 0.25000000000000 168.934 > 105 107 Tm 0.50000000000000 0.00000000000000 0.75000000000000 168.934 > 105 108 Tm 0.50000000000000 0.50000000000000 0.75000000000000 168.934 > 105 109 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 109 110 Tm 0.00000000000000 0.50000000000000 0.00000000000000 168.934 > 109 111 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 109 112 Tm 0.00000000000000 0.50000000000000 0.50000000000000 168.934 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2409075 0.0000000 0.0000000 0.0000000 6.4126774 0.0000000 0.0000000 0.0000000 6.3387497 -------------------------- Born effective charges -------------------------- 1 S -2.3599244 0.1782404 -0.3155850 0.1345939 -2.8461160 0.6624535 -0.3369767 0.7070547 -2.2940611 2 S -2.3599244 0.1782404 0.3155850 0.1345939 -2.8461160 -0.6624535 0.3369767 -0.7070547 -2.2940611 3 S -2.3599244 -0.1782404 -0.3155850 -0.1345939 -2.8461160 -0.6624535 -0.3369767 -0.7070547 -2.2940611 4 S -2.3599244 -0.1782404 0.3155850 -0.1345939 -2.8461160 0.6624535 0.3369767 0.7070547 -2.2940611 5 S -2.3599244 0.1782404 -0.3155850 0.1345939 -2.8461160 0.6624535 -0.3369767 0.7070547 -2.2940611 6 S -2.3599244 0.1782404 0.3155850 0.1345939 -2.8461160 -0.6624535 0.3369767 -0.7070547 -2.2940611 7 S -2.3599244 -0.1782404 -0.3155850 -0.1345939 -2.8461160 -0.6624535 -0.3369767 -0.7070547 -2.2940611 8 S -2.3599244 -0.1782404 0.3155850 -0.1345939 -2.8461160 0.6624535 0.3369767 0.7070547 -2.2940611 9 S -2.8301120 0.0000000 0.7715589 0.0000000 -2.2953296 0.0000000 0.7684483 0.0000000 -2.3568373 10 S -2.8301120 0.0000000 -0.7715589 0.0000000 -2.2953296 0.0000000 -0.7684483 0.0000000 -2.3568373 11 S -2.8301120 0.0000000 0.7715589 0.0000000 -2.2953296 0.0000000 0.7684483 0.0000000 -2.3568373 12 S -2.8301120 0.0000000 -0.7715589 0.0000000 -2.2953296 0.0000000 -0.7684483 0.0000000 -2.3568373 13 S -2.3124539 0.0000000 0.0310348 0.0000000 -2.2615035 0.0000000 0.0477115 0.0000000 -2.7020239 14 S -2.3124539 0.0000000 -0.0310348 0.0000000 -2.2615035 0.0000000 -0.0477115 0.0000000 -2.7020239 15 S -2.3124539 0.0000000 0.0310348 0.0000000 -2.2615035 0.0000000 0.0477115 0.0000000 -2.7020239 16 S -2.3124539 0.0000000 -0.0310348 0.0000000 -2.2615035 0.0000000 -0.0477115 0.0000000 -2.7020239 17 Zn 1.5764149 0.0000000 -0.0046578 0.0000000 1.6692532 0.0000000 0.0082735 0.0000000 2.2796745 18 Zn 1.5764149 0.0000000 0.0046578 0.0000000 1.6692532 0.0000000 -0.0082735 0.0000000 2.2796745 19 Zn 1.5764149 0.0000000 -0.0046578 0.0000000 1.6692532 0.0000000 0.0082735 0.0000000 2.2796745 20 Zn 1.5764149 0.0000000 0.0046578 0.0000000 1.6692532 0.0000000 -0.0082735 0.0000000 2.2796745 21 Tm 4.6316826 0.0000000 0.1985272 0.0000000 4.2977492 0.0000000 0.1124512 0.0000000 3.8686639 22 Tm 4.6316826 0.0000000 -0.1985272 0.0000000 4.2977492 0.0000000 -0.1124512 0.0000000 3.8686639 23 Tm 4.6316826 0.0000000 0.1985272 0.0000000 4.2977492 0.0000000 0.1124512 0.0000000 3.8686639 24 Tm 4.6316826 0.0000000 -0.1985272 0.0000000 4.2977492 0.0000000 -0.1124512 0.0000000 3.8686639 25 Tm 3.6543172 0.6461100 -0.1969867 0.6008088 4.2820628 -0.5360822 -0.2243028 -0.4359034 3.4986451 26 Tm 3.6543172 0.6461100 0.1969867 0.6008088 4.2820628 0.5360822 0.2243028 0.4359034 3.4986451 27 Tm 3.6543172 -0.6461100 -0.1969867 -0.6008088 4.2820628 0.5360822 -0.2243028 0.4359034 3.4986451 28 Tm 3.6543172 -0.6461100 0.1969867 -0.6008088 4.2820628 -0.5360822 0.2243028 -0.4359034 3.4986451 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (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 02:52:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:52:09]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.191599979999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.692055890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.201488499999999 Atomic positions (fractional): 1 S 0.16904822730985 0.51097159967446 0.24168943356336 32.065 2 S 0.33095177269015 0.48902840032554 0.74168943356336 32.065 3 S 0.83095177269015 0.01097159967446 0.75831056643664 32.065 4 S 0.66904822730985 0.98902840032554 0.25831056643664 32.065 5 S 0.83095177269015 0.48902840032554 0.75831056643664 32.065 6 S 0.66904822730985 0.51097159967446 0.25831056643664 32.065 7 S 0.16904822730985 0.98902840032554 0.24168943356336 32.065 8 S 0.33095177269015 0.01097159967446 0.74168943356336 32.065 9 S 0.92830226905878 0.75000000000000 0.25469939852955 32.065 10 S 0.57169773094122 0.25000000000000 0.75469939852955 32.065 11 S 0.07169773094122 0.25000000000000 0.74530060147045 32.065 12 S 0.42830226905878 0.75000000000000 0.24530060147045 32.065 13 S 0.08987134674136 0.75000000000000 0.77404650220287 32.065 14 S 0.41012865325864 0.25000000000000 0.27404650220287 32.065 15 S 0.91012865325864 0.25000000000000 0.22595349779713 32.065 16 S 0.58987134674136 0.75000000000000 0.72595349779713 32.065 17 Zn 0.59162451510066 0.75000000000000 0.09196477771459 65.380 18 Zn 0.90837548489934 0.25000000000000 0.59196477771459 65.380 19 Zn 0.40837548489934 0.25000000000000 0.90803522228541 65.380 20 Zn 0.09162451510066 0.75000000000000 0.40803522228541 65.380 21 Tm 0.76463143796944 0.75000000000000 0.50411807215822 168.934 22 Tm 0.73536856203056 0.25000000000000 0.00411807215822 168.934 23 Tm 0.23536856203056 0.25000000000000 0.49588192784178 168.934 24 Tm 0.26463143796944 0.75000000000000 0.99588192784178 168.934 25 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 26 Tm 0.00000000000000 0.50000000000000 0.00000000000000 168.934 27 Tm 0.50000000000000 0.00000000000000 0.50000000000000 168.934 28 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.191599979999998 0.000000000000000 0.000000000000000 b 0.000000000000000 15.384111780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.402976999999998 Atomic positions (fractional): 1 S 0.16904822730985 0.25548579983723 0.12084471678168 32.065 > 1 2 S 0.16904822730985 0.75548579983723 0.12084471678168 32.065 > 1 3 S 0.16904822730985 0.25548579983723 0.62084471678168 32.065 > 1 4 S 0.16904822730985 0.75548579983723 0.62084471678168 32.065 > 1 5 S 0.33095177269015 0.24451420016277 0.37084471678168 32.065 > 5 6 S 0.33095177269015 0.74451420016277 0.37084471678168 32.065 > 5 7 S 0.33095177269015 0.24451420016277 0.87084471678168 32.065 > 5 8 S 0.33095177269015 0.74451420016277 0.87084471678168 32.065 > 5 9 S 0.83095177269015 0.00548579983723 0.37915528321832 32.065 > 9 10 S 0.83095177269015 0.50548579983723 0.37915528321832 32.065 > 9 11 S 0.83095177269015 0.00548579983723 0.87915528321832 32.065 > 9 12 S 0.83095177269015 0.50548579983723 0.87915528321832 32.065 > 9 13 S 0.66904822730985 0.49451420016277 0.12915528321832 32.065 > 13 14 S 0.66904822730985 0.99451420016277 0.12915528321832 32.065 > 13 15 S 0.66904822730985 0.49451420016277 0.62915528321832 32.065 > 13 16 S 0.66904822730985 0.99451420016277 0.62915528321832 32.065 > 13 17 S 0.83095177269015 0.24451420016277 0.37915528321832 32.065 > 17 18 S 0.83095177269015 0.74451420016277 0.37915528321832 32.065 > 17 19 S 0.83095177269015 0.24451420016277 0.87915528321832 32.065 > 17 20 S 0.83095177269015 0.74451420016277 0.87915528321832 32.065 > 17 21 S 0.66904822730985 0.25548579983723 0.12915528321832 32.065 > 21 22 S 0.66904822730985 0.75548579983723 0.12915528321832 32.065 > 21 23 S 0.66904822730985 0.25548579983723 0.62915528321832 32.065 > 21 24 S 0.66904822730985 0.75548579983723 0.62915528321832 32.065 > 21 25 S 0.16904822730985 0.49451420016277 0.12084471678168 32.065 > 25 26 S 0.16904822730985 0.99451420016277 0.12084471678168 32.065 > 25 27 S 0.16904822730985 0.49451420016277 0.62084471678168 32.065 > 25 28 S 0.16904822730985 0.99451420016277 0.62084471678168 32.065 > 25 29 S 0.33095177269015 0.00548579983723 0.37084471678168 32.065 > 29 30 S 0.33095177269015 0.50548579983723 0.37084471678168 32.065 > 29 31 S 0.33095177269015 0.00548579983723 0.87084471678168 32.065 > 29 32 S 0.33095177269015 0.50548579983723 0.87084471678168 32.065 > 29 33 S 0.92830226905878 0.37500000000000 0.12734969926478 32.065 > 33 34 S 0.92830226905878 0.87500000000000 0.12734969926478 32.065 > 33 35 S 0.92830226905878 0.37500000000000 0.62734969926478 32.065 > 33 36 S 0.92830226905878 0.87500000000000 0.62734969926478 32.065 > 33 37 S 0.57169773094122 0.12500000000000 0.37734969926478 32.065 > 37 38 S 0.57169773094122 0.62500000000000 0.37734969926478 32.065 > 37 39 S 0.57169773094122 0.12500000000000 0.87734969926478 32.065 > 37 40 S 0.57169773094122 0.62500000000000 0.87734969926478 32.065 > 37 41 S 0.07169773094122 0.12500000000000 0.37265030073522 32.065 > 41 42 S 0.07169773094122 0.62500000000000 0.37265030073522 32.065 > 41 43 S 0.07169773094122 0.12500000000000 0.87265030073522 32.065 > 41 44 S 0.07169773094122 0.62500000000000 0.87265030073522 32.065 > 41 45 S 0.42830226905878 0.37500000000000 0.12265030073522 32.065 > 45 46 S 0.42830226905878 0.87500000000000 0.12265030073522 32.065 > 45 47 S 0.42830226905878 0.37500000000000 0.62265030073522 32.065 > 45 48 S 0.42830226905878 0.87500000000000 0.62265030073522 32.065 > 45 49 S 0.08987134674136 0.37500000000000 0.38702325110144 32.065 > 49 50 S 0.08987134674136 0.87500000000000 0.38702325110144 32.065 > 49 51 S 0.08987134674136 0.37500000000000 0.88702325110144 32.065 > 49 52 S 0.08987134674136 0.87500000000000 0.88702325110144 32.065 > 49 53 S 0.41012865325864 0.12500000000000 0.13702325110144 32.065 > 53 54 S 0.41012865325864 0.62500000000000 0.13702325110144 32.065 > 53 55 S 0.41012865325864 0.12500000000000 0.63702325110144 32.065 > 53 56 S 0.41012865325864 0.62500000000000 0.63702325110144 32.065 > 53 57 S 0.91012865325864 0.12500000000000 0.11297674889856 32.065 > 57 58 S 0.91012865325864 0.62500000000000 0.11297674889856 32.065 > 57 59 S 0.91012865325864 0.12500000000000 0.61297674889856 32.065 > 57 60 S 0.91012865325864 0.62500000000000 0.61297674889856 32.065 > 57 61 S 0.58987134674136 0.37500000000000 0.36297674889856 32.065 > 61 62 S 0.58987134674136 0.87500000000000 0.36297674889856 32.065 > 61 63 S 0.58987134674136 0.37500000000000 0.86297674889856 32.065 > 61 64 S 0.58987134674136 0.87500000000000 0.86297674889856 32.065 > 61 65 Zn 0.59162451510066 0.37500000000000 0.04598238885729 65.380 > 65 66 Zn 0.59162451510066 0.87500000000000 0.04598238885729 65.380 > 65 67 Zn 0.59162451510066 0.37500000000000 0.54598238885729 65.380 > 65 68 Zn 0.59162451510066 0.87500000000000 0.54598238885729 65.380 > 65 69 Zn 0.90837548489934 0.12500000000000 0.29598238885729 65.380 > 69 70 Zn 0.90837548489934 0.62500000000000 0.29598238885729 65.380 > 69 71 Zn 0.90837548489934 0.12500000000000 0.79598238885729 65.380 > 69 72 Zn 0.90837548489934 0.62500000000000 0.79598238885729 65.380 > 69 73 Zn 0.40837548489934 0.12500000000000 0.45401761114271 65.380 > 73 74 Zn 0.40837548489934 0.62500000000000 0.45401761114271 65.380 > 73 75 Zn 0.40837548489934 0.12500000000000 0.95401761114271 65.380 > 73 76 Zn 0.40837548489934 0.62500000000000 0.95401761114271 65.380 > 73 77 Zn 0.09162451510066 0.37500000000000 0.20401761114271 65.380 > 77 78 Zn 0.09162451510066 0.87500000000000 0.20401761114271 65.380 > 77 79 Zn 0.09162451510066 0.37500000000000 0.70401761114271 65.380 > 77 80 Zn 0.09162451510066 0.87500000000000 0.70401761114271 65.380 > 77 81 Tm 0.76463143796944 0.37500000000000 0.25205903607911 168.934 > 81 82 Tm 0.76463143796944 0.87500000000000 0.25205903607911 168.934 > 81 83 Tm 0.76463143796944 0.37500000000000 0.75205903607911 168.934 > 81 84 Tm 0.76463143796944 0.87500000000000 0.75205903607911 168.934 > 81 85 Tm 0.73536856203056 0.12500000000000 0.00205903607911 168.934 > 85 86 Tm 0.73536856203056 0.62500000000000 0.00205903607911 168.934 > 85 87 Tm 0.73536856203056 0.12500000000000 0.50205903607911 168.934 > 85 88 Tm 0.73536856203056 0.62500000000000 0.50205903607911 168.934 > 85 89 Tm 0.23536856203056 0.12500000000000 0.24794096392089 168.934 > 89 90 Tm 0.23536856203056 0.62500000000000 0.24794096392089 168.934 > 89 91 Tm 0.23536856203056 0.12500000000000 0.74794096392089 168.934 > 89 92 Tm 0.23536856203056 0.62500000000000 0.74794096392089 168.934 > 89 93 Tm 0.26463143796944 0.37500000000000 0.49794096392089 168.934 > 93 94 Tm 0.26463143796944 0.87500000000000 0.49794096392089 168.934 > 93 95 Tm 0.26463143796944 0.37500000000000 0.99794096392089 168.934 > 93 96 Tm 0.26463143796944 0.87500000000000 0.99794096392089 168.934 > 93 97 Tm 0.50000000000000 0.25000000000000 0.25000000000000 168.934 > 97 98 Tm 0.50000000000000 0.75000000000000 0.25000000000000 168.934 > 97 99 Tm 0.50000000000000 0.25000000000000 0.75000000000000 168.934 > 97 100 Tm 0.50000000000000 0.75000000000000 0.75000000000000 168.934 > 97 101 Tm 0.00000000000000 0.25000000000000 0.00000000000000 168.934 > 101 102 Tm 0.00000000000000 0.75000000000000 0.00000000000000 168.934 > 101 103 Tm 0.00000000000000 0.25000000000000 0.50000000000000 168.934 > 101 104 Tm 0.00000000000000 0.75000000000000 0.50000000000000 168.934 > 101 105 Tm 0.50000000000000 0.00000000000000 0.25000000000000 168.934 > 105 106 Tm 0.50000000000000 0.50000000000000 0.25000000000000 168.934 > 105 107 Tm 0.50000000000000 0.00000000000000 0.75000000000000 168.934 > 105 108 Tm 0.50000000000000 0.50000000000000 0.75000000000000 168.934 > 105 109 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 109 110 Tm 0.00000000000000 0.50000000000000 0.00000000000000 168.934 > 109 111 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 109 112 Tm 0.00000000000000 0.50000000000000 0.50000000000000 168.934 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.2409075 0.0000000 0.0000000 0.0000000 6.4126774 0.0000000 0.0000000 0.0000000 6.3387497 -------------------------- Born effective charges -------------------------- 1 S -2.3599244 0.1782404 -0.3155850 0.1345939 -2.8461160 0.6624535 -0.3369767 0.7070547 -2.2940611 2 S -2.3599244 0.1782404 0.3155850 0.1345939 -2.8461160 -0.6624535 0.3369767 -0.7070547 -2.2940611 3 S -2.3599244 -0.1782404 -0.3155850 -0.1345939 -2.8461160 -0.6624535 -0.3369767 -0.7070547 -2.2940611 4 S -2.3599244 -0.1782404 0.3155850 -0.1345939 -2.8461160 0.6624535 0.3369767 0.7070547 -2.2940611 5 S -2.3599244 0.1782404 -0.3155850 0.1345939 -2.8461160 0.6624535 -0.3369767 0.7070547 -2.2940611 6 S -2.3599244 0.1782404 0.3155850 0.1345939 -2.8461160 -0.6624535 0.3369767 -0.7070547 -2.2940611 7 S -2.3599244 -0.1782404 -0.3155850 -0.1345939 -2.8461160 -0.6624535 -0.3369767 -0.7070547 -2.2940611 8 S -2.3599244 -0.1782404 0.3155850 -0.1345939 -2.8461160 0.6624535 0.3369767 0.7070547 -2.2940611 9 S -2.8301120 0.0000000 0.7715589 0.0000000 -2.2953296 0.0000000 0.7684483 0.0000000 -2.3568373 10 S -2.8301120 0.0000000 -0.7715589 0.0000000 -2.2953296 0.0000000 -0.7684483 0.0000000 -2.3568373 11 S -2.8301120 0.0000000 0.7715589 0.0000000 -2.2953296 0.0000000 0.7684483 0.0000000 -2.3568373 12 S -2.8301120 0.0000000 -0.7715589 0.0000000 -2.2953296 0.0000000 -0.7684483 0.0000000 -2.3568373 13 S -2.3124539 0.0000000 0.0310348 0.0000000 -2.2615035 0.0000000 0.0477115 0.0000000 -2.7020239 14 S -2.3124539 0.0000000 -0.0310348 0.0000000 -2.2615035 0.0000000 -0.0477115 0.0000000 -2.7020239 15 S -2.3124539 0.0000000 0.0310348 0.0000000 -2.2615035 0.0000000 0.0477115 0.0000000 -2.7020239 16 S -2.3124539 0.0000000 -0.0310348 0.0000000 -2.2615035 0.0000000 -0.0477115 0.0000000 -2.7020239 17 Zn 1.5764149 0.0000000 -0.0046578 0.0000000 1.6692532 0.0000000 0.0082735 0.0000000 2.2796745 18 Zn 1.5764149 0.0000000 0.0046578 0.0000000 1.6692532 0.0000000 -0.0082735 0.0000000 2.2796745 19 Zn 1.5764149 0.0000000 -0.0046578 0.0000000 1.6692532 0.0000000 0.0082735 0.0000000 2.2796745 20 Zn 1.5764149 0.0000000 0.0046578 0.0000000 1.6692532 0.0000000 -0.0082735 0.0000000 2.2796745 21 Tm 4.6316826 0.0000000 0.1985272 0.0000000 4.2977492 0.0000000 0.1124512 0.0000000 3.8686639 22 Tm 4.6316826 0.0000000 -0.1985272 0.0000000 4.2977492 0.0000000 -0.1124512 0.0000000 3.8686639 23 Tm 4.6316826 0.0000000 0.1985272 0.0000000 4.2977492 0.0000000 0.1124512 0.0000000 3.8686639 24 Tm 4.6316826 0.0000000 -0.1985272 0.0000000 4.2977492 0.0000000 -0.1124512 0.0000000 3.8686639 25 Tm 3.6543172 0.6461100 -0.1969867 0.6008088 4.2820628 -0.5360822 -0.2243028 -0.4359034 3.4986451 26 Tm 3.6543172 0.6461100 0.1969867 0.6008088 4.2820628 0.5360822 0.2243028 0.4359034 3.4986451 27 Tm 3.6543172 -0.6461100 -0.1969867 -0.6008088 4.2820628 0.5360822 -0.2243028 0.4359034 3.4986451 28 Tm 3.6543172 -0.6461100 0.1969867 -0.6008088 4.2820628 -0.5360822 0.2243028 -0.4359034 3.4986451 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 7 8 ] 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: 0.48, Number of G-points: 293, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 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 1.066 ( 0.000 0.000 0.000) 0.000 1.372 ( 0.000 0.000 0.000) 0.000 1.446 ( 0.000 0.000 0.000) 0.000 1.456 ( 0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 1.618 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.799 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 2.086 ( 0.000 0.000 0.000) 0.000 2.152 ( 0.000 0.000 0.000) 0.000 2.192 ( 0.000 0.000 0.000) 0.000 2.228 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.278 ( 0.000 0.000 0.000) 0.000 2.368 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.688 ( 0.000 0.000 0.000) 0.000 4.162 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.803 ( 0.000 0.000 0.000) 0.000 5.242 ( 0.000 0.000 0.000) 0.000 5.829 ( 0.000 0.000 0.000) 0.000 5.853 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.128 ( 0.000 0.000 0.000) 0.000 6.195 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 6.566 ( 0.000 0.000 0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 6.603 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.617 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 6.665 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 6.789 ( 0.000 0.000 0.000) 0.000 6.851 ( 0.000 0.000 0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 6.890 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 6.991 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.222 ( 0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.400 ( 0.000 0.000 0.000) 0.000 7.608 ( 0.000 0.000 0.000) 0.000 7.636 ( 0.000 0.000 0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 8.011 ( 0.000 0.000 0.000) 0.000 8.391 ( 0.000 0.000 0.000) 0.000 8.760 ( 0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 8.939 ( 0.000 0.000 0.000) 0.000 9.163 ( 0.000 0.000 0.000) 0.000 9.280 ( 0.000 0.000 0.000) 0.000 9.438 ( 0.000 0.000 0.000) 0.000 9.818 ( 0.000 0.000 0.000) 0.000 9.837 ( 0.000 0.000 0.000) 0.000 9.964 ( 0.000 0.000 0.000) 0.000 10.125 ( 0.000 0.000 0.000) 0.000 10.437 ( 0.000 0.000 0.000) 0.000 10.470 ( 0.000 0.000 0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 11.098 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 20.984 0.000 0.000) 20.984 0.458 ( 23.349 0.000 0.000) 23.349 0.790 ( 39.912 0.000 0.000) 39.912 1.025 ( -7.143 0.000 0.000) 7.143 1.234 ( -14.738 0.000 0.000) 14.738 1.324 ( -0.568 0.000 0.000) 0.568 1.437 ( -2.104 0.000 0.000) 2.104 1.664 ( 2.803 0.000 0.000) 2.803 1.737 ( -1.239 0.000 0.000) 1.239 1.754 ( 10.226 0.000 0.000) 10.226 1.879 ( 7.914 0.000 0.000) 7.914 1.924 ( -6.635 0.000 0.000) 6.635 2.083 ( 0.181 0.000 0.000) 0.181 2.152 ( -3.262 0.000 0.000) 3.262 2.176 ( 2.605 0.000 0.000) 2.605 2.182 ( -4.592 0.000 0.000) 4.592 2.240 ( 0.698 0.000 0.000) 0.698 2.279 ( -0.469 0.000 0.000) 0.469 2.353 ( -25.616 0.000 0.000) 25.616 2.375 ( -3.426 0.000 0.000) 3.426 2.540 ( -0.814 0.000 0.000) 0.814 2.573 ( 1.194 0.000 0.000) 1.194 2.827 ( 1.164 0.000 0.000) 1.164 3.033 ( -10.181 0.000 0.000) 10.181 3.050 ( 0.930 0.000 0.000) 0.930 3.102 ( 2.346 0.000 0.000) 2.346 3.780 ( 15.474 0.000 0.000) 15.474 3.845 ( 12.702 0.000 0.000) 12.702 4.045 ( -4.606 0.000 0.000) 4.606 4.204 ( -8.248 0.000 0.000) 8.248 4.251 ( -6.251 0.000 0.000) 6.251 4.344 ( 1.398 0.000 0.000) 1.398 4.409 ( 1.609 0.000 0.000) 1.609 4.655 ( 3.593 0.000 0.000) 3.593 4.812 ( 5.536 0.000 0.000) 5.536 5.187 ( -6.528 0.000 0.000) 6.528 5.816 ( -0.147 0.000 0.000) 0.147 5.846 ( -0.797 0.000 0.000) 0.797 5.916 ( 3.829 0.000 0.000) 3.829 5.923 ( 1.576 0.000 0.000) 1.576 6.089 ( -1.263 0.000 0.000) 1.263 6.167 ( -2.907 0.000 0.000) 2.907 6.399 ( 1.866 0.000 0.000) 1.866 6.525 ( -3.746 0.000 0.000) 3.746 6.565 ( 0.002 0.000 0.000) 0.002 6.581 ( -0.392 0.000 0.000) 0.392 6.588 ( -1.204 0.000 0.000) 1.204 6.603 ( -1.639 0.000 0.000) 1.639 6.638 ( 0.431 0.000 0.000) 0.431 6.639 ( 0.852 0.000 0.000) 0.852 6.642 ( 2.445 0.000 0.000) 2.445 6.750 ( 2.332 0.000 0.000) 2.332 6.782 ( -4.232 0.000 0.000) 4.232 6.862 ( -2.302 0.000 0.000) 2.302 6.880 ( 6.839 0.000 0.000) 6.839 6.931 ( 3.366 0.000 0.000) 3.366 6.963 ( 0.890 0.000 0.000) 0.890 6.988 ( -0.314 0.000 0.000) 0.314 7.024 ( -1.264 0.000 0.000) 1.264 7.139 ( -6.407 0.000 0.000) 6.407 7.194 ( 3.369 0.000 0.000) 3.369 7.365 ( -3.520 0.000 0.000) 3.520 7.452 ( 5.613 0.000 0.000) 5.613 7.614 ( -2.290 0.000 0.000) 2.290 7.646 ( 3.921 0.000 0.000) 3.921 7.883 ( -6.640 0.000 0.000) 6.640 8.022 ( 1.221 0.000 0.000) 1.221 8.113 ( -2.807 0.000 0.000) 2.807 8.459 ( 5.945 0.000 0.000) 5.945 8.689 ( -5.151 0.000 0.000) 5.151 8.854 ( 2.995 0.000 0.000) 2.995 8.888 ( 3.786 0.000 0.000) 3.786 8.930 ( -0.980 0.000 0.000) 0.980 9.086 ( -5.649 0.000 0.000) 5.649 9.362 ( 6.230 0.000 0.000) 6.230 9.594 ( -4.783 0.000 0.000) 4.783 9.841 ( 2.019 0.000 0.000) 2.019 9.932 ( -2.544 0.000 0.000) 2.544 10.173 ( 4.093 0.000 0.000) 4.093 10.273 ( -0.363 0.000 0.000) 0.363 10.440 ( 0.494 0.000 0.000) 0.494 10.562 ( -6.012 0.000 0.000) 6.012 10.893 ( 6.176 0.000 0.000) 6.176 11.073 ( -2.583 0.000 0.000) 2.583 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -17.157 0.000 0.000) 17.157 0.779 ( 17.157 0.000 0.000) 17.157 0.870 ( -19.719 0.000 0.000) 19.719 0.870 ( 19.719 0.000 0.000) 19.719 1.376 ( -4.029 0.000 0.000) 4.029 1.376 ( 4.029 0.000 0.000) 4.029 1.545 ( -33.903 0.000 0.000) 33.903 1.545 ( 33.903 0.000 0.000) 33.903 1.707 ( -1.857 0.000 0.000) 1.857 1.707 ( 1.857 0.000 0.000) 1.857 1.947 ( -11.609 0.000 0.000) 11.609 1.947 ( 11.609 0.000 0.000) 11.609 2.052 ( -8.950 0.000 0.000) 8.950 2.052 ( 8.950 0.000 0.000) 8.950 2.101 ( -1.789 0.000 0.000) 1.789 2.101 ( 1.789 0.000 0.000) 1.789 2.260 ( -1.250 0.000 0.000) 1.250 2.260 ( 1.250 0.000 0.000) 1.250 2.280 ( -5.864 0.000 0.000) 5.864 2.280 ( 5.864 0.000 0.000) 5.864 2.572 ( -1.521 0.000 0.000) 1.521 2.572 ( 1.521 0.000 0.000) 1.521 2.881 ( -5.165 0.000 0.000) 5.165 2.881 ( 5.165 0.000 0.000) 5.165 3.086 ( -2.429 0.000 0.000) 2.429 3.086 ( 2.429 0.000 0.000) 2.429 3.991 ( -3.380 0.000 0.000) 3.380 3.991 ( 3.380 0.000 0.000) 3.380 4.082 ( -11.268 0.000 0.000) 11.268 4.082 ( 11.268 0.000 0.000) 11.268 4.190 ( -8.753 0.000 0.000) 8.753 4.190 ( 8.753 0.000 0.000) 8.753 4.569 ( -8.558 0.000 0.000) 8.558 4.569 ( 8.558 0.000 0.000) 8.558 5.013 ( -11.324 0.000 0.000) 11.324 5.013 ( 11.324 0.000 0.000) 11.324 5.826 ( -1.014 0.000 0.000) 1.014 5.826 ( 1.014 0.000 0.000) 1.014 5.954 ( -0.683 0.000 0.000) 0.683 5.954 ( 0.683 0.000 0.000) 0.683 6.100 ( -3.090 0.000 0.000) 3.090 6.100 ( 3.090 0.000 0.000) 3.090 6.451 ( -3.572 0.000 0.000) 3.572 6.451 ( 3.572 0.000 0.000) 3.572 6.570 ( -0.613 0.000 0.000) 0.613 6.570 ( 0.613 0.000 0.000) 0.613 6.581 ( -0.502 0.000 0.000) 0.502 6.581 ( 0.502 0.000 0.000) 0.502 6.649 ( -0.071 0.000 0.000) 0.071 6.649 ( 0.071 0.000 0.000) 0.071 6.703 ( -3.849 0.000 0.000) 3.849 6.703 ( 3.849 0.000 0.000) 3.849 6.806 ( -3.306 0.000 0.000) 3.306 6.806 ( 3.306 0.000 0.000) 3.306 6.979 ( -0.786 0.000 0.000) 0.786 6.979 ( 0.786 0.000 0.000) 0.786 6.988 ( -2.415 0.000 0.000) 2.415 6.988 ( 2.415 0.000 0.000) 2.415 7.012 ( -6.908 0.000 0.000) 6.908 7.012 ( 6.908 0.000 0.000) 6.908 7.279 ( -5.105 0.000 0.000) 5.105 7.279 ( 5.105 0.000 0.000) 5.105 7.550 ( -4.434 0.000 0.000) 4.434 7.550 ( 4.434 0.000 0.000) 4.434 7.750 ( -6.683 0.000 0.000) 6.683 7.750 ( 6.683 0.000 0.000) 6.683 8.058 ( -2.591 0.000 0.000) 2.591 8.058 ( 2.591 0.000 0.000) 2.591 8.579 ( -6.286 0.000 0.000) 6.286 8.579 ( 6.286 0.000 0.000) 6.286 8.902 ( -2.018 0.000 0.000) 2.018 8.902 ( 2.018 0.000 0.000) 2.018 8.979 ( -5.454 0.000 0.000) 5.454 8.979 ( 5.454 0.000 0.000) 5.454 9.484 ( -6.395 0.000 0.000) 6.395 9.484 ( 6.395 0.000 0.000) 6.395 9.884 ( -2.431 0.000 0.000) 2.431 9.884 ( 2.431 0.000 0.000) 2.431 10.245 ( -2.848 0.000 0.000) 2.848 10.245 ( 2.848 0.000 0.000) 2.848 10.470 ( -3.168 0.000 0.000) 3.168 10.470 ( 3.168 0.000 0.000) 3.168 11.002 ( -4.917 0.000 0.000) 4.917 11.002 ( 4.917 0.000 0.000) 4.917 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 0.000 21.605 0.000) 21.605 0.420 ( 0.000 22.301 0.000) 22.301 0.831 ( 0.000 43.714 0.000) 43.714 1.205 ( 0.000 12.880 0.000) 12.880 1.436 ( 0.000 -0.797 0.000) 0.797 1.438 ( 0.000 6.049 0.000) 6.049 1.563 ( 0.000 7.753 0.000) 7.753 1.589 ( 0.000 -2.957 0.000) 2.957 1.621 ( 0.000 2.850 0.000) 2.850 1.742 ( 0.000 0.093 0.000) 0.093 1.811 ( 0.000 1.048 0.000) 1.048 2.000 ( 0.000 2.556 0.000) 2.556 2.081 ( 0.000 -6.748 0.000) 6.748 2.097 ( 0.000 1.432 0.000) 1.432 2.138 ( 0.000 -0.883 0.000) 0.883 2.242 ( 0.000 -3.025 0.000) 3.025 2.267 ( 0.000 2.999 0.000) 2.999 2.397 ( 0.000 7.404 0.000) 7.404 2.416 ( 0.000 3.974 0.000) 3.974 2.465 ( 0.000 -0.978 0.000) 0.978 2.530 ( 0.000 -1.850 0.000) 1.850 2.813 ( 0.000 2.071 0.000) 2.071 2.913 ( 0.000 5.866 0.000) 5.866 3.007 ( 0.000 5.620 0.000) 5.620 3.036 ( 0.000 0.508 0.000) 0.508 3.339 ( 0.000 7.979 0.000) 7.979 3.555 ( 0.000 -4.357 0.000) 4.357 3.600 ( 0.000 -9.534 0.000) 9.534 4.119 ( 0.000 -8.110 0.000) 8.110 4.198 ( 0.000 -5.111 0.000) 5.111 4.207 ( 0.000 4.877 0.000) 4.877 4.272 ( 0.000 -4.422 0.000) 4.422 4.362 ( 0.000 -0.961 0.000) 0.961 4.432 ( 0.000 -6.239 0.000) 6.239 4.744 ( 0.000 -5.952 0.000) 5.952 5.186 ( 0.000 -5.882 0.000) 5.882 5.855 ( 0.000 2.577 0.000) 2.577 5.886 ( 0.000 2.310 0.000) 2.310 5.895 ( 0.000 4.074 0.000) 4.074 6.102 ( 0.000 -1.815 0.000) 1.815 6.158 ( 0.000 5.294 0.000) 5.294 6.236 ( 0.000 3.351 0.000) 3.351 6.385 ( 0.000 0.304 0.000) 0.304 6.564 ( 0.000 -0.385 0.000) 0.385 6.564 ( 0.000 -0.181 0.000) 0.181 6.577 ( 0.000 -0.697 0.000) 0.697 6.613 ( 0.000 0.540 0.000) 0.540 6.621 ( 0.000 1.925 0.000) 1.925 6.628 ( 0.000 1.021 0.000) 1.021 6.666 ( 0.000 0.356 0.000) 0.356 6.674 ( 0.000 1.256 0.000) 1.256 6.719 ( 0.000 -0.643 0.000) 0.643 6.790 ( 0.000 0.162 0.000) 0.162 6.836 ( 0.000 -2.061 0.000) 2.061 6.851 ( 0.000 1.607 0.000) 1.607 6.943 ( 0.000 3.832 0.000) 3.832 6.952 ( 0.000 0.550 0.000) 0.550 6.976 ( 0.000 -1.652 0.000) 1.652 7.015 ( 0.000 -5.391 0.000) 5.391 7.121 ( 0.000 0.982 0.000) 0.982 7.189 ( 0.000 -3.949 0.000) 3.949 7.304 ( 0.000 -5.028 0.000) 5.028 7.358 ( 0.000 -2.071 0.000) 2.071 7.587 ( 0.000 8.490 0.000) 8.490 7.611 ( 0.000 -2.682 0.000) 2.682 7.744 ( 0.000 11.748 0.000) 11.748 7.976 ( 0.000 1.717 0.000) 1.717 7.997 ( 0.000 -0.708 0.000) 0.708 8.759 ( 0.000 -0.038 0.000) 0.038 8.839 ( 0.000 -1.040 0.000) 1.040 8.860 ( 0.000 5.239 0.000) 5.239 8.912 ( 0.000 -2.621 0.000) 2.621 9.141 ( 0.000 -2.210 0.000) 2.210 9.276 ( 0.000 -0.429 0.000) 0.429 9.463 ( 0.000 2.374 0.000) 2.374 9.786 ( 0.000 -2.802 0.000) 2.802 9.870 ( 0.000 3.419 0.000) 3.419 9.944 ( 0.000 2.509 0.000) 2.509 9.962 ( 0.000 -0.101 0.000) 0.101 10.129 ( 0.000 -0.054 0.000) 0.054 10.452 ( 0.000 2.252 0.000) 2.252 10.472 ( 0.000 0.351 0.000) 0.351 10.784 ( 0.000 -2.675 0.000) 2.675 11.067 ( 0.000 -3.302 0.000) 3.302 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 14.784 13.742 0.000) 20.185 0.617 ( 16.848 14.768 0.000) 22.404 1.139 ( -9.321 10.095 0.000) 13.740 1.141 ( 24.201 30.490 0.000) 38.927 1.268 ( -11.092 4.007 0.000) 11.793 1.392 ( 0.346 6.392 0.000) 6.401 1.540 ( -2.010 8.470 0.000) 8.705 1.641 ( 2.871 -2.513 0.000) 3.815 1.699 ( 1.592 -2.748 0.000) 3.176 1.771 ( 5.971 1.689 0.000) 6.206 1.859 ( 4.472 -1.029 0.000) 4.589 1.972 ( -4.005 3.280 0.000) 5.176 2.043 ( -3.439 -6.073 0.000) 6.979 2.124 ( 1.949 3.205 0.000) 3.751 2.161 ( 3.526 -0.071 0.000) 3.527 2.237 ( -1.095 -3.057 0.000) 3.247 2.279 ( 1.372 3.314 0.000) 3.587 2.303 ( -4.954 7.373 0.000) 8.883 2.395 ( -20.941 5.228 0.000) 21.583 2.427 ( -2.389 4.163 0.000) 4.800 2.535 ( -5.494 0.205 0.000) 5.498 2.547 ( 1.021 -2.128 0.000) 2.361 2.872 ( 1.033 4.277 0.000) 4.400 3.010 ( -3.067 0.110 0.000) 3.069 3.131 ( 1.907 3.296 0.000) 3.808 3.175 ( -8.228 8.246 0.000) 11.648 3.738 ( 15.325 -4.407 0.000) 15.947 3.777 ( 12.483 -7.393 0.000) 14.508 4.047 ( -3.405 -0.807 0.000) 3.500 4.164 ( -9.481 -4.181 0.000) 10.362 4.232 ( -5.167 -2.186 0.000) 5.610 4.237 ( -1.217 -9.174 0.000) 9.254 4.341 ( 9.424 -2.986 0.000) 9.886 4.592 ( 2.837 -6.297 0.000) 6.906 4.764 ( 6.102 -4.870 0.000) 7.807 5.125 ( -6.292 -5.936 0.000) 8.651 5.848 ( 0.228 3.159 0.000) 3.167 5.889 ( -0.750 4.021 0.000) 4.091 5.933 ( 3.471 1.600 0.000) 3.822 6.011 ( -4.067 3.763 0.000) 5.541 6.141 ( -1.238 5.319 0.000) 5.461 6.196 ( -2.813 3.317 0.000) 4.349 6.431 ( 2.607 2.057 0.000) 3.321 6.524 ( -2.542 0.213 0.000) 2.551 6.565 ( -1.610 -0.469 0.000) 1.677 6.573 ( -0.186 -0.781 0.000) 0.803 6.602 ( -0.521 1.003 0.000) 1.130 6.605 ( -1.865 1.838 0.000) 2.618 6.638 ( 0.090 0.207 0.000) 0.225 6.642 ( -0.326 0.594 0.000) 0.677 6.660 ( 2.357 1.251 0.000) 2.668 6.742 ( 2.366 -0.490 0.000) 2.416 6.789 ( -3.352 0.144 0.000) 3.355 6.855 ( -2.044 -0.154 0.000) 2.050 6.875 ( 6.314 -0.468 0.000) 6.331 6.950 ( 0.835 -0.342 0.000) 0.902 6.973 ( -0.254 -1.626 0.000) 1.646 6.980 ( 2.444 3.710 0.000) 4.443 7.036 ( 1.599 -1.814 0.000) 2.418 7.125 ( 0.958 -2.331 0.000) 2.520 7.126 ( -5.500 -1.766 0.000) 5.777 7.274 ( -3.543 -8.018 0.000) 8.766 7.434 ( 5.408 -2.030 0.000) 5.777 7.590 ( -2.230 -2.575 0.000) 3.407 7.747 ( 8.026 -2.654 0.000) 8.454 7.764 ( 1.902 9.907 0.000) 10.088 7.990 ( 1.811 0.888 0.000) 2.017 8.006 ( 0.853 -0.627 0.000) 1.059 8.739 ( -1.400 3.467 0.000) 3.739 8.857 ( -1.426 1.608 0.000) 2.149 8.879 ( 1.537 3.189 0.000) 3.540 8.881 ( -2.115 -0.864 0.000) 2.285 9.072 ( -16.545 21.423 0.000) 27.068 9.074 ( -4.987 -1.123 0.000) 5.112 9.356 ( 6.298 -0.703 0.000) 6.337 9.607 ( -6.376 1.100 0.000) 6.471 9.848 ( 1.991 1.031 0.000) 2.242 9.935 ( -2.263 0.323 0.000) 2.286 10.173 ( 3.843 -0.538 0.000) 3.880 10.233 ( 5.027 -3.790 0.000) 6.296 10.450 ( -0.186 1.768 0.000) 1.777 10.487 ( -1.017 -3.402 0.000) 3.551 10.850 ( 6.237 -3.514 0.000) 7.159 11.041 ( -2.705 -3.384 0.000) 4.332 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -16.206 8.652 0.000) 18.371 0.874 ( 16.206 8.652 0.000) 18.371 0.956 ( -16.927 8.402 0.000) 18.898 0.956 ( 16.927 8.402 0.000) 18.898 1.447 ( -2.998 7.019 0.000) 7.632 1.447 ( 2.998 7.019 0.000) 7.632 1.680 ( -0.155 -1.209 0.000) 1.219 1.680 ( 0.155 -1.209 0.000) 1.219 1.741 ( -23.253 16.499 0.000) 28.511 1.741 ( 23.253 16.499 0.000) 28.511 1.928 ( -8.150 -1.334 0.000) 8.259 1.928 ( 8.150 -1.334 0.000) 8.259 1.978 ( -0.490 -2.485 0.000) 2.533 1.978 ( 0.490 -2.485 0.000) 2.533 2.179 ( -4.124 1.359 0.000) 4.342 2.179 ( 4.124 1.359 0.000) 4.342 2.236 ( -2.709 2.772 0.000) 3.876 2.236 ( 2.709 2.772 0.000) 3.876 2.347 ( -5.116 4.502 0.000) 6.815 2.347 ( 5.116 4.502 0.000) 6.815 2.545 ( -1.240 -2.455 0.000) 2.751 2.545 ( 1.240 -2.455 0.000) 2.751 2.922 ( -4.430 3.394 0.000) 5.581 2.922 ( 4.430 3.394 0.000) 5.581 3.123 ( -0.940 4.203 0.000) 4.307 3.123 ( 0.940 4.203 0.000) 4.307 3.981 ( -6.463 -1.872 0.000) 6.729 3.981 ( 6.463 -1.872 0.000) 6.729 3.996 ( -9.195 -8.149 0.000) 12.286 3.996 ( 9.195 -8.149 0.000) 12.286 4.165 ( -1.535 -2.577 0.000) 3.000 4.165 ( 1.535 -2.577 0.000) 3.000 4.512 ( -7.926 -5.431 0.000) 9.608 4.512 ( 7.926 -5.431 0.000) 9.608 4.959 ( -10.820 -5.491 0.000) 12.133 4.959 ( 10.820 -5.491 0.000) 12.133 5.866 ( -1.405 3.805 0.000) 4.056 5.866 ( 1.405 3.805 0.000) 4.056 5.979 ( -0.990 1.824 0.000) 2.075 5.979 ( 0.990 1.824 0.000) 2.075 6.143 ( -2.009 4.589 0.000) 5.009 6.143 ( 2.009 4.589 0.000) 5.009 6.476 ( -2.413 2.559 0.000) 3.518 6.476 ( 2.413 2.559 0.000) 3.518 6.555 ( -0.795 -2.114 0.000) 2.258 6.555 ( 0.795 -2.114 0.000) 2.258 6.593 ( -0.417 1.997 0.000) 2.040 6.593 ( 0.417 1.997 0.000) 2.040 6.643 ( -0.006 -0.199 0.000) 0.199 6.643 ( 0.006 -0.199 0.000) 0.199 6.720 ( -3.595 1.047 0.000) 3.744 6.720 ( 3.595 1.047 0.000) 3.744 6.799 ( -3.354 -0.211 0.000) 3.360 6.799 ( 3.354 -0.211 0.000) 3.360 6.964 ( -0.381 -1.474 0.000) 1.522 6.964 ( 0.381 -1.474 0.000) 1.522 6.989 ( -4.099 -0.667 0.000) 4.153 6.989 ( 4.099 -0.667 0.000) 4.153 7.045 ( -0.412 3.691 0.000) 3.714 7.045 ( 0.412 3.691 0.000) 3.714 7.185 ( -4.955 -7.991 0.000) 9.403 7.185 ( 4.955 -7.991 0.000) 9.403 7.528 ( -4.237 -2.349 0.000) 4.845 7.528 ( 4.237 -2.349 0.000) 4.845 7.797 ( -0.860 4.048 0.000) 4.138 7.797 ( 0.860 4.048 0.000) 4.138 8.018 ( -0.165 -0.914 0.000) 0.929 8.018 ( 0.165 -0.914 0.000) 0.929 8.744 ( -3.178 10.196 0.000) 10.680 8.744 ( 3.178 10.196 0.000) 10.680 8.901 ( -0.169 0.199 0.000) 0.261 8.901 ( 0.169 0.199 0.000) 0.261 8.992 ( -2.578 3.009 0.000) 3.962 8.992 ( 2.578 3.009 0.000) 3.962 9.483 ( -6.804 -0.264 0.000) 6.809 9.483 ( 6.804 -0.264 0.000) 6.809 9.890 ( -2.311 0.775 0.000) 2.437 9.890 ( 2.311 0.775 0.000) 2.437 10.243 ( -2.579 -1.054 0.000) 2.786 10.243 ( 2.579 -1.054 0.000) 2.786 10.455 ( -1.111 -0.280 0.000) 1.145 10.455 ( 1.111 -0.280 0.000) 1.145 10.965 ( -5.266 -3.645 0.000) 6.404 10.965 ( 5.266 -3.645 0.000) 6.404 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.000 19.790 0.000) 19.790 0.817 ( 0.000 20.001 0.000) 20.001 1.430 ( 0.000 0.553 0.000) 0.553 1.448 ( 0.000 8.978 0.000) 8.978 1.523 ( 0.000 -1.597 0.000) 1.597 1.553 ( 0.000 5.513 0.000) 5.513 1.565 ( 0.000 17.122 0.000) 17.122 1.603 ( 0.000 -0.576 0.000) 0.576 1.665 ( 0.000 14.517 0.000) 14.517 1.823 ( 0.000 0.033 0.000) 0.033 1.846 ( 0.000 9.193 0.000) 9.193 2.008 ( 0.000 -2.227 0.000) 2.227 2.039 ( 0.000 4.738 0.000) 4.738 2.137 ( 0.000 0.982 0.000) 0.982 2.140 ( 0.000 2.485 0.000) 2.485 2.176 ( 0.000 -4.158 0.000) 4.158 2.332 ( 0.000 3.746 0.000) 3.746 2.458 ( 0.000 -0.079 0.000) 0.079 2.459 ( 0.000 -2.834 0.000) 2.834 2.509 ( 0.000 2.555 0.000) 2.555 2.519 ( 0.000 5.309 0.000) 5.309 2.919 ( 0.000 9.196 0.000) 9.196 3.042 ( 0.000 8.314 0.000) 8.314 3.102 ( 0.000 7.191 0.000) 7.191 3.159 ( 0.000 10.040 0.000) 10.040 3.336 ( 0.000 -18.759 0.000) 18.759 3.440 ( 0.000 -7.814 0.000) 7.814 3.512 ( 0.000 10.169 0.000) 10.169 3.902 ( 0.000 -14.555 0.000) 14.555 4.073 ( 0.000 -8.206 0.000) 8.206 4.146 ( 0.000 -8.751 0.000) 8.751 4.272 ( 0.000 -10.574 0.000) 10.574 4.342 ( 0.000 9.596 0.000) 9.596 4.350 ( 0.000 -0.007 0.000) 0.007 4.605 ( 0.000 -8.252 0.000) 8.252 5.029 ( 0.000 -10.723 0.000) 10.723 5.912 ( 0.000 3.152 0.000) 3.152 5.936 ( 0.000 2.686 0.000) 2.686 5.979 ( 0.000 4.252 0.000) 4.252 6.075 ( 0.000 -1.056 0.000) 1.056 6.286 ( 0.000 8.111 0.000) 8.111 6.298 ( 0.000 2.937 0.000) 2.937 6.385 ( 0.000 -0.432 0.000) 0.432 6.556 ( 0.000 -0.398 0.000) 0.398 6.558 ( 0.000 -0.531 0.000) 0.531 6.583 ( 0.000 1.741 0.000) 1.741 6.618 ( 0.000 0.072 0.000) 0.072 6.647 ( 0.000 0.704 0.000) 0.704 6.668 ( 0.000 2.624 0.000) 2.624 6.694 ( 0.000 3.252 0.000) 3.252 6.699 ( 0.000 -0.543 0.000) 0.543 6.723 ( 0.000 2.702 0.000) 2.702 6.794 ( 0.000 0.172 0.000) 0.172 6.795 ( 0.000 -2.376 0.000) 2.376 6.847 ( 0.000 -2.020 0.000) 2.020 6.878 ( 0.000 -7.333 0.000) 7.333 6.932 ( 0.000 -3.008 0.000) 3.008 7.002 ( 0.000 4.533 0.000) 4.533 7.020 ( 0.000 4.274 0.000) 4.274 7.079 ( 0.000 -7.164 0.000) 7.164 7.198 ( 0.000 5.750 0.000) 5.750 7.235 ( 0.000 -3.008 0.000) 3.008 7.303 ( 0.000 -3.831 0.000) 3.831 7.538 ( 0.000 -5.015 0.000) 5.015 7.750 ( 0.000 8.788 0.000) 8.788 7.964 ( 0.000 10.464 0.000) 10.464 8.005 ( 0.000 0.888 0.000) 0.888 8.011 ( 0.000 2.462 0.000) 2.462 8.762 ( 0.000 0.631 0.000) 0.631 8.815 ( 0.000 -1.327 0.000) 1.327 8.856 ( 0.000 -3.068 0.000) 3.068 8.947 ( 0.000 2.000 0.000) 2.000 9.100 ( 0.000 -0.664 0.000) 0.664 9.260 ( 0.000 -1.484 0.000) 1.484 9.518 ( 0.000 3.376 0.000) 3.376 9.726 ( 0.000 -3.585 0.000) 3.585 9.948 ( 0.000 4.411 0.000) 4.411 9.966 ( 0.000 0.741 0.000) 0.741 9.992 ( 0.000 2.433 0.000) 2.433 10.104 ( 0.000 -2.620 0.000) 2.620 10.488 ( 0.000 1.469 0.000) 1.469 10.538 ( 0.000 6.849 0.000) 6.849 10.714 ( 0.000 -4.672 0.000) 4.672 10.979 ( 0.000 -6.019 0.000) 6.019 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 6.809 16.502 0.000) 17.852 0.926 ( 10.303 17.053 0.000) 19.923 1.320 ( -12.860 8.492 0.000) 15.411 1.340 ( -8.192 4.268 0.000) 9.237 1.495 ( 1.589 1.614 0.000) 2.265 1.577 ( -1.997 -2.021 0.000) 2.841 1.583 ( 0.339 -2.486 0.000) 2.509 1.639 ( 0.954 -4.249 0.000) 4.355 1.797 ( 16.284 31.944 0.000) 35.855 1.851 ( 1.479 6.197 0.000) 6.371 1.866 ( 3.776 1.744 0.000) 4.159 1.990 ( -2.460 -1.209 0.000) 2.741 2.010 ( -2.496 4.422 0.000) 5.078 2.139 ( 0.857 1.105 0.000) 1.398 2.181 ( 0.082 -2.456 0.000) 2.458 2.227 ( 7.201 3.871 0.000) 8.175 2.346 ( 1.942 3.662 0.000) 4.145 2.430 ( -4.450 5.449 0.000) 7.036 2.466 ( 0.500 -0.173 0.000) 0.529 2.470 ( -0.306 -1.491 0.000) 1.522 2.526 ( -1.656 1.643 0.000) 2.333 2.667 ( -22.382 15.808 0.000) 27.402 2.968 ( -0.160 5.707 0.000) 5.709 3.038 ( -4.082 1.766 0.000) 4.448 3.223 ( 0.771 6.048 0.000) 6.097 3.304 ( -4.534 4.462 0.000) 6.362 3.601 ( 9.593 -9.119 0.000) 13.235 3.625 ( 14.111 -7.478 0.000) 15.971 3.965 ( 3.762 -8.182 0.000) 9.006 4.046 ( -9.378 -8.071 0.000) 12.373 4.055 ( -1.439 -10.059 0.000) 10.162 4.173 ( -4.050 -4.579 0.000) 6.113 4.364 ( 2.272 5.944 0.000) 6.363 4.459 ( 2.017 -6.291 0.000) 6.607 4.647 ( 6.684 -7.294 0.000) 9.893 4.974 ( -5.734 -10.184 0.000) 11.687 5.917 ( 0.916 3.725 0.000) 3.836 5.966 ( 2.362 1.730 0.000) 2.928 5.971 ( -0.845 4.120 0.000) 4.206 6.041 ( -2.516 0.467 0.000) 2.559 6.268 ( -1.464 7.813 0.000) 7.949 6.272 ( -1.597 4.269 0.000) 4.558 6.436 ( 3.731 -1.402 0.000) 3.986 6.530 ( -0.871 -0.378 0.000) 0.950 6.557 ( -1.463 0.178 0.000) 1.473 6.587 ( -0.227 2.473 0.000) 2.484 6.631 ( -0.165 0.511 0.000) 0.537 6.637 ( -3.150 3.466 0.000) 4.684 6.647 ( 1.348 -0.267 0.000) 1.374 6.670 ( -0.557 2.367 0.000) 2.431 6.694 ( -0.306 3.180 0.000) 3.195 6.743 ( 3.213 0.442 0.000) 3.243 6.772 ( -2.116 -1.714 0.000) 2.723 6.847 ( -0.620 -1.511 0.000) 1.634 6.859 ( 4.520 -1.813 0.000) 4.870 6.917 ( 3.663 -6.036 0.000) 7.061 6.934 ( 0.925 -3.410 0.000) 3.533 6.959 ( -2.310 1.969 0.000) 3.036 7.029 ( -3.251 -4.089 0.000) 5.224 7.086 ( 2.875 2.172 0.000) 3.603 7.158 ( -5.572 -3.521 0.000) 6.592 7.185 ( -1.381 5.711 0.000) 5.875 7.378 ( 5.035 -3.845 0.000) 6.335 7.519 ( -1.953 -4.824 0.000) 5.205 7.806 ( 4.628 6.331 0.000) 7.842 7.935 ( -2.226 7.421 0.000) 7.748 8.019 ( 1.350 1.245 0.000) 1.836 8.034 ( 1.408 3.694 0.000) 3.953 8.774 ( 1.381 0.980 0.000) 1.693 8.836 ( 1.953 -1.780 0.000) 2.643 8.846 ( -1.028 -2.272 0.000) 2.494 8.934 ( -1.610 -0.160 0.000) 1.618 9.082 ( -0.103 3.774 0.000) 3.775 9.332 ( 6.262 -2.039 0.000) 6.585 9.355 ( -13.637 9.769 0.000) 16.775 9.613 ( -7.805 -0.980 0.000) 7.866 9.894 ( 0.681 4.019 0.000) 4.076 9.949 ( -1.446 1.423 0.000) 2.029 10.135 ( 2.738 -3.486 0.000) 4.433 10.159 ( 5.701 -3.949 0.000) 6.935 10.484 ( 0.083 2.498 0.000) 2.499 10.527 ( -1.094 6.462 0.000) 6.554 10.771 ( 5.257 -4.999 0.000) 7.254 10.953 ( -2.761 -5.976 0.000) 6.583 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -13.675 10.241 0.000) 17.085 1.055 ( 13.675 10.241 0.000) 17.085 1.148 ( -11.648 11.359 0.000) 16.270 1.148 ( 11.648 11.359 0.000) 16.270 1.528 ( -2.276 -0.637 0.000) 2.363 1.528 ( 2.276 -0.637 0.000) 2.363 1.615 ( -2.533 -5.193 0.000) 5.778 1.615 ( 2.533 -5.193 0.000) 5.778 1.901 ( -2.435 3.000 0.000) 3.864 1.901 ( 2.435 3.000 0.000) 3.864 1.954 ( -1.449 1.019 0.000) 1.771 1.954 ( 1.449 1.019 0.000) 1.771 2.165 ( -0.339 1.212 0.000) 1.259 2.165 ( 0.339 1.212 0.000) 1.259 2.204 ( -21.691 23.338 0.000) 31.862 2.204 ( 21.691 23.338 0.000) 31.862 2.344 ( -3.900 7.005 0.000) 8.018 2.344 ( 3.900 7.005 0.000) 8.018 2.427 ( -5.185 3.570 0.000) 6.295 2.427 ( 5.185 3.570 0.000) 6.295 2.488 ( -0.917 -3.562 0.000) 3.678 2.488 ( 0.917 -3.562 0.000) 3.678 2.984 ( -1.746 2.865 0.000) 3.355 2.984 ( 1.746 2.865 0.000) 3.355 3.234 ( -1.721 7.250 0.000) 7.451 3.234 ( 1.721 7.250 0.000) 7.451 3.787 ( -5.205 -13.390 0.000) 14.366 3.787 ( 5.205 -13.390 0.000) 14.366 3.919 ( -3.492 -4.820 0.000) 5.952 3.919 ( 3.492 -4.820 0.000) 5.952 4.099 ( -4.118 -5.411 0.000) 6.800 4.099 ( 4.118 -5.411 0.000) 6.800 4.423 ( -3.588 -1.896 0.000) 4.058 4.423 ( 3.588 -1.896 0.000) 4.058 4.823 ( -9.672 -8.797 0.000) 13.075 4.823 ( 9.672 -8.797 0.000) 13.075 5.945 ( -1.776 4.074 0.000) 4.444 5.945 ( 1.776 4.074 0.000) 4.444 6.004 ( -1.569 0.936 0.000) 1.828 6.004 ( 1.569 0.936 0.000) 1.828 6.253 ( -0.179 6.557 0.000) 6.559 6.253 ( 0.179 6.557 0.000) 6.559 6.502 ( -2.979 -2.313 0.000) 3.772 6.502 ( 2.979 -2.313 0.000) 3.772 6.550 ( -1.950 4.127 0.000) 4.564 6.550 ( 1.950 4.127 0.000) 4.564 6.622 ( -0.474 0.761 0.000) 0.896 6.622 ( 0.474 0.761 0.000) 0.896 6.663 ( -0.351 2.284 0.000) 2.311 6.663 ( 0.351 2.284 0.000) 2.311 6.724 ( -2.682 -0.246 0.000) 2.694 6.724 ( 2.682 -0.246 0.000) 2.694 6.809 ( -3.224 0.703 0.000) 3.300 6.809 ( 3.224 0.703 0.000) 3.300 6.932 ( -0.823 -1.732 0.000) 1.917 6.932 ( 0.823 -1.732 0.000) 1.917 6.947 ( -4.390 -4.559 0.000) 6.329 6.947 ( 4.390 -4.559 0.000) 6.329 7.035 ( -6.657 -5.356 0.000) 8.544 7.035 ( 6.657 -5.356 0.000) 8.544 7.147 ( -2.628 5.524 0.000) 6.117 7.147 ( 2.628 5.524 0.000) 6.117 7.464 ( -3.828 -4.371 0.000) 5.810 7.464 ( 3.828 -4.371 0.000) 5.810 7.884 ( -3.313 5.450 0.000) 6.378 7.884 ( 3.313 5.450 0.000) 6.378 8.043 ( -0.642 2.238 0.000) 2.328 8.043 ( 0.642 2.238 0.000) 2.328 8.812 ( -2.268 -0.088 0.000) 2.269 8.812 ( 2.268 -0.088 0.000) 2.269 8.886 ( -2.973 -2.093 0.000) 3.636 8.886 ( 2.973 -2.093 0.000) 3.636 9.144 ( -7.225 10.403 0.000) 12.666 9.144 ( 7.225 10.403 0.000) 12.666 9.467 ( -7.614 -1.714 0.000) 7.805 9.467 ( 7.614 -1.714 0.000) 7.805 9.920 ( -1.595 2.592 0.000) 3.044 9.920 ( 1.595 2.592 0.000) 3.044 10.185 ( -1.756 -4.821 0.000) 5.131 10.185 ( 1.756 -4.821 0.000) 5.131 10.501 ( -1.450 5.082 0.000) 5.284 10.501 ( 1.450 5.082 0.000) 5.284 10.876 ( -5.172 -5.731 0.000) 7.720 10.876 ( 5.172 -5.731 0.000) 7.720 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 17.062 0.000) 17.062 1.146 ( 0.000 15.106 0.000) 15.106 1.371 ( 0.000 -9.144 0.000) 9.144 1.421 ( 0.000 -12.926 0.000) 12.926 1.465 ( 0.000 3.177 0.000) 3.177 1.542 ( 0.000 -4.826 0.000) 4.826 1.632 ( 0.000 2.886 0.000) 2.886 1.636 ( 0.000 3.915 0.000) 3.915 1.837 ( 0.000 2.924 0.000) 2.924 1.930 ( 0.000 -5.593 0.000) 5.593 1.964 ( 0.000 7.253 0.000) 7.253 2.085 ( 0.000 -5.718 0.000) 5.718 2.164 ( 0.000 1.323 0.000) 1.323 2.171 ( 0.000 0.691 0.000) 0.691 2.197 ( 0.000 10.654 0.000) 10.654 2.323 ( 0.000 31.872 0.000) 31.872 2.360 ( 0.000 -7.094 0.000) 7.094 2.399 ( 0.000 3.236 0.000) 3.236 2.444 ( 0.000 -1.585 0.000) 1.585 2.558 ( 0.000 1.409 0.000) 1.409 2.587 ( 0.000 2.574 0.000) 2.574 2.911 ( 0.000 -26.559 0.000) 26.559 3.103 ( 0.000 9.526 0.000) 9.526 3.232 ( 0.000 10.736 0.000) 10.736 3.277 ( 0.000 -9.178 0.000) 9.178 3.307 ( 0.000 14.339 0.000) 14.339 3.316 ( 0.000 3.689 0.000) 3.689 3.604 ( 0.000 -16.831 0.000) 16.831 3.707 ( 0.000 10.613 0.000) 10.613 3.901 ( 0.000 -10.097 0.000) 10.097 4.001 ( 0.000 -4.006 0.000) 4.006 4.069 ( 0.000 -9.754 0.000) 9.754 4.375 ( 0.000 2.977 0.000) 2.977 4.464 ( 0.000 -6.488 0.000) 6.488 4.554 ( 0.000 12.851 0.000) 12.851 4.802 ( 0.000 -13.305 0.000) 13.305 5.960 ( 0.000 1.782 0.000) 1.782 5.970 ( 0.000 0.741 0.000) 0.741 6.037 ( 0.000 1.980 0.000) 1.980 6.060 ( 0.000 -0.730 0.000) 0.730 6.341 ( 0.000 1.781 0.000) 1.781 6.368 ( 0.000 -1.257 0.000) 1.257 6.445 ( 0.000 8.552 0.000) 8.552 6.543 ( 0.000 -1.254 0.000) 1.254 6.553 ( 0.000 0.284 0.000) 0.284 6.601 ( 0.000 -3.690 0.000) 3.690 6.639 ( 0.000 3.856 0.000) 3.856 6.651 ( 0.000 -0.165 0.000) 0.165 6.657 ( 0.000 -2.125 0.000) 2.125 6.698 ( 0.000 -0.915 0.000) 0.915 6.751 ( 0.000 0.899 0.000) 0.899 6.785 ( 0.000 1.694 0.000) 1.694 6.793 ( 0.000 -0.393 0.000) 0.393 6.796 ( 0.000 -3.053 0.000) 3.053 6.799 ( 0.000 6.014 0.000) 6.014 6.800 ( 0.000 1.136 0.000) 1.136 6.867 ( 0.000 -3.842 0.000) 3.842 6.934 ( 0.000 -7.792 0.000) 7.792 7.095 ( 0.000 3.561 0.000) 3.561 7.099 ( 0.000 4.568 0.000) 4.568 7.183 ( 0.000 -2.216 0.000) 2.216 7.221 ( 0.000 -4.746 0.000) 4.746 7.314 ( 0.000 6.478 0.000) 6.478 7.433 ( 0.000 -6.161 0.000) 6.161 7.900 ( 0.000 6.880 0.000) 6.880 7.991 ( 0.000 -2.757 0.000) 2.757 8.074 ( 0.000 3.341 0.000) 3.341 8.091 ( 0.000 2.629 0.000) 2.629 8.798 ( 0.000 -0.320 0.000) 0.320 8.801 ( 0.000 3.912 0.000) 3.912 8.810 ( 0.000 -1.671 0.000) 1.671 8.897 ( 0.000 -5.497 0.000) 5.497 9.148 ( 0.000 4.173 0.000) 4.173 9.218 ( 0.000 -3.061 0.000) 3.061 9.585 ( 0.000 3.782 0.000) 3.782 9.656 ( 0.000 -3.864 0.000) 3.864 9.993 ( 0.000 2.195 0.000) 2.195 10.013 ( 0.000 2.181 0.000) 2.181 10.025 ( 0.000 0.821 0.000) 0.821 10.045 ( 0.000 -3.290 0.000) 3.290 10.534 ( 0.000 3.665 0.000) 3.665 10.619 ( 0.000 -5.188 0.000) 5.188 10.688 ( 0.000 8.796 0.000) 8.796 10.847 ( 0.000 -8.029 0.000) 8.029 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 1.934 14.994 0.000) 15.118 1.214 ( 6.311 13.339 0.000) 14.756 1.371 ( -2.634 -5.675 0.000) 6.257 1.411 ( 3.532 -7.627 0.000) 8.405 1.459 ( -11.603 5.912 0.000) 13.022 1.483 ( -0.528 -1.486 0.000) 1.577 1.542 ( -0.493 -4.834 0.000) 4.859 1.551 ( -7.351 -3.165 0.000) 8.003 1.904 ( 3.724 2.164 0.000) 4.307 1.949 ( -0.028 -2.645 0.000) 2.646 1.952 ( -1.437 5.344 0.000) 5.533 2.038 ( -3.968 -2.896 0.000) 4.912 2.196 ( 3.534 4.304 0.000) 5.569 2.225 ( 2.031 7.786 0.000) 8.046 2.255 ( 7.283 -1.114 0.000) 7.368 2.351 ( 3.409 3.127 0.000) 4.625 2.406 ( 1.049 2.611 0.000) 2.814 2.415 ( 4.234 14.960 0.000) 15.547 2.444 ( -0.164 -1.628 0.000) 1.636 2.536 ( -1.986 2.212 0.000) 2.973 2.562 ( -1.491 6.314 0.000) 6.488 2.918 ( 1.380 -17.880 0.000) 17.933 2.979 ( -15.310 13.729 0.000) 20.564 3.063 ( -4.254 3.195 0.000) 5.321 3.324 ( 1.935 4.956 0.000) 5.321 3.377 ( 4.999 7.516 0.000) 9.026 3.469 ( 8.136 -9.380 0.000) 12.417 3.518 ( -3.973 -3.888 0.000) 5.559 3.818 ( 7.353 -3.538 0.000) 8.160 3.884 ( -1.528 -7.938 0.000) 8.083 3.938 ( -5.585 -0.625 0.000) 5.620 4.039 ( -2.929 -8.893 0.000) 9.363 4.421 ( 3.140 2.258 0.000) 3.868 4.512 ( 5.582 -6.729 0.000) 8.743 4.533 ( -2.156 11.362 0.000) 11.565 4.760 ( -4.375 -12.422 0.000) 13.170 5.972 ( 1.220 1.977 0.000) 2.323 5.987 ( 1.444 0.306 0.000) 1.476 6.027 ( -1.021 1.791 0.000) 2.062 6.043 ( -1.478 -0.214 0.000) 1.494 6.344 ( 0.613 3.330 0.000) 3.386 6.397 ( 2.416 -2.522 0.000) 3.493 6.411 ( -2.660 6.845 0.000) 7.343 6.500 ( -2.781 -2.786 0.000) 3.936 6.589 ( 2.469 2.684 0.000) 3.647 6.629 ( 1.543 -1.286 0.000) 2.009 6.640 ( -0.010 3.171 0.000) 3.171 6.643 ( 0.587 1.135 0.000) 1.278 6.690 ( -0.941 -0.925 0.000) 1.320 6.706 ( 3.876 -4.775 0.000) 6.150 6.746 ( -2.124 5.740 0.000) 6.120 6.754 ( -2.189 2.382 0.000) 3.235 6.764 ( -0.809 3.212 0.000) 3.313 6.801 ( 0.326 -3.004 0.000) 3.022 6.803 ( 1.123 -1.481 0.000) 1.858 6.864 ( 4.789 -0.746 0.000) 4.846 6.879 ( 1.561 -2.475 0.000) 2.926 6.893 ( -3.875 -8.100 0.000) 8.980 7.016 ( -4.573 3.497 0.000) 5.757 7.080 ( -5.126 -3.123 0.000) 6.002 7.195 ( 3.545 5.401 0.000) 6.460 7.294 ( 4.539 -5.079 0.000) 6.812 7.300 ( -1.450 6.427 0.000) 6.589 7.417 ( -1.633 -6.027 0.000) 6.244 7.930 ( 2.830 6.173 0.000) 6.790 8.012 ( 2.050 -2.357 0.000) 3.124 8.045 ( -2.421 4.608 0.000) 5.205 8.088 ( -0.811 0.556 0.000) 0.984 8.806 ( 0.406 2.858 0.000) 2.886 8.809 ( 0.850 -0.808 0.000) 1.172 8.812 ( 0.456 -1.149 0.000) 1.236 8.878 ( -1.754 -4.355 0.000) 4.695 9.185 ( 4.164 5.793 0.000) 7.135 9.277 ( 5.686 -3.962 0.000) 6.931 9.488 ( -8.910 5.386 0.000) 10.412 9.570 ( -7.587 -3.462 0.000) 8.339 9.986 ( -0.230 5.384 0.000) 5.389 9.991 ( -0.159 3.057 0.000) 3.062 10.060 ( 1.308 -4.177 0.000) 4.377 10.081 ( 1.846 -4.671 0.000) 5.023 10.560 ( 2.673 5.303 0.000) 5.938 10.668 ( 4.366 -5.923 0.000) 7.358 10.670 ( -1.868 8.424 0.000) 8.629 10.824 ( -2.479 -7.799 0.000) 8.183 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -7.964 9.819 0.000) 12.643 1.244 ( 7.964 9.819 0.000) 12.643 1.337 ( -2.538 6.695 0.000) 7.160 1.337 ( 2.538 6.695 0.000) 7.160 1.445 ( -1.042 -5.391 0.000) 5.491 1.445 ( 1.042 -5.391 0.000) 5.491 1.509 ( -2.746 -6.062 0.000) 6.655 1.509 ( 2.746 -6.062 0.000) 6.655 1.935 ( -0.170 1.476 0.000) 1.486 1.935 ( 0.170 1.476 0.000) 1.486 1.965 ( -3.181 -1.161 0.000) 3.386 1.965 ( 3.181 -1.161 0.000) 3.386 2.247 ( -0.561 7.300 0.000) 7.322 2.247 ( 0.561 7.300 0.000) 7.322 2.371 ( -3.058 -4.146 0.000) 5.152 2.371 ( 3.058 -4.146 0.000) 5.152 2.438 ( -0.391 1.845 0.000) 1.886 2.438 ( 0.391 1.845 0.000) 1.886 2.464 ( -4.673 0.129 0.000) 4.675 2.464 ( 4.673 0.129 0.000) 4.675 2.691 ( -13.814 22.196 0.000) 26.143 2.691 ( 13.814 22.196 0.000) 26.143 2.975 ( -4.421 -6.583 0.000) 7.930 2.975 ( 4.421 -6.583 0.000) 7.930 3.374 ( -3.165 7.448 0.000) 8.093 3.374 ( 3.165 7.448 0.000) 8.093 3.538 ( -1.674 -11.632 0.000) 11.751 3.538 ( 1.674 -11.632 0.000) 11.751 3.859 ( -1.061 0.266 0.000) 1.094 3.859 ( 1.061 0.266 0.000) 1.094 3.954 ( -5.960 -8.558 0.000) 10.428 3.954 ( 5.960 -8.558 0.000) 10.428 4.480 ( -3.188 7.070 0.000) 7.756 4.480 ( 3.188 7.070 0.000) 7.756 4.645 ( -7.284 -9.895 0.000) 12.287 4.645 ( 7.284 -9.895 0.000) 12.287 6.001 ( -1.639 1.806 0.000) 2.439 6.001 ( 1.639 1.806 0.000) 2.439 6.015 ( -1.411 0.090 0.000) 1.414 6.015 ( 1.411 0.090 0.000) 1.414 6.367 ( -1.822 5.343 0.000) 5.645 6.367 ( 1.822 5.343 0.000) 5.645 6.447 ( -2.735 -3.471 0.000) 4.419 6.447 ( 2.735 -3.471 0.000) 4.419 6.634 ( -1.024 2.391 0.000) 2.601 6.634 ( 1.024 2.391 0.000) 2.601 6.653 ( -2.697 3.316 0.000) 4.274 6.653 ( 2.697 3.316 0.000) 4.274 6.677 ( -2.499 1.024 0.000) 2.701 6.677 ( 2.499 1.024 0.000) 2.701 6.753 ( -0.304 3.229 0.000) 3.243 6.753 ( 0.304 3.229 0.000) 3.243 6.786 ( -3.349 -4.717 0.000) 5.784 6.786 ( 3.349 -4.717 0.000) 5.784 6.824 ( -1.696 -5.570 0.000) 5.823 6.824 ( 1.696 -5.570 0.000) 5.823 6.932 ( -3.983 1.341 0.000) 4.203 6.932 ( 3.983 1.341 0.000) 4.203 6.970 ( -5.966 -2.521 0.000) 6.477 6.970 ( 5.966 -2.521 0.000) 6.477 7.259 ( -2.896 6.213 0.000) 6.855 7.259 ( 2.896 6.213 0.000) 6.855 7.370 ( -3.309 -5.642 0.000) 6.541 7.370 ( 3.309 -5.642 0.000) 6.541 7.990 ( -3.205 5.335 0.000) 6.224 7.990 ( 3.205 5.335 0.000) 6.224 8.057 ( -2.299 -1.373 0.000) 2.678 8.057 ( 2.299 -1.373 0.000) 2.678 8.811 ( -0.122 0.626 0.000) 0.638 8.811 ( 0.122 0.626 0.000) 0.638 8.841 ( -1.928 -2.363 0.000) 3.050 8.841 ( 1.928 -2.363 0.000) 3.050 9.309 ( -8.701 7.176 0.000) 11.278 9.309 ( 8.701 7.176 0.000) 11.278 9.413 ( -8.250 -4.158 0.000) 9.239 9.413 ( 8.250 -4.158 0.000) 9.239 9.988 ( -0.179 4.638 0.000) 4.642 9.988 ( 0.179 4.638 0.000) 4.642 10.085 ( -0.990 -5.566 0.000) 5.653 10.085 ( 0.990 -5.566 0.000) 5.653 10.621 ( -3.218 7.283 0.000) 7.962 10.621 ( 3.218 7.283 0.000) 7.962 10.756 ( -4.457 -7.070 0.000) 8.358 10.756 ( 4.457 -7.070 0.000) 8.358 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.000 0.000 21.770) 21.770 0.493 ( 0.000 0.000 23.482) 23.482 0.953 ( 0.000 0.000 46.232) 46.232 1.062 ( 0.000 0.000 -0.364) 0.364 1.355 ( 0.000 0.000 -1.335) 1.335 1.425 ( 0.000 0.000 -1.759) 1.759 1.515 ( 0.000 0.000 5.206) 5.206 1.561 ( 0.000 0.000 -5.326) 5.326 1.567 ( 0.000 0.000 -1.865) 1.865 1.708 ( 0.000 0.000 -3.673) 3.673 1.798 ( 0.000 0.000 -0.010) 0.010 1.919 ( 0.000 0.000 -4.902) 4.902 2.071 ( 0.000 0.000 -2.520) 2.520 2.130 ( 0.000 0.000 -1.877) 1.877 2.224 ( 0.000 0.000 -0.260) 0.260 2.241 ( 0.000 0.000 1.246) 1.246 2.293 ( 0.000 0.000 5.697) 5.697 2.308 ( 0.000 0.000 1.803) 1.803 2.403 ( 0.000 0.000 2.036) 2.036 2.516 ( 0.000 0.000 3.045) 3.045 2.553 ( 0.000 0.000 1.528) 1.528 2.797 ( 0.000 0.000 -1.412) 1.412 2.835 ( 0.000 0.000 1.843) 1.843 2.969 ( 0.000 0.000 1.154) 1.154 3.156 ( 0.000 0.000 7.875) 7.875 3.234 ( 0.000 0.000 5.937) 5.937 3.584 ( 0.000 0.000 -1.422) 1.422 3.652 ( 0.000 0.000 -3.542) 3.542 3.945 ( 0.000 0.000 -16.540) 16.540 3.967 ( 0.000 0.000 -15.099) 15.099 4.233 ( 0.000 0.000 -1.090) 1.090 4.268 ( 0.000 0.000 -4.232) 4.232 4.549 ( 0.000 0.000 10.045) 10.045 4.668 ( 0.000 0.000 3.667) 3.667 4.912 ( 0.000 0.000 2.433) 2.433 5.159 ( 0.000 0.000 -8.097) 8.097 5.799 ( 0.000 0.000 -1.473) 1.473 5.847 ( 0.000 0.000 -1.515) 1.515 5.893 ( 0.000 0.000 2.009) 2.009 5.936 ( 0.000 0.000 3.141) 3.141 6.100 ( 0.000 0.000 -0.158) 0.158 6.156 ( 0.000 0.000 2.473) 2.473 6.218 ( 0.000 0.000 1.647) 1.647 6.344 ( 0.000 0.000 -3.357) 3.357 6.476 ( 0.000 0.000 -5.227) 5.227 6.505 ( 0.000 0.000 -5.627) 5.627 6.506 ( 0.000 0.000 -5.911) 5.911 6.543 ( 0.000 0.000 -2.221) 2.221 6.594 ( 0.000 0.000 -4.317) 4.317 6.615 ( 0.000 0.000 -2.795) 2.795 6.710 ( 0.000 0.000 3.739) 3.739 6.737 ( 0.000 0.000 1.510) 1.510 6.775 ( 0.000 0.000 -6.347) 6.347 6.777 ( 0.000 0.000 -2.024) 2.024 6.872 ( 0.000 0.000 1.425) 1.425 6.920 ( 0.000 0.000 -0.850) 0.850 6.977 ( 0.000 0.000 6.875) 6.875 6.992 ( 0.000 0.000 -5.328) 5.328 7.083 ( 0.000 0.000 6.759) 6.759 7.130 ( 0.000 0.000 5.922) 5.922 7.335 ( 0.000 0.000 -3.087) 3.087 7.370 ( 0.000 0.000 3.199) 3.199 7.422 ( 0.000 0.000 6.626) 6.626 7.626 ( 0.000 0.000 1.744) 1.744 7.670 ( 0.000 0.000 2.580) 2.580 7.925 ( 0.000 0.000 -2.704) 2.704 7.937 ( 0.000 0.000 -1.927) 1.927 8.008 ( 0.000 0.000 -0.529) 0.529 8.405 ( 0.000 0.000 1.408) 1.408 8.764 ( 0.000 0.000 0.438) 0.438 8.785 ( 0.000 0.000 -1.824) 1.824 8.858 ( 0.000 0.000 0.678) 0.678 8.932 ( 0.000 0.000 -0.727) 0.727 9.080 ( 0.000 0.000 -5.908) 5.908 9.543 ( 0.000 0.000 7.830) 7.830 9.760 ( 0.000 0.000 -2.894) 2.894 9.823 ( 0.000 0.000 -1.260) 1.260 9.874 ( 0.000 0.000 1.338) 1.338 9.931 ( 0.000 0.000 -2.980) 2.980 10.194 ( 0.000 0.000 -2.137) 2.137 10.478 ( 0.000 0.000 0.720) 0.720 10.738 ( 0.000 0.000 -5.679) 5.679 11.068 ( 0.000 0.000 1.801) 1.801 11.104 ( 0.000 0.000 0.480) 0.480 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 12.516 0.000 14.574) 19.211 0.645 ( 14.293 0.000 16.212) 21.613 1.040 ( -4.760 0.000 1.163) 4.900 1.204 ( 7.824 0.000 23.226) 24.508 1.275 ( 3.739 0.000 13.241) 13.759 1.332 ( 0.103 0.000 0.524) 0.535 1.464 ( -3.411 0.000 2.952) 4.511 1.602 ( 2.533 0.000 -5.416) 5.979 1.688 ( -1.744 0.000 -4.414) 4.746 1.699 ( 8.563 0.000 -4.948) 9.889 1.888 ( 8.102 0.000 0.698) 8.132 1.895 ( -2.927 0.000 -2.920) 4.134 2.069 ( 1.062 0.000 -1.823) 2.110 2.170 ( 3.168 0.000 -0.846) 3.279 2.194 ( -4.682 0.000 1.023) 4.792 2.226 ( -4.731 0.000 5.105) 6.960 2.236 ( 0.945 0.000 0.009) 0.945 2.295 ( -1.385 0.000 1.079) 1.756 2.373 ( -7.480 0.000 0.793) 7.521 2.419 ( -16.734 0.000 6.426) 17.925 2.548 ( -1.434 0.000 0.321) 1.470 2.596 ( -2.204 0.000 3.344) 4.005 2.854 ( 2.242 0.000 2.778) 3.570 3.062 ( 4.225 0.000 0.642) 4.274 3.094 ( -10.257 0.000 5.394) 11.589 3.141 ( -0.309 0.000 3.976) 3.988 3.692 ( 5.438 0.000 -9.838) 11.241 3.814 ( 12.658 0.000 -3.030) 13.016 3.881 ( -7.257 0.000 -13.917) 15.695 3.986 ( 8.023 0.000 -7.551) 11.018 4.210 ( -6.044 0.000 -4.023) 7.260 4.310 ( 1.341 0.000 -6.971) 7.099 4.597 ( 2.873 0.000 11.409) 11.765 4.723 ( 5.972 0.000 2.953) 6.662 4.853 ( -2.979 0.000 3.994) 4.983 5.108 ( -5.561 0.000 -7.461) 9.305 5.803 ( 0.564 0.000 -0.976) 1.128 5.840 ( -0.701 0.000 -1.018) 1.236 5.928 ( 2.614 0.000 0.804) 2.735 5.944 ( 1.027 0.000 2.551) 2.750 6.092 ( -0.319 0.000 0.568) 0.652 6.188 ( -3.047 0.000 1.553) 3.420 6.325 ( 6.318 0.000 -9.169) 11.135 6.360 ( 1.831 0.000 -5.512) 5.808 6.501 ( 1.681 0.000 -5.472) 5.724 6.509 ( 0.352 0.000 -5.344) 5.356 6.512 ( 1.481 0.000 -5.326) 5.528 6.534 ( -0.767 0.000 -3.089) 3.183 6.567 ( -1.020 0.000 -2.944) 3.115 6.632 ( 1.757 0.000 -2.311) 2.903 6.689 ( -3.362 0.000 -1.023) 3.514 6.739 ( -3.062 0.000 -4.291) 5.272 6.748 ( 3.370 0.000 2.353) 4.110 6.817 ( 1.950 0.000 -1.765) 2.630 6.894 ( 1.613 0.000 -0.486) 1.685 6.923 ( 0.111 0.000 -1.113) 1.119 6.958 ( -0.332 0.000 4.689) 4.701 7.014 ( 0.407 0.000 -2.636) 2.668 7.088 ( 0.591 0.000 6.713) 6.739 7.122 ( -0.763 0.000 6.054) 6.102 7.273 ( -1.807 0.000 1.625) 2.430 7.365 ( -2.964 0.000 -0.595) 3.023 7.509 ( 6.253 0.000 5.468) 8.307 7.656 ( -1.584 0.000 3.080) 3.464 7.660 ( 3.528 0.000 1.382) 3.789 7.872 ( -5.847 0.000 -0.989) 5.930 7.997 ( 4.062 0.000 -5.613) 6.928 8.016 ( 0.824 0.000 -1.017) 1.309 8.466 ( 5.424 0.000 0.718) 5.472 8.685 ( -5.137 0.000 -0.381) 5.151 8.844 ( 3.113 0.000 -0.882) 3.235 8.883 ( 2.743 0.000 -0.066) 2.744 8.923 ( -1.008 0.000 -0.747) 1.255 9.039 ( -3.830 0.000 -4.245) 5.717 9.523 ( 0.100 0.000 8.843) 8.843 9.663 ( -5.476 0.000 3.726) 6.623 9.861 ( 1.084 0.000 0.989) 1.467 9.893 ( -0.211 0.000 -3.618) 3.624 10.009 ( 6.966 0.000 -7.193) 10.013 10.182 ( -1.556 0.000 -4.383) 4.651 10.482 ( 1.003 0.000 1.848) 2.103 10.668 ( -7.582 0.000 -0.338) 7.590 10.984 ( -1.170 0.000 5.868) 5.983 11.084 ( -2.311 0.000 0.703) 2.416 ======================= Grid point 37 (15/60) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -13.237 0.000 6.436) 14.719 0.855 ( 13.237 0.000 6.436) 14.719 0.952 ( -16.515 0.000 7.973) 18.339 0.952 ( 16.515 0.000 7.973) 18.339 1.389 ( -4.422 0.000 1.535) 4.681 1.389 ( 4.422 0.000 1.535) 4.681 1.648 ( -2.338 0.000 -5.274) 5.769 1.648 ( 2.338 0.000 -5.274) 5.769 1.718 ( -17.247 0.000 10.858) 20.380 1.718 ( 17.247 0.000 10.858) 20.380 1.928 ( -17.207 0.000 2.263) 17.355 1.928 ( 17.207 0.000 2.263) 17.355 2.060 ( -8.989 0.000 0.572) 9.007 2.060 ( 8.989 0.000 0.572) 9.007 2.130 ( -4.459 0.000 2.472) 5.098 2.130 ( 4.459 0.000 2.472) 5.098 2.263 ( -1.733 0.000 0.444) 1.789 2.263 ( 1.733 0.000 0.444) 1.789 2.284 ( -5.991 0.000 0.665) 6.028 2.284 ( 5.991 0.000 0.665) 6.028 2.568 ( -1.816 0.000 0.016) 1.816 2.568 ( 1.816 0.000 0.016) 1.816 2.932 ( -6.286 0.000 4.623) 7.803 2.932 ( 6.286 0.000 4.623) 7.803 3.124 ( -2.232 0.000 3.100) 3.820 3.124 ( 2.232 0.000 3.100) 3.820 3.762 ( -4.342 0.000 -15.224) 15.831 3.762 ( 4.342 0.000 -15.224) 15.831 4.046 ( -10.957 0.000 -3.491) 11.499 4.046 ( 10.957 0.000 -3.491) 11.499 4.201 ( -11.125 0.000 -3.669) 11.715 4.201 ( 11.125 0.000 -3.669) 11.715 4.690 ( -6.263 0.000 9.522) 11.397 4.690 ( 6.263 0.000 9.522) 11.397 4.958 ( -9.579 0.000 -4.963) 10.789 4.958 ( 9.579 0.000 -4.963) 10.789 5.821 ( -1.153 0.000 -0.682) 1.340 5.821 ( 1.153 0.000 -0.682) 1.340 5.958 ( -0.556 0.000 0.783) 0.960 5.958 ( 0.556 0.000 0.783) 0.960 6.119 ( -3.367 0.000 1.560) 3.711 6.119 ( 3.367 0.000 1.560) 3.711 6.371 ( -1.070 0.000 -6.537) 6.624 6.371 ( 1.070 0.000 -6.537) 6.624 6.514 ( -0.707 0.000 -4.761) 4.813 6.514 ( 0.707 0.000 -4.761) 4.813 6.519 ( -0.722 0.000 -4.200) 4.261 6.519 ( 0.722 0.000 -4.200) 4.261 6.619 ( -4.108 0.000 -3.535) 5.420 6.619 ( 4.108 0.000 -3.535) 5.420 6.679 ( -3.043 0.000 -2.722) 4.082 6.679 ( 3.043 0.000 -2.722) 4.082 6.811 ( -2.506 0.000 0.088) 2.507 6.811 ( 2.506 0.000 0.088) 2.507 6.918 ( -0.762 0.000 -1.364) 1.563 6.918 ( 0.762 0.000 -1.364) 1.563 6.986 ( -2.678 0.000 1.005) 2.860 6.986 ( 2.678 0.000 1.005) 2.860 7.104 ( -1.013 0.000 6.424) 6.503 7.104 ( 1.013 0.000 6.424) 6.503 7.295 ( -3.496 0.000 0.571) 3.543 7.295 ( 3.496 0.000 0.571) 3.543 7.606 ( -3.831 0.000 4.253) 5.724 7.606 ( 3.831 0.000 4.253) 5.724 7.753 ( -6.004 0.000 0.389) 6.016 7.753 ( 6.004 0.000 0.389) 6.016 8.029 ( -0.345 0.000 -2.759) 2.780 8.029 ( 0.345 0.000 -2.759) 2.780 8.579 ( -6.017 0.000 -0.046) 6.017 8.579 ( 6.017 0.000 -0.046) 6.017 8.894 ( -2.068 0.000 -0.798) 2.217 8.894 ( 2.068 0.000 -0.798) 2.217 8.956 ( -4.516 0.000 -1.926) 4.909 8.956 ( 4.516 0.000 -1.926) 4.909 9.569 ( -4.193 0.000 6.108) 7.409 9.569 ( 4.193 0.000 6.108) 7.409 9.880 ( -0.941 0.000 -0.607) 1.119 9.880 ( 0.941 0.000 -0.607) 1.119 10.123 ( -4.719 0.000 -7.573) 8.923 10.123 ( 4.719 0.000 -7.573) 8.923 10.536 ( -5.022 0.000 3.025) 5.862 10.536 ( 5.022 0.000 3.025) 5.862 11.025 ( -3.533 0.000 1.753) 3.944 11.025 ( 3.533 0.000 1.753) 3.944 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 0.000 12.610 17.107) 21.252 0.719 ( 0.000 17.092 16.952) 24.073 1.172 ( 0.000 23.705 29.388) 37.757 1.204 ( 0.000 13.053 -0.129) 13.054 1.412 ( 0.000 -0.917 -1.875) 2.087 1.468 ( 0.000 9.497 3.267) 10.043 1.553 ( 0.000 -0.983 -3.543) 3.677 1.562 ( 0.000 4.108 1.139) 4.263 1.593 ( 0.000 2.597 -1.939) 3.240 1.702 ( 0.000 0.550 -3.527) 3.570 1.816 ( 0.000 1.643 0.799) 1.827 1.936 ( 0.000 2.115 -3.641) 4.211 2.075 ( 0.000 0.970 -2.201) 2.405 2.095 ( 0.000 -2.255 -2.989) 3.744 2.140 ( 0.000 -5.070 3.248) 6.021 2.266 ( 0.000 2.928 0.161) 2.933 2.292 ( 0.000 -1.530 2.576) 2.996 2.409 ( 0.000 5.208 1.632) 5.458 2.421 ( 0.000 1.694 -0.181) 1.704 2.500 ( 0.000 -0.434 2.637) 2.673 2.538 ( 0.000 -1.398 1.801) 2.280 2.794 ( 0.000 0.383 -4.961) 4.976 2.874 ( 0.000 4.236 5.918) 7.278 3.013 ( 0.000 4.766 0.458) 4.788 3.216 ( 0.000 5.894 9.404) 11.099 3.335 ( 0.000 7.606 2.263) 7.935 3.482 ( 0.000 -9.724 -4.842) 10.863 3.640 ( 0.000 -2.481 0.631) 2.561 3.917 ( 0.000 -5.538 -14.260) 15.297 3.960 ( 0.000 2.095 -16.849) 16.979 4.160 ( 0.000 -7.276 -1.202) 7.375 4.236 ( 0.000 -3.584 -3.748) 5.185 4.532 ( 0.000 -1.743 9.908) 10.061 4.588 ( 0.000 -5.337 6.332) 8.281 4.816 ( 0.000 -7.604 5.413) 9.334 5.108 ( 0.000 -5.412 -7.667) 9.384 5.837 ( 0.000 3.537 -1.168) 3.725 5.872 ( 0.000 2.420 -1.248) 2.723 5.931 ( 0.000 2.916 2.803) 4.045 6.119 ( 0.000 -1.130 1.267) 1.697 6.170 ( 0.000 5.175 1.471) 5.380 6.232 ( 0.000 12.608 -13.749) 18.655 6.254 ( 0.000 2.816 1.334) 3.116 6.385 ( 0.000 6.791 -6.548) 9.433 6.480 ( 0.000 0.699 -4.556) 4.609 6.502 ( 0.000 0.050 -5.576) 5.577 6.520 ( 0.000 1.296 -6.071) 6.207 6.570 ( 0.000 2.630 -2.507) 3.634 6.593 ( 0.000 0.162 -4.506) 4.509 6.630 ( 0.000 1.287 -2.503) 2.815 6.680 ( 0.000 -2.844 2.800) 3.991 6.723 ( 0.000 -1.106 0.378) 1.168 6.771 ( 0.000 -0.297 -1.223) 1.258 6.783 ( 0.000 0.482 -5.052) 5.075 6.892 ( 0.000 1.689 1.086) 2.008 6.941 ( 0.000 -0.206 -3.104) 3.111 6.959 ( 0.000 -0.407 -0.495) 0.641 6.970 ( 0.000 -0.743 6.475) 6.517 7.079 ( 0.000 -0.133 6.569) 6.570 7.143 ( 0.000 1.642 4.720) 4.997 7.321 ( 0.000 -1.534 -2.707) 3.112 7.322 ( 0.000 -8.548 7.194) 11.172 7.350 ( 0.000 -2.457 2.469) 3.483 7.631 ( 0.000 -3.978 1.255) 4.171 7.708 ( 0.000 4.261 1.687) 4.583 7.817 ( 0.000 3.208 6.717) 7.444 7.949 ( 0.000 0.973 -1.381) 1.689 8.013 ( 0.000 1.008 0.193) 1.026 8.703 ( 0.000 6.769 -7.009) 9.743 8.816 ( 0.000 1.958 -3.524) 4.032 8.847 ( 0.000 -0.473 0.024) 0.474 8.888 ( 0.000 16.975 -9.470) 19.438 8.921 ( 0.000 -0.099 0.157) 0.185 9.083 ( 0.000 0.117 -4.262) 4.263 9.549 ( 0.000 0.656 6.846) 6.878 9.736 ( 0.000 -2.355 -2.944) 3.770 9.850 ( 0.000 2.699 -1.928) 3.317 9.878 ( 0.000 0.411 0.042) 0.413 9.929 ( 0.000 0.036 -2.892) 2.892 10.211 ( 0.000 1.205 -1.829) 2.190 10.481 ( 0.000 0.400 0.762) 0.860 10.667 ( 0.000 -7.152 -0.066) 7.152 10.874 ( 0.000 -10.751 9.995) 14.680 11.071 ( 0.000 -3.483 0.322) 3.497 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.25 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 9.164 10.390 13.561) 19.386 0.826 ( 10.057 13.833 13.882) 22.028 1.168 ( -6.806 11.132 2.366) 13.261 1.272 ( -10.647 3.296 1.793) 11.288 1.345 ( 8.573 11.291 8.569) 16.565 1.478 ( 6.204 10.817 12.219) 17.459 1.545 ( 2.872 9.952 4.377) 11.245 1.591 ( 2.534 -0.494 -3.321) 4.207 1.653 ( 0.962 -2.397 -4.286) 5.004 1.724 ( 4.944 2.009 -4.380) 6.904 1.863 ( 3.274 -0.244 -0.143) 3.286 1.927 ( -0.835 1.380 -2.330) 2.834 2.078 ( -2.211 -3.472 0.796) 4.192 2.111 ( 0.922 -0.775 -0.942) 1.529 2.148 ( 4.599 1.052 -0.304) 4.727 2.265 ( -2.917 -2.251 1.856) 4.126 2.282 ( 1.430 3.389 0.234) 3.686 2.328 ( -5.463 4.719 1.961) 7.481 2.415 ( -2.968 3.334 -1.078) 4.592 2.462 ( -9.944 3.996 5.344) 11.975 2.541 ( -2.268 -0.558 0.611) 2.414 2.593 ( -9.574 1.759 5.635) 11.248 2.848 ( 2.970 0.010 0.021) 2.970 3.078 ( -2.406 1.975 2.850) 4.220 3.182 ( -1.958 5.283 4.483) 7.200 3.185 ( -4.198 5.375 2.273) 7.189 3.666 ( 9.429 -3.199 -6.723) 12.014 3.762 ( 8.580 -4.495 -5.695) 11.237 3.852 ( -4.550 -3.475 -11.742) 13.063 3.976 ( 4.255 -0.893 -8.692) 9.719 4.160 ( -4.230 -5.664 -4.049) 8.147 4.237 ( 1.017 -5.718 -3.917) 7.005 4.554 ( 2.466 -3.698 11.841) 12.648 4.676 ( 5.674 -4.586 3.838) 8.243 4.786 ( -0.821 -6.193 3.252) 7.043 5.054 ( -5.545 -5.407 -6.859) 10.345 5.839 ( 0.531 3.466 -0.761) 3.589 5.874 ( -0.310 3.346 -1.226) 3.577 5.955 ( 2.375 1.990 1.952) 3.662 6.030 ( -3.651 4.405 1.573) 5.934 6.149 ( -0.630 5.724 0.732) 5.805 6.212 ( -2.567 2.942 1.116) 4.061 6.360 ( 3.727 0.623 -7.559) 8.451 6.393 ( 0.604 5.917 -7.876) 9.870 6.493 ( 0.596 -0.622 -5.719) 5.784 6.518 ( 1.571 0.857 -5.370) 5.661 6.523 ( 0.434 1.140 -5.168) 5.310 6.556 ( -1.457 1.404 -3.352) 3.915 6.568 ( -0.262 1.255 -2.821) 3.099 6.650 ( 1.884 1.467 -2.340) 3.343 6.679 ( -3.294 -0.762 -0.787) 3.472 6.714 ( 1.516 -1.940 -0.425) 2.498 6.760 ( 0.412 0.598 -1.148) 1.358 6.820 ( 1.370 0.231 -2.496) 2.856 6.905 ( 1.187 0.748 0.012) 1.403 6.933 ( -0.237 0.234 -0.614) 0.698 6.963 ( 0.400 1.007 2.243) 2.491 6.991 ( 1.231 -2.003 0.458) 2.395 7.088 ( 0.944 0.339 6.283) 6.363 7.134 ( -0.935 1.545 4.943) 5.263 7.228 ( -3.223 -4.069 3.275) 6.138 7.301 ( -3.531 -6.375 0.930) 7.347 7.462 ( 6.616 -3.613 3.149) 8.170 7.616 ( -1.655 -3.884 1.811) 4.594 7.745 ( 2.950 5.287 -0.072) 6.055 7.833 ( 0.034 1.342 3.639) 3.879 7.968 ( 2.497 0.649 -1.096) 2.803 8.019 ( 0.437 0.930 -0.077) 1.030 8.696 ( -0.610 7.862 -5.508) 9.619 8.760 ( -4.244 7.786 -4.465) 9.928 8.857 ( 1.175 -0.020 -0.531) 1.290 8.909 ( -0.260 1.184 -2.967) 3.205 8.925 ( 2.138 6.644 -0.454) 6.994 9.053 ( -3.088 1.801 -2.981) 4.655 9.517 ( -0.676 -0.687 8.303) 8.359 9.654 ( -5.462 -1.149 2.628) 6.169 9.867 ( 0.987 0.860 1.107) 1.715 9.897 ( -0.188 0.483 -3.499) 3.537 10.008 ( 6.787 -0.027 -7.291) 9.961 10.194 ( -2.136 0.665 -4.426) 4.959 10.484 ( 0.791 0.411 1.962) 2.155 10.610 ( -5.021 -4.624 2.994) 7.454 10.904 ( 3.448 -6.257 5.033) 8.739 11.048 ( -2.439 -3.648 0.488) 4.416 ======================= Grid point 42 (18/60) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -14.389 7.525 6.888) 17.638 0.942 ( 14.389 7.525 6.888) 17.638 1.051 ( -12.496 9.375 7.719) 17.425 1.051 ( 12.496 9.375 7.719) 17.425 1.443 ( -4.608 5.558 0.122) 7.221 1.443 ( 4.608 5.558 0.122) 7.221 1.627 ( -2.133 -1.872 -4.831) 5.603 1.627 ( 2.133 -1.872 -4.831) 5.603 1.798 ( -5.715 4.385 -0.679) 7.236 1.798 ( 5.715 4.385 -0.679) 7.236 1.979 ( -10.570 0.267 2.741) 10.923 1.979 ( 10.570 0.267 2.741) 10.923 2.008 ( -17.547 6.411 9.484) 20.951 2.008 ( 17.547 6.411 9.484) 20.951 2.181 ( -4.866 -0.199 0.560) 4.903 2.181 ( 4.866 -0.199 0.560) 4.903 2.266 ( -4.937 4.248 2.714) 7.056 2.266 ( 4.937 4.248 2.714) 7.056 2.337 ( -4.405 3.872 -0.771) 5.915 2.337 ( 4.405 3.872 -0.771) 5.915 2.545 ( -1.498 -2.225 0.199) 2.690 2.545 ( 1.498 -2.225 0.199) 2.690 2.942 ( -6.970 1.115 2.058) 7.353 2.942 ( 6.970 1.115 2.058) 7.353 3.178 ( -0.764 4.966 4.527) 6.763 3.178 ( 0.764 4.966 4.527) 6.763 3.753 ( -3.133 -1.153 -15.594) 15.947 3.753 ( 3.133 -1.153 -15.594) 15.947 3.972 ( -9.020 -7.049 -2.658) 11.753 3.972 ( 9.020 -7.049 -2.658) 11.753 4.170 ( -7.152 -3.283 -2.929) 8.397 4.170 ( 7.152 -3.283 -2.929) 8.397 4.638 ( -5.605 -5.122 9.534) 12.188 4.638 ( 5.605 -5.122 9.534) 12.188 4.909 ( -9.221 -4.984 -4.615) 11.453 4.909 ( 9.221 -4.984 -4.615) 11.453 5.857 ( -1.180 3.595 -0.755) 3.858 5.857 ( 1.180 3.595 -0.755) 3.858 5.994 ( -1.330 2.468 1.444) 3.154 5.994 ( 1.330 2.468 1.444) 3.154 6.160 ( -2.142 4.416 1.433) 5.114 6.160 ( 2.142 4.416 1.433) 5.114 6.392 ( -0.729 2.247 -6.609) 7.019 6.392 ( 0.729 2.247 -6.609) 7.019 6.504 ( -0.916 -0.778 -4.783) 4.932 6.504 ( 0.916 -0.778 -4.783) 4.932 6.541 ( -0.756 1.938 -4.232) 4.716 6.541 ( 0.756 1.938 -4.232) 4.716 6.612 ( -3.601 -0.179 -3.156) 4.791 6.612 ( 3.601 -0.179 -3.156) 4.791 6.694 ( -2.318 1.034 -2.062) 3.271 6.694 ( 2.318 1.034 -2.062) 3.271 6.805 ( -2.625 -0.428 -0.113) 2.662 6.805 ( 2.625 -0.428 -0.113) 2.662 6.928 ( -0.882 0.685 -1.485) 1.858 6.928 ( 0.882 0.685 -1.485) 1.858 6.985 ( -1.753 -0.229 1.190) 2.131 6.985 ( 1.753 -0.229 1.190) 2.131 7.111 ( -1.341 1.125 5.591) 5.859 7.111 ( 1.341 1.125 5.591) 5.859 7.228 ( -3.039 -5.985 2.300) 7.095 7.228 ( 3.039 -5.985 2.300) 7.095 7.564 ( -4.038 -3.898 2.746) 6.249 7.564 ( 4.038 -3.898 2.746) 6.249 7.801 ( -2.738 4.020 0.375) 4.879 7.801 ( 2.738 4.020 0.375) 4.879 8.014 ( -1.390 0.203 -0.732) 1.584 8.014 ( 1.390 0.203 -0.732) 1.584 8.700 ( -1.579 8.482 -3.172) 9.192 8.700 ( 1.579 8.482 -3.172) 9.192 8.887 ( -1.621 -0.443 -1.246) 2.092 8.887 ( 1.621 -0.443 -1.246) 2.092 8.984 ( -3.692 3.920 -0.793) 5.444 8.984 ( 3.692 3.920 -0.793) 5.444 9.557 ( -4.256 -1.355 5.431) 7.031 9.557 ( 4.256 -1.355 5.431) 7.031 9.885 ( -0.878 0.707 -0.611) 1.282 9.885 ( 0.878 0.707 -0.611) 1.282 10.124 ( -5.137 -0.201 -7.638) 9.207 10.124 ( 5.137 -0.201 -7.638) 9.207 10.524 ( -3.467 -0.684 3.410) 4.910 10.524 ( 3.467 -0.684 3.410) 4.910 10.983 ( -4.204 -4.153 1.433) 6.081 10.983 ( 4.204 -4.153 1.433) 6.081 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.000 15.643 9.292) 18.195 0.998 ( 0.000 13.798 14.025) 19.674 1.385 ( 0.000 1.560 -3.060) 3.435 1.468 ( 0.000 7.068 1.237) 7.176 1.531 ( 0.000 1.627 0.410) 1.678 1.537 ( 0.000 7.835 -0.235) 7.839 1.575 ( 0.000 -4.201 -1.641) 4.510 1.595 ( 0.000 -1.194 -1.866) 2.215 1.802 ( 0.000 13.782 -1.196) 13.834 1.817 ( 0.000 24.587 14.818) 28.707 1.837 ( 0.000 0.102 1.812) 1.815 1.980 ( 0.000 2.068 -2.141) 2.977 2.068 ( 0.000 1.221 1.799) 2.174 2.080 ( 0.000 0.987 -3.930) 4.052 2.136 ( 0.000 2.741 -0.248) 2.752 2.233 ( 0.000 -4.068 3.135) 5.136 2.329 ( 0.000 2.946 -0.557) 2.999 2.429 ( 0.000 -2.358 -2.789) 3.653 2.433 ( 0.000 -0.668 -0.833) 1.068 2.530 ( 0.000 1.605 2.179) 2.707 2.547 ( 0.000 3.858 1.443) 4.119 2.833 ( 0.000 4.387 -7.357) 8.566 3.009 ( 0.000 10.454 5.795) 11.953 3.128 ( 0.000 4.995 -2.181) 5.450 3.252 ( 0.000 -12.965 -6.314) 14.421 3.348 ( 0.000 7.684 12.369) 14.562 3.476 ( 0.000 7.349 -2.281) 7.695 3.540 ( 0.000 -8.541 6.285) 10.604 3.764 ( 0.000 -10.423 -13.436) 17.005 3.985 ( 0.000 -10.770 -0.409) 10.778 4.015 ( 0.000 3.086 -14.736) 15.056 4.152 ( 0.000 -4.825 -2.638) 5.499 4.488 ( 0.000 -2.755 9.330) 9.728 4.517 ( 0.000 -1.635 6.239) 6.449 4.655 ( 0.000 -8.939 4.927) 10.207 4.965 ( 0.000 -9.720 -6.280) 11.573 5.909 ( 0.000 3.765 -0.200) 3.770 5.924 ( 0.000 2.788 -0.983) 2.957 5.992 ( 0.000 3.197 1.173) 3.405 6.091 ( 0.000 -1.352 1.380) 1.932 6.289 ( 0.000 4.171 0.130) 4.173 6.307 ( 0.000 0.855 -6.347) 6.404 6.311 ( 0.000 5.307 1.325) 5.470 6.498 ( 0.000 2.086 -4.138) 4.634 6.517 ( 0.000 1.647 -3.695) 4.046 6.536 ( 0.000 4.729 -8.499) 9.726 6.547 ( 0.000 1.291 -6.324) 6.454 6.607 ( 0.000 1.490 -5.285) 5.491 6.619 ( 0.000 -3.463 1.252) 3.683 6.632 ( 0.000 3.807 -3.592) 5.234 6.656 ( 0.000 1.486 -2.609) 3.003 6.697 ( 0.000 -2.004 -0.463) 2.057 6.772 ( 0.000 0.309 -0.077) 0.319 6.791 ( 0.000 0.720 -2.745) 2.838 6.887 ( 0.000 -3.069 -0.404) 3.095 6.917 ( 0.000 0.755 1.664) 1.828 6.945 ( 0.000 -2.004 6.315) 6.626 7.021 ( 0.000 4.511 1.454) 4.739 7.092 ( 0.000 1.800 5.260) 5.560 7.156 ( 0.000 -8.533 5.044) 9.912 7.199 ( 0.000 4.335 1.557) 4.606 7.278 ( 0.000 -3.066 -1.786) 3.549 7.291 ( 0.000 -3.706 4.063) 5.499 7.535 ( 0.000 -6.038 -0.576) 6.065 7.796 ( 0.000 6.326 2.160) 6.684 7.968 ( 0.000 8.541 0.858) 8.584 7.977 ( 0.000 2.195 -0.729) 2.313 8.040 ( 0.000 1.272 0.560) 1.390 8.756 ( 0.000 2.067 -0.504) 2.128 8.811 ( 0.000 -1.697 -3.670) 4.044 8.824 ( 0.000 -1.471 0.562) 1.574 8.947 ( 0.000 0.820 -0.204) 0.845 9.090 ( 0.000 1.514 -0.981) 1.804 9.137 ( 0.000 7.496 -8.529) 11.355 9.566 ( 0.000 1.154 4.161) 4.318 9.684 ( 0.000 -2.919 -3.223) 4.349 9.891 ( 0.000 1.007 -3.133) 3.291 9.899 ( 0.000 1.574 -4.008) 4.306 9.950 ( 0.000 2.937 -2.006) 3.557 10.194 ( 0.000 -3.638 0.155) 3.642 10.498 ( 0.000 1.631 0.971) 1.898 10.596 ( 0.000 1.697 3.349) 3.754 10.739 ( 0.000 -5.756 3.401) 6.686 10.980 ( 0.000 -6.207 -0.016) 6.207 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.25 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 4.963 13.813 8.149) 16.788 1.070 ( 6.974 12.375 11.320) 18.164 1.328 ( -8.054 4.339 0.735) 9.179 1.368 ( -7.754 7.488 2.709) 11.114 1.502 ( 1.169 1.322 0.487) 1.831 1.551 ( -0.998 0.906 -1.753) 2.211 1.563 ( -1.464 -1.384 -2.041) 2.867 1.616 ( 0.094 -3.225 -2.027) 3.811 1.796 ( 0.858 5.551 -4.262) 7.051 1.872 ( 3.913 6.520 2.574) 8.028 1.917 ( 2.033 6.426 1.282) 6.861 1.999 ( 8.859 16.888 8.107) 20.722 2.032 ( -3.106 1.128 1.737) 3.733 2.102 ( 2.388 1.922 -1.879) 3.595 2.216 ( -1.867 -2.158 1.697) 3.320 2.227 ( 7.780 4.254 0.144) 8.868 2.343 ( 1.684 3.061 -0.398) 3.516 2.398 ( -2.970 2.487 -1.472) 4.144 2.444 ( 0.842 -1.513 -1.748) 2.460 2.503 ( -1.880 1.029 1.667) 2.715 2.534 ( -2.310 1.258 0.791) 2.746 2.755 ( -17.869 13.847 7.166) 23.715 2.878 ( 2.735 3.647 -2.535) 5.216 3.128 ( -7.879 1.112 1.539) 8.105 3.201 ( 3.361 -1.030 -1.245) 3.730 3.323 ( -3.722 7.044 2.615) 8.385 3.578 ( 9.035 -5.606 -3.940) 11.340 3.653 ( 6.663 -7.939 1.323) 10.449 3.766 ( 0.492 -4.485 -12.121) 12.933 3.954 ( -3.693 -1.503 -7.643) 8.621 4.021 ( 1.519 -8.541 -1.101) 8.744 4.144 ( -1.073 -3.647 -3.740) 5.332 4.489 ( 1.094 -2.595 9.673) 10.075 4.578 ( 1.890 -4.759 6.619) 8.369 4.653 ( 2.785 -7.524 1.156) 8.106 4.916 ( -5.041 -9.266 -5.637) 11.960 5.912 ( 0.730 3.887 -0.365) 3.972 5.943 ( 0.813 3.433 -1.269) 3.749 5.994 ( 0.705 2.092 1.448) 2.641 6.061 ( -2.298 0.080 1.619) 2.812 6.260 ( -0.960 4.341 -0.910) 4.538 6.289 ( -1.911 5.691 1.281) 6.138 6.368 ( 3.729 0.075 -4.703) 6.003 6.479 ( -1.637 1.061 -4.873) 5.249 6.508 ( -1.103 2.513 -5.432) 6.086 6.536 ( -1.464 2.162 -5.971) 6.517 6.553 ( 1.768 2.191 -3.259) 4.307 6.581 ( -0.311 2.177 -4.185) 4.728 6.624 ( -0.528 3.449 -4.666) 5.827 6.658 ( -1.343 -0.784 -3.659) 3.975 6.676 ( 2.921 -1.787 -0.720) 3.500 6.682 ( 0.701 0.828 0.833) 1.367 6.773 ( 0.663 0.996 -0.415) 1.266 6.814 ( 0.796 -0.979 -2.170) 2.510 6.897 ( 0.995 -2.144 -0.271) 2.379 6.926 ( 0.938 -0.427 0.673) 1.231 6.951 ( 0.821 -1.897 4.839) 5.262 6.998 ( -1.694 2.289 2.842) 4.023 7.117 ( 0.041 -1.167 5.766) 5.883 7.126 ( -0.316 -2.533 3.120) 4.031 7.189 ( -2.036 2.062 2.751) 3.996 7.192 ( -3.589 -2.078 0.862) 4.235 7.390 ( 5.412 -4.222 1.390) 7.003 7.523 ( -1.418 -5.860 -0.002) 6.029 7.829 ( 2.909 5.485 0.965) 6.283 7.932 ( -2.251 5.667 0.016) 6.098 8.011 ( 2.092 3.389 0.063) 3.983 8.049 ( 0.566 1.766 0.280) 1.876 8.762 ( 0.632 2.033 -1.145) 2.417 8.803 ( -0.830 -0.803 -3.458) 3.645 8.838 ( 1.322 -1.605 -0.061) 2.080 8.921 ( -2.472 -0.429 -1.366) 2.857 9.079 ( 0.799 5.866 -0.511) 5.942 9.171 ( 0.625 8.953 -6.542) 11.106 9.500 ( -3.629 -0.920 6.086) 7.145 9.618 ( -5.518 -2.616 0.378) 6.119 9.898 ( 0.841 2.463 0.141) 2.607 9.912 ( 0.263 1.075 -3.452) 3.625 10.008 ( 4.853 0.005 -6.603) 8.195 10.172 ( -2.532 -3.496 -3.024) 5.270 10.508 ( 1.194 2.370 1.921) 3.276 10.579 ( -1.649 2.466 3.017) 4.232 10.791 ( 4.684 -6.002 2.226) 7.932 10.955 ( -2.600 -6.202 0.103) 6.726 ======================= Grid point 47 (21/60) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -11.690 9.273 4.918) 15.710 1.102 ( 11.690 9.273 4.918) 15.710 1.230 ( -7.940 8.986 6.862) 13.816 1.230 ( 7.940 8.986 6.862) 13.816 1.524 ( -1.115 1.005 -0.494) 1.581 1.524 ( 1.115 1.005 -0.494) 1.581 1.579 ( -2.908 -3.553 -2.971) 5.469 1.579 ( 2.908 -3.553 -2.971) 5.469 1.849 ( -3.931 2.519 -4.539) 6.511 1.849 ( 3.931 2.519 -4.539) 6.511 1.964 ( -3.775 1.000 0.991) 4.029 1.964 ( 3.775 1.000 0.991) 4.029 2.158 ( -3.660 0.431 -0.770) 3.765 2.158 ( 3.660 0.431 -0.770) 3.765 2.283 ( -11.737 12.717 3.902) 17.740 2.283 ( 11.737 12.717 3.902) 17.740 2.399 ( -9.081 9.442 3.926) 13.676 2.399 ( 9.081 9.442 3.926) 13.676 2.418 ( -3.586 7.580 3.347) 9.029 2.418 ( 3.586 7.580 3.347) 9.029 2.493 ( -1.433 -3.173 0.555) 3.526 2.493 ( 1.433 -3.173 0.555) 3.526 2.978 ( -7.066 2.707 -0.399) 7.577 2.978 ( 7.066 2.707 -0.399) 7.577 3.262 ( -3.097 2.835 2.157) 4.720 3.262 ( 3.097 2.835 2.157) 4.720 3.692 ( -3.037 -6.953 -12.397) 14.534 3.692 ( 3.037 -6.953 -12.397) 14.534 3.843 ( -7.149 -4.336 -0.448) 8.373 3.843 ( 7.149 -4.336 -0.448) 8.373 4.089 ( -4.486 -5.035 -2.019) 7.039 4.089 ( 4.486 -5.035 -2.019) 7.039 4.536 ( -3.481 -4.478 8.478) 10.201 4.536 ( 3.481 -4.478 8.478) 10.201 4.786 ( -8.129 -7.933 -3.615) 11.920 4.786 ( 8.129 -7.933 -3.615) 11.920 5.934 ( -1.279 4.102 -0.791) 4.369 5.934 ( 1.279 4.102 -0.791) 4.369 6.023 ( -1.819 0.705 1.499) 2.460 6.023 ( 1.819 0.705 1.499) 2.460 6.259 ( -0.870 5.362 0.385) 5.446 6.259 ( 0.870 5.362 0.385) 5.446 6.434 ( -3.117 0.532 -4.541) 5.534 6.434 ( 3.117 0.532 -4.541) 5.534 6.503 ( -0.872 2.201 -5.431) 5.924 6.503 ( 0.872 2.201 -5.431) 5.924 6.583 ( -0.490 2.348 -3.214) 4.010 6.583 ( 0.490 2.348 -3.214) 4.010 6.624 ( -1.151 1.410 -3.868) 4.275 6.624 ( 1.151 1.410 -3.868) 4.275 6.701 ( -0.510 -0.318 -0.707) 0.928 6.701 ( 0.510 -0.318 -0.707) 0.928 6.801 ( -1.820 -0.048 -0.565) 1.906 6.801 ( 1.820 -0.048 -0.565) 1.906 6.925 ( -1.517 -1.734 -1.050) 2.532 6.925 ( 1.517 -1.734 -1.050) 2.532 6.973 ( -1.310 -0.566 3.489) 3.770 6.973 ( 1.310 -0.566 3.489) 3.770 7.114 ( -2.608 -5.336 4.670) 7.556 7.114 ( 2.608 -5.336 4.670) 7.556 7.163 ( -1.898 4.186 2.212) 5.101 7.163 ( 1.898 4.186 2.212) 5.101 7.477 ( -3.516 -5.276 0.925) 6.407 7.477 ( 3.516 -5.276 0.925) 6.407 7.885 ( -2.722 5.120 -0.040) 5.799 7.885 ( 2.722 5.120 -0.040) 5.799 8.045 ( -1.165 2.076 0.024) 2.380 8.045 ( 1.165 2.076 0.024) 2.380 8.781 ( -1.296 1.183 -2.611) 3.146 8.781 ( 1.296 1.183 -2.611) 3.146 8.872 ( -2.311 -1.485 -1.203) 2.999 8.872 ( 2.311 -1.485 -1.203) 2.999 9.128 ( -3.772 10.076 -1.212) 10.827 9.128 ( 3.772 10.076 -1.212) 10.827 9.514 ( -4.463 -3.352 3.595) 6.639 9.514 ( 4.463 -3.352 3.595) 6.639 9.910 ( -0.375 2.085 -0.980) 2.334 9.910 ( 0.375 2.085 -0.980) 2.334 10.101 ( -4.620 -2.513 -6.474) 8.341 10.101 ( 4.620 -2.513 -6.474) 8.341 10.541 ( -2.119 3.071 2.625) 4.562 10.541 ( 2.119 3.071 2.625) 4.562 10.885 ( -4.649 -6.169 0.716) 7.758 10.885 ( 4.649 -6.169 0.716) 7.758 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 0.000 13.916 3.855) 14.440 1.225 ( 0.000 9.898 7.014) 12.131 1.385 ( 0.000 -3.182 1.479) 3.509 1.437 ( 0.000 -10.057 1.275) 10.138 1.460 ( 0.000 0.751 -0.308) 0.811 1.524 ( 0.000 -4.681 -1.486) 4.911 1.637 ( 0.000 3.821 0.576) 3.864 1.657 ( 0.000 3.617 2.289) 4.281 1.841 ( 0.000 2.051 0.390) 2.088 1.910 ( 0.000 -1.912 -1.247) 2.283 1.983 ( 0.000 5.369 -0.659) 5.409 2.096 ( 0.000 -2.674 -0.297) 2.690 2.148 ( 0.000 1.925 -1.214) 2.276 2.155 ( 0.000 -1.917 -0.412) 1.961 2.205 ( 0.000 7.252 0.265) 7.257 2.338 ( 0.000 -5.899 -2.221) 6.303 2.376 ( 0.000 18.937 3.952) 19.345 2.381 ( 0.000 1.785 -1.707) 2.470 2.430 ( 0.000 6.908 1.048) 6.987 2.571 ( 0.000 1.417 1.125) 1.809 2.605 ( 0.000 2.932 1.708) 3.394 2.889 ( 0.000 -20.884 -0.832) 20.901 2.977 ( 0.000 11.266 -8.009) 13.823 3.202 ( 0.000 -8.232 -7.331) 11.023 3.237 ( 0.000 12.698 1.620) 12.801 3.388 ( 0.000 -3.505 7.263) 8.065 3.472 ( 0.000 4.384 9.663) 10.611 3.565 ( 0.000 -9.438 -8.424) 12.651 3.610 ( 0.000 7.736 -7.205) 10.572 3.783 ( 0.000 -10.595 -1.282) 10.672 4.050 ( 0.000 0.846 -2.655) 2.787 4.079 ( 0.000 -2.741 1.705) 3.228 4.449 ( 0.000 -0.578 6.063) 6.091 4.489 ( 0.000 -4.459 2.321) 5.026 4.588 ( 0.000 5.921 2.902) 6.594 4.764 ( 0.000 -11.201 -3.472) 11.727 5.962 ( 0.000 1.575 0.159) 1.583 5.964 ( 0.000 1.255 -0.544) 1.368 6.039 ( 0.000 1.903 0.112) 1.907 6.068 ( 0.000 -1.317 0.676) 1.480 6.315 ( 0.000 0.218 -4.326) 4.332 6.315 ( 0.000 0.332 -2.415) 2.438 6.435 ( 0.000 6.324 -0.830) 6.379 6.530 ( 0.000 -0.946 -4.834) 4.926 6.539 ( 0.000 -1.731 -2.216) 2.812 6.548 ( 0.000 0.591 -1.597) 1.703 6.565 ( 0.000 1.487 -4.599) 4.834 6.593 ( 0.000 -0.015 -2.361) 2.361 6.640 ( 0.000 1.053 -3.587) 3.738 6.652 ( 0.000 -1.766 -0.995) 2.027 6.689 ( 0.000 1.927 -5.301) 5.640 6.692 ( 0.000 1.928 -5.227) 5.571 6.783 ( 0.000 1.249 0.955) 1.572 6.820 ( 0.000 0.313 0.201) 0.372 6.836 ( 0.000 -0.443 3.179) 3.210 6.889 ( 0.000 -3.240 3.574) 4.824 6.940 ( 0.000 1.837 5.753) 6.039 7.013 ( 0.000 -6.045 5.068) 7.889 7.114 ( 0.000 4.840 1.107) 4.965 7.142 ( 0.000 3.091 3.901) 4.978 7.210 ( 0.000 -4.010 -0.804) 4.090 7.219 ( 0.000 -3.809 3.063) 4.888 7.299 ( 0.000 6.093 -0.672) 6.130 7.417 ( 0.000 -6.498 -1.311) 6.629 7.921 ( 0.000 6.276 1.182) 6.386 8.001 ( 0.000 -1.497 0.956) 1.777 8.061 ( 0.000 1.781 -1.587) 2.386 8.071 ( 0.000 2.068 -1.568) 2.595 8.786 ( 0.000 -0.617 -1.931) 2.027 8.789 ( 0.000 -0.314 -0.501) 0.591 8.822 ( 0.000 3.414 1.476) 3.719 8.906 ( 0.000 -4.406 0.690) 4.460 9.148 ( 0.000 3.701 -0.119) 3.703 9.193 ( 0.000 -0.459 -2.077) 2.127 9.593 ( 0.000 1.822 0.742) 1.967 9.634 ( 0.000 -2.483 -2.134) 3.274 9.909 ( 0.000 0.684 -5.420) 5.463 9.913 ( 0.000 0.254 -5.239) 5.245 10.023 ( 0.000 4.277 -1.352) 4.485 10.107 ( 0.000 -4.874 0.117) 4.875 10.548 ( 0.000 3.769 1.318) 3.993 10.634 ( 0.000 -5.167 1.838) 5.484 10.699 ( 0.000 7.493 0.596) 7.516 10.847 ( 0.000 -7.883 -0.120) 7.884 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.25 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 1.547 12.361 3.544) 12.951 1.270 ( 3.905 7.915 4.813) 10.053 1.369 ( -1.890 -1.163 0.067) 2.220 1.434 ( 1.545 -6.020 1.891) 6.496 1.473 ( -4.824 1.300 0.567) 5.028 1.498 ( -2.412 -1.934 1.382) 3.387 1.541 ( -2.154 -0.118 1.227) 2.482 1.589 ( -6.162 -1.299 3.339) 7.128 1.876 ( 1.615 2.227 -1.992) 3.397 1.907 ( 0.108 -1.092 -2.960) 3.157 1.952 ( -2.903 4.222 -2.020) 5.507 2.043 ( -4.865 -3.316 -0.015) 5.887 2.172 ( 3.937 5.896 -2.044) 7.379 2.227 ( 3.398 3.776 -0.114) 5.081 2.259 ( 5.844 0.434 0.297) 5.868 2.352 ( 1.592 -5.137 -1.356) 5.546 2.393 ( 1.745 2.479 -1.423) 3.349 2.418 ( 0.275 -0.605 -1.963) 2.073 2.471 ( 4.268 15.156 5.438) 16.658 2.543 ( -2.401 1.614 0.597) 2.954 2.586 ( 0.383 9.672 3.194) 10.193 2.904 ( 2.665 -11.419 -0.184) 11.727 3.009 ( -9.009 9.326 0.337) 12.971 3.041 ( -1.508 3.635 -0.936) 4.045 3.265 ( -2.195 3.485 -2.448) 4.792 3.368 ( 1.511 -9.520 -5.283) 10.992 3.441 ( -2.681 2.046 -0.095) 3.374 3.548 ( -0.575 -5.761 -0.733) 5.836 3.725 ( 7.236 2.214 -4.439) 8.773 3.842 ( 6.127 -8.689 0.572) 10.647 3.979 ( -5.422 3.600 1.528) 6.685 4.073 ( -2.483 -5.089 -0.159) 5.665 4.470 ( 1.986 0.632 4.596) 5.047 4.528 ( 3.892 -5.417 1.339) 6.803 4.569 ( -1.768 5.024 3.005) 6.115 4.727 ( -3.814 -10.391 -3.021) 11.474 5.970 ( 1.105 2.111 -0.199) 2.391 5.984 ( 1.582 0.762 -0.158) 1.763 6.029 ( -0.976 1.583 0.148) 1.865 6.052 ( -1.412 -0.909 0.752) 1.840 6.316 ( 0.884 2.226 -2.813) 3.695 6.349 ( 2.319 -1.171 -3.670) 4.496 6.399 ( -2.731 4.529 -1.458) 5.486 6.465 ( -3.479 -2.422 -3.096) 5.249 6.551 ( 0.957 3.223 -4.290) 5.450 6.583 ( 1.607 1.266 -3.593) 4.135 6.597 ( 0.228 1.708 -2.799) 3.287 6.619 ( 2.874 -1.256 -2.963) 4.315 6.631 ( -0.217 0.606 -1.502) 1.634 6.657 ( 0.216 -0.435 -4.136) 4.164 6.678 ( -0.553 1.958 -4.560) 4.993 6.696 ( 0.168 0.523 -2.915) 2.966 6.788 ( 0.639 0.898 0.979) 1.474 6.816 ( -0.482 1.407 1.109) 1.855 6.841 ( 0.389 -2.562 2.184) 3.389 6.887 ( -0.691 -3.718 2.141) 4.346 6.946 ( 1.118 1.373 5.499) 5.777 7.000 ( -0.373 -4.530 5.673) 7.269 7.055 ( -3.690 2.947 2.975) 5.582 7.117 ( -4.616 -3.533 2.801) 6.452 7.207 ( 3.272 5.102 1.266) 6.192 7.290 ( -0.924 6.041 -0.486) 6.130 7.303 ( 4.333 -5.035 1.028) 6.722 7.408 ( -1.096 -6.387 -0.835) 6.534 7.942 ( 2.020 5.840 0.557) 6.204 8.011 ( 0.531 0.665 0.045) 0.852 8.040 ( -1.054 1.394 -0.762) 1.907 8.074 ( -0.384 -0.039 -1.276) 1.333 8.788 ( 0.350 0.015 -1.690) 1.726 8.798 ( 0.756 0.119 -0.744) 1.067 8.817 ( -0.283 1.476 0.459) 1.572 8.878 ( -2.373 -3.534 -0.073) 4.258 9.191 ( 4.575 5.577 0.437) 7.226 9.255 ( 5.529 -0.260 -1.657) 5.778 9.506 ( -7.604 2.036 1.222) 7.966 9.561 ( -6.563 -3.334 -0.705) 7.396 9.935 ( 1.788 1.364 -4.160) 4.729 9.944 ( 2.653 1.309 -3.943) 4.929 10.016 ( -0.376 1.794 -2.763) 3.316 10.086 ( -2.096 -4.903 -1.641) 5.579 10.575 ( 2.668 4.814 1.327) 5.661 10.675 ( 1.975 -0.823 1.191) 2.449 10.684 ( 0.231 2.164 0.714) 2.290 10.824 ( -2.375 -7.665 -0.024) 8.024 ======================= Grid point 52 (24/60) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -6.852 8.254 2.271) 10.965 1.269 ( 6.852 8.254 2.271) 10.965 1.353 ( -2.927 2.218 1.540) 3.983 1.353 ( 2.927 2.218 1.540) 3.983 1.488 ( -2.164 -2.596 3.870) 5.138 1.488 ( 2.164 -2.596 3.870) 5.138 1.512 ( -1.015 -2.920 0.760) 3.183 1.512 ( 1.015 -2.920 0.760) 3.183 1.895 ( -1.608 2.812 -3.709) 4.925 1.895 ( 1.608 2.812 -3.709) 4.925 1.953 ( -3.724 -2.749 -1.068) 4.750 1.953 ( 3.724 -2.749 -1.068) 4.750 2.241 ( -1.769 7.241 -0.812) 7.498 2.241 ( 1.769 7.241 -0.812) 7.498 2.355 ( -2.215 -3.286 -1.533) 4.249 2.355 ( 2.215 -3.286 -1.533) 4.249 2.447 ( -3.462 1.009 0.196) 3.612 2.447 ( 3.462 1.009 0.196) 3.612 2.461 ( -5.036 0.245 -0.355) 5.054 2.461 ( 5.036 0.245 -0.355) 5.054 2.755 ( -13.472 18.425 6.337) 23.689 2.755 ( 13.472 18.425 6.337) 23.689 2.989 ( -5.443 -4.963 1.081) 7.445 2.989 ( 5.443 -4.963 1.081) 7.445 3.304 ( -5.396 5.137 -4.930) 8.934 3.304 ( 5.396 5.137 -4.930) 8.934 3.492 ( -4.728 -12.757 -5.493) 14.672 3.492 ( 4.728 -12.757 -5.493) 14.672 3.858 ( -6.624 5.068 1.653) 8.503 3.858 ( 6.624 5.068 1.653) 8.503 3.981 ( -6.714 -6.852 0.769) 9.625 3.981 ( 6.714 -6.852 0.769) 9.625 4.518 ( -2.845 3.057 3.433) 5.406 4.518 ( 2.845 3.057 3.433) 5.406 4.631 ( -5.787 -8.094 -1.335) 10.039 4.631 ( 5.787 -8.094 -1.335) 10.039 5.996 ( -1.195 2.411 -0.314) 2.709 5.996 ( 1.195 2.411 -0.314) 2.709 6.024 ( -1.324 -0.650 0.640) 1.608 6.024 ( 1.324 -0.650 0.640) 1.608 6.345 ( -2.097 3.897 -2.158) 4.924 6.345 ( 2.097 3.897 -2.158) 4.924 6.405 ( -2.882 -2.655 -3.544) 5.283 6.405 ( 2.882 -2.655 -3.544) 5.283 6.575 ( -1.613 3.896 -4.323) 6.039 6.575 ( 1.613 3.896 -4.323) 6.039 6.617 ( -1.167 0.088 -2.604) 2.855 6.617 ( 1.167 0.088 -2.604) 2.855 6.652 ( -0.783 2.055 -4.344) 4.869 6.652 ( 0.783 2.055 -4.344) 4.869 6.689 ( -1.118 -1.017 -1.517) 2.141 6.689 ( 1.118 -1.017 -1.517) 2.141 6.805 ( -0.785 0.969 1.183) 1.719 6.805 ( 0.785 0.969 1.183) 1.719 6.857 ( -1.674 -4.373 1.593) 4.946 6.857 ( 1.674 -4.373 1.593) 4.946 6.987 ( -2.981 1.880 4.199) 5.482 6.987 ( 2.981 1.880 4.199) 5.482 7.035 ( -3.569 -3.249 4.622) 6.683 7.035 ( 3.569 -3.249 4.622) 6.683 7.260 ( -2.231 5.883 0.433) 6.307 7.260 ( 2.231 5.883 0.433) 6.307 7.372 ( -2.754 -5.938 0.134) 6.546 7.372 ( 2.754 -5.938 0.134) 6.546 7.986 ( -2.332 5.210 -0.534) 5.733 7.986 ( 2.332 5.210 -0.534) 5.733 8.054 ( -1.510 -1.655 -0.375) 2.271 8.054 ( 1.510 -1.655 -0.375) 2.271 8.798 ( -0.572 1.334 -1.127) 1.837 8.798 ( 0.572 1.334 -1.127) 1.837 8.834 ( -1.987 -2.323 -0.640) 3.124 8.834 ( 1.987 -2.323 -0.640) 3.124 9.303 ( -5.241 8.271 -0.503) 9.805 9.303 ( 5.241 8.271 -0.503) 9.805 9.431 ( -4.919 -5.631 1.406) 7.607 9.431 ( 4.919 -5.631 1.406) 7.607 9.964 ( -0.849 3.576 -2.272) 4.321 9.964 ( 0.849 3.576 -2.272) 4.321 10.037 ( -2.635 -4.041 -4.231) 6.417 10.037 ( 2.635 -4.041 -4.231) 6.417 10.633 ( -3.046 6.354 0.992) 7.116 10.633 ( 3.046 6.354 0.992) 7.116 10.761 ( -4.163 -7.010 0.376) 8.162 10.761 ( 4.163 -7.010 0.376) 8.162 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 0.000 16.620) 16.620 0.931 ( 0.000 0.000 19.712) 19.712 1.054 ( 0.000 0.000 -0.400) 0.400 1.333 ( 0.000 0.000 -0.161) 0.161 1.399 ( 0.000 0.000 -0.082) 0.082 1.433 ( 0.000 0.000 -6.374) 6.374 1.523 ( 0.000 0.000 -1.065) 1.065 1.560 ( 0.000 0.000 -4.752) 4.752 1.707 ( 0.000 0.000 7.594) 7.594 1.788 ( 0.000 0.000 17.765) 17.765 1.789 ( 0.000 0.000 -1.291) 1.291 1.918 ( 0.000 0.000 21.903) 21.903 1.986 ( 0.000 0.000 -5.953) 5.953 2.079 ( 0.000 0.000 -3.057) 3.057 2.233 ( 0.000 0.000 1.131) 1.131 2.273 ( 0.000 0.000 1.692) 1.692 2.321 ( 0.000 0.000 -1.015) 1.015 2.345 ( 0.000 0.000 0.186) 0.186 2.400 ( 0.000 0.000 -2.209) 2.209 2.599 ( 0.000 0.000 4.959) 4.959 2.639 ( 0.000 0.000 6.290) 6.290 2.864 ( 0.000 0.000 7.359) 7.359 2.901 ( 0.000 0.000 4.788) 4.788 2.981 ( 0.000 0.000 -1.040) 1.040 3.259 ( 0.000 0.000 -1.306) 1.306 3.386 ( 0.000 0.000 8.683) 8.683 3.516 ( 0.000 0.000 -6.137) 6.137 3.548 ( 0.000 0.000 -6.706) 6.706 3.654 ( 0.000 0.000 -7.385) 7.385 3.692 ( 0.000 0.000 -10.138) 10.138 4.146 ( 0.000 0.000 -7.680) 7.680 4.205 ( 0.000 0.000 -1.547) 1.547 4.638 ( 0.000 0.000 -5.486) 5.486 4.703 ( 0.000 0.000 2.488) 2.488 4.941 ( 0.000 0.000 -10.608) 10.608 5.000 ( 0.000 0.000 4.528) 4.528 5.774 ( 0.000 0.000 -1.047) 1.047 5.807 ( 0.000 0.000 -2.209) 2.209 5.932 ( 0.000 0.000 2.211) 2.211 6.022 ( 0.000 0.000 4.853) 4.853 6.106 ( 0.000 0.000 0.601) 0.601 6.210 ( 0.000 0.000 2.389) 2.389 6.236 ( 0.000 0.000 -0.436) 0.436 6.273 ( 0.000 0.000 -2.893) 2.893 6.383 ( 0.000 0.000 -4.121) 4.121 6.393 ( 0.000 0.000 -4.525) 4.525 6.404 ( 0.000 0.000 -3.325) 3.325 6.484 ( 0.000 0.000 -3.283) 3.283 6.507 ( 0.000 0.000 -4.259) 4.259 6.541 ( 0.000 0.000 -3.731) 3.731 6.643 ( 0.000 0.000 -6.237) 6.237 6.702 ( 0.000 0.000 -3.594) 3.594 6.741 ( 0.000 0.000 -0.694) 0.694 6.782 ( 0.000 0.000 1.927) 1.927 6.910 ( 0.000 0.000 1.660) 1.660 6.914 ( 0.000 0.000 0.036) 0.036 6.976 ( 0.000 0.000 3.286) 3.286 7.111 ( 0.000 0.000 5.954) 5.954 7.216 ( 0.000 0.000 5.966) 5.966 7.238 ( 0.000 0.000 4.604) 4.604 7.282 ( 0.000 0.000 -2.134) 2.134 7.363 ( 0.000 0.000 -1.381) 1.381 7.595 ( 0.000 0.000 7.463) 7.463 7.675 ( 0.000 0.000 3.005) 3.005 7.716 ( 0.000 0.000 1.714) 1.714 7.867 ( 0.000 0.000 -2.415) 2.415 7.889 ( 0.000 0.000 -2.596) 2.596 7.981 ( 0.000 0.000 -2.060) 2.060 8.445 ( 0.000 0.000 2.481) 2.481 8.732 ( 0.000 0.000 -3.321) 3.321 8.777 ( 0.000 0.000 0.800) 0.800 8.867 ( 0.000 0.000 0.038) 0.038 8.910 ( 0.000 0.000 -1.523) 1.523 8.971 ( 0.000 0.000 -4.604) 4.604 9.694 ( 0.000 0.000 6.165) 6.165 9.714 ( 0.000 0.000 -1.622) 1.622 9.793 ( 0.000 0.000 -1.670) 1.670 9.867 ( 0.000 0.000 -2.282) 2.282 9.868 ( 0.000 0.000 -1.964) 1.964 10.145 ( 0.000 0.000 -2.461) 2.461 10.494 ( 0.000 0.000 0.728) 0.728 10.624 ( 0.000 0.000 -5.052) 5.052 11.091 ( 0.000 0.000 0.412) 0.412 11.110 ( 0.000 0.000 -0.018) 0.018 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 3.478 0.000 11.766) 12.269 0.997 ( 6.680 0.000 17.177) 18.430 1.059 ( -1.421 0.000 0.676) 1.574 1.329 ( -6.959 0.000 5.688) 8.987 1.352 ( 3.185 0.000 2.139) 3.837 1.459 ( 2.270 0.000 -5.631) 6.071 1.536 ( -2.336 0.000 -3.409) 4.133 1.581 ( 5.429 0.000 -6.004) 8.094 1.623 ( -5.539 0.000 3.301) 6.448 1.836 ( -2.804 0.000 -2.383) 3.680 1.897 ( 7.998 0.000 0.086) 7.998 1.903 ( 4.517 0.000 15.767) 16.401 2.044 ( 8.722 0.000 10.471) 13.628 2.151 ( 4.578 0.000 1.903) 4.957 2.209 ( -6.044 0.000 -0.189) 6.047 2.249 ( 1.432 0.000 1.302) 1.935 2.276 ( -4.376 0.000 1.178) 4.532 2.313 ( -1.069 0.000 0.805) 1.338 2.404 ( -1.399 0.000 0.957) 1.696 2.551 ( -2.897 0.000 3.882) 4.844 2.610 ( -4.206 0.000 6.278) 7.557 2.729 ( -11.956 0.000 10.831) 16.132 2.937 ( 3.818 0.000 5.291) 6.524 3.046 ( 4.761 0.000 -3.050) 5.654 3.217 ( -10.596 0.000 5.869) 12.113 3.218 ( -3.310 0.000 -1.168) 3.510 3.449 ( -0.300 0.000 -7.268) 7.275 3.646 ( -4.120 0.000 -9.210) 10.089 3.734 ( 12.325 0.000 -4.277) 13.046 3.858 ( 12.743 0.000 -5.548) 13.898 4.095 ( -5.331 0.000 -7.171) 8.936 4.175 ( -3.369 0.000 -6.065) 6.938 4.650 ( 2.958 0.000 -5.576) 6.312 4.765 ( 2.662 0.000 -3.165) 4.136 4.905 ( -1.774 0.000 -2.417) 2.999 4.996 ( -1.257 0.000 3.499) 3.718 5.782 ( 0.763 0.000 -1.067) 1.311 5.807 ( -0.126 0.000 -1.947) 1.951 5.954 ( 1.990 0.000 1.915) 2.762 6.015 ( -0.758 0.000 4.080) 4.150 6.112 ( 0.816 0.000 1.052) 1.331 6.208 ( -2.718 0.000 0.042) 2.718 6.233 ( 1.918 0.000 -0.967) 2.148 6.273 ( -0.129 0.000 -3.133) 3.135 6.400 ( 0.683 0.000 -4.520) 4.571 6.412 ( 1.840 0.000 -4.276) 4.655 6.413 ( 0.854 0.000 -3.423) 3.528 6.463 ( -1.568 0.000 -3.457) 3.796 6.503 ( 0.427 0.000 -3.175) 3.204 6.565 ( 1.878 0.000 -3.789) 4.229 6.631 ( -4.674 0.000 -3.049) 5.581 6.632 ( -1.189 0.000 -5.646) 5.770 6.786 ( 2.091 0.000 -0.249) 2.106 6.796 ( 1.195 0.000 0.287) 1.228 6.909 ( 0.068 0.000 0.996) 0.998 6.916 ( 0.004 0.000 0.236) 0.236 6.999 ( 2.281 0.000 3.393) 4.089 7.096 ( -1.638 0.000 5.471) 5.711 7.219 ( 0.255 0.000 5.783) 5.789 7.234 ( -0.377 0.000 4.811) 4.825 7.273 ( -0.162 0.000 -0.817) 0.833 7.344 ( -2.117 0.000 -1.301) 2.484 7.632 ( 3.144 0.000 5.516) 6.349 7.700 ( 2.529 0.000 2.446) 3.518 7.712 ( -0.595 0.000 2.284) 2.360 7.847 ( -3.863 0.000 -1.304) 4.077 7.905 ( 3.273 0.000 -3.538) 4.820 7.980 ( -0.313 0.000 -2.519) 2.539 8.488 ( 4.031 0.000 1.484) 4.295 8.669 ( -4.503 0.000 -1.334) 4.696 8.824 ( 2.902 0.000 -0.921) 3.045 8.878 ( 1.236 0.000 -0.541) 1.349 8.900 ( -1.004 0.000 -1.484) 1.792 8.954 ( -1.720 0.000 -3.825) 4.194 9.655 ( -1.262 0.000 3.595) 3.810 9.713 ( -2.791 0.000 1.607) 3.221 9.805 ( 2.536 0.000 -3.362) 4.211 9.862 ( -0.464 0.000 -1.949) 2.003 9.925 ( 4.666 0.000 -1.653) 4.950 10.110 ( -3.508 0.000 -2.545) 4.333 10.512 ( 1.938 0.000 1.105) 2.231 10.616 ( -1.421 0.000 -3.188) 3.491 11.054 ( -2.192 0.000 1.521) 2.668 11.091 ( -1.972 0.000 -0.074) 1.973 ======================= Grid point 72 (27/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -5.864 0.000 4.655) 7.488 0.979 ( 5.864 0.000 4.655) 7.488 1.161 ( -9.764 0.000 11.635) 15.189 1.161 ( 9.764 0.000 11.635) 15.189 1.447 ( -5.214 0.000 2.860) 5.947 1.447 ( 5.214 0.000 2.860) 5.947 1.531 ( -3.573 0.000 -3.962) 5.335 1.531 ( 3.573 0.000 -3.962) 5.335 1.709 ( -7.600 0.000 -5.760) 9.536 1.709 ( 7.600 0.000 -5.760) 9.536 2.051 ( -7.892 0.000 -0.225) 7.895 2.051 ( 7.892 0.000 -0.225) 7.895 2.061 ( -8.852 0.000 -0.760) 8.884 2.061 ( 8.852 0.000 -0.760) 8.884 2.283 ( -1.927 0.000 1.584) 2.494 2.283 ( 1.927 0.000 1.584) 2.494 2.319 ( -5.978 0.000 3.297) 6.827 2.319 ( 5.978 0.000 3.297) 6.827 2.354 ( -16.864 0.000 21.582) 27.389 2.354 ( 16.864 0.000 21.582) 27.389 2.584 ( -3.321 0.000 1.836) 3.795 2.584 ( 3.321 0.000 1.836) 3.795 3.044 ( -7.431 0.000 5.947) 9.518 3.044 ( 7.431 0.000 5.947) 9.518 3.138 ( -4.821 0.000 -4.398) 6.526 3.138 ( 4.821 0.000 -4.398) 6.526 3.529 ( -6.945 0.000 -4.911) 8.506 3.529 ( 6.945 0.000 -4.911) 8.506 3.949 ( -9.832 0.000 -5.807) 11.419 3.949 ( 9.832 0.000 -5.807) 11.419 4.066 ( -8.475 0.000 -8.306) 11.867 4.066 ( 8.475 0.000 -8.306) 11.867 4.730 ( -4.626 0.000 -8.891) 10.023 4.730 ( 4.626 0.000 -8.891) 10.023 4.942 ( -3.981 0.000 5.570) 6.846 4.942 ( 3.981 0.000 5.570) 6.846 5.798 ( -0.775 0.000 -1.393) 1.594 5.798 ( 0.775 0.000 -1.393) 1.594 5.992 ( -1.697 0.000 2.440) 2.972 5.992 ( 1.697 0.000 2.440) 2.972 6.148 ( -3.014 0.000 1.036) 3.187 6.148 ( 3.014 0.000 1.036) 3.187 6.263 ( -1.048 0.000 -3.239) 3.404 6.263 ( 1.048 0.000 -3.239) 3.404 6.416 ( -0.874 0.000 -4.606) 4.689 6.416 ( 0.874 0.000 -4.606) 4.689 6.435 ( -1.382 0.000 -3.529) 3.790 6.435 ( 1.382 0.000 -3.529) 3.790 6.548 ( -3.829 0.000 -2.715) 4.694 6.548 ( 3.829 0.000 -2.715) 4.694 6.601 ( -1.863 0.000 -4.488) 4.859 6.601 ( 1.863 0.000 -4.488) 4.859 6.808 ( -0.246 0.000 -0.312) 0.397 6.808 ( 0.246 0.000 -0.312) 0.397 6.913 ( -0.277 0.000 0.377) 0.468 6.913 ( 0.277 0.000 0.377) 0.468 7.051 ( -2.879 0.000 4.313) 5.186 7.051 ( 2.879 0.000 4.313) 5.186 7.226 ( -0.449 0.000 5.309) 5.328 7.226 ( 0.449 0.000 5.309) 5.328 7.295 ( -2.413 0.000 -0.463) 2.457 7.295 ( 2.413 0.000 -0.463) 2.457 7.686 ( -2.232 0.000 3.358) 4.032 7.686 ( 2.232 0.000 3.358) 4.032 7.766 ( -4.225 0.000 0.872) 4.314 7.766 ( 4.225 0.000 0.872) 4.314 7.960 ( -2.027 0.000 -3.622) 4.150 7.960 ( 2.027 0.000 -3.622) 4.150 8.578 ( -5.018 0.000 -0.069) 5.018 8.578 ( 5.018 0.000 -0.069) 5.018 8.871 ( -2.022 0.000 -1.338) 2.424 8.871 ( 2.022 0.000 -1.338) 2.424 8.913 ( -2.277 0.000 -2.102) 3.099 8.913 ( 2.277 0.000 -2.102) 3.099 9.661 ( -1.883 0.000 2.558) 3.176 9.661 ( 1.883 0.000 2.558) 3.176 9.845 ( -1.454 0.000 -2.891) 3.236 9.845 ( 1.454 0.000 -2.891) 3.236 10.023 ( -5.274 0.000 -2.023) 5.649 10.023 ( 5.274 0.000 -2.023) 5.649 10.565 ( -3.349 0.000 0.348) 3.367 10.565 ( 3.349 0.000 0.348) 3.367 11.050 ( -1.659 0.000 0.570) 1.754 11.050 ( 1.659 0.000 0.570) 1.754 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.000 5.461 17.073) 17.925 1.036 ( 0.000 14.822 14.659) 20.846 1.195 ( 0.000 12.172 -0.578) 12.185 1.383 ( 0.000 5.899 -1.174) 6.014 1.395 ( 0.000 1.348 1.004) 1.681 1.464 ( 0.000 2.476 -4.586) 5.211 1.530 ( 0.000 0.136 -2.919) 2.923 1.589 ( 0.000 3.805 -3.412) 5.111 1.666 ( 0.000 -3.489 4.559) 5.741 1.831 ( 0.000 4.090 -0.142) 4.092 1.869 ( 0.000 6.003 4.451) 7.473 1.986 ( 0.000 6.876 21.129) 22.220 2.013 ( 0.000 4.689 4.473) 6.481 2.035 ( 0.000 -3.910 -2.692) 4.747 2.191 ( 0.000 -4.562 1.928) 4.953 2.259 ( 0.000 1.921 -0.678) 2.037 2.312 ( 0.000 -0.999 -0.986) 1.404 2.393 ( 0.000 -0.857 -2.538) 2.679 2.439 ( 0.000 5.403 1.696) 5.663 2.560 ( 0.000 -3.169 3.349) 4.611 2.621 ( 0.000 -1.768 5.628) 5.899 2.777 ( 0.000 -3.265 2.975) 4.417 3.003 ( 0.000 2.275 -2.568) 3.431 3.037 ( 0.000 7.186 9.476) 11.893 3.246 ( 0.000 1.589 -3.596) 3.931 3.376 ( 0.000 -12.012 -5.571) 13.241 3.508 ( 0.000 10.062 7.776) 12.716 3.516 ( 0.000 -3.032 -11.850) 12.231 3.660 ( 0.000 0.850 -7.589) 7.636 3.738 ( 0.000 1.480 -3.526) 3.824 4.105 ( 0.000 -3.446 -5.146) 6.193 4.167 ( 0.000 -4.736 -1.713) 5.036 4.605 ( 0.000 -2.868 -3.679) 4.665 4.676 ( 0.000 -2.559 1.624) 3.031 4.905 ( 0.000 -3.747 -9.459) 10.174 4.930 ( 0.000 -6.995 4.881) 8.529 5.816 ( 0.000 4.097 -0.834) 4.181 5.842 ( 0.000 3.241 -1.535) 3.586 5.995 ( 0.000 2.537 3.358) 4.209 6.090 ( 0.000 8.256 -1.550) 8.400 6.140 ( 0.000 0.460 0.743) 0.874 6.214 ( 0.000 4.664 2.237) 5.172 6.271 ( 0.000 2.128 0.021) 2.128 6.290 ( 0.000 2.313 -3.419) 4.128 6.386 ( 0.000 -0.384 -4.864) 4.879 6.393 ( 0.000 1.053 -4.157) 4.288 6.414 ( 0.000 1.074 -3.677) 3.831 6.498 ( 0.000 -0.244 -4.966) 4.972 6.505 ( 0.000 2.063 -3.486) 4.051 6.573 ( 0.000 2.427 -2.512) 3.493 6.643 ( 0.000 -0.307 -4.928) 4.938 6.690 ( 0.000 -0.761 -3.540) 3.621 6.742 ( 0.000 0.221 -0.882) 0.909 6.763 ( 0.000 -1.730 1.652) 2.392 6.913 ( 0.000 -0.397 0.669) 0.778 6.921 ( 0.000 1.100 1.423) 1.799 6.990 ( 0.000 2.059 2.769) 3.450 7.102 ( 0.000 -0.993 5.776) 5.861 7.201 ( 0.000 -1.290 4.742) 4.914 7.237 ( 0.000 -0.046 4.079) 4.079 7.278 ( 0.000 -0.596 -1.141) 1.287 7.331 ( 0.000 -3.741 -0.981) 3.868 7.510 ( 0.000 -6.904 7.678) 10.326 7.644 ( 0.000 -6.260 0.024) 6.260 7.719 ( 0.000 3.351 0.453) 3.381 7.892 ( 0.000 4.145 1.427) 4.383 7.931 ( 0.000 2.628 -0.543) 2.683 7.992 ( 0.000 1.589 -2.210) 2.722 8.595 ( 0.000 11.185 -2.182) 11.396 8.738 ( 0.000 0.224 -3.944) 3.950 8.823 ( 0.000 4.292 -0.096) 4.293 8.867 ( 0.000 1.426 0.415) 1.485 8.910 ( 0.000 0.901 -1.143) 1.456 9.004 ( 0.000 2.774 -3.425) 4.408 9.686 ( 0.000 -1.032 5.768) 5.860 9.688 ( 0.000 -2.631 -1.734) 3.151 9.799 ( 0.000 0.688 -2.977) 3.055 9.861 ( 0.000 -0.743 -2.074) 2.203 9.869 ( 0.000 0.445 -2.143) 2.189 10.151 ( 0.000 0.231 -3.472) 3.480 10.498 ( 0.000 0.609 0.866) 1.058 10.609 ( 0.000 -1.127 -3.434) 3.615 10.998 ( 0.000 -8.510 3.019) 9.030 11.074 ( 0.000 -3.843 -0.201) 3.848 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 3.284 7.288 14.367) 16.441 1.091 ( 4.834 11.532 11.864) 17.236 1.210 ( -1.034 13.344 1.625) 13.483 1.326 ( -3.911 0.811 3.975) 5.636 1.410 ( 0.223 5.409 2.073) 5.797 1.469 ( 1.548 1.362 -4.401) 4.860 1.546 ( 0.145 -0.527 -5.612) 5.638 1.581 ( -1.766 0.761 0.813) 2.087 1.627 ( -0.734 1.026 -1.230) 1.762 1.828 ( -3.447 0.520 -2.319) 4.187 1.887 ( 1.166 0.043 -2.142) 2.439 1.995 ( 7.394 6.974 8.999) 13.575 2.067 ( 0.199 -0.491 -0.168) 0.556 2.132 ( 6.582 0.277 10.245) 12.180 2.175 ( 3.378 1.405 5.354) 6.485 2.275 ( -0.465 0.433 -0.366) 0.733 2.303 ( 1.053 1.251 2.262) 2.791 2.371 ( -5.512 5.582 3.128) 8.445 2.399 ( -0.743 -0.214 -0.212) 0.802 2.535 ( -1.835 -1.369 2.843) 3.650 2.586 ( -2.405 -2.248 3.593) 4.873 2.769 ( -8.279 3.650 8.978) 12.747 2.903 ( -0.665 -0.640 5.103) 5.186 3.096 ( -0.679 -0.414 -0.380) 0.882 3.181 ( -1.900 4.402 -2.171) 5.263 3.312 ( -2.975 1.395 3.258) 4.627 3.445 ( -2.161 0.130 -11.519) 11.721 3.559 ( -0.619 -4.380 -6.714) 8.040 3.763 ( 7.553 0.667 -2.249) 7.909 3.849 ( 9.458 -0.976 -4.002) 10.316 4.063 ( -3.767 -2.714 -4.939) 6.779 4.143 ( -2.505 -3.513 -5.099) 6.680 4.631 ( 2.801 -1.842 -4.909) 5.944 4.721 ( 2.768 -4.334 -1.808) 5.451 4.855 ( -2.629 -4.974 -1.263) 5.766 4.934 ( -1.173 -6.134 2.313) 6.660 5.823 ( 0.728 3.969 -0.758) 4.106 5.846 ( 0.137 3.621 -1.408) 3.887 6.005 ( 1.147 2.283 2.888) 3.856 6.062 ( -1.698 4.594 1.573) 5.144 6.160 ( 1.020 4.100 0.005) 4.225 6.219 ( -0.719 3.758 -0.274) 3.836 6.262 ( 0.265 2.233 -1.084) 2.496 6.290 ( -0.213 2.401 -3.225) 4.026 6.387 ( 0.553 -1.198 -4.275) 4.474 6.413 ( 0.813 0.399 -4.410) 4.502 6.428 ( 1.277 1.397 -4.127) 4.541 6.477 ( -1.481 1.082 -4.121) 4.511 6.507 ( 0.575 1.075 -3.025) 3.261 6.584 ( -0.017 0.849 -3.113) 3.227 6.625 ( -1.372 0.876 -3.787) 4.122 6.658 ( -1.389 1.720 -4.040) 4.605 6.775 ( 1.696 -1.285 1.136) 2.412 6.784 ( 1.785 -0.785 -1.179) 2.279 6.910 ( -0.015 -0.128 0.697) 0.708 6.924 ( -0.055 0.794 0.415) 0.898 7.005 ( 1.669 1.094 3.230) 3.796 7.089 ( -1.413 -0.704 5.231) 5.464 7.204 ( 0.362 -1.410 4.354) 4.591 7.231 ( -0.537 -0.248 4.153) 4.195 7.260 ( -1.039 -1.168 1.034) 1.874 7.306 ( -2.412 -4.047 -0.275) 4.720 7.550 ( 3.392 -6.514 4.419) 8.571 7.640 ( -0.705 -5.916 0.480) 5.977 7.750 ( 2.987 3.421 0.874) 4.625 7.878 ( -2.163 2.873 1.322) 3.831 7.944 ( 1.893 3.660 -1.292) 4.319 7.994 ( 0.051 1.857 -2.221) 2.896 8.609 ( 1.395 9.291 -2.080) 9.623 8.701 ( -2.942 2.564 -2.627) 4.705 8.838 ( 1.010 1.056 -1.014) 1.779 8.868 ( -0.191 -0.183 -1.149) 1.179 8.925 ( 1.664 3.890 -0.370) 4.247 8.994 ( -1.038 3.776 -2.620) 4.712 9.636 ( -1.526 -2.043 2.966) 3.912 9.692 ( -2.620 -2.307 1.439) 3.776 9.814 ( 2.358 1.027 -3.466) 4.316 9.866 ( -0.362 0.540 -2.195) 2.289 9.914 ( 4.526 -1.070 -1.953) 5.045 10.110 ( -4.004 -0.245 -3.373) 5.242 10.517 ( 1.810 0.655 1.243) 2.291 10.601 ( -1.182 -1.072 -1.914) 2.492 10.986 ( -0.386 -6.524 2.497) 6.996 11.053 ( -2.091 -3.959 -0.152) 4.480 ======================= Grid point 77 (30/60) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -6.811 9.727 7.637) 14.119 1.109 ( 6.811 9.727 7.637) 14.119 1.215 ( -6.842 6.741 8.077) 12.550 1.215 ( 6.842 6.741 8.077) 12.550 1.477 ( -4.675 2.634 2.688) 6.001 1.477 ( 4.675 2.634 2.688) 6.001 1.521 ( -1.344 -0.604 -3.505) 3.802 1.521 ( 1.344 -0.604 -3.505) 3.802 1.710 ( -6.747 0.442 -6.003) 9.041 1.710 ( 6.747 0.442 -6.003) 9.041 1.973 ( -6.133 -2.283 -1.588) 6.734 1.973 ( 6.133 -2.283 -1.588) 6.734 2.160 ( -6.962 2.667 -1.238) 7.557 2.160 ( 6.962 2.667 -1.238) 7.557 2.260 ( -4.220 0.911 4.736) 6.408 2.260 ( 4.220 0.911 4.736) 6.408 2.323 ( -5.568 0.848 1.334) 5.788 2.323 ( 5.568 0.848 1.334) 5.788 2.461 ( -12.041 8.741 16.874) 22.498 2.461 ( 12.041 8.741 16.874) 22.498 2.566 ( -3.774 -1.112 3.621) 5.347 2.566 ( 3.774 -1.112 3.621) 5.347 2.985 ( -6.535 -3.060 1.028) 7.289 2.985 ( 6.535 -3.060 1.028) 7.289 3.242 ( -4.434 7.129 -0.462) 8.408 3.242 ( 4.434 7.129 -0.462) 8.408 3.486 ( -5.116 -4.353 -7.695) 10.215 3.486 ( 5.116 -4.353 -7.695) 10.215 3.906 ( -5.812 -3.291 -3.097) 7.362 3.906 ( 5.812 -3.291 -3.097) 7.362 4.064 ( -5.408 -0.891 -6.752) 8.697 4.064 ( 5.408 -0.891 -6.752) 8.697 4.699 ( -3.909 -3.069 -7.647) 9.120 4.699 ( 3.909 -3.069 -7.647) 9.120 4.880 ( -3.895 -6.110 5.146) 8.888 4.880 ( 3.895 -6.110 5.146) 8.888 5.840 ( -0.798 3.880 -0.927) 4.069 5.840 ( 0.798 3.880 -0.927) 4.069 6.033 ( -1.519 2.706 2.283) 3.853 6.033 ( 1.519 2.706 2.283) 3.853 6.185 ( -1.920 4.233 0.494) 4.674 6.185 ( 1.920 4.233 0.494) 4.674 6.280 ( -0.883 2.279 -3.396) 4.184 6.280 ( 0.883 2.279 -3.396) 4.184 6.406 ( -1.256 -1.066 -4.304) 4.608 6.406 ( 1.256 -1.066 -4.304) 4.608 6.451 ( -1.311 1.603 -4.060) 4.557 6.451 ( 1.311 1.603 -4.060) 4.557 6.544 ( -2.825 0.189 -2.965) 4.100 6.544 ( 2.825 0.189 -2.965) 4.100 6.634 ( -1.284 2.679 -3.793) 4.818 6.634 ( 1.284 2.679 -3.793) 4.818 6.799 ( -0.393 -0.886 -0.276) 1.008 6.799 ( 0.393 -0.886 -0.276) 1.008 6.916 ( -0.565 0.220 0.173) 0.631 6.916 ( 0.565 0.220 0.173) 0.631 7.049 ( -2.606 -0.070 4.031) 4.801 7.049 ( 2.606 -0.070 4.031) 4.801 7.217 ( -0.911 -0.961 4.314) 4.512 7.217 ( 0.911 -0.961 4.314) 4.512 7.262 ( -1.488 -2.873 1.281) 3.480 7.262 ( 1.488 -2.873 1.281) 3.480 7.610 ( -2.511 -6.082 1.436) 6.735 7.610 ( 2.511 -6.082 1.436) 6.735 7.818 ( -3.795 3.479 1.436) 5.345 7.818 ( 3.795 3.479 1.436) 5.345 7.983 ( -1.482 2.564 -2.231) 3.707 7.983 ( 1.482 2.564 -2.231) 3.707 8.647 ( -2.572 5.647 -1.969) 6.510 8.647 ( 2.572 5.647 -1.969) 6.510 8.857 ( -0.910 -0.793 -1.608) 2.011 8.857 ( 0.910 -0.793 -1.608) 2.011 8.964 ( -2.077 5.138 -1.053) 5.641 8.964 ( 2.077 5.138 -1.053) 5.641 9.641 ( -1.882 -2.329 2.316) 3.786 9.641 ( 1.882 -2.329 2.316) 3.786 9.852 ( -1.295 0.723 -2.945) 3.297 9.852 ( 1.295 0.723 -2.945) 3.297 10.015 ( -5.624 -0.954 -2.639) 6.285 10.015 ( 5.624 -0.954 -2.639) 6.285 10.561 ( -2.636 -0.075 0.730) 2.736 10.561 ( 2.636 -0.075 0.730) 2.736 11.006 ( -2.296 -4.489 0.626) 5.081 11.006 ( 2.296 -4.489 0.626) 5.081 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.000 8.423 11.171) 13.991 1.264 ( 0.000 9.375 11.371) 14.737 1.340 ( 0.000 3.668 -0.607) 3.718 1.482 ( 0.000 2.089 0.056) 2.090 1.499 ( 0.000 1.244 -3.271) 3.499 1.538 ( 0.000 2.883 -1.939) 3.474 1.560 ( 0.000 11.343 2.918) 11.712 1.589 ( 0.000 -3.131 2.280) 3.873 1.724 ( 0.000 9.133 -4.015) 9.977 1.895 ( 0.000 -0.908 3.268) 3.392 1.924 ( 0.000 0.656 -2.582) 2.664 1.985 ( 0.000 2.138 -5.112) 5.541 2.089 ( 0.000 5.095 0.066) 5.096 2.141 ( 0.000 0.400 1.065) 1.138 2.252 ( 0.000 -4.345 -2.140) 4.844 2.265 ( 0.000 17.739 21.986) 28.250 2.298 ( 0.000 0.224 -2.220) 2.231 2.366 ( 0.000 -2.099 -3.047) 3.700 2.448 ( 0.000 -3.896 2.554) 4.659 2.570 ( 0.000 4.290 2.096) 4.774 2.592 ( 0.000 -0.729 3.296) 3.376 2.761 ( 0.000 1.903 0.925) 2.116 3.047 ( 0.000 0.432 -8.952) 8.963 3.132 ( 0.000 3.999 3.396) 5.246 3.141 ( 0.000 -11.036 -1.215) 11.102 3.345 ( 0.000 7.668 -3.429) 8.399 3.433 ( 0.000 -5.744 -13.385) 14.566 3.647 ( 0.000 2.018 10.357) 10.552 3.700 ( 0.000 -5.698 4.219) 7.090 3.750 ( 0.000 11.165 -8.921) 14.292 4.006 ( 0.000 -9.140 1.397) 9.246 4.075 ( 0.000 -1.765 -3.820) 4.208 4.558 ( 0.000 -1.769 -1.354) 2.228 4.613 ( 0.000 -4.332 -0.266) 4.340 4.770 ( 0.000 -9.149 5.075) 10.462 4.812 ( 0.000 -5.869 -5.596) 8.109 5.904 ( 0.000 4.736 -0.308) 4.746 5.906 ( 0.000 3.259 -0.642) 3.322 6.021 ( 0.000 0.822 1.612) 1.810 6.117 ( 0.000 -1.772 0.867) 1.973 6.205 ( 0.000 2.979 -2.465) 3.867 6.285 ( 0.000 -0.191 -0.478) 0.515 6.350 ( 0.000 4.938 2.075) 5.356 6.379 ( 0.000 5.319 -5.671) 7.775 6.410 ( 0.000 3.766 -5.087) 6.329 6.423 ( 0.000 2.541 -4.135) 4.853 6.454 ( 0.000 4.496 -3.302) 5.578 6.504 ( 0.000 1.025 -4.968) 5.073 6.546 ( 0.000 1.935 -4.150) 4.579 6.612 ( 0.000 1.402 -1.338) 1.938 6.620 ( 0.000 -1.788 -1.200) 2.153 6.685 ( 0.000 -0.751 -1.420) 1.606 6.745 ( 0.000 1.150 -1.584) 1.958 6.753 ( 0.000 0.943 -1.226) 1.547 6.904 ( 0.000 -0.414 2.160) 2.199 6.941 ( 0.000 0.655 0.993) 1.190 7.050 ( 0.000 4.000 1.414) 4.242 7.076 ( 0.000 -1.623 5.523) 5.757 7.185 ( 0.000 -0.100 2.982) 2.984 7.223 ( 0.000 -6.536 1.666) 6.745 7.244 ( 0.000 0.418 2.407) 2.443 7.255 ( 0.000 -1.922 -0.010) 1.922 7.395 ( 0.000 -5.136 5.604) 7.601 7.516 ( 0.000 -6.997 -0.896) 7.054 7.796 ( 0.000 5.305 -1.249) 5.450 7.970 ( 0.000 2.221 -0.692) 2.326 7.996 ( 0.000 5.392 1.360) 5.560 8.028 ( 0.000 1.178 -1.242) 1.712 8.737 ( 0.000 -0.027 -3.294) 3.294 8.739 ( 0.000 4.615 -1.287) 4.791 8.833 ( 0.000 -0.703 0.462) 0.841 8.935 ( 0.000 0.807 -0.923) 1.226 9.019 ( 0.000 10.296 -2.836) 10.679 9.065 ( 0.000 3.941 -1.360) 4.169 9.627 ( 0.000 -3.502 -2.237) 4.156 9.652 ( 0.000 -2.513 3.363) 4.198 9.812 ( 0.000 0.455 -3.824) 3.851 9.843 ( 0.000 -1.072 -2.460) 2.684 9.895 ( 0.000 2.617 -2.892) 3.900 10.131 ( 0.000 -2.835 -4.784) 5.561 10.522 ( 0.000 2.138 1.312) 2.508 10.613 ( 0.000 2.404 -0.694) 2.502 10.831 ( 0.000 -8.659 4.208) 9.627 10.975 ( 0.000 -6.584 -0.583) 6.610 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 2.667 7.696 10.590) 13.360 1.294 ( 2.417 7.959 9.789) 12.846 1.349 ( 0.569 2.330 1.390) 2.773 1.436 ( -5.601 7.072 3.007) 9.510 1.490 ( -0.822 0.388 -3.125) 3.254 1.510 ( -0.434 1.359 0.845) 1.658 1.551 ( 0.123 5.344 0.034) 5.346 1.593 ( -1.799 0.061 1.572) 2.390 1.698 ( -1.334 6.915 -4.897) 8.577 1.848 ( -5.940 0.101 -4.711) 7.582 1.917 ( 2.283 1.880 1.746) 3.435 2.031 ( 3.681 1.115 -2.780) 4.745 2.067 ( -2.624 0.755 1.006) 2.910 2.193 ( 3.556 2.957 -1.992) 5.036 2.235 ( 0.356 -1.057 0.819) 1.384 2.278 ( 1.995 4.269 1.423) 4.923 2.375 ( 1.881 -0.155 -0.406) 1.930 2.384 ( 0.881 4.397 4.346) 6.245 2.455 ( 4.774 2.404 7.493) 9.204 2.532 ( -1.476 1.291 2.306) 3.027 2.570 ( -2.476 3.669 5.633) 7.164 2.821 ( 3.831 2.626 0.741) 4.704 2.964 ( -8.576 5.717 5.840) 11.846 3.065 ( -5.061 -2.854 -5.444) 7.962 3.199 ( 5.605 -3.796 1.731) 6.987 3.336 ( 0.015 4.719 -6.183) 7.778 3.372 ( -3.607 -6.384 -10.367) 12.698 3.591 ( -7.443 2.082 0.426) 7.741 3.759 ( 6.698 -0.252 -0.500) 6.722 3.836 ( 5.829 1.211 0.438) 5.969 4.001 ( -0.651 -5.183 -1.221) 5.364 4.067 ( -0.945 -2.604 -3.593) 4.537 4.589 ( 2.166 -2.432 -3.012) 4.437 4.626 ( 1.803 -5.291 -0.604) 5.623 4.734 ( -2.554 -7.516 2.842) 8.432 4.799 ( -1.836 -7.396 -0.689) 7.651 5.905 ( 0.576 4.179 -0.265) 4.227 5.921 ( 0.708 4.211 -0.814) 4.347 6.025 ( 0.727 0.341 1.561) 1.756 6.092 ( -1.948 -0.660 1.278) 2.422 6.223 ( 1.359 2.158 -1.806) 3.125 6.292 ( -0.595 1.330 -1.453) 2.058 6.328 ( -0.105 1.600 -0.121) 1.608 6.381 ( -0.019 6.749 -2.904) 7.347 6.404 ( -1.021 3.537 -3.817) 5.303 6.420 ( -0.325 2.165 -5.040) 5.495 6.471 ( 1.048 3.708 -4.413) 5.858 6.501 ( -0.106 1.798 -4.019) 4.405 6.542 ( -0.014 2.167 -3.221) 3.882 6.587 ( -1.344 0.022 -2.294) 2.659 6.651 ( 1.729 0.667 -2.107) 2.806 6.685 ( 0.007 0.523 -1.618) 1.700 6.759 ( 1.533 0.677 -0.581) 1.773 6.775 ( 1.512 0.057 -1.271) 1.976 6.902 ( -0.135 -0.660 1.231) 1.403 6.937 ( -0.650 0.157 0.366) 0.762 7.039 ( -0.318 1.860 2.961) 3.511 7.075 ( -0.530 -0.295 4.513) 4.553 7.177 ( -0.924 -2.011 1.818) 2.864 7.206 ( -1.615 -4.331 1.571) 4.882 7.227 ( -0.406 -0.967 3.667) 3.814 7.250 ( -0.559 0.552 2.640) 2.754 7.435 ( 3.200 -5.690 2.637) 7.041 7.515 ( -0.445 -6.983 -0.521) 7.017 7.824 ( 2.682 4.881 -0.834) 5.631 7.938 ( -2.378 3.352 0.246) 4.118 8.018 ( 1.257 3.613 0.265) 3.834 8.035 ( 0.534 1.523 -1.458) 2.175 8.733 ( -0.356 1.061 -3.083) 3.280 8.734 ( -0.453 4.112 -1.536) 4.413 8.832 ( 0.098 -1.130 -0.427) 1.212 8.887 ( -3.116 0.688 -1.658) 3.597 9.061 ( 2.893 8.803 -0.896) 9.310 9.095 ( 2.150 7.478 -1.696) 7.963 9.579 ( -2.499 -3.963 1.416) 4.894 9.630 ( -3.130 -4.124 0.809) 5.241 9.835 ( 2.287 0.960 -3.339) 4.159 9.890 ( 1.871 0.579 -5.228) 5.583 9.891 ( 1.747 0.250 -0.765) 1.923 10.086 ( -4.301 -2.582 -4.413) 6.681 10.542 ( 1.790 2.254 1.423) 3.211 10.605 ( -0.929 2.240 -0.068) 2.426 10.848 ( 1.876 -7.697 2.722) 8.376 10.952 ( -2.223 -6.558 -0.425) 6.937 ======================= Grid point 82 (33/60) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -7.415 5.297 7.374) 11.722 1.237 ( 7.415 5.297 7.374) 11.722 1.373 ( -2.454 6.169 6.025) 8.965 1.373 ( 2.454 6.169 6.025) 8.965 1.511 ( -2.813 0.720 0.203) 2.911 1.511 ( 2.813 0.720 0.203) 2.911 1.536 ( -2.166 2.732 -0.469) 3.518 1.536 ( 2.166 2.732 -0.469) 3.518 1.737 ( -4.985 2.152 -6.089) 8.158 1.737 ( 4.985 2.152 -6.089) 8.158 1.983 ( -4.170 2.139 0.325) 4.698 1.983 ( 4.170 2.139 0.325) 4.698 2.136 ( -5.252 -1.642 -1.803) 5.790 2.136 ( 5.252 -1.642 -1.803) 5.790 2.314 ( -3.222 2.337 0.518) 4.014 2.314 ( 3.222 2.337 0.518) 4.014 2.373 ( -5.682 4.105 -1.156) 7.104 2.373 ( 5.682 4.105 -1.156) 7.104 2.498 ( -1.863 -2.655 0.701) 3.318 2.498 ( 1.863 -2.655 0.701) 3.318 2.697 ( -12.747 12.422 15.598) 23.666 2.697 ( 12.747 12.422 15.598) 23.666 2.959 ( -5.493 0.424 -1.829) 5.805 2.959 ( 5.493 0.424 -1.829) 5.805 3.294 ( -3.661 -3.837 -0.807) 5.365 3.294 ( 3.661 -3.837 -0.807) 5.365 3.429 ( -8.215 0.262 -9.039) 12.217 3.429 ( 8.215 0.262 -9.039) 12.217 3.866 ( -3.475 -0.531 1.416) 3.790 3.866 ( 3.475 -0.531 1.416) 3.790 4.025 ( -3.253 -2.933 -3.858) 5.836 4.025 ( 3.253 -2.933 -3.858) 5.836 4.628 ( -2.161 -4.109 -4.321) 6.343 4.628 ( 2.161 -4.109 -4.321) 6.343 4.743 ( -3.426 -7.820 3.834) 9.359 4.743 ( 3.426 -7.820 3.834) 9.359 5.920 ( -0.721 4.357 -0.509) 4.446 5.920 ( 0.721 4.357 -0.509) 4.446 6.054 ( -2.024 -0.219 1.369) 2.453 6.054 ( 2.024 -0.219 1.369) 2.453 6.255 ( -2.101 2.363 -0.931) 3.296 6.255 ( 2.101 2.363 -0.931) 3.296 6.362 ( -2.183 0.949 -2.538) 3.479 6.362 ( 2.183 0.949 -2.538) 3.479 6.400 ( -0.926 5.216 -3.561) 6.383 6.400 ( 0.926 5.216 -3.561) 6.383 6.491 ( -1.061 2.606 -4.477) 5.288 6.491 ( 1.061 2.606 -4.477) 5.288 6.560 ( -1.506 1.319 -2.704) 3.365 6.560 ( 1.506 1.319 -2.704) 3.365 6.677 ( -0.953 1.305 -2.318) 2.826 6.677 ( 0.953 1.305 -2.318) 2.826 6.787 ( -0.703 0.092 -0.425) 0.827 6.787 ( 0.703 0.092 -0.425) 0.827 6.912 ( -1.401 -0.875 -0.067) 1.653 6.912 ( 1.401 -0.875 -0.067) 1.653 7.053 ( -1.475 0.490 3.860) 4.162 7.053 ( 1.475 0.490 3.860) 4.162 7.174 ( -1.067 -3.455 2.049) 4.156 7.174 ( 1.067 -3.455 2.049) 4.156 7.236 ( -0.834 0.699 3.738) 3.894 7.236 ( 0.834 0.699 3.738) 3.894 7.490 ( -2.248 -6.498 0.257) 6.881 7.490 ( 2.248 -6.498 0.257) 6.881 7.884 ( -3.268 4.036 0.105) 5.194 7.884 ( 3.268 4.036 0.105) 5.194 8.036 ( -0.536 2.242 -0.936) 2.488 8.036 ( 0.536 2.242 -0.936) 2.488 8.728 ( -0.023 2.909 -2.326) 3.725 8.728 ( 0.023 2.909 -2.326) 3.725 8.844 ( -1.357 -0.866 -1.495) 2.197 8.844 ( 1.357 -0.866 -1.495) 2.197 9.106 ( -1.302 9.676 -0.771) 9.794 9.106 ( 1.302 9.676 -0.771) 9.794 9.572 ( -1.951 -5.077 1.640) 5.681 9.572 ( 1.951 -5.077 1.640) 5.681 9.872 ( -1.419 1.409 -3.121) 3.707 9.872 ( 1.419 1.409 -3.121) 3.707 9.988 ( -5.629 -1.959 -3.734) 7.033 9.988 ( 5.629 -1.959 -3.734) 7.033 10.578 ( -1.801 2.297 1.052) 3.103 10.578 ( 1.801 2.297 1.052) 3.103 10.898 ( -3.146 -6.719 0.488) 7.435 10.898 ( 3.146 -6.719 0.488) 7.435 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.000 8.135 4.952) 9.524 1.383 ( 0.000 0.713 7.045) 7.081 1.417 ( 0.000 5.042 1.821) 5.361 1.446 ( 0.000 -1.804 -0.041) 1.805 1.479 ( 0.000 -1.674 2.526) 3.030 1.515 ( 0.000 -4.538 1.049) 4.658 1.648 ( 0.000 6.752 -0.163) 6.753 1.738 ( 0.000 3.290 5.730) 6.607 1.824 ( 0.000 -1.573 -3.236) 3.598 1.872 ( 0.000 2.347 -2.494) 3.424 1.923 ( 0.000 3.659 -3.561) 5.106 2.059 ( 0.000 -1.559 -3.532) 3.861 2.135 ( 0.000 -3.189 -0.852) 3.301 2.149 ( 0.000 0.345 1.270) 1.316 2.201 ( 0.000 5.411 -0.617) 5.446 2.282 ( 0.000 -2.779 -2.784) 3.933 2.334 ( 0.000 -0.202 -2.768) 2.776 2.370 ( 0.000 -3.709 -0.674) 3.770 2.543 ( 0.000 8.165 2.742) 8.613 2.595 ( 0.000 0.164 0.848) 0.864 2.687 ( 0.000 9.060 5.240) 10.466 2.876 ( 0.000 10.987 1.400) 11.076 2.884 ( 0.000 -11.606 -2.620) 11.898 3.065 ( 0.000 -5.511 -2.997) 6.274 3.214 ( 0.000 5.011 -5.970) 7.795 3.318 ( 0.000 -6.148 -12.091) 13.564 3.472 ( 0.000 4.859 -0.376) 4.874 3.561 ( 0.000 -6.940 8.440) 10.927 3.689 ( 0.000 4.494 7.655) 8.877 3.826 ( 0.000 -9.265 2.497) 9.596 3.962 ( 0.000 9.777 -4.970) 10.968 4.064 ( 0.000 -1.339 -2.422) 2.768 4.526 ( 0.000 -2.383 0.588) 2.454 4.528 ( 0.000 -3.594 -0.707) 3.663 4.655 ( 0.000 -1.111 3.379) 3.556 4.706 ( 0.000 -5.032 -0.265) 5.039 5.955 ( 0.000 1.930 -0.117) 1.934 5.967 ( 0.000 1.296 0.360) 1.345 6.040 ( 0.000 1.697 -0.081) 1.699 6.080 ( 0.000 -2.212 0.385) 2.246 6.240 ( 0.000 1.447 -2.205) 2.638 6.267 ( 0.000 -1.384 -1.857) 2.316 6.403 ( 0.000 1.891 -3.795) 4.240 6.418 ( 0.000 0.282 -6.022) 6.029 6.452 ( 0.000 1.344 -2.539) 2.873 6.470 ( 0.000 0.350 -2.723) 2.745 6.532 ( 0.000 2.291 -3.159) 3.902 6.566 ( 0.000 -0.319 -4.371) 4.382 6.589 ( 0.000 5.605 -0.927) 5.681 6.597 ( 0.000 -0.070 0.652) 0.655 6.621 ( 0.000 0.149 -0.731) 0.746 6.662 ( 0.000 -1.440 -0.051) 1.441 6.776 ( 0.000 1.463 -1.466) 2.071 6.788 ( 0.000 1.390 -3.042) 3.344 6.903 ( 0.000 0.764 2.906) 3.004 6.934 ( 0.000 -1.543 1.104) 1.898 7.057 ( 0.000 0.231 5.208) 5.213 7.101 ( 0.000 -3.689 3.262) 4.924 7.133 ( 0.000 2.954 1.086) 3.147 7.192 ( 0.000 -1.254 -0.460) 1.336 7.220 ( 0.000 0.316 2.768) 2.786 7.256 ( 0.000 -0.922 0.549) 1.073 7.333 ( 0.000 0.045 3.608) 3.609 7.397 ( 0.000 -5.510 -0.204) 5.514 7.910 ( 0.000 6.308 -2.349) 6.731 8.001 ( 0.000 -2.191 -3.648) 4.256 8.028 ( 0.000 1.664 1.111) 2.001 8.053 ( 0.000 0.442 0.072) 0.448 8.746 ( 0.000 1.133 -1.840) 2.161 8.771 ( 0.000 -0.970 -1.338) 1.653 8.856 ( 0.000 3.463 1.787) 3.897 8.919 ( 0.000 -2.546 0.502) 2.595 9.141 ( 0.000 3.396 -0.574) 3.445 9.152 ( 0.000 3.138 -1.671) 3.555 9.581 ( 0.000 -0.754 -2.683) 2.787 9.602 ( 0.000 -2.454 -0.377) 2.483 9.816 ( 0.000 0.221 -3.515) 3.522 9.825 ( 0.000 -0.751 -3.047) 3.138 9.963 ( 0.000 4.445 -4.035) 6.003 10.053 ( 0.000 -4.976 -4.517) 6.720 10.583 ( 0.000 4.476 2.018) 4.910 10.686 ( 0.000 -5.735 2.633) 6.311 10.703 ( 0.000 5.650 0.020) 5.650 10.839 ( 0.000 -7.701 -0.729) 7.735 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.689 6.734 4.938) 8.379 1.363 ( -0.964 -2.221 2.836) 3.729 1.394 ( -1.732 4.322 3.035) 5.558 1.466 ( -2.280 -1.061 1.388) 2.872 1.485 ( 2.451 0.009 1.793) 3.037 1.525 ( 1.702 -3.227 1.817) 4.076 1.617 ( -2.471 6.837 3.902) 8.251 1.666 ( -6.080 2.735 4.355) 7.963 1.819 ( -3.094 0.880 -4.793) 5.772 1.844 ( -0.346 1.588 -2.535) 3.011 1.881 ( -1.699 0.414 -3.338) 3.768 2.021 ( -4.776 -7.444 -2.754) 9.263 2.139 ( 3.698 7.308 -0.589) 8.212 2.206 ( 3.032 2.260 -1.621) 4.114 2.266 ( 5.113 0.193 0.459) 5.137 2.301 ( 1.446 -1.974 -2.838) 3.747 2.350 ( 1.537 0.675 -2.122) 2.706 2.387 ( 1.960 -2.325 -0.790) 3.142 2.526 ( -3.201 3.261 0.102) 4.571 2.555 ( -3.642 0.370 0.483) 3.693 2.737 ( 5.822 9.949 7.209) 13.595 2.908 ( 2.739 -7.344 -2.212) 8.144 2.942 ( 4.942 8.669 -0.897) 10.019 3.069 ( -5.553 0.834 -1.171) 5.736 3.186 ( 4.085 0.378 -1.988) 4.559 3.247 ( -4.496 -6.044 -8.144) 11.094 3.418 ( -5.407 4.340 0.155) 6.935 3.528 ( -5.139 -6.536 4.190) 9.310 3.773 ( 6.985 2.600 3.767) 8.351 3.859 ( 4.304 -5.201 0.292) 6.757 3.959 ( -1.088 6.045 -2.765) 6.736 4.044 ( -2.397 -1.823 -2.023) 3.628 4.536 ( 1.137 -2.498 -0.614) 2.813 4.550 ( 2.484 -3.158 0.807) 4.098 4.632 ( -2.305 -1.180 2.554) 3.637 4.680 ( -2.610 -5.125 0.558) 5.778 5.966 ( 1.111 2.388 -0.044) 2.634 5.984 ( 1.463 1.392 0.121) 2.023 6.031 ( -0.780 1.036 0.044) 1.298 6.066 ( -1.349 -1.955 0.495) 2.426 6.254 ( 1.421 1.544 -2.278) 3.097 6.284 ( 1.729 -1.513 -2.401) 3.324 6.353 ( -3.290 1.838 -3.164) 4.921 6.387 ( -2.987 -1.726 -4.323) 5.530 6.475 ( 1.732 2.711 -2.626) 4.153 6.492 ( 1.727 1.384 -3.557) 4.190 6.540 ( -0.218 2.045 -3.698) 4.232 6.556 ( -0.948 1.327 -4.004) 4.323 6.595 ( 0.430 2.220 -1.548) 2.740 6.599 ( -0.214 4.494 -0.328) 4.511 6.632 ( 1.962 -2.060 -0.362) 2.868 6.671 ( 0.459 -2.055 -0.626) 2.196 6.789 ( 1.406 1.724 -0.707) 2.334 6.802 ( 1.226 1.746 -2.035) 2.948 6.888 ( -1.375 -0.288 2.089) 2.517 6.916 ( -1.865 -2.251 0.659) 2.996 7.054 ( 0.064 0.893 4.617) 4.703 7.093 ( -0.327 -1.848 3.380) 3.866 7.112 ( -1.655 0.638 2.717) 3.245 7.158 ( -2.630 -2.559 1.200) 3.861 7.245 ( 2.242 3.007 2.143) 4.320 7.285 ( 1.162 1.908 0.009) 2.235 7.343 ( 1.253 -3.179 2.428) 4.192 7.394 ( -0.484 -5.743 -0.206) 5.767 7.928 ( 1.835 5.846 -1.854) 6.401 8.002 ( -0.699 2.085 -2.183) 3.099 8.023 ( 0.228 -1.514 0.093) 1.534 8.052 ( -0.267 -0.571 -0.414) 0.754 8.752 ( 0.691 1.419 -1.698) 2.319 8.777 ( 0.628 -0.359 -1.368) 1.548 8.827 ( -2.260 1.863 0.518) 2.975 8.873 ( -3.540 -2.065 -0.430) 4.121 9.197 ( 5.319 5.684 0.082) 7.785 9.226 ( 5.934 3.801 -1.081) 7.130 9.515 ( -5.488 -1.609 -0.555) 5.746 9.548 ( -5.183 -4.204 -0.658) 6.706 9.850 ( 2.862 0.745 -3.512) 4.592 9.867 ( 3.632 -1.101 -3.483) 5.151 9.946 ( -1.699 3.626 -3.930) 5.611 10.020 ( -3.205 -4.133 -4.256) 6.743 10.606 ( 2.128 4.663 1.570) 5.361 10.688 ( -1.371 6.190 -0.125) 6.341 10.713 ( 2.406 -6.605 2.010) 7.312 10.819 ( -2.003 -7.466 -0.509) 7.747 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -4.297 4.276 2.953) 6.743 1.325 ( 4.297 4.276 2.953) 6.743 1.392 ( -3.790 -2.535 2.345) 5.127 1.392 ( 3.790 -2.535 2.345) 5.127 1.550 ( -2.741 2.775 2.848) 4.830 1.550 ( 2.741 2.775 2.848) 4.830 1.579 ( -1.039 0.530 4.468) 4.618 1.579 ( 1.039 0.530 4.468) 4.618 1.797 ( -1.487 5.486 -5.520) 7.923 1.797 ( 1.487 5.486 -5.520) 7.923 1.928 ( -4.365 -7.074 -1.457) 8.439 1.928 ( 4.365 -7.074 -1.457) 8.439 2.212 ( -2.404 7.351 -1.828) 7.947 2.212 ( 2.404 7.351 -1.828) 7.947 2.316 ( -0.857 -2.838 -1.864) 3.502 2.316 ( 0.857 -2.838 -1.864) 3.502 2.434 ( -6.145 2.001 -0.807) 6.512 2.434 ( 6.145 2.001 -0.807) 6.512 2.458 ( -4.377 -1.268 0.153) 4.560 2.458 ( 4.377 -1.268 0.153) 4.560 2.889 ( -9.149 7.237 3.192) 12.094 2.889 ( 9.149 7.237 3.192) 12.094 2.977 ( -3.566 -1.223 -3.076) 4.865 2.977 ( 3.566 -1.223 -3.076) 4.865 3.249 ( -4.271 3.742 0.935) 5.755 3.249 ( 4.271 3.742 0.935) 5.755 3.386 ( -7.367 -6.630 -1.721) 10.059 3.386 ( 7.367 -6.630 -1.721) 10.059 3.896 ( -5.059 3.559 0.544) 6.209 3.896 ( 5.059 3.559 0.544) 6.209 3.968 ( -5.392 -3.453 -1.566) 6.592 3.968 ( 5.392 -3.453 -1.566) 6.592 4.574 ( -2.551 -0.746 -0.328) 2.678 4.574 ( 2.551 -0.746 -0.328) 2.678 4.617 ( -3.467 -5.105 2.132) 6.529 4.617 ( 3.467 -5.105 2.132) 6.529 5.991 ( -1.124 3.129 -0.148) 3.328 5.991 ( 1.124 3.129 -0.148) 3.328 6.035 ( -1.618 -1.675 0.464) 2.375 6.035 ( 1.618 -1.675 0.464) 2.375 6.292 ( -2.483 1.980 -2.525) 4.057 6.292 ( 2.483 1.980 -2.525) 4.057 6.331 ( -2.686 -2.144 -3.385) 4.824 6.331 ( 2.686 -2.144 -3.385) 4.824 6.507 ( -1.389 3.369 -2.562) 4.455 6.507 ( 1.389 3.369 -2.562) 4.455 6.533 ( -1.131 0.743 -3.961) 4.185 6.533 ( 1.131 0.743 -3.961) 4.185 6.600 ( -0.118 3.710 -1.541) 4.019 6.600 ( 0.118 3.710 -1.541) 4.019 6.666 ( -1.136 -2.433 -1.082) 2.894 6.666 ( 1.136 -2.433 -1.082) 2.894 6.816 ( -0.629 2.920 0.002) 2.987 6.816 ( 0.629 2.920 0.002) 2.987 6.876 ( -1.262 -2.986 0.375) 3.263 6.876 ( 1.262 -2.986 0.375) 3.263 7.071 ( -1.646 1.638 3.722) 4.387 7.071 ( 1.646 1.638 3.722) 4.387 7.114 ( -1.775 -2.863 3.008) 4.517 7.114 ( 1.775 -2.863 3.008) 4.517 7.281 ( -1.274 3.988 1.439) 4.427 7.281 ( 1.274 3.988 1.439) 4.427 7.374 ( -1.583 -5.799 0.105) 6.013 7.374 ( 1.583 -5.799 0.105) 6.013 7.970 ( -2.240 4.808 -0.913) 5.382 7.970 ( 2.240 4.808 -0.913) 5.382 8.040 ( -1.026 -2.082 -1.021) 2.536 8.040 ( 1.026 -2.082 -1.021) 2.536 8.774 ( -1.410 2.377 -1.182) 3.006 8.774 ( 1.410 2.377 -1.182) 3.006 8.817 ( -1.923 -2.061 -1.027) 3.001 8.817 ( 1.923 -2.061 -1.027) 3.001 9.292 ( -2.142 9.679 -0.535) 9.928 9.292 ( 2.142 9.679 -0.535) 9.928 9.454 ( -2.226 -7.600 0.556) 7.938 9.454 ( 2.226 -7.600 0.556) 7.938 9.903 ( -2.609 2.005 -3.558) 4.847 9.903 ( 2.609 2.005 -3.558) 4.847 9.945 ( -4.308 -2.417 -4.018) 6.367 9.945 ( 4.308 -2.417 -4.018) 6.367 10.651 ( -2.359 5.404 0.666) 5.934 10.651 ( 2.359 5.404 0.666) 5.934 10.769 ( -3.116 -6.958 0.349) 7.632 10.769 ( 3.116 -6.958 0.349) 7.632 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 0.000 0.496) 0.496 1.067 ( 0.000 0.000 3.732) 3.732 1.281 ( 0.000 0.000 14.803) 14.803 1.336 ( 0.000 0.000 -2.741) 2.741 1.400 ( 0.000 0.000 5.819) 5.819 1.438 ( 0.000 0.000 -4.047) 4.047 1.441 ( 0.000 0.000 4.365) 4.365 1.508 ( 0.000 0.000 -0.585) 0.585 1.730 ( 0.000 0.000 -4.800) 4.800 1.816 ( 0.000 0.000 -7.726) 7.726 1.884 ( 0.000 0.000 2.310) 2.310 1.904 ( 0.000 0.000 10.590) 10.590 2.022 ( 0.000 0.000 -2.317) 2.317 2.257 ( 0.000 0.000 -5.404) 5.404 2.265 ( 0.000 0.000 1.896) 1.896 2.270 ( 0.000 0.000 -0.703) 0.703 2.300 ( 0.000 0.000 0.742) 0.742 2.331 ( 0.000 0.000 -4.251) 4.251 2.615 ( 0.000 0.000 17.132) 17.132 2.749 ( 0.000 0.000 17.489) 17.489 2.759 ( 0.000 0.000 4.549) 4.549 2.893 ( 0.000 0.000 -6.915) 6.915 2.968 ( 0.000 0.000 -2.479) 2.479 3.028 ( 0.000 0.000 7.690) 7.690 3.176 ( 0.000 0.000 3.973) 3.973 3.367 ( 0.000 0.000 -7.455) 7.455 3.389 ( 0.000 0.000 -8.873) 8.873 3.557 ( 0.000 0.000 -5.502) 5.502 3.572 ( 0.000 0.000 9.590) 9.590 3.708 ( 0.000 0.000 8.803) 8.803 3.969 ( 0.000 0.000 -9.600) 9.600 4.172 ( 0.000 0.000 -2.758) 2.758 4.485 ( 0.000 0.000 -16.763) 16.763 4.494 ( 0.000 0.000 -7.890) 7.890 4.930 ( 0.000 0.000 4.617) 4.617 5.049 ( 0.000 0.000 0.181) 0.181 5.756 ( 0.000 0.000 -0.686) 0.686 5.768 ( 0.000 0.000 -1.493) 1.493 5.986 ( 0.000 0.000 3.025) 3.025 6.104 ( 0.000 0.000 -1.426) 1.426 6.114 ( 0.000 0.000 3.924) 3.924 6.204 ( 0.000 0.000 -1.822) 1.822 6.239 ( 0.000 0.000 0.585) 0.585 6.246 ( 0.000 0.000 0.189) 0.189 6.309 ( 0.000 0.000 -3.142) 3.142 6.334 ( 0.000 0.000 -2.055) 2.055 6.382 ( 0.000 0.000 0.609) 0.609 6.427 ( 0.000 0.000 -1.985) 1.985 6.446 ( 0.000 0.000 -0.617) 0.617 6.480 ( 0.000 0.000 -2.127) 2.127 6.533 ( 0.000 0.000 -4.586) 4.586 6.605 ( 0.000 0.000 -5.462) 5.462 6.756 ( 0.000 0.000 1.845) 1.845 6.808 ( 0.000 0.000 0.454) 0.454 6.919 ( 0.000 0.000 0.370) 0.370 6.929 ( 0.000 0.000 0.315) 0.315 7.068 ( 0.000 0.000 5.032) 5.032 7.202 ( 0.000 0.000 2.028) 2.028 7.247 ( 0.000 0.000 -0.622) 0.622 7.310 ( 0.000 0.000 3.106) 3.106 7.311 ( 0.000 0.000 2.608) 2.608 7.328 ( 0.000 0.000 -1.943) 1.943 7.698 ( 0.000 0.000 2.801) 2.801 7.736 ( 0.000 0.000 0.268) 0.268 7.739 ( 0.000 0.000 3.097) 3.097 7.840 ( 0.000 0.000 -2.260) 2.260 7.850 ( 0.000 0.000 0.902) 0.902 7.934 ( 0.000 0.000 -2.448) 2.448 8.503 ( 0.000 0.000 3.245) 3.245 8.656 ( 0.000 0.000 -4.039) 4.039 8.798 ( 0.000 0.000 1.332) 1.332 8.862 ( 0.000 0.000 -0.341) 0.341 8.873 ( 0.000 0.000 -2.061) 2.061 8.897 ( 0.000 0.000 -2.670) 2.670 9.695 ( 0.000 0.000 -0.263) 0.263 9.745 ( 0.000 0.000 -2.097) 2.097 9.755 ( 0.000 0.000 0.007) 0.007 9.813 ( 0.000 0.000 -2.878) 2.878 9.900 ( 0.000 0.000 4.938) 4.938 10.089 ( 0.000 0.000 -3.357) 3.357 10.506 ( 0.000 0.000 0.480) 0.480 10.547 ( 0.000 0.000 -2.499) 2.499 11.091 ( 0.000 0.000 -0.130) 0.130 11.103 ( 0.000 0.000 -0.577) 0.577 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -1.042 0.000 2.697) 2.892 1.069 ( -1.430 0.000 0.042) 1.431 1.301 ( 2.006 0.000 11.977) 12.144 1.344 ( 1.329 0.000 -2.939) 3.225 1.415 ( -1.270 0.000 -5.522) 5.666 1.450 ( -3.398 0.000 4.458) 5.606 1.482 ( 6.447 0.000 7.772) 10.098 1.493 ( 3.515 0.000 -0.883) 3.624 1.720 ( -2.506 0.000 1.518) 2.930 1.775 ( -7.016 0.000 -5.548) 8.944 1.887 ( 4.431 0.000 0.061) 4.431 1.918 ( 2.855 0.000 3.803) 4.755 2.068 ( 0.942 0.000 -3.802) 3.917 2.166 ( -6.972 0.000 -4.168) 8.123 2.275 ( 2.923 0.000 1.808) 3.438 2.287 ( 1.885 0.000 2.178) 2.880 2.329 ( 0.771 0.000 0.513) 0.926 2.382 ( 3.380 0.000 -2.508) 4.209 2.614 ( -0.321 0.000 9.800) 9.805 2.675 ( -5.005 0.000 11.238) 12.302 2.732 ( -1.754 0.000 9.392) 9.555 2.898 ( -3.224 0.000 -2.502) 4.081 2.968 ( 2.156 0.000 0.879) 2.328 3.061 ( 3.436 0.000 6.839) 7.654 3.110 ( -4.961 0.000 4.189) 6.493 3.284 ( -7.482 0.000 -0.393) 7.493 3.440 ( 5.096 0.000 -4.314) 6.677 3.529 ( -1.283 0.000 -2.072) 2.437 3.684 ( 8.238 0.000 0.664) 8.265 3.793 ( 6.944 0.000 1.766) 7.165 3.933 ( -3.716 0.000 -8.480) 9.258 4.085 ( -7.517 0.000 -2.804) 8.023 4.478 ( 0.083 0.000 -12.890) 12.891 4.509 ( -0.059 0.000 -12.393) 12.393 4.965 ( 3.399 0.000 4.174) 5.383 5.055 ( 0.032 0.000 0.895) 0.895 5.763 ( 0.577 0.000 -0.755) 0.950 5.771 ( 0.269 0.000 -1.366) 1.392 6.003 ( 1.798 0.000 2.858) 3.377 6.091 ( -1.767 0.000 2.512) 3.071 6.119 ( 1.075 0.000 -0.092) 1.079 6.189 ( -1.576 0.000 -1.469) 2.154 6.234 ( -0.100 0.000 0.620) 0.628 6.244 ( -0.204 0.000 0.183) 0.274 6.320 ( 0.703 0.000 -3.498) 3.568 6.339 ( 0.151 0.000 -3.212) 3.216 6.384 ( 0.264 0.000 0.329) 0.422 6.413 ( -1.110 0.000 -1.270) 1.687 6.467 ( 2.323 0.000 0.389) 2.355 6.494 ( 1.056 0.000 -2.983) 3.164 6.528 ( -0.547 0.000 -4.452) 4.485 6.579 ( -2.424 0.000 -2.618) 3.568 6.770 ( 1.313 0.000 0.021) 1.313 6.807 ( -0.203 0.000 -0.085) 0.220 6.919 ( 0.061 0.000 0.392) 0.397 6.927 ( -0.258 0.000 0.330) 0.419 7.088 ( 2.010 0.000 4.763) 5.170 7.188 ( -1.759 0.000 3.350) 3.784 7.248 ( 0.581 0.000 -1.511) 1.618 7.309 ( -0.029 0.000 3.015) 3.015 7.311 ( -0.076 0.000 2.694) 2.695 7.312 ( -1.647 0.000 -1.909) 2.522 7.710 ( 1.158 0.000 2.315) 2.589 7.742 ( 0.290 0.000 0.550) 0.622 7.752 ( 1.312 0.000 2.508) 2.830 7.822 ( -1.663 0.000 -1.202) 2.051 7.865 ( 1.509 0.000 -0.198) 1.522 7.926 ( -0.833 0.000 -2.508) 2.643 8.525 ( 2.172 0.000 2.213) 3.101 8.630 ( -2.416 0.000 -2.474) 3.458 8.815 ( 1.534 0.000 0.172) 1.543 8.865 ( 0.406 0.000 -0.552) 0.685 8.865 ( -0.744 0.000 -1.837) 1.982 8.892 ( -0.561 0.000 -2.250) 2.319 9.682 ( -0.832 0.000 0.187) 0.853 9.714 ( -2.378 0.000 -1.225) 2.675 9.768 ( 1.141 0.000 -0.732) 1.356 9.807 ( -0.695 0.000 -2.700) 2.788 9.943 ( 3.589 0.000 2.843) 4.579 10.066 ( -2.265 0.000 -2.315) 3.239 10.529 ( 2.135 0.000 0.665) 2.236 10.565 ( 1.263 0.000 -1.726) 2.139 11.066 ( -1.944 0.000 0.110) 1.947 11.082 ( -1.945 0.000 -0.672) 2.057 ======================= Grid point 107 (39/60) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -1.864 0.000 0.903) 2.071 1.030 ( 1.864 0.000 0.903) 2.071 1.361 ( -4.415 0.000 6.293) 7.687 1.361 ( 4.415 0.000 6.293) 7.687 1.380 ( -2.134 0.000 -4.569) 5.042 1.380 ( 2.134 0.000 -4.569) 5.043 1.618 ( -8.355 0.000 -1.482) 8.485 1.618 ( 8.355 0.000 -1.482) 8.485 1.621 ( -7.161 0.000 7.359) 10.269 1.621 ( 7.161 0.000 7.359) 10.269 2.001 ( -6.351 0.000 -3.170) 7.099 2.001 ( 6.351 0.000 -3.170) 7.099 2.024 ( -7.408 0.000 -2.800) 7.919 2.024 ( 7.408 0.000 -2.800) 7.919 2.321 ( -1.399 0.000 1.851) 2.320 2.321 ( 1.399 0.000 1.851) 2.320 2.380 ( -5.023 0.000 2.264) 5.510 2.380 ( 5.023 0.000 2.264) 5.510 2.603 ( -2.157 0.000 3.739) 4.316 2.603 ( 2.157 0.000 3.739) 4.316 2.787 ( -6.575 0.000 8.589) 10.817 2.787 ( 6.575 0.000 8.589) 10.817 3.027 ( -3.626 0.000 3.134) 4.793 3.027 ( 3.626 0.000 3.134) 4.793 3.153 ( -6.096 0.000 4.399) 7.518 3.153 ( 6.096 0.000 4.399) 7.518 3.508 ( -1.839 0.000 -2.302) 2.947 3.508 ( 1.839 0.000 -2.302) 2.947 3.831 ( -6.850 0.000 -5.171) 8.582 3.831 ( 6.850 0.000 -5.171) 8.582 3.935 ( -7.806 0.000 -2.298) 8.137 3.935 ( 7.806 0.000 -2.298) 8.137 4.491 ( -1.228 0.000 -12.802) 12.861 4.491 ( 1.228 0.000 -12.802) 12.861 5.031 ( -2.723 0.000 2.547) 3.728 5.031 ( 2.723 0.000 2.547) 3.728 5.772 ( -0.277 0.000 -1.031) 1.067 5.772 ( 0.277 0.000 -1.031) 1.067 6.047 ( -2.588 0.000 2.765) 3.787 6.047 ( 2.588 0.000 2.765) 3.787 6.151 ( -2.105 0.000 -0.801) 2.252 6.151 ( 2.105 0.000 -0.801) 2.252 6.238 ( -0.355 0.000 0.320) 0.478 6.238 ( 0.355 0.000 0.320) 0.478 6.333 ( -0.638 0.000 -3.737) 3.791 6.333 ( 0.638 0.000 -3.737) 3.791 6.394 ( -0.784 0.000 -0.396) 0.879 6.394 ( 0.784 0.000 -0.396) 0.879 6.513 ( -0.947 0.000 -3.941) 4.053 6.513 ( 0.947 0.000 -3.941) 4.053 6.524 ( -3.210 0.000 0.216) 3.217 6.524 ( 3.210 0.000 0.216) 3.217 6.796 ( -1.081 0.000 -0.897) 1.404 6.796 ( 1.081 0.000 -0.897) 1.404 6.922 ( -0.219 0.000 0.380) 0.438 6.922 ( 0.219 0.000 0.380) 0.438 7.139 ( -3.061 0.000 4.149) 5.156 7.139 ( 3.061 0.000 4.149) 5.156 7.274 ( -2.014 0.000 -1.686) 2.626 7.274 ( 2.014 0.000 -1.686) 2.626 7.309 ( -0.039 0.000 2.852) 2.852 7.309 ( 0.039 0.000 2.852) 2.852 7.734 ( -1.097 0.000 1.421) 1.796 7.734 ( 1.097 0.000 1.421) 1.796 7.785 ( -2.039 0.000 0.874) 2.219 7.785 ( 2.039 0.000 0.874) 2.219 7.900 ( -1.852 0.000 -2.031) 2.748 7.900 ( 1.852 0.000 -2.031) 2.748 8.577 ( -2.982 0.000 -0.021) 2.982 8.577 ( 2.982 0.000 -0.021) 2.982 8.845 ( -1.405 0.000 -1.131) 1.804 8.845 ( 1.405 0.000 -1.131) 1.804 8.878 ( -0.830 0.000 -1.288) 1.532 8.878 ( 0.830 0.000 -1.288) 1.532 9.680 ( -0.880 0.000 -0.180) 0.899 9.680 ( 0.880 0.000 -0.180) 0.899 9.789 ( -1.093 0.000 -2.003) 2.282 9.789 ( 1.093 0.000 -2.003) 2.282 10.011 ( -3.357 0.000 0.032) 3.357 10.011 ( 3.357 0.000 0.032) 3.357 10.567 ( -1.290 0.000 0.097) 1.293 10.567 ( 1.290 0.000 0.097) 1.293 11.050 ( -0.716 0.000 -0.348) 0.796 11.050 ( 0.716 0.000 -0.348) 0.796 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 0.000 9.911 1.215) 9.985 1.244 ( 0.000 15.601 2.606) 15.817 1.304 ( 0.000 3.590 12.607) 13.109 1.393 ( 0.000 5.045 -1.740) 5.337 1.405 ( 0.000 0.509 4.817) 4.844 1.455 ( 0.000 3.238 4.311) 5.391 1.461 ( 0.000 2.088 -1.732) 2.713 1.531 ( 0.000 2.926 -1.617) 3.343 1.754 ( 0.000 -4.785 0.227) 4.790 1.786 ( 0.000 5.239 -4.360) 6.816 1.880 ( 0.000 -0.027 0.398) 0.399 1.979 ( 0.000 5.911 4.190) 7.245 1.996 ( 0.000 -2.763 -1.457) 3.124 2.219 ( 0.000 -3.754 1.155) 3.928 2.250 ( 0.000 -0.947 -4.349) 4.451 2.256 ( 0.000 -1.045 -0.086) 1.049 2.323 ( 0.000 -0.866 -4.074) 4.165 2.338 ( 0.000 3.153 -0.047) 3.153 2.621 ( 0.000 -2.723 5.354) 6.006 2.719 ( 0.000 -4.276 3.195) 5.337 2.741 ( 0.000 0.189 20.786) 20.787 2.844 ( 0.000 -3.368 2.952) 4.479 2.881 ( 0.000 -1.408 -8.607) 8.721 3.129 ( 0.000 2.307 0.577) 2.378 3.267 ( 0.000 -6.538 -5.342) 8.443 3.267 ( 0.000 9.317 9.768) 13.499 3.320 ( 0.000 -6.326 -6.703) 9.217 3.525 ( 0.000 -1.995 3.736) 4.235 3.644 ( 0.000 5.414 -6.693) 8.608 3.789 ( 0.000 6.066 10.176) 11.847 3.988 ( 0.000 1.773 -6.556) 6.791 4.137 ( 0.000 -4.169 -3.024) 5.150 4.470 ( 0.000 -1.335 -14.703) 14.764 4.488 ( 0.000 -0.488 -6.979) 6.996 4.895 ( 0.000 -3.467 3.883) 5.206 4.986 ( 0.000 -6.378 0.648) 6.411 5.803 ( 0.000 4.468 -0.411) 4.487 5.815 ( 0.000 4.321 -1.064) 4.450 6.058 ( 0.000 4.847 2.903) 5.650 6.110 ( 0.000 1.791 2.313) 2.925 6.145 ( 0.000 0.850 -0.417) 0.947 6.206 ( 0.000 4.484 -2.764) 5.267 6.254 ( 0.000 0.831 -0.046) 0.832 6.274 ( 0.000 2.356 0.114) 2.359 6.319 ( 0.000 1.108 -2.967) 3.168 6.328 ( 0.000 -0.460 -1.369) 1.444 6.394 ( 0.000 1.096 1.230) 1.647 6.411 ( 0.000 -1.350 -2.438) 2.787 6.442 ( 0.000 1.377 -2.620) 2.960 6.536 ( 0.000 3.765 -1.035) 3.905 6.547 ( 0.000 1.465 -4.432) 4.667 6.607 ( 0.000 0.486 -4.225) 4.253 6.748 ( 0.000 -0.698 1.248) 1.430 6.786 ( 0.000 -2.112 0.385) 2.147 6.931 ( 0.000 1.009 0.733) 1.247 6.939 ( 0.000 0.908 0.391) 0.989 7.065 ( 0.000 0.016 4.238) 4.238 7.185 ( 0.000 -1.673 1.361) 2.156 7.231 ( 0.000 -1.436 0.340) 1.476 7.298 ( 0.000 -1.796 0.868) 1.994 7.304 ( 0.000 -0.741 2.327) 2.442 7.309 ( 0.000 -1.649 -0.094) 1.651 7.614 ( 0.000 -6.763 2.348) 7.159 7.640 ( 0.000 -7.036 -0.253) 7.041 7.758 ( 0.000 0.715 3.940) 4.004 7.906 ( 0.000 5.668 0.356) 5.679 7.921 ( 0.000 2.428 -0.770) 2.547 7.933 ( 0.000 2.973 -3.200) 4.368 8.588 ( 0.000 7.343 0.821) 7.389 8.665 ( 0.000 0.907 -3.092) 3.223 8.831 ( 0.000 2.155 0.684) 2.261 8.876 ( 0.000 3.040 0.682) 3.116 8.880 ( 0.000 1.239 -1.680) 2.088 8.944 ( 0.000 4.259 -2.548) 4.963 9.667 ( 0.000 -2.867 -0.315) 2.884 9.721 ( 0.000 -2.561 -2.409) 3.515 9.761 ( 0.000 0.680 -0.161) 0.699 9.806 ( 0.000 -0.680 -2.770) 2.853 9.890 ( 0.000 -1.046 4.155) 4.285 10.077 ( 0.000 -1.410 -3.971) 4.214 10.514 ( 0.000 0.998 0.683) 1.209 10.554 ( 0.000 0.949 -1.906) 2.129 11.032 ( 0.000 -5.995 0.847) 6.055 11.063 ( 0.000 -4.217 -0.789) 4.290 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.25 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -0.177 12.503 2.628) 12.777 1.234 ( -1.752 14.542 0.123) 14.648 1.311 ( 0.917 1.825 9.210) 9.434 1.397 ( 0.221 4.362 -1.581) 4.645 1.420 ( -0.277 0.118 0.562) 0.638 1.474 ( 1.540 3.392 3.929) 5.414 1.496 ( 0.053 1.188 -1.813) 2.169 1.508 ( 4.504 2.918 4.274) 6.861 1.727 ( -3.881 -0.728 2.313) 4.576 1.788 ( -7.174 1.115 -0.902) 7.316 1.819 ( 3.509 -1.135 -1.260) 3.897 1.999 ( 3.363 3.229 -0.656) 4.708 2.038 ( -1.423 -1.612 -2.289) 3.140 2.144 ( -3.557 -2.266 -4.271) 6.002 2.275 ( 2.184 -0.627 1.353) 2.645 2.277 ( 2.758 -0.370 1.917) 3.379 2.342 ( 1.536 1.122 -0.813) 2.069 2.381 ( 1.873 0.238 -1.467) 2.391 2.607 ( -1.829 -2.477 4.087) 5.118 2.648 ( -4.519 -3.136 6.685) 8.657 2.745 ( 0.939 1.962 11.668) 11.869 2.853 ( -0.060 -2.577 -0.222) 2.587 2.926 ( 3.052 -0.897 -0.942) 3.317 3.065 ( -4.569 -2.140 0.127) 5.047 3.224 ( -2.499 6.288 8.362) 10.756 3.254 ( -1.623 0.420 -0.885) 1.895 3.388 ( 3.977 -6.059 -1.757) 7.457 3.475 ( -1.894 -0.696 -0.817) 2.177 3.759 ( 8.190 3.552 -5.000) 10.232 3.813 ( 2.740 3.072 6.587) 7.767 3.962 ( -2.757 2.267 -6.024) 7.002 4.057 ( -6.793 -3.024 -3.116) 8.062 4.469 ( 0.258 -0.862 -12.598) 12.630 4.502 ( 0.171 -0.459 -9.844) 9.856 4.917 ( 2.475 -4.826 4.038) 6.762 4.993 ( 0.083 -6.255 1.249) 6.379 5.811 ( 0.695 4.499 -0.421) 4.571 5.821 ( 0.439 4.527 -0.995) 4.655 6.064 ( 0.647 3.430 2.821) 4.488 6.100 ( -0.838 1.379 2.156) 2.693 6.154 ( 0.783 2.124 -0.608) 2.344 6.195 ( -1.058 4.596 -2.156) 5.186 6.250 ( -0.118 1.015 0.006) 1.022 6.268 ( -0.504 2.627 0.151) 2.679 6.322 ( 0.192 -0.014 -2.839) 2.845 6.336 ( 0.198 -0.225 -3.169) 3.183 6.394 ( 0.177 0.881 0.685) 1.130 6.410 ( -0.088 -0.056 -1.688) 1.691 6.457 ( 1.753 0.754 -1.606) 2.494 6.535 ( -0.763 1.658 -2.158) 2.826 6.548 ( 0.450 2.833 -3.108) 4.229 6.588 ( -1.467 1.325 -2.818) 3.443 6.766 ( 1.512 -0.353 -0.025) 1.553 6.791 ( 0.354 -1.560 0.020) 1.600 6.927 ( -0.346 0.513 0.660) 0.905 6.933 ( -0.581 0.583 0.284) 0.871 7.083 ( 1.834 -0.208 4.142) 4.535 7.175 ( -1.499 -1.359 2.837) 3.484 7.228 ( 0.285 -1.798 -0.606) 1.918 7.285 ( -1.442 -2.431 -0.412) 2.856 7.304 ( -0.059 -0.714 2.161) 2.277 7.305 ( -0.209 -0.871 1.712) 1.932 7.609 ( 0.118 -7.329 1.539) 7.489 7.639 ( -0.422 -6.777 -0.406) 6.802 7.795 ( 3.147 1.121 3.438) 4.794 7.895 ( -1.299 2.783 0.320) 3.088 7.922 ( 0.420 5.717 -0.828) 5.792 7.940 ( 0.418 2.910 -2.736) 4.016 8.595 ( 0.730 6.085 0.250) 6.134 8.649 ( -1.500 1.849 -2.370) 3.359 8.826 ( -0.278 0.681 -0.168) 0.755 8.847 ( -1.331 -0.255 -0.994) 1.681 8.917 ( 2.007 5.049 -0.208) 5.437 8.950 ( 0.347 5.345 -1.785) 5.646 9.656 ( -0.735 -2.779 0.043) 2.875 9.691 ( -2.365 -2.502 -1.409) 3.720 9.772 ( 1.028 0.585 -1.048) 1.580 9.804 ( -0.383 -0.261 -2.845) 2.882 9.928 ( 3.347 -1.559 2.594) 4.512 10.052 ( -2.403 -1.496 -2.746) 3.943 10.536 ( 1.932 0.863 0.735) 2.240 10.567 ( 0.942 0.458 -1.277) 1.651 11.014 ( -1.294 -5.287 0.700) 5.488 11.042 ( -1.921 -4.160 -0.777) 4.647 ======================= Grid point 112 (42/60) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -2.051 14.143 1.288) 14.348 1.192 ( 2.051 14.143 1.288) 14.348 1.353 ( -3.461 -0.162 3.426) 4.873 1.353 ( 3.461 -0.162 3.426) 4.873 1.436 ( -1.846 4.735 -1.677) 5.352 1.436 ( 1.846 4.735 -1.677) 5.352 1.615 ( -7.229 0.766 -0.141) 7.270 1.615 ( 7.229 0.766 -0.141) 7.270 1.631 ( -8.098 0.140 7.058) 10.743 1.631 ( 8.098 0.140 7.058) 10.743 1.928 ( -7.088 -2.693 -2.182) 7.890 1.928 ( 7.088 -2.693 -2.182) 7.890 2.082 ( -4.352 1.318 -5.945) 7.485 2.082 ( 4.352 1.318 -5.945) 7.485 2.326 ( -2.490 0.903 2.409) 3.581 2.326 ( 2.490 0.903 2.409) 3.581 2.368 ( -4.409 -1.005 2.150) 5.007 2.368 ( 4.409 -1.005 2.150) 5.007 2.585 ( -1.666 -1.945 3.750) 4.541 2.585 ( 1.666 -1.945 3.750) 4.541 2.806 ( -4.378 1.367 2.690) 5.317 2.806 ( 4.378 1.367 2.690) 5.317 2.987 ( -3.737 -2.278 4.121) 6.011 2.987 ( 3.737 -2.278 4.121) 6.011 3.216 ( -1.650 4.112 3.108) 5.412 3.216 ( 1.650 4.112 3.108) 5.412 3.445 ( -2.159 -4.078 -0.116) 4.616 3.445 ( 2.159 -4.078 -0.116) 4.616 3.878 ( -3.394 2.919 -0.858) 4.558 3.878 ( 3.394 2.919 -0.858) 4.558 3.925 ( -5.933 -0.604 -5.057) 7.819 3.925 ( 5.933 -0.604 -5.057) 7.819 4.485 ( -1.340 -0.412 -11.245) 11.332 4.485 ( 1.340 -0.412 -11.245) 11.332 4.971 ( -2.441 -6.051 2.805) 7.103 4.971 ( 2.441 -6.051 2.805) 7.103 5.823 ( -0.365 4.641 -0.658) 4.702 5.823 ( 0.365 4.641 -0.658) 4.702 6.081 ( -1.088 1.520 2.372) 3.020 6.081 ( 1.088 1.520 2.372) 3.020 6.172 ( -1.185 3.906 -1.252) 4.270 6.172 ( 1.185 3.906 -1.252) 4.270 6.256 ( -0.655 2.058 0.136) 2.164 6.256 ( 0.655 2.058 0.136) 2.164 6.329 ( -0.569 -0.436 -3.451) 3.525 6.329 ( 0.569 -0.436 -3.451) 3.525 6.403 ( -0.621 0.883 -0.584) 1.228 6.403 ( 0.621 0.883 -0.584) 1.228 6.502 ( -2.449 0.168 -1.427) 2.840 6.502 ( 2.449 0.168 -1.427) 2.840 6.564 ( -1.075 2.930 -2.500) 3.999 6.564 ( 1.075 2.930 -2.500) 3.999 6.790 ( -0.698 -0.483 -0.586) 1.031 6.790 ( 0.698 -0.483 -0.586) 1.031 6.924 ( -0.185 0.073 0.378) 0.427 6.924 ( 0.185 0.073 0.378) 0.427 7.129 ( -2.831 -0.769 3.779) 4.784 7.129 ( 2.831 -0.769 3.779) 4.784 7.250 ( -1.826 -2.283 -0.713) 3.009 7.250 ( 1.826 -2.283 -0.713) 3.009 7.303 ( -0.022 -0.679 2.252) 2.352 7.303 ( 0.022 -0.679 2.252) 2.352 7.623 ( -1.098 -7.298 0.166) 7.382 7.623 ( 1.098 -7.298 0.166) 7.382 7.855 ( -2.848 2.288 1.925) 4.129 7.855 ( 2.848 2.288 1.925) 4.129 7.937 ( -0.767 4.449 -1.973) 4.927 7.937 ( 0.767 4.449 -1.973) 4.927 8.617 ( -1.616 3.758 -0.989) 4.209 8.617 ( 1.616 3.758 -0.989) 4.209 8.828 ( -0.587 -0.758 -1.057) 1.428 8.828 ( 0.587 -0.758 -1.057) 1.428 8.946 ( -0.929 6.282 -0.649) 6.383 8.946 ( 0.929 6.282 -0.649) 6.383 9.656 ( -0.985 -2.657 -0.318) 2.851 9.656 ( 0.985 -2.657 -0.318) 2.851 9.792 ( -0.902 0.292 -2.272) 2.462 9.792 ( 0.902 0.292 -2.272) 2.462 9.995 ( -3.472 -1.727 -0.124) 3.880 9.995 ( 3.472 -1.727 -0.124) 3.880 10.569 ( -1.022 0.338 0.209) 1.096 10.569 ( 1.022 0.338 0.209) 1.096 11.008 ( -1.023 -4.321 -0.223) 4.446 11.008 ( 1.023 -4.321 -0.223) 4.446 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.000 3.211 4.759) 5.741 1.404 ( 0.000 5.164 7.230) 8.885 1.425 ( 0.000 2.005 2.717) 3.376 1.446 ( 0.000 2.522 -2.002) 3.220 1.483 ( 0.000 4.274 -0.170) 4.278 1.521 ( 0.000 4.790 2.418) 5.366 1.619 ( 0.000 11.141 2.041) 11.327 1.649 ( 0.000 3.069 -1.252) 3.315 1.673 ( 0.000 2.791 3.493) 4.471 1.894 ( 0.000 1.498 -0.120) 1.503 1.895 ( 0.000 4.155 -3.536) 5.456 1.929 ( 0.000 -2.533 -1.065) 2.748 2.091 ( 0.000 5.619 1.032) 5.713 2.167 ( 0.000 -0.892 1.223) 1.514 2.201 ( 0.000 -3.931 -0.417) 3.953 2.239 ( 0.000 -0.776 -3.763) 3.842 2.300 ( 0.000 -1.504 -3.423) 3.739 2.416 ( 0.000 5.229 -2.084) 5.629 2.514 ( 0.000 -6.791 2.174) 7.130 2.626 ( 0.000 -4.228 -0.452) 4.252 2.707 ( 0.000 -3.156 4.193) 5.248 2.834 ( 0.000 -3.923 -9.841) 10.594 2.888 ( 0.000 4.877 6.528) 8.148 3.165 ( 0.000 -6.917 -0.975) 6.985 3.172 ( 0.000 2.804 11.192) 11.538 3.213 ( 0.000 -1.965 -4.828) 5.213 3.390 ( 0.000 3.906 3.954) 5.558 3.583 ( 0.000 8.195 -1.866) 8.405 3.710 ( 0.000 1.380 -3.839) 4.080 3.885 ( 0.000 3.795 8.692) 9.484 4.003 ( 0.000 -6.590 -4.778) 8.140 4.024 ( 0.000 -1.768 -0.977) 2.020 4.449 ( 0.000 -0.579 -9.168) 9.186 4.490 ( 0.000 1.030 -4.697) 4.808 4.817 ( 0.000 -4.536 2.298) 5.085 4.838 ( 0.000 -8.665 1.746) 8.839 5.898 ( 0.000 4.128 -0.208) 4.134 5.898 ( 0.000 5.215 -0.244) 5.220 6.057 ( 0.000 -1.439 2.001) 2.465 6.121 ( 0.000 -1.992 -0.536) 2.063 6.208 ( 0.000 2.852 2.014) 3.492 6.274 ( 0.000 -0.787 -0.757) 1.092 6.292 ( 0.000 2.792 -2.878) 4.010 6.309 ( 0.000 0.460 -2.887) 2.924 6.359 ( 0.000 4.351 -1.924) 4.758 6.390 ( 0.000 6.199 -3.154) 6.955 6.424 ( 0.000 1.958 0.380) 1.994 6.432 ( 0.000 6.345 1.271) 6.471 6.471 ( 0.000 1.596 -3.303) 3.668 6.582 ( 0.000 2.154 -2.776) 3.514 6.598 ( 0.000 2.573 -0.199) 2.581 6.632 ( 0.000 2.170 -2.549) 3.347 6.737 ( 0.000 -0.348 -0.254) 0.431 6.739 ( 0.000 -2.594 0.183) 2.601 6.946 ( 0.000 0.454 1.436) 1.506 6.954 ( 0.000 0.336 0.375) 0.503 7.083 ( 0.000 2.016 1.965) 2.816 7.150 ( 0.000 -1.790 1.041) 2.070 7.205 ( 0.000 -1.135 0.707) 1.337 7.241 ( 0.000 -3.813 0.255) 3.822 7.281 ( 0.000 -1.620 1.524) 2.224 7.282 ( 0.000 -1.277 1.283) 1.811 7.484 ( 0.000 -6.493 2.750) 7.051 7.509 ( 0.000 -6.715 0.077) 6.716 7.789 ( 0.000 2.906 1.197) 3.143 7.923 ( 0.000 0.257 -3.609) 3.618 8.013 ( 0.000 4.665 0.358) 4.679 8.016 ( 0.000 3.177 -0.055) 3.177 8.687 ( 0.000 1.425 -1.469) 2.047 8.707 ( 0.000 4.266 -1.737) 4.606 8.850 ( 0.000 1.159 1.261) 1.713 8.911 ( 0.000 1.626 -1.446) 2.175 8.999 ( 0.000 8.466 0.278) 8.471 9.038 ( 0.000 5.501 -1.252) 5.642 9.597 ( 0.000 -4.229 -0.622) 4.274 9.654 ( 0.000 -4.524 -2.627) 5.231 9.780 ( 0.000 1.268 -0.426) 1.338 9.792 ( 0.000 -0.704 -2.190) 2.300 9.869 ( 0.000 -0.834 1.406) 1.635 10.032 ( 0.000 -3.464 -4.818) 5.934 10.548 ( 0.000 2.837 1.226) 3.090 10.593 ( 0.000 3.498 -1.094) 3.666 10.893 ( 0.000 -8.273 2.176) 8.555 10.956 ( 0.000 -6.951 -1.202) 7.054 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.25 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 1.765 3.120 5.686) 6.722 1.386 ( 0.068 3.696 2.091) 4.247 1.408 ( -2.784 0.724 0.508) 2.921 1.451 ( 0.139 5.631 0.006) 5.633 1.500 ( 1.363 3.898 3.803) 5.614 1.519 ( 1.345 4.024 -0.211) 4.248 1.590 ( -1.103 5.489 3.531) 6.619 1.625 ( -2.223 7.932 -0.603) 8.260 1.690 ( 0.014 -0.060 5.225) 5.225 1.776 ( -7.885 -0.573 0.152) 7.908 1.916 ( 0.485 6.818 -3.038) 7.480 1.985 ( 3.665 -1.658 -1.950) 4.470 2.048 ( -4.047 0.275 -2.860) 4.963 2.105 ( -3.304 -0.664 -5.224) 6.217 2.269 ( 3.314 -0.111 0.455) 3.347 2.276 ( 5.313 0.950 3.022) 6.186 2.337 ( 3.163 -1.472 -2.343) 4.203 2.418 ( -1.465 3.319 -0.071) 3.629 2.524 ( 0.572 -5.362 2.219) 5.831 2.589 ( -2.599 -2.056 3.085) 4.528 2.744 ( 2.835 -1.966 -0.851) 3.553 2.869 ( 2.354 -1.782 -9.545) 9.991 2.881 ( -0.455 -0.381 1.120) 1.267 3.030 ( -6.382 -1.791 1.885) 6.891 3.213 ( 0.732 0.021 1.886) 2.023 3.291 ( 5.755 -2.160 7.216) 9.479 3.372 ( -2.193 4.903 6.382) 8.341 3.540 ( -3.613 6.899 -2.956) 8.330 3.785 ( 5.364 -0.061 -0.473) 5.385 3.871 ( 0.554 1.214 2.764) 3.069 3.958 ( -4.078 -3.908 -3.871) 6.847 4.011 ( -1.770 -0.171 -2.491) 3.061 4.457 ( 1.077 0.042 -8.305) 8.375 4.507 ( 0.604 1.295 -5.569) 5.750 4.804 ( 0.077 -7.060 3.382) 7.829 4.849 ( -0.046 -8.207 1.815) 8.406 5.902 ( 0.618 4.691 -0.031) 4.732 5.910 ( 0.716 4.697 -0.389) 4.767 6.058 ( 0.271 -1.392 1.697) 2.211 6.106 ( -1.422 -1.556 -0.066) 2.109 6.218 ( 0.886 2.035 1.114) 2.484 6.260 ( -1.339 1.573 -1.400) 2.495 6.288 ( 0.558 -0.951 -1.999) 2.284 6.323 ( -0.045 -0.449 -3.599) 3.627 6.356 ( 0.211 6.611 -0.950) 6.682 6.388 ( -0.545 8.362 -2.016) 8.618 6.418 ( -0.071 2.236 1.219) 2.547 6.435 ( 0.266 2.875 -2.007) 3.517 6.487 ( 1.503 2.386 -1.696) 3.291 6.561 ( -1.775 1.619 -0.994) 2.600 6.607 ( 0.672 2.938 -1.912) 3.569 6.627 ( -0.336 2.351 -2.896) 3.745 6.759 ( 1.781 -1.353 0.223) 2.248 6.762 ( 1.992 -0.085 -0.215) 2.005 6.928 ( -1.368 -0.334 1.003) 1.729 6.941 ( -1.371 -0.061 0.102) 1.376 7.091 ( 1.004 1.178 2.438) 2.888 7.146 ( -0.619 -1.370 1.934) 2.450 7.194 ( -0.598 -1.682 0.424) 1.835 7.228 ( -1.247 -3.369 0.502) 3.627 7.285 ( 0.395 -1.074 1.796) 2.130 7.289 ( 0.377 -0.659 1.248) 1.461 7.478 ( -0.051 -6.465 1.448) 6.626 7.508 ( -0.546 -6.956 -0.291) 6.984 7.825 ( 3.359 2.692 1.275) 4.490 7.923 ( -0.453 1.384 -2.004) 2.477 8.011 ( -0.066 2.727 -0.464) 2.767 8.017 ( 0.098 3.848 -0.254) 3.857 8.686 ( -0.004 2.293 -1.400) 2.687 8.702 ( -0.484 4.295 -1.569) 4.598 8.828 ( -1.562 -0.144 0.109) 1.573 8.859 ( -3.326 0.901 -1.233) 3.660 9.053 ( 3.532 8.773 0.109) 9.457 9.074 ( 2.609 7.666 -0.724) 8.130 9.583 ( -1.053 -4.871 -0.212) 4.988 9.622 ( -2.670 -4.857 -1.688) 5.794 9.790 ( 0.852 1.043 -1.500) 2.016 9.803 ( 0.574 0.543 -3.060) 3.161 9.891 ( 2.389 -2.087 1.395) 3.465 10.007 ( -2.438 -3.321 -3.494) 5.402 10.566 ( 1.538 2.523 0.959) 3.107 10.596 ( 0.138 2.963 -0.639) 3.035 10.889 ( -0.080 -7.576 1.510) 7.725 10.937 ( -1.770 -6.778 -1.002) 7.077 ======================= Grid point 117 (45/60) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -2.633 1.116 2.861) 4.045 1.343 ( 2.633 1.116 2.861) 4.045 1.432 ( -2.627 6.755 0.337) 7.255 1.432 ( 2.627 6.755 0.337) 7.255 1.528 ( -1.312 4.653 -0.797) 4.900 1.528 ( 1.312 4.653 -0.797) 4.900 1.614 ( -4.978 0.500 7.354) 8.894 1.614 ( 4.978 0.500 7.354) 8.894 1.655 ( -3.728 1.673 1.008) 4.209 1.655 ( 3.728 1.673 1.008) 4.209 1.959 ( -4.063 4.583 -2.920) 6.785 1.959 ( 4.063 4.583 -2.920) 6.785 2.053 ( -3.085 -2.126 -6.375) 7.395 2.053 ( 3.085 -2.126 -6.375) 7.395 2.335 ( -3.451 -0.993 1.477) 3.883 2.335 ( 3.451 -0.993 1.477) 3.883 2.379 ( -3.185 2.885 1.143) 4.447 2.379 ( 3.185 2.885 1.143) 4.447 2.538 ( -1.955 -2.722 4.228) 5.395 2.538 ( 1.955 -2.722 4.228) 5.395 2.812 ( -4.282 -0.599 -4.710) 6.393 2.812 ( 4.282 -0.599 -4.710) 6.393 2.944 ( -3.600 -3.639 -3.638) 6.280 2.944 ( 3.600 -3.639 -3.638) 6.280 3.270 ( -4.959 3.336 6.750) 9.016 3.270 ( 4.959 3.336 6.750) 9.016 3.437 ( -6.882 2.436 5.051) 8.877 3.437 ( 6.882 2.436 5.051) 8.877 3.870 ( -4.542 -2.015 -1.151) 5.101 3.870 ( 4.542 -2.015 -1.151) 5.101 3.945 ( -4.986 0.924 -4.322) 6.663 3.945 ( 4.986 0.924 -4.322) 6.663 4.490 ( -2.009 1.341 -6.616) 7.043 4.490 ( 2.009 1.341 -6.616) 7.043 4.828 ( -1.872 -8.664 2.957) 9.345 4.828 ( 1.872 -8.664 2.957) 9.345 5.914 ( -0.354 4.715 -0.135) 4.730 5.914 ( 0.354 4.715 -0.135) 4.730 6.075 ( -1.515 -1.332 0.738) 2.148 6.075 ( 1.515 -1.332 0.738) 2.148 6.237 ( -1.085 1.391 -0.458) 1.823 6.237 ( 1.085 1.391 -0.458) 1.823 6.306 ( -1.217 -1.263 -2.543) 3.089 6.306 ( 1.217 -1.263 -2.543) 3.089 6.369 ( -1.045 8.500 -0.746) 8.596 6.369 ( 1.045 8.500 -0.746) 8.596 6.430 ( -0.761 2.084 -1.366) 2.605 6.430 ( 0.761 2.084 -1.366) 2.605 6.523 ( -2.111 2.043 -0.733) 3.028 6.523 ( 2.111 2.043 -0.733) 3.028 6.620 ( -0.533 2.685 -2.810) 3.923 6.620 ( 0.533 2.685 -2.810) 3.923 6.785 ( -0.224 0.222 0.077) 0.324 6.785 ( 0.224 0.222 0.077) 0.324 6.916 ( -0.576 -1.129 0.238) 1.290 6.916 ( 0.576 -1.129 0.238) 1.290 7.120 ( -1.810 -0.049 2.797) 3.332 7.120 ( 1.810 -0.049 2.797) 3.332 7.201 ( -1.247 -2.748 0.388) 3.043 7.201 ( 1.247 -2.748 0.388) 3.043 7.291 ( -0.180 -0.272 1.699) 1.730 7.291 ( 0.180 -0.272 1.699) 1.730 7.489 ( -1.110 -6.869 -0.168) 6.960 7.489 ( 1.110 -6.869 -0.168) 6.960 7.891 ( -2.942 2.511 0.450) 3.894 7.891 ( 2.942 2.511 0.450) 3.894 8.015 ( -0.318 2.660 -0.924) 2.834 8.015 ( 0.318 2.660 -0.924) 2.834 8.691 ( -0.507 3.773 -1.327) 4.031 8.691 ( 0.507 3.773 -1.327) 4.031 8.817 ( -0.799 -0.664 -1.057) 1.482 8.817 ( 0.799 -0.664 -1.057) 1.482 9.098 ( -0.631 9.581 -0.143) 9.603 9.098 ( 0.631 9.581 -0.143) 9.603 9.580 ( -1.155 -5.520 -0.479) 5.660 9.580 ( 1.155 -5.520 -0.479) 5.660 9.804 ( -0.453 1.120 -2.746) 3.000 9.804 ( 0.453 1.120 -2.746) 3.000 9.950 ( -3.389 -3.057 -0.719) 4.620 9.950 ( 3.389 -3.057 -0.719) 4.620 10.591 ( -0.810 2.323 0.341) 2.484 10.591 ( 0.810 2.323 0.341) 2.484 10.902 ( -1.519 -6.728 -0.048) 6.898 10.902 ( 1.519 -6.728 -0.048) 6.898 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.000 3.977 3.131) 5.061 1.424 ( 0.000 -3.055 0.905) 3.186 1.485 ( 0.000 2.896 -0.353) 2.917 1.487 ( 0.000 3.184 3.176) 4.498 1.537 ( 0.000 1.766 3.275) 3.721 1.574 ( 0.000 -1.296 3.849) 4.061 1.617 ( 0.000 3.096 -1.491) 3.436 1.715 ( 0.000 -3.363 -6.111) 6.975 1.823 ( 0.000 6.258 -1.161) 6.365 1.854 ( 0.000 0.225 3.251) 3.259 1.908 ( 0.000 -0.120 1.666) 1.671 1.953 ( 0.000 -2.879 -3.543) 4.565 2.169 ( 0.000 1.055 2.250) 2.485 2.170 ( 0.000 1.771 -0.082) 1.773 2.194 ( 0.000 3.076 0.501) 3.116 2.232 ( 0.000 -0.477 -2.217) 2.268 2.290 ( 0.000 2.278 -0.274) 2.294 2.391 ( 0.000 -6.547 2.302) 6.940 2.531 ( 0.000 6.727 -3.000) 7.366 2.590 ( 0.000 -0.362 -1.360) 1.407 2.660 ( 0.000 -0.974 -3.770) 3.894 2.730 ( 0.000 -6.884 -9.403) 11.653 2.967 ( 0.000 3.743 -2.490) 4.495 3.045 ( 0.000 -5.164 -5.210) 7.336 3.213 ( 0.000 1.101 13.212) 13.258 3.214 ( 0.000 0.705 5.388) 5.434 3.502 ( 0.000 8.839 -0.344) 8.845 3.671 ( 0.000 -6.743 -0.257) 6.748 3.739 ( 0.000 6.967 -0.802) 7.013 3.845 ( 0.000 -6.492 0.002) 6.492 3.939 ( 0.000 2.844 2.573) 3.835 4.000 ( 0.000 -2.900 -3.504) 4.548 4.464 ( 0.000 2.467 -2.621) 3.599 4.508 ( 0.000 -0.523 -2.077) 2.141 4.712 ( 0.000 -3.099 2.178) 3.788 4.736 ( 0.000 -3.905 1.405) 4.150 5.961 ( 0.000 2.534 0.587) 2.601 5.975 ( 0.000 2.069 0.366) 2.102 6.039 ( 0.000 0.355 0.284) 0.455 6.078 ( 0.000 -2.602 -0.664) 2.686 6.231 ( 0.000 0.744 0.851) 1.131 6.249 ( 0.000 -1.299 -0.043) 1.300 6.311 ( 0.000 0.068 -4.022) 4.022 6.311 ( 0.000 0.027 -3.906) 3.906 6.441 ( 0.000 2.361 -0.330) 2.384 6.444 ( 0.000 1.420 0.270) 1.445 6.466 ( 0.000 2.425 -2.274) 3.324 6.490 ( 0.000 0.097 -2.957) 2.959 6.585 ( 0.000 5.169 0.222) 5.174 6.612 ( 0.000 0.378 0.522) 0.644 6.632 ( 0.000 1.789 0.959) 2.030 6.660 ( 0.000 -0.062 -0.505) 0.508 6.721 ( 0.000 1.096 -2.732) 2.944 6.735 ( 0.000 -0.106 -2.205) 2.208 6.947 ( 0.000 -0.264 1.414) 1.439 6.948 ( 0.000 -0.593 0.633) 0.868 7.126 ( 0.000 1.788 0.285) 1.810 7.131 ( 0.000 -0.115 1.560) 1.565 7.179 ( 0.000 -1.853 2.362) 3.002 7.188 ( 0.000 -1.097 0.551) 1.227 7.257 ( 0.000 -0.416 0.977) 1.062 7.264 ( 0.000 -0.705 0.257) 0.751 7.394 ( 0.000 -2.496 2.036) 3.221 7.408 ( 0.000 -3.660 0.761) 3.738 7.861 ( 0.000 4.343 -1.544) 4.609 7.920 ( 0.000 -1.385 -3.799) 4.043 8.050 ( 0.000 1.006 0.823) 1.300 8.060 ( 0.000 0.475 0.268) 0.545 8.716 ( 0.000 1.584 -1.003) 1.875 8.738 ( 0.000 -0.356 -1.742) 1.778 8.890 ( 0.000 2.624 1.487) 3.016 8.923 ( 0.000 -0.595 -0.107) 0.605 9.130 ( 0.000 3.569 -0.365) 3.588 9.130 ( 0.000 4.199 -0.525) 4.232 9.536 ( 0.000 -1.373 -1.603) 2.111 9.567 ( 0.000 -4.128 -2.633) 4.896 9.785 ( 0.000 0.062 -0.814) 0.816 9.791 ( 0.000 -0.279 0.644) 0.702 9.883 ( 0.000 2.767 -3.242) 4.263 9.956 ( 0.000 -4.457 -4.710) 6.485 10.623 ( 0.000 5.294 1.897) 5.623 10.685 ( 0.000 6.159 -1.083) 6.254 10.744 ( 0.000 -7.344 2.352) 7.711 10.818 ( 0.000 -7.599 -1.364) 7.721 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.25 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 0.580 2.240 3.269) 4.005 1.399 ( -1.034 -1.870 1.501) 2.611 1.446 ( -3.697 3.636 1.741) 5.470 1.498 ( -0.785 -0.354 -0.517) 1.005 1.547 ( 1.619 1.870 4.039) 4.736 1.582 ( 1.851 -1.299 3.395) 4.079 1.621 ( 0.434 5.071 -1.424) 5.285 1.715 ( -0.959 -1.698 -4.432) 4.842 1.772 ( -4.524 5.565 0.462) 7.187 1.788 ( -6.303 4.632 2.999) 8.377 1.867 ( -1.210 -5.977 -0.720) 6.140 1.925 ( -3.067 -7.520 -4.901) 9.485 2.145 ( 1.537 8.615 0.591) 8.770 2.185 ( 0.016 5.328 -0.924) 5.407 2.258 ( 2.534 -1.059 -0.710) 2.836 2.276 ( 4.038 -3.154 -0.813) 5.188 2.337 ( 4.649 2.996 2.413) 6.034 2.413 ( 2.183 -4.664 3.672) 6.325 2.510 ( -2.350 4.755 -1.398) 5.485 2.572 ( -2.308 -0.963 1.602) 2.970 2.709 ( 4.369 -0.660 -6.244) 7.649 2.762 ( 3.440 -5.861 -9.626) 11.784 2.920 ( -4.933 2.086 -6.520) 8.438 2.972 ( -6.049 -3.621 -6.382) 9.509 3.251 ( 4.502 3.030 9.145) 10.634 3.287 ( 6.771 -0.414 10.954) 12.884 3.480 ( -3.296 7.773 2.991) 8.957 3.615 ( -6.399 -3.227 1.509) 7.324 3.781 ( 3.789 2.173 -0.571) 4.405 3.838 ( 1.897 -2.774 -2.279) 4.061 3.934 ( -1.646 1.240 -0.996) 2.289 3.984 ( -1.919 -3.050 -3.222) 4.834 4.488 ( 2.572 3.470 -1.750) 4.661 4.539 ( 2.575 0.497 -1.705) 3.128 4.682 ( -2.505 -3.786 2.429) 5.149 4.719 ( -1.959 -5.619 1.411) 6.116 5.971 ( 0.982 2.771 0.486) 2.980 5.986 ( 0.919 2.573 0.036) 2.733 6.035 ( -0.331 -0.445 0.518) 0.759 6.068 ( -1.067 -2.463 -0.409) 2.715 6.236 ( 0.598 0.744 0.214) 0.979 6.256 ( 0.711 -1.335 -0.522) 1.600 6.286 ( -1.707 0.859 -2.830) 3.414 6.305 ( -1.192 -1.123 -3.427) 3.798 6.449 ( 0.624 1.816 -0.266) 1.939 6.452 ( 1.133 1.967 -0.751) 2.391 6.471 ( 0.144 2.120 -2.482) 3.267 6.489 ( -0.245 0.438 -2.601) 2.649 6.583 ( 0.010 5.109 0.343) 5.120 6.604 ( -1.173 3.391 0.262) 3.598 6.629 ( 0.681 -0.798 -0.057) 1.051 6.652 ( -0.544 -0.489 -1.420) 1.597 6.761 ( 3.338 1.501 -1.311) 3.888 6.770 ( 3.014 0.707 -1.056) 3.271 6.917 ( -2.580 -0.647 0.778) 2.771 6.924 ( -2.610 -1.392 0.352) 2.979 7.116 ( -0.057 1.269 1.587) 2.033 7.135 ( 0.073 -0.126 1.008) 1.019 7.164 ( -1.196 -1.140 1.942) 2.550 7.178 ( -1.066 -1.736 1.123) 2.326 7.278 ( 1.872 0.616 1.022) 2.220 7.287 ( 1.832 0.209 0.148) 1.849 7.383 ( -0.930 -2.988 1.379) 3.420 7.399 ( -1.029 -4.232 0.346) 4.369 7.894 ( 3.086 4.165 -0.969) 5.274 7.944 ( 2.067 -0.233 -2.893) 3.563 8.033 ( -1.619 0.538 0.583) 1.803 8.049 ( -1.190 -0.306 -0.167) 1.240 8.725 ( 0.989 1.841 -0.902) 2.276 8.745 ( 0.823 0.173 -1.624) 1.829 8.838 ( -3.942 1.441 0.572) 4.236 8.863 ( -4.490 -0.668 -0.582) 4.577 9.198 ( 5.753 5.829 0.121) 8.191 9.211 ( 6.064 5.205 -0.502) 8.008 9.497 ( -3.580 -3.078 -0.839) 4.795 9.523 ( -4.108 -5.008 -1.793) 6.721 9.803 ( 1.684 0.850 -1.307) 2.295 9.820 ( 2.395 -0.225 -0.941) 2.583 9.875 ( -0.732 1.557 -2.516) 3.048 9.936 ( -1.971 -4.069 -3.796) 5.904 10.636 ( 1.157 5.026 1.352) 5.331 10.679 ( -0.684 5.803 -0.735) 5.889 10.750 ( 0.726 -7.053 1.635) 7.276 10.804 ( -1.378 -7.289 -1.031) 7.489 ======================= Grid point 122 (48/60) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -2.313 2.708 2.211) 4.192 1.377 ( 2.313 2.708 2.211) 4.192 1.438 ( -4.098 -3.346 1.350) 5.460 1.438 ( 4.098 -3.346 1.350) 5.460 1.603 ( -3.127 3.635 1.664) 5.076 1.603 ( 3.127 3.635 1.664) 5.076 1.653 ( -4.844 -1.146 1.903) 5.329 1.653 ( 4.844 -1.146 1.903) 5.329 1.714 ( -0.644 7.715 -0.443) 7.755 1.714 ( 0.644 7.715 -0.443) 7.755 1.875 ( -1.856 -8.836 -4.105) 9.918 1.875 ( 1.856 -8.836 -4.105) 9.918 2.179 ( -1.117 9.169 -1.257) 9.322 2.179 ( 1.117 9.169 -1.257) 9.322 2.297 ( -1.345 -3.619 -0.298) 3.872 2.297 ( 1.345 -3.619 -0.298) 3.872 2.439 ( -4.653 3.221 1.635) 5.890 2.439 ( 4.653 3.221 1.635) 5.890 2.492 ( -5.116 -2.421 4.243) 7.074 2.492 ( 5.116 -2.421 4.243) 7.074 2.806 ( -5.399 0.697 -7.638) 9.379 2.806 ( 5.399 0.697 -7.638) 9.379 2.856 ( -5.390 -4.548 -9.180) 11.576 2.856 ( 5.390 -4.548 -9.180) 11.576 3.368 ( -6.442 6.198 8.298) 12.197 3.368 ( 6.442 6.198 8.298) 12.197 3.455 ( -8.921 -2.010 6.490) 11.214 3.455 ( 8.921 -2.010 6.490) 11.214 3.862 ( -4.022 1.942 -2.781) 5.262 3.862 ( 4.022 1.942 -2.781) 5.262 3.922 ( -4.035 -3.182 -3.505) 6.220 3.922 ( 4.035 -3.182 -3.505) 6.220 4.548 ( -2.619 5.021 -1.084) 5.766 4.548 ( 2.619 5.021 -1.084) 5.766 4.671 ( -2.211 -7.899 1.972) 8.437 4.671 ( 2.211 -7.899 1.972) 8.437 5.991 ( -0.745 3.452 0.082) 3.532 5.991 ( 0.745 3.452 0.082) 3.532 6.042 ( -1.285 -2.197 0.258) 2.558 6.042 ( 1.285 -2.197 0.258) 2.558 6.255 ( -1.348 0.935 -1.181) 2.022 6.255 ( 1.348 0.935 -1.181) 2.022 6.277 ( -1.433 -1.505 -1.876) 2.800 6.277 ( 1.433 -1.505 -1.876) 2.800 6.464 ( -0.740 1.964 -1.609) 2.644 6.464 ( 0.740 1.964 -1.609) 2.644 6.477 ( -1.077 1.220 -1.766) 2.401 6.477 ( 1.077 1.220 -1.766) 2.401 6.588 ( -0.501 4.491 0.288) 4.528 6.588 ( 0.501 4.491 0.288) 4.528 6.642 ( -0.594 -0.818 -1.243) 1.602 6.642 ( 0.594 -0.818 -1.243) 1.602 6.814 ( -0.349 3.067 -0.070) 3.087 6.814 ( 0.349 3.067 -0.070) 3.087 6.877 ( -0.300 -3.044 -0.174) 3.064 6.877 ( 0.300 -3.044 -0.174) 3.064 7.128 ( -1.018 0.941 1.933) 2.379 7.128 ( 1.018 0.941 1.933) 2.379 7.156 ( -0.857 -2.004 1.173) 2.475 7.156 ( 0.857 -2.004 1.173) 2.475 7.307 ( -0.464 2.241 0.916) 2.465 7.307 ( 0.464 2.241 0.916) 2.465 7.376 ( -0.719 -5.093 0.083) 5.144 7.376 ( 0.719 -5.093 0.083) 5.144 7.955 ( -2.315 4.067 -0.490) 4.705 7.955 ( 2.315 4.067 -0.490) 4.705 8.019 ( -1.343 -2.124 -0.857) 2.655 8.019 ( 1.343 -2.124 -0.857) 2.655 8.753 ( -1.410 2.910 -0.776) 3.325 8.753 ( 1.410 2.910 -0.776) 3.325 8.797 ( -1.470 -1.686 -0.856) 2.395 8.797 ( 1.470 -1.686 -0.856) 2.395 9.283 ( -0.919 9.895 -0.338) 9.943 9.283 ( 0.919 9.895 -0.338) 9.943 9.452 ( -1.209 -8.150 -0.493) 8.254 9.452 ( 1.209 -8.150 -0.493) 8.254 9.836 ( -1.335 2.332 -2.616) 3.750 9.836 ( 1.335 2.332 -2.616) 3.750 9.889 ( -2.595 -3.266 -1.731) 4.516 9.889 ( 2.595 -3.266 -1.731) 4.516 10.660 ( -1.232 5.073 0.249) 5.227 10.660 ( 1.232 5.073 0.249) 5.227 10.773 ( -1.604 -6.837 0.076) 7.023 10.773 ( 1.604 -6.837 0.076) 7.023 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.000 0.000 -1.229) 1.229 1.073 ( 0.000 0.000 1.229) 1.229 1.335 ( 0.000 0.000 -2.663) 2.663 1.335 ( 0.000 0.000 2.663) 2.663 1.473 ( 0.000 0.000 -3.889) 3.889 1.473 ( 0.000 0.000 3.889) 3.889 1.593 ( 0.000 0.000 -8.660) 8.660 1.593 ( 0.000 0.000 8.660) 8.660 1.606 ( 0.000 0.000 -11.485) 11.485 1.606 ( 0.000 0.000 11.485) 11.485 1.969 ( 0.000 0.000 -3.830) 3.830 1.969 ( 0.000 0.000 3.830) 3.830 2.107 ( 0.000 0.000 -9.145) 9.145 2.107 ( 0.000 0.000 9.145) 9.145 2.263 ( 0.000 0.000 -1.447) 1.447 2.263 ( 0.000 0.000 1.447) 1.447 2.297 ( 0.000 0.000 -1.004) 1.004 2.297 ( 0.000 0.000 1.004) 1.004 2.744 ( 0.000 0.000 -4.554) 4.554 2.744 ( 0.000 0.000 4.554) 4.554 2.850 ( 0.000 0.000 -3.161) 3.161 2.850 ( 0.000 0.000 3.161) 3.161 3.177 ( 0.000 0.000 -13.378) 13.378 3.177 ( 0.000 0.000 13.378) 13.378 3.202 ( 0.000 0.000 -9.312) 9.312 3.202 ( 0.000 0.000 9.312) 9.312 3.391 ( 0.000 0.000 -12.047) 12.047 3.391 ( 0.000 0.000 12.047) 12.047 3.769 ( 0.000 0.000 -9.965) 9.965 3.769 ( 0.000 0.000 9.965) 9.965 3.956 ( 0.000 0.000 -15.696) 15.696 3.956 ( 0.000 0.000 15.696) 15.696 4.359 ( 0.000 0.000 -3.911) 3.911 4.359 ( 0.000 0.000 3.911) 3.911 5.015 ( 0.000 0.000 -3.295) 3.295 5.015 ( 0.000 0.000 3.295) 3.295 5.750 ( 0.000 0.000 -0.217) 0.217 5.750 ( 0.000 0.000 0.217) 0.217 6.051 ( 0.000 0.000 -3.292) 3.292 6.051 ( 0.000 0.000 3.292) 3.292 6.172 ( 0.000 0.000 -1.864) 1.864 6.172 ( 0.000 0.000 1.864) 1.864 6.253 ( 0.000 0.000 -0.983) 0.983 6.253 ( 0.000 0.000 0.983) 0.983 6.285 ( 0.000 0.000 -2.080) 2.080 6.285 ( 0.000 0.000 2.080) 2.080 6.403 ( 0.000 0.000 -0.913) 0.913 6.403 ( 0.000 0.000 0.913) 0.913 6.468 ( 0.000 0.000 -1.397) 1.397 6.468 ( 0.000 0.000 1.397) 1.397 6.497 ( 0.000 0.000 -4.730) 4.730 6.497 ( 0.000 0.000 4.730) 4.730 6.796 ( 0.000 0.000 -1.586) 1.586 6.796 ( 0.000 0.000 1.586) 1.586 6.927 ( 0.000 0.000 -0.390) 0.390 6.927 ( 0.000 0.000 0.390) 0.390 7.162 ( 0.000 0.000 -3.973) 3.973 7.162 ( 0.000 0.000 3.973) 3.973 7.285 ( 0.000 0.000 -2.434) 2.434 7.285 ( 0.000 0.000 2.434) 2.434 7.340 ( 0.000 0.000 -0.073) 0.073 7.340 ( 0.000 0.000 0.073) 0.073 7.730 ( 0.000 0.000 -0.825) 0.825 7.730 ( 0.000 0.000 0.825) 0.825 7.795 ( 0.000 0.000 -2.382) 2.382 7.795 ( 0.000 0.000 2.382) 2.382 7.887 ( 0.000 0.000 -2.217) 2.217 7.887 ( 0.000 0.000 2.217) 2.217 8.575 ( 0.000 0.000 -3.863) 3.863 8.575 ( 0.000 0.000 3.863) 3.863 8.831 ( 0.000 0.000 -1.943) 1.943 8.831 ( 0.000 0.000 1.943) 1.943 8.863 ( 0.000 0.000 -0.732) 0.732 8.863 ( 0.000 0.000 0.732) 0.732 9.705 ( 0.000 0.000 -1.302) 1.302 9.705 ( 0.000 0.000 1.302) 1.302 9.768 ( 0.000 0.000 -1.375) 1.375 9.768 ( 0.000 0.000 1.375) 1.375 10.005 ( 0.000 0.000 -4.923) 4.923 10.005 ( 0.000 0.000 4.923) 4.923 10.517 ( 0.000 0.000 -0.789) 0.789 10.517 ( 0.000 0.000 0.789) 0.789 11.093 ( 0.000 0.000 -0.334) 0.334 11.093 ( 0.000 0.000 0.334) 0.334 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -1.530 0.000 -1.272) 1.990 1.054 ( -1.530 0.000 1.272) 1.990 1.332 ( -0.170 0.000 -1.985) 1.992 1.332 ( -0.170 0.000 1.985) 1.992 1.437 ( -2.847 0.000 -2.472) 3.770 1.437 ( -2.847 0.000 2.472) 3.770 1.621 ( 1.180 0.000 -8.670) 8.750 1.621 ( 1.180 0.000 8.670) 8.750 1.648 ( 4.842 0.000 -7.098) 8.592 1.648 ( 4.842 0.000 7.098) 8.592 1.965 ( -0.322 0.000 -5.880) 5.888 1.965 ( -0.322 0.000 5.880) 5.888 2.048 ( -5.009 0.000 -7.181) 8.755 2.048 ( -5.009 0.000 7.181) 8.755 2.323 ( 1.794 0.000 -1.175) 2.144 2.323 ( 1.794 0.000 1.175) 2.144 2.326 ( 5.487 0.000 -2.843) 6.180 2.326 ( 5.487 0.000 2.843) 6.180 2.713 ( -2.332 0.000 -4.836) 5.368 2.713 ( -2.332 0.000 4.836) 5.368 2.797 ( -4.661 0.000 -5.236) 7.011 2.797 ( -4.661 0.000 5.236) 7.011 3.202 ( -0.025 0.000 -6.575) 6.575 3.202 ( -0.025 0.000 6.575) 6.575 3.218 ( 2.945 0.000 -10.521) 10.926 3.218 ( 2.945 0.000 10.521) 10.926 3.387 ( -0.315 0.000 -10.208) 10.213 3.387 ( -0.315 0.000 10.208) 10.213 3.771 ( 0.129 0.000 -7.027) 7.028 3.771 ( 0.129 0.000 7.027) 7.028 3.958 ( 0.217 0.000 -11.230) 11.232 3.958 ( 0.217 0.000 11.230) 11.232 4.339 ( -1.712 0.000 -3.940) 4.296 4.339 ( -1.712 0.000 3.940) 4.296 5.034 ( 1.615 0.000 -2.520) 2.994 5.034 ( 1.615 0.000 2.520) 2.994 5.756 ( 0.446 0.000 -0.170) 0.477 5.756 ( 0.446 0.000 0.170) 0.477 6.064 ( 1.280 0.000 -2.931) 3.199 6.064 ( 1.280 0.000 2.931) 3.199 6.156 ( -1.501 0.000 -1.968) 2.475 6.156 ( -1.501 0.000 1.968) 2.475 6.256 ( 0.266 0.000 -1.189) 1.218 6.256 ( 0.266 0.000 1.189) 1.218 6.281 ( -0.360 0.000 -1.736) 1.773 6.281 ( -0.360 0.000 1.736) 1.773 6.402 ( -0.108 0.000 -0.658) 0.667 6.402 ( -0.108 0.000 0.658) 0.667 6.466 ( -0.174 0.000 -1.011) 1.026 6.466 ( -0.174 0.000 1.011) 1.026 6.514 ( 1.482 0.000 -3.480) 3.782 6.514 ( 1.482 0.000 3.480) 3.782 6.790 ( -0.523 0.000 -1.402) 1.496 6.790 ( -0.523 0.000 1.402) 1.496 6.926 ( -0.058 0.000 -0.270) 0.276 6.926 ( -0.058 0.000 0.270) 0.276 7.176 ( 1.420 0.000 -3.641) 3.908 7.176 ( 1.420 0.000 3.641) 3.908 7.267 ( -1.743 0.000 -2.548) 3.087 7.267 ( -1.743 0.000 2.548) 3.087 7.339 ( -0.057 0.000 -0.057) 0.081 7.339 ( -0.057 0.000 0.057) 0.081 7.738 ( 0.748 0.000 -0.749) 1.059 7.738 ( 0.748 0.000 0.749) 1.059 7.795 ( 0.022 0.000 -1.677) 1.677 7.795 ( 0.022 0.000 1.677) 1.677 7.884 ( -0.257 0.000 -1.642) 1.662 7.884 ( -0.257 0.000 1.642) 1.662 8.576 ( 0.052 0.000 -2.720) 2.721 8.576 ( 0.052 0.000 2.720) 2.721 8.832 ( 0.053 0.000 -1.368) 1.369 8.832 ( 0.053 0.000 1.368) 1.369 8.864 ( 0.035 0.000 -0.567) 0.568 8.864 ( 0.035 0.000 0.567) 0.568 9.690 ( -1.242 0.000 -0.854) 1.507 9.690 ( -1.242 0.000 0.854) 1.507 9.769 ( 0.076 0.000 -0.977) 0.980 9.769 ( 0.076 0.000 0.977) 0.980 10.009 ( 0.289 0.000 -3.257) 3.270 10.009 ( 0.289 0.000 3.257) 3.270 10.542 ( 2.155 0.000 -0.730) 2.276 10.542 ( 2.155 0.000 0.730) 2.276 11.070 ( -1.952 0.000 -0.405) 1.994 11.070 ( -1.952 0.000 0.405) 1.994 ======================= Grid point 144 (51/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.000 0.000 0.000) 0.000 1.036 ( 0.000 0.000 0.000) 0.000 1.331 ( -0.000 0.000 0.000) 0.000 1.331 ( 0.000 0.000 0.000) 0.000 1.404 ( -0.000 0.000 0.000) 0.000 1.404 ( 0.000 0.000 0.000) 0.000 1.634 ( 0.000 0.000 0.000) 0.000 1.634 ( 0.000 0.000 0.000) 0.000 1.714 ( -0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 1.961 ( -0.000 0.000 0.000) 0.000 1.961 ( -0.000 0.000 0.000) 0.000 1.981 ( -0.000 0.000 0.000) 0.000 1.981 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.398 ( -0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 -0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.728 ( -0.000 0.000 -0.000) 0.000 2.728 ( -0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 -0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.384 ( 0.000 0.000 -0.000) 0.000 3.384 ( 0.000 0.000 0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 3.961 ( 0.000 0.000 0.000) 0.000 3.961 ( 0.000 0.000 0.000) 0.000 4.318 ( -0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 5.054 ( 0.000 0.000 0.000) 0.000 5.054 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 -0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 6.276 ( 0.000 0.000 -0.000) 0.000 6.276 ( 0.000 0.000 0.000) 0.000 6.401 ( 0.000 0.000 0.000) 0.000 6.401 ( 0.000 0.000 0.000) 0.000 6.464 ( -0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.533 ( 0.000 0.000 0.000) 0.000 6.533 ( 0.000 0.000 0.000) 0.000 6.783 ( 0.000 0.000 0.000) 0.000 6.783 ( 0.000 0.000 0.000) 0.000 6.926 ( -0.000 0.000 0.000) 0.000 6.926 ( 0.000 0.000 0.000) 0.000 7.202 ( 0.000 0.000 0.000) 0.000 7.202 ( -0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 -0.000) 0.000 7.237 ( 0.000 0.000 -0.000) 0.000 7.338 ( -0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.748 ( 0.000 0.000 0.000) 0.000 7.748 ( 0.000 0.000 0.000) 0.000 7.795 ( 0.000 0.000 0.000) 0.000 7.795 ( 0.000 0.000 0.000) 0.000 7.880 ( -0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 8.832 ( -0.000 0.000 0.000) 0.000 8.832 ( 0.000 0.000 0.000) 0.000 8.864 ( 0.000 0.000 0.000) 0.000 8.864 ( 0.000 0.000 0.000) 0.000 9.675 ( -0.000 0.000 0.000) 0.000 9.675 ( 0.000 0.000 0.000) 0.000 9.770 ( 0.000 0.000 0.000) 0.000 9.770 ( 0.000 0.000 0.000) 0.000 10.012 ( 0.000 0.000 0.000) 0.000 10.012 ( 0.000 0.000 0.000) 0.000 10.569 ( -0.000 0.000 0.000) 0.000 10.569 ( 0.000 0.000 0.000) 0.000 11.045 ( 0.000 0.000 0.000) 0.000 11.045 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 150 (52/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 12.185 -2.349) 12.409 1.221 ( 0.000 12.185 2.349) 12.409 1.378 ( 0.000 4.282 -1.560) 4.558 1.378 ( 0.000 4.282 1.560) 4.558 1.490 ( 0.000 1.787 -3.667) 4.079 1.490 ( 0.000 1.787 3.667) 4.079 1.557 ( 0.000 0.984 -1.954) 2.188 1.557 ( 0.000 0.984 1.954) 2.188 1.687 ( 0.000 4.459 -1.526) 4.713 1.687 ( 0.000 4.459 1.526) 4.713 1.947 ( 0.000 -2.143 -3.818) 4.378 1.947 ( 0.000 -2.143 3.818) 4.378 2.118 ( 0.000 1.148 -7.707) 7.792 2.118 ( 0.000 1.148 7.707) 7.792 2.251 ( 0.000 -1.800 -2.387) 2.990 2.251 ( 0.000 -1.800 2.387) 2.990 2.291 ( 0.000 0.030 -2.752) 2.752 2.291 ( 0.000 0.030 2.752) 2.752 2.723 ( 0.000 -5.382 -5.804) 7.915 2.723 ( 0.000 -5.382 5.804) 7.915 2.763 ( 0.000 -4.407 -2.047) 4.859 2.763 ( 0.000 -4.407 2.047) 4.859 3.112 ( 0.000 -4.781 -10.630) 11.655 3.112 ( 0.000 -4.781 10.630) 11.655 3.227 ( 0.000 1.475 -4.653) 4.881 3.227 ( 0.000 1.475 4.653) 4.881 3.474 ( 0.000 6.902 -9.823) 12.006 3.474 ( 0.000 6.902 9.823) 12.006 3.757 ( 0.000 -1.493 -16.767) 16.834 3.757 ( 0.000 -1.493 16.767) 16.834 3.979 ( 0.000 2.117 -9.331) 9.568 3.979 ( 0.000 2.117 9.331) 9.568 4.366 ( 0.000 0.865 -3.537) 3.641 4.366 ( 0.000 0.865 3.537) 3.641 4.964 ( 0.000 -5.084 -2.563) 5.693 4.964 ( 0.000 -5.084 2.563) 5.693 5.801 ( 0.000 4.717 -0.269) 4.725 5.801 ( 0.000 4.717 0.269) 4.725 6.114 ( 0.000 4.217 -2.532) 4.918 6.114 ( 0.000 4.217 2.532) 4.918 6.154 ( 0.000 1.013 -2.085) 2.318 6.154 ( 0.000 1.013 2.085) 2.318 6.277 ( 0.000 0.249 -0.060) 0.256 6.277 ( 0.000 0.249 0.060) 0.256 6.285 ( 0.000 1.577 -1.684) 2.307 6.285 ( 0.000 1.577 1.684) 2.307 6.401 ( 0.000 -0.182 -1.453) 1.465 6.401 ( 0.000 -0.182 1.453) 1.465 6.463 ( 0.000 0.962 -4.026) 4.139 6.463 ( 0.000 0.962 4.026) 4.139 6.541 ( 0.000 3.293 -1.787) 3.746 6.541 ( 0.000 3.293 1.787) 3.746 6.777 ( 0.000 -1.773 -1.204) 2.143 6.777 ( 0.000 -1.773 1.204) 2.143 6.940 ( 0.000 1.151 -0.229) 1.173 6.940 ( 0.000 1.151 0.229) 1.173 7.146 ( 0.000 -1.338 -3.572) 3.814 7.146 ( 0.000 -1.338 3.572) 3.814 7.269 ( 0.000 -1.636 -2.080) 2.647 7.269 ( 0.000 -1.636 2.080) 2.647 7.327 ( 0.000 -1.286 -0.101) 1.290 7.327 ( 0.000 -1.286 0.101) 1.290 7.634 ( 0.000 -6.557 -0.410) 6.570 7.634 ( 0.000 -6.557 0.410) 6.570 7.851 ( 0.000 -0.227 -4.512) 4.518 7.851 ( 0.000 -0.227 4.512) 4.518 7.913 ( 0.000 5.604 -0.403) 5.619 7.913 ( 0.000 5.604 0.403) 5.619 8.616 ( 0.000 3.622 -1.849) 4.067 8.616 ( 0.000 3.622 1.849) 4.067 8.850 ( 0.000 1.307 -1.215) 1.784 8.850 ( 0.000 1.307 1.215) 1.784 8.900 ( 0.000 4.519 -1.760) 4.850 8.900 ( 0.000 4.519 1.760) 4.850 9.678 ( 0.000 -2.841 -1.418) 3.176 9.678 ( 0.000 -2.841 1.418) 3.176 9.766 ( 0.000 -0.150 -1.020) 1.031 9.766 ( 0.000 -0.150 1.020) 1.031 9.988 ( 0.000 -1.880 -4.896) 5.245 9.988 ( 0.000 -1.880 4.896) 5.245 10.528 ( 0.000 1.332 -0.833) 1.571 10.528 ( 0.000 1.332 0.833) 1.571 11.046 ( 0.000 -4.789 -0.757) 4.848 11.046 ( 0.000 -4.789 0.757) 4.848 ======================= Grid point 152 (53/60) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -0.875 13.226 -1.728) 13.367 1.210 ( -0.875 13.226 1.728) 13.367 1.379 ( 0.028 4.330 -0.986) 4.441 1.379 ( 0.028 4.330 0.986) 4.441 1.442 ( -3.488 0.846 -2.223) 4.222 1.442 ( -3.488 0.846 2.223) 4.222 1.602 ( 3.503 0.697 -3.896) 5.285 1.602 ( 3.503 0.697 3.896) 5.285 1.703 ( 1.592 3.854 -4.208) 5.924 1.703 ( 1.592 3.854 4.208) 5.924 1.945 ( -0.258 -2.253 -6.841) 7.207 1.945 ( -0.258 -2.253 6.841) 7.207 2.037 ( -6.208 -1.104 -4.000) 7.467 2.037 ( -6.208 -1.104 4.000) 7.467 2.304 ( 4.244 -1.070 -1.995) 4.810 2.304 ( 4.244 -1.070 1.995) 4.810 2.343 ( 3.642 1.068 -2.853) 4.748 2.343 ( 3.642 1.068 2.853) 4.748 2.698 ( -1.891 -3.162 -4.976) 6.192 2.698 ( -1.891 -3.162 4.976) 6.192 2.748 ( -1.524 -3.237 -3.385) 4.926 2.748 ( -1.524 -3.237 3.385) 4.926 3.068 ( -2.989 -7.027 -4.484) 8.855 3.068 ( -2.989 -7.027 4.484) 8.855 3.293 ( 4.918 1.191 -6.011) 7.857 3.293 ( 4.918 1.191 6.011) 7.857 3.449 ( -2.336 6.603 -8.184) 10.772 3.449 ( -2.336 6.603 8.184) 10.772 3.780 ( 2.064 0.104 -10.297) 10.502 3.780 ( 2.064 0.104 10.297) 10.502 3.960 ( -1.824 0.332 -6.941) 7.184 3.960 ( -1.824 0.332 6.941) 7.184 4.354 ( -0.992 1.749 -3.573) 4.100 4.354 ( -0.992 1.749 3.573) 4.100 4.981 ( 1.371 -5.449 -2.134) 6.010 4.981 ( 1.371 -5.449 2.134) 6.010 5.808 ( 0.596 4.849 -0.239) 4.891 5.808 ( 0.596 4.849 0.239) 4.891 6.115 ( 0.017 1.641 -1.840) 2.465 6.115 ( 0.017 1.641 1.840) 2.465 6.153 ( -0.126 3.496 -1.600) 3.847 6.153 ( -0.126 3.496 1.600) 3.847 6.272 ( -0.247 0.305 -1.995) 2.033 6.272 ( -0.247 0.305 1.995) 2.033 6.283 ( -0.344 1.304 -1.692) 2.164 6.283 ( -0.344 1.304 1.692) 2.164 6.404 ( 0.157 0.130 -0.662) 0.693 6.404 ( 0.157 0.130 0.662) 0.693 6.471 ( 0.751 1.131 -2.858) 3.164 6.471 ( 0.751 1.131 2.858) 3.164 6.542 ( 0.127 2.533 -1.484) 2.938 6.542 ( 0.127 2.533 1.484) 2.938 6.779 ( 0.213 -0.961 -0.971) 1.383 6.779 ( 0.213 -0.961 0.971) 1.383 6.934 ( -0.512 0.644 -0.119) 0.831 6.934 ( -0.512 0.644 0.119) 0.831 7.160 ( 1.388 -1.393 -3.232) 3.784 7.160 ( 1.388 -1.393 3.232) 3.784 7.252 ( -1.607 -1.487 -2.204) 3.106 7.252 ( -1.607 -1.487 2.204) 3.106 7.327 ( -0.017 -1.184 -0.079) 1.186 7.327 ( -0.017 -1.184 0.079) 1.186 7.629 ( -0.421 -7.123 -0.645) 7.165 7.629 ( -0.421 -7.123 0.645) 7.165 7.866 ( 1.216 0.120 -3.203) 3.428 7.866 ( 1.216 0.120 3.203) 3.428 7.913 ( -0.037 6.007 -0.204) 6.010 7.913 ( -0.037 6.007 0.204) 6.010 8.611 ( -0.350 3.347 -1.362) 3.631 8.611 ( -0.350 3.347 1.362) 3.631 8.831 ( -1.247 0.096 -0.580) 1.378 8.831 ( -1.247 0.096 0.580) 1.378 8.923 ( 1.524 5.879 -0.872) 6.136 8.923 ( 1.524 5.879 0.872) 6.136 9.663 ( -1.189 -2.811 -0.943) 3.194 9.663 ( -1.189 -2.811 0.943) 3.194 9.768 ( 0.127 -0.070 -0.736) 0.750 9.768 ( 0.127 -0.070 0.736) 0.750 9.991 ( 0.301 -1.884 -3.292) 3.805 9.991 ( 0.301 -1.884 3.292) 3.805 10.549 ( 1.771 0.886 -0.624) 2.077 10.549 ( 1.771 0.886 0.624) 2.077 11.026 ( -1.709 -4.509 -0.681) 4.870 11.026 ( -1.709 -4.509 0.681) 4.870 ======================= Grid point 154 (54/60) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.000 14.311 0.000) 14.311 1.200 ( 0.000 14.311 0.000) 14.311 1.380 ( -0.000 4.533 0.000) 4.533 1.380 ( 0.000 4.533 0.000) 4.533 1.402 ( -0.000 -0.113 0.000) 0.113 1.402 ( 0.000 -0.113 0.000) 0.113 1.643 ( 0.000 1.023 0.000) 1.023 1.643 ( 0.000 1.023 0.000) 1.023 1.730 ( -0.000 2.743 0.000) 2.743 1.730 ( 0.000 2.743 0.000) 2.743 1.943 ( -0.000 -4.095 -0.000) 4.095 1.943 ( -0.000 -4.095 0.000) 4.095 1.956 ( 0.000 -0.757 -0.000) 0.757 1.956 ( 0.000 -0.757 0.000) 0.757 2.354 ( -0.000 1.346 0.000) 1.346 2.354 ( 0.000 1.346 0.000) 1.346 2.385 ( -0.000 -1.351 0.000) 1.351 2.385 ( 0.000 -1.351 0.000) 1.351 2.680 ( 0.000 -1.418 -0.000) 1.418 2.680 ( 0.000 -1.418 0.000) 1.418 2.723 ( -0.000 -0.573 -0.000) 0.573 2.723 ( -0.000 -0.573 0.000) 0.573 3.034 ( 0.000 -9.920 0.000) 9.920 3.034 ( 0.000 -9.920 0.000) 9.920 3.362 ( -0.000 -1.112 0.000) 1.112 3.362 ( 0.000 -1.112 0.000) 1.112 3.407 ( -0.000 8.669 -0.000) 8.669 3.407 ( -0.000 8.669 0.000) 8.669 3.809 ( 0.000 2.932 0.000) 2.932 3.809 ( 0.000 2.932 0.000) 2.932 3.933 ( -0.000 -2.820 0.000) 2.820 3.933 ( 0.000 -2.820 0.000) 2.820 4.342 ( -0.000 2.646 0.000) 2.646 4.342 ( 0.000 2.646 0.000) 2.646 4.997 ( 0.000 -5.782 0.000) 5.782 4.997 ( 0.000 -5.782 0.000) 5.782 5.816 ( 0.000 5.011 0.000) 5.011 5.816 ( 0.000 5.011 0.000) 5.011 6.115 ( -0.000 -1.569 0.000) 1.569 6.115 ( 0.000 -1.569 0.000) 1.569 6.151 ( 0.000 6.620 0.000) 6.620 6.151 ( 0.000 6.620 0.000) 6.620 6.272 ( 0.000 0.880 -0.000) 0.880 6.272 ( -0.000 0.880 0.000) 0.880 6.276 ( -0.000 0.479 -0.000) 0.479 6.276 ( 0.000 0.479 0.000) 0.479 6.405 ( 0.000 0.349 0.000) 0.349 6.405 ( 0.000 0.349 0.000) 0.349 6.481 ( 0.000 1.703 0.000) 1.703 6.481 ( 0.000 1.703 0.000) 1.703 6.544 ( 0.000 1.409 0.000) 1.409 6.544 ( 0.000 1.409 0.000) 1.409 6.782 ( 0.000 -0.039 0.000) 0.039 6.782 ( 0.000 -0.039 0.000) 0.039 6.928 ( 0.000 0.070 0.000) 0.070 6.928 ( 0.000 0.070 0.000) 0.070 7.185 ( 0.000 -1.567 0.000) 1.567 7.185 ( -0.000 -1.567 0.000) 1.567 7.225 ( 0.000 -1.206 -0.000) 1.206 7.225 ( 0.000 -1.206 0.000) 1.206 7.327 ( -0.000 -1.092 0.000) 1.092 7.327 ( 0.000 -1.092 0.000) 1.092 7.624 ( 0.000 -7.638 0.000) 7.638 7.624 ( 0.000 -7.638 0.000) 7.638 7.880 ( -0.000 0.155 0.000) 0.155 7.880 ( 0.000 0.155 0.000) 0.155 7.913 ( 0.000 6.690 0.000) 6.690 7.913 ( 0.000 6.690 0.000) 6.690 8.607 ( 0.000 3.069 0.000) 3.069 8.607 ( 0.000 3.069 0.000) 3.069 8.817 ( 0.000 -0.710 0.000) 0.710 8.817 ( 0.000 -0.710 0.000) 0.710 8.939 ( -0.000 6.831 0.000) 6.831 8.939 ( 0.000 6.831 0.000) 6.831 9.649 ( -0.000 -2.785 0.000) 2.785 9.649 ( 0.000 -2.785 0.000) 2.785 9.769 ( 0.000 -0.010 0.000) 0.010 9.769 ( 0.000 -0.010 0.000) 0.010 9.995 ( 0.000 -1.881 0.000) 1.881 9.995 ( 0.000 -1.881 0.000) 1.881 10.571 ( -0.000 0.416 0.000) 0.416 10.571 ( 0.000 0.416 0.000) 0.416 11.005 ( -0.000 -4.195 0.000) 4.195 11.005 ( 0.000 -4.195 0.000) 4.195 ======================= Grid point 160 (55/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.000 3.870 -4.234) 5.736 1.372 ( 0.000 3.870 4.234) 5.736 1.458 ( 0.000 2.769 -1.742) 3.271 1.458 ( 0.000 2.769 1.742) 3.271 1.533 ( 0.000 3.465 -3.778) 5.126 1.533 ( 0.000 3.465 3.778) 5.126 1.649 ( 0.000 3.875 -0.548) 3.914 1.649 ( 0.000 3.875 0.548) 3.914 1.770 ( 0.000 5.125 -7.084) 8.743 1.770 ( 0.000 5.125 7.084) 8.743 1.913 ( 0.000 0.428 -1.104) 1.184 1.913 ( 0.000 0.428 1.104) 1.184 2.149 ( 0.000 2.067 -4.334) 4.802 2.149 ( 0.000 2.067 4.334) 4.802 2.199 ( 0.000 -2.868 -2.125) 3.569 2.199 ( 0.000 -2.868 2.125) 3.569 2.313 ( 0.000 2.184 -5.934) 6.323 2.313 ( 0.000 2.184 5.934) 6.323 2.578 ( 0.000 -6.425 -3.722) 7.425 2.578 ( 0.000 -6.425 3.722) 7.425 2.717 ( 0.000 -3.357 -1.077) 3.526 2.717 ( 0.000 -3.357 1.077) 3.526 3.012 ( 0.000 -5.060 -7.915) 9.394 3.012 ( 0.000 -5.060 7.915) 9.394 3.286 ( 0.000 4.598 -4.441) 6.393 3.286 ( 0.000 4.598 4.441) 6.393 3.567 ( 0.000 1.251 -10.856) 10.928 3.567 ( 0.000 1.251 10.856) 10.928 3.737 ( 0.000 0.958 -16.475) 16.503 3.737 ( 0.000 0.958 16.475) 16.503 4.003 ( 0.000 -0.307 -2.943) 2.959 4.003 ( 0.000 -0.307 2.943) 2.959 4.401 ( 0.000 2.992 -3.023) 4.253 4.401 ( 0.000 2.992 3.023) 4.253 4.848 ( 0.000 -6.724 -0.609) 6.751 4.848 ( 0.000 -6.724 0.609) 6.751 5.896 ( 0.000 4.945 -0.009) 4.945 5.896 ( 0.000 4.945 0.009) 4.945 6.097 ( 0.000 -2.168 -1.728) 2.772 6.097 ( 0.000 -2.168 1.728) 2.772 6.254 ( 0.000 2.394 -1.446) 2.797 6.254 ( 0.000 2.394 1.446) 2.797 6.268 ( 0.000 -0.752 -1.021) 1.267 6.268 ( 0.000 -0.752 1.021) 1.267 6.348 ( 0.000 6.119 -0.748) 6.164 6.348 ( 0.000 6.119 0.748) 6.164 6.421 ( 0.000 2.429 -1.334) 2.771 6.421 ( 0.000 2.429 1.334) 2.771 6.509 ( 0.000 4.079 -4.071) 5.763 6.509 ( 0.000 4.079 4.071) 5.763 6.602 ( 0.000 3.077 -0.688) 3.153 6.602 ( 0.000 3.077 0.688) 3.153 6.739 ( 0.000 -2.172 -0.191) 2.181 6.739 ( 0.000 -2.172 0.191) 2.181 6.958 ( 0.000 0.525 -0.000) 0.525 6.958 ( 0.000 0.525 0.000) 0.525 7.127 ( 0.000 -0.401 -2.180) 2.216 7.127 ( 0.000 -0.401 2.180) 2.216 7.232 ( 0.000 -2.028 -1.152) 2.332 7.232 ( 0.000 -2.028 1.152) 2.332 7.296 ( 0.000 -1.913 -0.034) 1.913 7.296 ( 0.000 -1.913 0.034) 1.913 7.510 ( 0.000 -6.453 -0.264) 6.459 7.510 ( 0.000 -6.453 0.264) 6.459 7.845 ( 0.000 0.411 -3.813) 3.835 7.845 ( 0.000 0.411 3.813) 3.835 8.016 ( 0.000 4.231 -0.038) 4.231 8.016 ( 0.000 4.231 0.038) 4.231 8.680 ( 0.000 2.745 -0.664) 2.824 8.680 ( 0.000 2.745 0.664) 2.824 8.880 ( 0.000 1.989 -1.587) 2.545 8.880 ( 0.000 1.989 1.587) 2.545 9.015 ( 0.000 6.978 -1.065) 7.059 9.015 ( 0.000 6.978 1.065) 7.059 9.606 ( 0.000 -4.610 -1.527) 4.856 9.606 ( 0.000 -4.610 1.527) 4.856 9.769 ( 0.000 0.611 -0.004) 0.611 9.769 ( 0.000 0.611 0.004) 0.611 9.938 ( 0.000 -3.306 -4.461) 5.552 9.938 ( 0.000 -3.306 4.461) 5.552 10.571 ( 0.000 3.442 -1.089) 3.611 10.571 ( 0.000 3.442 1.089) 3.611 10.928 ( 0.000 -7.457 -1.507) 7.608 10.928 ( 0.000 -7.457 1.507) 7.608 ======================= Grid point 162 (56/60) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.530 3.827 -2.166) 4.429 1.377 ( 0.530 3.827 2.166) 4.429 1.440 ( -2.159 1.050 -3.119) 3.936 1.440 ( -2.159 1.050 3.119) 3.936 1.514 ( -0.958 6.704 -2.860) 7.351 1.514 ( -0.958 6.704 2.860) 7.351 1.657 ( 0.895 2.775 -1.906) 3.483 1.657 ( 0.895 2.775 1.906) 3.483 1.780 ( 1.128 3.089 -8.198) 8.833 1.780 ( 1.128 3.089 8.198) 8.833 1.898 ( -2.131 -1.593 -7.037) 7.523 1.898 ( -2.131 -1.593 7.037) 7.523 2.028 ( -6.368 2.407 -1.813) 7.045 2.028 ( -6.368 2.407 1.813) 7.045 2.285 ( 4.942 -1.082 -1.678) 5.330 2.285 ( 4.942 -1.082 1.678) 5.330 2.375 ( 3.551 2.562 -4.137) 6.024 2.375 ( 3.551 2.562 4.137) 6.024 2.597 ( 2.537 -5.208 -3.803) 6.930 2.597 ( 2.537 -5.208 3.803) 6.930 2.710 ( -0.571 -2.521 -1.773) 3.135 2.710 ( -0.571 -2.521 1.773) 3.135 2.943 ( -6.047 -6.120 -6.128) 10.563 2.943 ( -6.047 -6.120 6.128) 10.563 3.331 ( 3.709 3.637 -4.981) 7.197 3.331 ( 3.709 3.637 4.981) 7.197 3.556 ( -1.271 3.291 -4.695) 5.872 3.556 ( -1.271 3.291 4.695) 5.872 3.769 ( 3.411 -0.350 -8.442) 9.112 3.769 ( 3.411 -0.350 8.442) 9.112 3.960 ( -4.234 -0.796 -3.580) 5.602 3.960 ( -4.234 -0.796 3.580) 5.602 4.410 ( 0.688 4.238 -3.006) 5.241 4.410 ( 0.688 4.238 3.006) 5.241 4.852 ( 0.377 -7.747 -1.336) 7.870 4.852 ( 0.377 -7.747 1.336) 7.870 5.904 ( 0.712 4.927 -0.186) 4.981 5.904 ( 0.712 4.927 0.186) 4.981 6.090 ( -0.578 -1.984 -1.343) 2.465 6.090 ( -0.578 -1.984 1.343) 2.465 6.244 ( -0.730 1.310 -0.711) 1.660 6.244 ( -0.730 1.310 0.711) 1.660 6.272 ( 0.293 -0.277 -1.128) 1.198 6.272 ( 0.293 -0.277 1.128) 1.198 6.355 ( 0.513 7.071 -0.768) 7.131 6.355 ( 0.513 7.071 0.768) 7.131 6.421 ( -0.065 2.003 -0.570) 2.083 6.421 ( -0.065 2.003 0.570) 2.083 6.514 ( 0.567 3.554 -3.201) 4.817 6.514 ( 0.567 3.554 3.201) 4.817 6.594 ( -0.700 2.714 -0.591) 2.864 6.594 ( -0.700 2.714 0.591) 2.864 6.761 ( 1.913 -0.822 -0.038) 2.082 6.761 ( 1.913 -0.822 0.038) 2.082 6.940 ( -1.607 -0.242 -0.263) 1.646 6.940 ( -1.607 -0.242 0.263) 1.646 7.138 ( 1.084 -0.746 -1.940) 2.344 7.138 ( 1.084 -0.746 1.940) 2.344 7.218 ( -1.330 -1.912 -1.333) 2.684 7.218 ( -1.330 -1.912 1.333) 2.684 7.302 ( 0.483 -1.300 -0.033) 1.388 7.302 ( 0.483 -1.300 0.033) 1.388 7.498 ( -0.928 -6.608 -0.703) 6.709 7.498 ( -0.928 -6.608 0.703) 6.709 7.870 ( 2.133 0.966 -2.796) 3.647 7.870 ( 2.133 0.966 2.796) 3.647 8.011 ( -0.425 3.655 -0.244) 3.687 8.011 ( -0.425 3.655 0.244) 3.687 8.678 ( -0.116 3.310 -0.534) 3.354 8.678 ( -0.116 3.310 0.534) 3.354 8.837 ( -2.901 0.631 -0.824) 3.081 8.837 ( -2.901 0.631 0.824) 3.081 9.061 ( 3.236 8.353 -0.564) 8.975 9.061 ( 3.236 8.353 0.564) 8.975 9.589 ( -1.411 -5.012 -1.059) 5.313 9.589 ( -1.411 -5.012 1.059) 5.313 9.773 ( 0.295 0.773 -0.076) 0.831 9.773 ( 0.295 0.773 0.076) 0.831 9.941 ( 0.227 -3.425 -3.100) 4.625 9.941 ( 0.227 -3.425 3.100) 4.625 10.582 ( 0.946 2.905 -0.694) 3.133 10.582 ( 0.946 2.905 0.694) 3.133 10.915 ( -1.139 -7.061 -1.161) 7.246 10.915 ( -1.139 -7.061 1.161) 7.246 ======================= Grid point 164 (57/60) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.000 3.706 0.000) 3.706 1.389 ( -0.000 3.706 0.000) 3.706 1.404 ( -0.000 0.530 0.000) 0.530 1.404 ( 0.000 0.530 0.000) 0.530 1.508 ( 0.000 8.884 0.000) 8.884 1.508 ( 0.000 8.884 0.000) 8.884 1.671 ( 0.000 1.639 0.000) 1.639 1.671 ( 0.000 1.639 0.000) 1.639 1.813 ( -0.000 2.260 0.000) 2.260 1.813 ( 0.000 2.260 0.000) 2.260 1.839 ( 0.000 -6.327 -0.000) 6.327 1.839 ( -0.000 -6.327 -0.000) 6.327 1.971 ( 0.000 6.272 0.000) 6.272 1.971 ( 0.000 6.272 0.000) 6.272 2.350 ( -0.000 -2.390 0.000) 2.390 2.350 ( 0.000 -2.390 0.000) 2.390 2.395 ( 0.000 3.065 0.000) 3.065 2.395 ( 0.000 3.065 0.000) 3.065 2.651 ( -0.000 -1.100 0.000) 1.100 2.651 ( 0.000 -1.100 0.000) 1.100 2.702 ( 0.000 -2.009 -0.000) 2.009 2.702 ( 0.000 -2.009 0.000) 2.009 2.856 ( 0.000 -9.129 0.000) 9.129 2.856 ( 0.000 -9.129 0.000) 9.129 3.378 ( -0.000 3.065 0.000) 3.065 3.378 ( 0.000 3.065 0.000) 3.065 3.535 ( -0.000 4.581 0.000) 4.581 3.535 ( 0.000 4.581 0.000) 4.581 3.850 ( 0.000 1.127 0.000) 1.127 3.850 ( 0.000 1.127 0.000) 1.127 3.870 ( -0.000 -3.353 -0.000) 3.353 3.870 ( -0.000 -3.353 0.000) 3.353 4.417 ( 0.000 5.408 0.000) 5.408 4.417 ( -0.000 5.408 0.000) 5.408 4.857 ( 0.000 -8.754 0.000) 8.754 4.857 ( 0.000 -8.754 0.000) 8.754 5.913 ( 0.000 4.934 0.000) 4.934 5.913 ( 0.000 4.934 0.000) 4.934 6.083 ( 0.000 -1.827 0.000) 1.827 6.083 ( 0.000 -1.827 0.000) 1.827 6.236 ( 0.000 0.900 0.000) 0.900 6.236 ( 0.000 0.900 0.000) 0.900 6.276 ( 0.000 -0.628 0.000) 0.628 6.276 ( 0.000 -0.628 0.000) 0.628 6.361 ( 0.000 8.383 0.000) 8.383 6.361 ( 0.000 8.383 0.000) 8.383 6.419 ( -0.000 1.392 0.000) 1.392 6.419 ( 0.000 1.392 0.000) 1.392 6.523 ( 0.000 2.971 0.000) 2.971 6.523 ( 0.000 2.971 0.000) 2.971 6.585 ( 0.000 2.638 0.000) 2.638 6.585 ( 0.000 2.638 0.000) 2.638 6.786 ( 0.000 0.624 0.000) 0.624 6.786 ( 0.000 0.624 0.000) 0.624 6.919 ( -0.000 -1.339 0.000) 1.339 6.919 ( 0.000 -1.339 0.000) 1.339 7.157 ( 0.000 -1.117 0.000) 1.117 7.157 ( 0.000 -1.117 0.000) 1.117 7.196 ( 0.000 -1.777 0.000) 1.777 7.196 ( 0.000 -1.777 0.000) 1.777 7.308 ( -0.000 -0.627 0.000) 0.627 7.308 ( 0.000 -0.627 0.000) 0.627 7.487 ( 0.000 -6.867 0.000) 6.867 7.487 ( 0.000 -6.867 0.000) 6.867 7.896 ( 0.000 1.859 0.000) 1.859 7.896 ( 0.000 1.859 0.000) 1.859 8.005 ( -0.000 2.777 0.000) 2.777 8.005 ( 0.000 2.777 0.000) 2.777 8.677 ( 0.000 4.047 0.000) 4.047 8.677 ( 0.000 4.047 0.000) 4.047 8.806 ( 0.000 -0.667 0.000) 0.667 8.806 ( 0.000 -0.667 0.000) 0.667 9.097 ( -0.000 9.610 0.000) 9.610 9.097 ( 0.000 9.610 0.000) 9.610 9.571 ( 0.000 -5.534 0.000) 5.534 9.571 ( 0.000 -5.534 0.000) 5.534 9.776 ( 0.000 0.923 0.000) 0.923 9.776 ( 0.000 0.923 0.000) 0.923 9.943 ( 0.000 -3.532 0.000) 3.532 9.943 ( 0.000 -3.532 0.000) 3.532 10.594 ( -0.000 2.329 0.000) 2.329 10.594 ( 0.000 2.329 0.000) 2.329 10.901 ( -0.000 -6.626 0.000) 6.626 10.901 ( 0.000 -6.626 0.000) 6.626 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.000 2.536 -3.859) 4.618 1.427 ( 0.000 2.536 3.859) 4.618 1.472 ( 0.000 -0.626 -2.791) 2.860 1.472 ( 0.000 -0.626 2.791) 2.860 1.594 ( 0.000 2.014 -0.275) 2.033 1.594 ( 0.000 2.014 0.275) 2.033 1.632 ( 0.000 -2.920 -1.381) 3.230 1.632 ( 0.000 -2.920 1.381) 3.230 1.835 ( 0.000 3.165 -1.378) 3.452 1.835 ( 0.000 3.165 1.378) 3.452 1.948 ( 0.000 -0.774 -1.355) 1.560 1.948 ( 0.000 -0.774 1.355) 1.560 2.182 ( 0.000 1.549 -0.821) 1.753 2.182 ( 0.000 1.549 0.821) 1.753 2.193 ( 0.000 1.377 -0.318) 1.414 2.193 ( 0.000 1.377 0.318) 1.414 2.364 ( 0.000 2.802 -5.832) 6.470 2.364 ( 0.000 2.802 5.832) 6.470 2.525 ( 0.000 1.122 -4.512) 4.650 2.525 ( 0.000 1.122 4.512) 4.650 2.621 ( 0.000 -6.478 -0.383) 6.489 2.621 ( 0.000 -6.478 0.383) 6.489 2.949 ( 0.000 -1.558 -2.477) 2.926 2.949 ( 0.000 -1.558 2.477) 2.926 3.379 ( 0.000 4.640 -8.178) 9.402 3.379 ( 0.000 4.640 8.178) 9.402 3.522 ( 0.000 -4.005 -12.306) 12.942 3.522 ( 0.000 -4.005 12.306) 12.942 3.796 ( 0.000 3.389 -5.010) 6.048 3.796 ( 0.000 3.389 5.010) 6.048 3.969 ( 0.000 -2.377 -0.053) 2.377 3.969 ( 0.000 -2.377 0.053) 2.377 4.462 ( 0.000 2.643 -1.851) 3.226 4.462 ( 0.000 2.643 1.851) 3.226 4.742 ( 0.000 -3.777 -0.693) 3.840 4.742 ( 0.000 -3.777 0.693) 3.840 5.974 ( 0.000 3.103 -0.526) 3.147 5.974 ( 0.000 3.103 0.526) 3.147 6.056 ( 0.000 -1.981 -1.252) 2.344 6.056 ( 0.000 -1.981 1.252) 2.344 6.253 ( 0.000 -0.590 -0.379) 0.702 6.253 ( 0.000 -0.590 0.379) 0.702 6.264 ( 0.000 0.014 -0.151) 0.152 6.264 ( 0.000 0.014 0.151) 0.152 6.438 ( 0.000 2.851 -0.147) 2.855 6.438 ( 0.000 2.851 0.147) 2.855 6.458 ( 0.000 0.733 -0.280) 0.784 6.458 ( 0.000 0.733 0.280) 0.784 6.601 ( 0.000 4.000 -1.391) 4.235 6.601 ( 0.000 4.000 1.391) 4.235 6.645 ( 0.000 1.301 -0.444) 1.375 6.645 ( 0.000 1.301 0.444) 1.375 6.703 ( 0.000 -1.331 -0.677) 1.493 6.703 ( 0.000 -1.331 0.677) 1.493 6.959 ( 0.000 -0.241 -0.153) 0.286 6.959 ( 0.000 -0.241 0.153) 0.286 7.133 ( 0.000 0.704 -0.441) 0.831 7.133 ( 0.000 0.704 0.441) 0.831 7.203 ( 0.000 -0.958 -0.110) 0.965 7.203 ( 0.000 -0.958 0.110) 0.965 7.266 ( 0.000 -0.954 -0.067) 0.956 7.266 ( 0.000 -0.954 0.067) 0.956 7.415 ( 0.000 -3.108 -0.175) 3.113 7.415 ( 0.000 -3.108 0.175) 3.113 7.863 ( 0.000 1.014 -1.651) 1.938 7.863 ( 0.000 1.014 1.651) 1.938 8.060 ( 0.000 0.823 -0.233) 0.855 8.060 ( 0.000 0.823 0.233) 0.855 8.712 ( 0.000 0.779 -0.625) 0.999 8.712 ( 0.000 0.779 0.625) 0.999 8.914 ( 0.000 1.210 -0.845) 1.476 8.914 ( 0.000 1.210 0.845) 1.476 9.126 ( 0.000 3.966 -0.021) 3.966 9.126 ( 0.000 3.966 0.021) 3.966 9.527 ( 0.000 -3.010 -0.870) 3.133 9.527 ( 0.000 -3.010 0.870) 3.133 9.791 ( 0.000 1.603 -1.070) 1.927 9.791 ( 0.000 1.603 1.070) 1.927 9.875 ( 0.000 -2.866 -2.759) 3.978 9.875 ( 0.000 -2.866 2.759) 3.978 10.658 ( 0.000 5.869 -1.544) 6.069 10.658 ( 0.000 5.869 1.544) 6.069 10.785 ( 0.000 -7.551 -1.810) 7.765 10.785 ( 0.000 -7.551 1.810) 7.765 ======================= Grid point 172 (59/60) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.251 1.646 -2.725) 3.194 1.423 ( -0.251 1.646 2.725) 3.194 1.449 ( -1.936 0.299 -3.082) 3.652 1.449 ( -1.936 0.299 3.082) 3.652 1.603 ( 0.774 2.518 -0.720) 2.731 1.603 ( 0.774 2.518 0.720) 2.731 1.644 ( 1.247 -2.663 -2.469) 3.840 1.644 ( 1.247 -2.663 2.469) 3.840 1.794 ( -2.997 0.483 -3.592) 4.703 1.794 ( -2.997 0.483 3.592) 4.703 1.874 ( -6.095 -1.328 -2.874) 6.868 1.874 ( -6.095 -1.328 2.874) 6.868 2.160 ( 0.000 7.931 -1.175) 8.018 2.160 ( 0.000 7.931 1.175) 8.018 2.256 ( 3.444 -2.396 -0.412) 4.215 2.256 ( 3.444 -2.396 0.412) 4.215 2.435 ( 4.825 3.541 -5.208) 7.934 2.435 ( 4.825 3.541 5.208) 7.934 2.543 ( 2.892 -0.381 -7.371) 7.928 2.543 ( 2.892 -0.381 7.371) 7.928 2.628 ( 0.653 -5.731 -2.147) 6.155 2.628 ( 0.653 -5.731 2.147) 6.155 2.864 ( -7.939 -2.091 -2.313) 8.529 2.864 ( -7.939 -2.091 2.313) 8.529 3.416 ( 3.325 4.486 -6.508) 8.575 3.416 ( 3.325 4.486 6.508) 8.575 3.548 ( 1.518 -2.955 -9.233) 9.812 3.548 ( 1.518 -2.955 9.233) 9.812 3.793 ( 0.548 2.091 -3.027) 3.720 3.793 ( 0.548 2.091 3.027) 3.720 3.931 ( -3.785 -1.728 -2.533) 4.871 3.931 ( -3.785 -1.728 2.533) 4.871 4.496 ( 3.046 4.116 -1.990) 5.493 4.496 ( 3.046 4.116 1.990) 5.493 4.720 ( -2.051 -5.400 -1.152) 5.890 4.720 ( -2.051 -5.400 1.152) 5.890 5.982 ( 0.731 3.210 -0.467) 3.325 5.982 ( 0.731 3.210 0.467) 3.325 6.052 ( -0.441 -2.049 -1.020) 2.331 6.052 ( -0.441 -2.049 1.020) 2.331 6.248 ( -0.406 -0.054 -0.758) 0.862 6.248 ( -0.406 -0.054 0.758) 0.862 6.261 ( -0.290 -0.514 -0.862) 1.045 6.261 ( -0.290 -0.514 0.862) 1.045 6.443 ( 0.433 2.320 -0.212) 2.369 6.443 ( 0.433 2.320 0.212) 2.369 6.458 ( -0.006 0.871 -0.552) 1.031 6.458 ( -0.006 0.871 0.552) 1.031 6.599 ( -0.155 4.123 -0.904) 4.224 6.599 ( -0.155 4.123 0.904) 4.224 6.629 ( -0.663 0.670 -0.356) 1.008 6.629 ( -0.663 0.670 0.356) 1.008 6.754 ( 3.948 0.045 -0.417) 3.971 6.754 ( 3.948 0.045 0.417) 3.971 6.926 ( -3.050 -0.839 -0.214) 3.170 6.926 ( -3.050 -0.839 0.214) 3.170 7.136 ( 0.440 0.310 -0.577) 0.789 7.136 ( 0.440 0.310 0.577) 0.789 7.189 ( -1.342 -1.034 -0.416) 1.745 7.189 ( -1.342 -1.034 0.416) 1.745 7.288 ( 1.951 -0.071 -0.106) 1.956 7.288 ( 1.951 -0.071 0.106) 1.956 7.400 ( -1.443 -3.381 -0.313) 3.689 7.400 ( -1.443 -3.381 0.313) 3.689 7.899 ( 3.301 1.485 -1.385) 3.876 7.899 ( 3.301 1.485 1.385) 3.876 8.043 ( -1.772 0.225 -0.414) 1.833 8.043 ( -1.772 0.225 0.414) 1.833 8.721 ( 1.059 1.174 -0.579) 1.684 8.721 ( 1.059 1.174 0.579) 1.684 8.850 ( -4.721 0.535 -0.619) 4.792 8.850 ( -4.721 0.535 0.619) 4.792 9.203 ( 5.908 5.606 -0.348) 8.152 9.203 ( 5.908 5.606 0.348) 8.152 9.493 ( -3.151 -4.244 -0.721) 5.335 9.493 ( -3.151 -4.244 0.721) 5.335 9.800 ( 0.711 2.050 -0.922) 2.357 9.800 ( 0.711 2.050 0.922) 2.357 9.874 ( -0.153 -3.305 -2.113) 3.926 9.874 ( -0.153 -3.305 2.113) 3.926 10.660 ( 0.169 5.436 -1.071) 5.543 10.660 ( 0.169 5.436 1.071) 5.543 10.780 ( -0.502 -7.160 -1.319) 7.298 10.780 ( -0.502 -7.160 1.319) 7.298 ======================= Grid point 174 (60/60) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -0.000 1.049 -0.000) 1.049 1.422 ( 0.000 1.049 0.000) 1.049 1.424 ( 0.000 0.967 -0.000) 0.967 1.424 ( 0.000 0.967 0.000) 0.967 1.614 ( 0.000 2.691 0.000) 2.691 1.614 ( 0.000 2.691 0.000) 2.691 1.663 ( -0.000 -3.019 0.000) 3.019 1.663 ( 0.000 -3.019 0.000) 3.019 1.769 ( -0.000 -0.037 0.000) 0.037 1.769 ( 0.000 -0.037 0.000) 0.037 1.791 ( -0.000 -1.849 -0.000) 1.849 1.791 ( 0.000 -1.849 0.000) 1.849 2.165 ( 0.000 10.123 0.000) 10.123 2.165 ( 0.000 10.123 0.000) 10.123 2.292 ( 0.000 -4.230 0.000) 4.230 2.292 ( 0.000 -4.230 0.000) 4.230 2.475 ( 0.000 6.139 0.000) 6.139 2.475 ( 0.000 6.139 0.000) 6.139 2.618 ( 0.000 -7.646 -0.000) 7.646 2.618 ( 0.000 -7.646 0.000) 7.646 2.659 ( 0.000 2.047 -0.000) 2.047 2.659 ( -0.000 2.047 0.000) 2.047 2.720 ( -0.000 -4.770 0.000) 4.770 2.720 ( 0.000 -4.770 0.000) 4.770 3.464 ( -0.000 5.545 0.000) 5.545 3.464 ( 0.000 5.545 0.000) 5.545 3.552 ( -0.000 -2.829 0.000) 2.829 3.552 ( 0.000 -2.829 0.000) 2.829 3.837 ( -0.000 0.110 0.000) 0.110 3.837 ( -0.000 0.110 0.000) 0.110 3.852 ( 0.000 -0.746 0.000) 0.746 3.852 ( 0.000 -0.746 0.000) 0.746 4.538 ( 0.000 7.432 0.000) 7.432 4.538 ( 0.000 7.432 0.000) 7.432 4.690 ( 0.000 -8.838 0.000) 8.838 4.690 ( 0.000 -8.838 0.000) 8.838 5.992 ( 0.000 3.527 0.000) 3.527 5.992 ( 0.000 3.527 0.000) 3.527 6.045 ( 0.000 -2.315 0.000) 2.315 6.045 ( 0.000 -2.315 0.000) 2.315 6.243 ( 0.000 0.455 0.000) 0.455 6.243 ( 0.000 0.455 0.000) 0.455 6.257 ( 0.000 -1.043 0.000) 1.043 6.257 ( 0.000 -1.043 0.000) 1.043 6.450 ( 0.000 1.468 0.000) 1.468 6.450 ( 0.000 1.468 0.000) 1.468 6.457 ( 0.000 1.401 -0.000) 1.401 6.457 ( 0.000 1.401 0.000) 1.401 6.598 ( 0.000 3.933 0.000) 3.933 6.598 ( 0.000 3.933 0.000) 3.933 6.624 ( 0.000 0.972 -0.000) 0.972 6.624 ( 0.000 0.972 0.000) 0.972 6.814 ( 0.000 2.610 0.000) 2.610 6.814 ( 0.000 2.610 0.000) 2.610 6.875 ( -0.000 -3.270 0.000) 3.270 6.875 ( 0.000 -3.270 0.000) 3.270 7.149 ( 0.000 0.283 0.000) 0.283 7.149 ( 0.000 0.283 0.000) 0.283 7.165 ( -0.000 -1.388 0.000) 1.388 7.165 ( 0.000 -1.388 0.000) 1.388 7.316 ( 0.000 1.785 0.000) 1.785 7.316 ( 0.000 1.785 0.000) 1.785 7.377 ( -0.000 -4.763 0.000) 4.763 7.377 ( 0.000 -4.763 0.000) 4.763 7.950 ( 0.000 3.644 0.000) 3.644 7.950 ( 0.000 3.644 0.000) 3.644 8.010 ( -0.000 -2.046 0.000) 2.046 8.010 ( 0.000 -2.046 0.000) 2.046 8.745 ( 0.000 3.054 0.000) 3.054 8.745 ( 0.000 3.054 0.000) 3.054 8.787 ( 0.000 -1.512 0.000) 1.512 8.787 ( 0.000 -1.512 0.000) 1.512 9.279 ( -0.000 9.658 0.000) 9.658 9.279 ( 0.000 9.658 0.000) 9.658 9.445 ( 0.000 -7.997 0.000) 7.997 9.445 ( 0.000 -7.997 0.000) 7.997 9.809 ( 0.000 2.662 0.000) 2.662 9.809 ( 0.000 2.662 0.000) 2.662 9.872 ( 0.000 -3.910 0.000) 3.910 9.872 ( 0.000 -3.910 0.000) 3.910 10.662 ( 0.000 4.974 0.000) 4.974 10.662 ( 0.000 4.974 0.000) 4.974 10.773 ( -0.000 -6.740 0.000) 6.740 10.773 ( 0.000 -6.740 0.000) 6.740 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/18816 10.0 727.509 759.660 614.317 0.000 0.000 -0.000 3/18816 20.0 111.737 157.531 127.583 0.000 0.000 -0.000 3/18816 30.0 50.463 72.126 58.160 0.000 0.000 -0.000 3/18816 40.0 31.287 44.402 36.027 0.000 0.000 -0.000 3/18816 50.0 22.155 31.276 25.573 0.000 0.000 -0.000 3/18816 60.0 16.868 23.737 19.533 0.000 0.000 -0.000 3/18816 70.0 13.469 18.919 15.638 0.000 0.000 -0.000 3/18816 80.0 11.136 15.623 12.950 0.000 0.000 -0.000 3/18816 90.0 9.456 13.256 11.005 0.000 0.000 -0.000 3/18816 100.0 8.200 11.489 9.545 0.000 0.000 -0.000 3/18816 110.0 7.231 10.130 8.417 0.000 0.000 -0.000 3/18816 120.0 6.465 9.055 7.522 0.000 0.000 -0.000 3/18816 130.0 5.845 8.187 6.797 0.000 0.000 -0.000 3/18816 140.0 5.335 7.472 6.200 0.000 0.000 -0.000 3/18816 150.0 4.907 6.874 5.700 0.000 0.000 -0.000 3/18816 160.0 4.544 6.367 5.275 0.000 0.000 -0.000 3/18816 170.0 4.232 5.931 4.910 0.000 0.000 -0.000 3/18816 180.0 3.961 5.552 4.593 0.000 0.000 -0.000 3/18816 190.0 3.724 5.220 4.316 0.000 0.000 -0.000 3/18816 200.0 3.514 4.927 4.071 0.000 0.000 -0.000 3/18816 210.0 3.327 4.665 3.853 0.000 0.000 -0.000 3/18816 220.0 3.159 4.431 3.657 0.000 0.000 -0.000 3/18816 230.0 3.008 4.220 3.481 0.000 0.000 -0.000 3/18816 240.0 2.871 4.029 3.322 0.000 0.000 -0.000 3/18816 250.0 2.747 3.854 3.177 0.000 0.000 -0.000 3/18816 260.0 2.632 3.695 3.044 0.000 0.000 -0.000 3/18816 270.0 2.528 3.548 2.922 0.000 0.000 -0.000 3/18816 280.0 2.431 3.413 2.810 0.000 0.000 -0.000 3/18816 290.0 2.342 3.288 2.706 0.000 0.000 -0.000 3/18816 300.0 2.259 3.172 2.610 0.000 0.000 -0.000 3/18816 310.0 2.182 3.064 2.521 0.000 0.000 -0.000 3/18816 320.0 2.110 2.964 2.437 0.000 0.000 -0.000 3/18816 330.0 2.043 2.870 2.359 0.000 0.000 -0.000 3/18816 340.0 1.980 2.782 2.286 0.000 0.000 -0.000 3/18816 350.0 1.921 2.699 2.218 0.000 0.000 -0.000 3/18816 360.0 1.865 2.621 2.153 0.000 0.000 -0.000 3/18816 370.0 1.813 2.547 2.093 0.000 0.000 -0.000 3/18816 380.0 1.763 2.478 2.035 0.000 0.000 -0.000 3/18816 390.0 1.717 2.412 1.981 0.000 0.000 -0.000 3/18816 400.0 1.672 2.350 1.930 0.000 0.000 -0.000 3/18816 410.0 1.630 2.291 1.881 0.000 0.000 -0.000 3/18816 420.0 1.590 2.235 1.835 0.000 0.000 -0.000 3/18816 430.0 1.552 2.182 1.791 0.000 0.000 -0.000 3/18816 440.0 1.516 2.131 1.749 0.000 0.000 -0.000 3/18816 450.0 1.481 2.082 1.709 0.000 0.000 -0.000 3/18816 460.0 1.448 2.036 1.670 0.000 0.000 -0.000 3/18816 470.0 1.417 1.992 1.634 0.000 0.000 -0.000 3/18816 480.0 1.386 1.949 1.599 0.000 0.000 -0.000 3/18816 490.0 1.357 1.909 1.566 0.000 0.000 -0.000 3/18816 500.0 1.330 1.870 1.533 0.000 0.000 -0.000 3/18816 510.0 1.303 1.832 1.503 0.000 0.000 -0.000 3/18816 520.0 1.277 1.796 1.473 0.000 0.000 -0.000 3/18816 530.0 1.253 1.762 1.445 0.000 0.000 -0.000 3/18816 540.0 1.229 1.729 1.417 0.000 0.000 -0.000 3/18816 550.0 1.207 1.697 1.391 0.000 0.000 -0.000 3/18816 560.0 1.185 1.666 1.366 0.000 0.000 -0.000 3/18816 570.0 1.163 1.636 1.342 0.000 0.000 -0.000 3/18816 580.0 1.143 1.608 1.318 0.000 0.000 -0.000 3/18816 590.0 1.123 1.580 1.295 0.000 0.000 -0.000 3/18816 600.0 1.104 1.553 1.273 0.000 0.000 -0.000 3/18816 610.0 1.086 1.528 1.252 0.000 0.000 -0.000 3/18816 620.0 1.068 1.503 1.232 0.000 0.000 -0.000 3/18816 630.0 1.051 1.479 1.212 0.000 0.000 -0.000 3/18816 640.0 1.034 1.455 1.193 0.000 0.000 -0.000 3/18816 650.0 1.018 1.433 1.174 0.000 0.000 -0.000 3/18816 660.0 1.003 1.411 1.156 0.000 0.000 -0.000 3/18816 670.0 0.988 1.389 1.138 0.000 0.000 -0.000 3/18816 680.0 0.973 1.369 1.122 0.000 0.000 -0.000 3/18816 690.0 0.959 1.349 1.105 0.000 0.000 -0.000 3/18816 700.0 0.945 1.329 1.089 0.000 0.000 -0.000 3/18816 710.0 0.931 1.310 1.074 0.000 0.000 -0.000 3/18816 720.0 0.918 1.292 1.059 0.000 0.000 -0.000 3/18816 730.0 0.906 1.274 1.044 0.000 0.000 -0.000 3/18816 740.0 0.893 1.257 1.030 0.000 0.000 -0.000 3/18816 750.0 0.881 1.240 1.016 0.000 0.000 -0.000 3/18816 760.0 0.870 1.223 1.002 0.000 0.000 -0.000 3/18816 770.0 0.858 1.207 0.989 0.000 0.000 -0.000 3/18816 780.0 0.847 1.192 0.976 0.000 0.000 -0.000 3/18816 790.0 0.836 1.177 0.964 0.000 0.000 -0.000 3/18816 800.0 0.826 1.162 0.952 0.000 0.000 -0.000 3/18816 810.0 0.815 1.147 0.940 0.000 0.000 -0.000 3/18816 820.0 0.805 1.133 0.928 0.000 0.000 -0.000 3/18816 830.0 0.796 1.120 0.917 0.000 0.000 -0.000 3/18816 840.0 0.786 1.106 0.906 0.000 0.000 -0.000 3/18816 850.0 0.777 1.093 0.895 0.000 0.000 -0.000 3/18816 860.0 0.768 1.080 0.885 0.000 0.000 -0.000 3/18816 870.0 0.759 1.068 0.875 0.000 0.000 -0.000 3/18816 880.0 0.750 1.056 0.865 0.000 0.000 -0.000 3/18816 890.0 0.742 1.044 0.855 0.000 0.000 -0.000 3/18816 900.0 0.733 1.032 0.845 0.000 0.000 -0.000 3/18816 910.0 0.725 1.021 0.836 0.000 0.000 -0.000 3/18816 920.0 0.717 1.009 0.827 0.000 0.000 -0.000 3/18816 930.0 0.710 0.999 0.818 0.000 0.000 -0.000 3/18816 940.0 0.702 0.988 0.809 0.000 0.000 -0.000 3/18816 950.0 0.695 0.977 0.800 0.000 0.000 -0.000 3/18816 960.0 0.687 0.967 0.792 0.000 0.000 -0.000 3/18816 970.0 0.680 0.957 0.784 0.000 0.000 -0.000 3/18816 980.0 0.673 0.947 0.776 0.000 0.000 -0.000 3/18816 990.0 0.666 0.938 0.768 0.000 0.000 -0.000 3/18816 1000.0 0.660 0.928 0.760 0.000 0.000 -0.000 3/18816 Thermal conductivity related properties were written into "kappa-m478.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:58:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|