----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:43:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.379107455764737 0.000000000000000 0.000000000000000 b 0.000000000000000 7.108822830000000 0.000000000000000 c -0.874767837130330 0.000000000000000 6.711573975193461 Atomic positions (fractional): *1 S 0.91176847221093 0.27567111100564 0.00028401829990 32.065 2 S 0.08823152778907 0.77567111100564 0.49971598170010 32.065 3 S 0.08823152778907 0.72432888899436 0.99971598170010 32.065 4 S 0.91176847221093 0.22432888899436 0.50028401829990 32.065 *5 S 0.59422061951764 0.88907989098527 0.77672948665862 32.065 6 S 0.59422061951764 0.61092010901473 0.27672948665862 32.065 7 S 0.40577938048236 0.11092010901473 0.22327051334138 32.065 8 S 0.40577938048236 0.38907989098527 0.72327051334138 32.065 *9 Cu 0.57019892430397 0.33596523140913 0.05042627821630 63.546 10 Cu 0.42980107569603 0.66403476859087 0.94957372178370 63.546 11 Cu 0.42980107569603 0.83596523140913 0.44957372178370 63.546 12 Cu 0.57019892430397 0.16403476859087 0.55042627821630 63.546 *13 Nd 0.19020335190248 0.05065697035484 0.80121726967811 144.242 14 Nd 0.80979664809752 0.55065697035484 0.69878273032189 144.242 15 Nd 0.80979664809752 0.94934302964516 0.19878273032189 144.242 16 Nd 0.19020335190248 0.44934302964516 0.30121726967811 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.379107455764737 0.000000000000000 0.000000000000000 b 0.000000000000000 7.108822830000000 0.000000000000000 c -0.874767837130330 0.000000000000000 6.711573975193461 Atomic positions (fractional): *1 S 0.91176847221093 0.27567111100564 0.00028401829990 32.065 > 1 2 S 0.08823152778907 0.77567111100564 0.49971598170010 32.065 > 2 3 S 0.08823152778907 0.72432888899436 0.99971598170010 32.065 > 3 4 S 0.91176847221093 0.22432888899436 0.50028401829990 32.065 > 4 *5 S 0.59422061951764 0.88907989098527 0.77672948665862 32.065 > 5 6 S 0.59422061951764 0.61092010901473 0.27672948665862 32.065 > 6 7 S 0.40577938048236 0.11092010901473 0.22327051334138 32.065 > 7 8 S 0.40577938048236 0.38907989098527 0.72327051334138 32.065 > 8 *9 Cu 0.57019892430397 0.33596523140913 0.05042627821630 63.546 > 9 10 Cu 0.42980107569603 0.66403476859087 0.94957372178370 63.546 > 10 11 Cu 0.42980107569603 0.83596523140913 0.44957372178370 63.546 > 11 12 Cu 0.57019892430397 0.16403476859087 0.55042627821630 63.546 > 12 *13 Nd 0.19020335190248 0.05065697035484 0.80121726967811 144.242 > 13 14 Nd 0.80979664809752 0.55065697035484 0.69878273032189 144.242 > 14 15 Nd 0.80979664809752 0.94934302964516 0.19878273032189 144.242 > 15 16 Nd 0.19020335190248 0.44934302964516 0.30121726967811 144.242 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.758214911529475 0.000000000000000 0.000000000000000 b 0.000000000000000 14.217645660000001 0.000000000000000 c -1.749535674260660 0.000000000000000 13.423147950386921 Atomic positions (fractional): *1 S 0.45588423610547 0.13783555550282 0.00014200914995 32.065 > 1 2 S 0.95588423610547 0.13783555550282 0.00014200914995 32.065 > 1 3 S 0.45588423610547 0.63783555550282 0.00014200914995 32.065 > 1 4 S 0.95588423610547 0.63783555550282 0.00014200914995 32.065 > 1 5 S 0.45588423610547 0.13783555550282 0.50014200914995 32.065 > 1 6 S 0.95588423610547 0.13783555550282 0.50014200914995 32.065 > 1 7 S 0.45588423610547 0.63783555550282 0.50014200914995 32.065 > 1 8 S 0.95588423610547 0.63783555550282 0.50014200914995 32.065 > 1 9 S 0.04411576389453 0.38783555550282 0.24985799085005 32.065 > 2 10 S 0.54411576389453 0.38783555550282 0.24985799085005 32.065 > 2 11 S 0.04411576389453 0.88783555550282 0.24985799085005 32.065 > 2 12 S 0.54411576389453 0.88783555550282 0.24985799085005 32.065 > 2 13 S 0.04411576389453 0.38783555550282 0.74985799085005 32.065 > 2 14 S 0.54411576389453 0.38783555550282 0.74985799085005 32.065 > 2 15 S 0.04411576389453 0.88783555550282 0.74985799085005 32.065 > 2 16 S 0.54411576389453 0.88783555550282 0.74985799085005 32.065 > 2 17 S 0.04411576389453 0.36216444449718 0.49985799085005 32.065 > 3 18 S 0.54411576389453 0.36216444449718 0.49985799085005 32.065 > 3 19 S 0.04411576389453 0.86216444449718 0.49985799085005 32.065 > 3 20 S 0.54411576389453 0.86216444449718 0.49985799085005 32.065 > 3 21 S 0.04411576389453 0.36216444449718 0.99985799085005 32.065 > 3 22 S 0.54411576389453 0.36216444449718 0.99985799085005 32.065 > 3 23 S 0.04411576389453 0.86216444449718 0.99985799085005 32.065 > 3 24 S 0.54411576389453 0.86216444449718 0.99985799085005 32.065 > 3 25 S 0.45588423610547 0.11216444449718 0.25014200914995 32.065 > 4 26 S 0.95588423610547 0.11216444449718 0.25014200914995 32.065 > 4 27 S 0.45588423610547 0.61216444449718 0.25014200914995 32.065 > 4 28 S 0.95588423610547 0.61216444449718 0.25014200914995 32.065 > 4 29 S 0.45588423610547 0.11216444449718 0.75014200914995 32.065 > 4 30 S 0.95588423610547 0.11216444449718 0.75014200914995 32.065 > 4 31 S 0.45588423610547 0.61216444449718 0.75014200914995 32.065 > 4 32 S 0.95588423610547 0.61216444449718 0.75014200914995 32.065 > 4 *33 S 0.29711030975882 0.44453994549263 0.38836474332931 32.065 > 5 34 S 0.79711030975882 0.44453994549263 0.38836474332931 32.065 > 5 35 S 0.29711030975882 0.94453994549263 0.38836474332931 32.065 > 5 36 S 0.79711030975882 0.94453994549263 0.38836474332931 32.065 > 5 37 S 0.29711030975882 0.44453994549263 0.88836474332931 32.065 > 5 38 S 0.79711030975882 0.44453994549263 0.88836474332931 32.065 > 5 39 S 0.29711030975882 0.94453994549263 0.88836474332931 32.065 > 5 40 S 0.79711030975882 0.94453994549263 0.88836474332931 32.065 > 5 41 S 0.29711030975882 0.30546005450737 0.13836474332931 32.065 > 6 42 S 0.79711030975882 0.30546005450737 0.13836474332931 32.065 > 6 43 S 0.29711030975882 0.80546005450737 0.13836474332931 32.065 > 6 44 S 0.79711030975882 0.80546005450737 0.13836474332931 32.065 > 6 45 S 0.29711030975882 0.30546005450737 0.63836474332931 32.065 > 6 46 S 0.79711030975882 0.30546005450737 0.63836474332931 32.065 > 6 47 S 0.29711030975882 0.80546005450737 0.63836474332931 32.065 > 6 48 S 0.79711030975882 0.80546005450737 0.63836474332931 32.065 > 6 49 S 0.20288969024118 0.05546005450737 0.11163525667069 32.065 > 7 50 S 0.70288969024118 0.05546005450737 0.11163525667069 32.065 > 7 51 S 0.20288969024118 0.55546005450737 0.11163525667069 32.065 > 7 52 S 0.70288969024118 0.55546005450737 0.11163525667069 32.065 > 7 53 S 0.20288969024118 0.05546005450737 0.61163525667069 32.065 > 7 54 S 0.70288969024118 0.05546005450737 0.61163525667069 32.065 > 7 55 S 0.20288969024118 0.55546005450737 0.61163525667069 32.065 > 7 56 S 0.70288969024118 0.55546005450737 0.61163525667069 32.065 > 7 57 S 0.20288969024118 0.19453994549263 0.36163525667069 32.065 > 8 58 S 0.70288969024118 0.19453994549263 0.36163525667069 32.065 > 8 59 S 0.20288969024118 0.69453994549263 0.36163525667069 32.065 > 8 60 S 0.70288969024118 0.69453994549263 0.36163525667069 32.065 > 8 61 S 0.20288969024118 0.19453994549263 0.86163525667069 32.065 > 8 62 S 0.70288969024118 0.19453994549263 0.86163525667069 32.065 > 8 63 S 0.20288969024118 0.69453994549263 0.86163525667069 32.065 > 8 64 S 0.70288969024118 0.69453994549263 0.86163525667069 32.065 > 8 *65 Cu 0.28509946215198 0.16798261570457 0.02521313910815 63.546 > 9 66 Cu 0.78509946215198 0.16798261570457 0.02521313910815 63.546 > 9 67 Cu 0.28509946215198 0.66798261570457 0.02521313910815 63.546 > 9 68 Cu 0.78509946215198 0.66798261570457 0.02521313910815 63.546 > 9 69 Cu 0.28509946215198 0.16798261570457 0.52521313910815 63.546 > 9 70 Cu 0.78509946215198 0.16798261570457 0.52521313910815 63.546 > 9 71 Cu 0.28509946215198 0.66798261570457 0.52521313910815 63.546 > 9 72 Cu 0.78509946215198 0.66798261570457 0.52521313910815 63.546 > 9 73 Cu 0.21490053784802 0.33201738429543 0.47478686089185 63.546 > 10 74 Cu 0.71490053784802 0.33201738429543 0.47478686089185 63.546 > 10 75 Cu 0.21490053784802 0.83201738429543 0.47478686089185 63.546 > 10 76 Cu 0.71490053784802 0.83201738429543 0.47478686089185 63.546 > 10 77 Cu 0.21490053784802 0.33201738429543 0.97478686089185 63.546 > 10 78 Cu 0.71490053784802 0.33201738429543 0.97478686089185 63.546 > 10 79 Cu 0.21490053784802 0.83201738429543 0.97478686089185 63.546 > 10 80 Cu 0.71490053784802 0.83201738429543 0.97478686089185 63.546 > 10 81 Cu 0.21490053784802 0.41798261570457 0.22478686089185 63.546 > 11 82 Cu 0.71490053784802 0.41798261570457 0.22478686089185 63.546 > 11 83 Cu 0.21490053784802 0.91798261570457 0.22478686089185 63.546 > 11 84 Cu 0.71490053784802 0.91798261570457 0.22478686089185 63.546 > 11 85 Cu 0.21490053784802 0.41798261570457 0.72478686089185 63.546 > 11 86 Cu 0.71490053784802 0.41798261570457 0.72478686089185 63.546 > 11 87 Cu 0.21490053784802 0.91798261570457 0.72478686089185 63.546 > 11 88 Cu 0.71490053784802 0.91798261570457 0.72478686089185 63.546 > 11 89 Cu 0.28509946215198 0.08201738429543 0.27521313910815 63.546 > 12 90 Cu 0.78509946215198 0.08201738429543 0.27521313910815 63.546 > 12 91 Cu 0.28509946215198 0.58201738429543 0.27521313910815 63.546 > 12 92 Cu 0.78509946215198 0.58201738429543 0.27521313910815 63.546 > 12 93 Cu 0.28509946215198 0.08201738429543 0.77521313910815 63.546 > 12 94 Cu 0.78509946215198 0.08201738429543 0.77521313910815 63.546 > 12 95 Cu 0.28509946215198 0.58201738429543 0.77521313910815 63.546 > 12 96 Cu 0.78509946215198 0.58201738429543 0.77521313910815 63.546 > 12 *97 Nd 0.09510167595124 0.02532848517742 0.40060863483906 144.242 > 13 98 Nd 0.59510167595124 0.02532848517742 0.40060863483906 144.242 > 13 99 Nd 0.09510167595124 0.52532848517742 0.40060863483906 144.242 > 13 100 Nd 0.59510167595124 0.52532848517742 0.40060863483906 144.242 > 13 101 Nd 0.09510167595124 0.02532848517742 0.90060863483906 144.242 > 13 102 Nd 0.59510167595124 0.02532848517742 0.90060863483906 144.242 > 13 103 Nd 0.09510167595124 0.52532848517742 0.90060863483906 144.242 > 13 104 Nd 0.59510167595124 0.52532848517742 0.90060863483906 144.242 > 13 105 Nd 0.40489832404876 0.27532848517742 0.34939136516094 144.242 > 14 106 Nd 0.90489832404876 0.27532848517742 0.34939136516094 144.242 > 14 107 Nd 0.40489832404876 0.77532848517742 0.34939136516094 144.242 > 14 108 Nd 0.90489832404876 0.77532848517742 0.34939136516094 144.242 > 14 109 Nd 0.40489832404876 0.27532848517742 0.84939136516094 144.242 > 14 110 Nd 0.90489832404876 0.27532848517742 0.84939136516094 144.242 > 14 111 Nd 0.40489832404876 0.77532848517742 0.84939136516094 144.242 > 14 112 Nd 0.90489832404876 0.77532848517742 0.84939136516094 144.242 > 14 113 Nd 0.40489832404876 0.47467151482258 0.09939136516094 144.242 > 15 114 Nd 0.90489832404876 0.47467151482258 0.09939136516094 144.242 > 15 115 Nd 0.40489832404876 0.97467151482258 0.09939136516094 144.242 > 15 116 Nd 0.90489832404876 0.97467151482258 0.09939136516094 144.242 > 15 117 Nd 0.40489832404876 0.47467151482258 0.59939136516094 144.242 > 15 118 Nd 0.90489832404876 0.47467151482258 0.59939136516094 144.242 > 15 119 Nd 0.40489832404876 0.97467151482258 0.59939136516094 144.242 > 15 120 Nd 0.90489832404876 0.97467151482258 0.59939136516094 144.242 > 15 121 Nd 0.09510167595124 0.22467151482258 0.15060863483906 144.242 > 16 122 Nd 0.59510167595124 0.22467151482258 0.15060863483906 144.242 > 16 123 Nd 0.09510167595124 0.72467151482258 0.15060863483906 144.242 > 16 124 Nd 0.59510167595124 0.72467151482258 0.15060863483906 144.242 > 16 125 Nd 0.09510167595124 0.22467151482258 0.65060863483906 144.242 > 16 126 Nd 0.59510167595124 0.22467151482258 0.65060863483906 144.242 > 16 127 Nd 0.09510167595124 0.72467151482258 0.65060863483906 144.242 > 16 128 Nd 0.59510167595124 0.72467151482258 0.65060863483906 144.242 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.6923862 0.0000000 0.1259362 0.0000000 11.0059650 0.0000000 0.1259422 0.0000000 11.0958987 -------------------------- Born effective charges -------------------------- 1 S -2.3621678 0.0608140 0.1626513 0.0420369 -2.9065941 0.2030211 -0.0100961 0.3088043 -2.3453092 2 S -2.3621678 -0.0608140 0.1626513 -0.0420369 -2.9065941 -0.2030211 -0.0100961 -0.3088043 -2.3453092 3 S -2.3621678 0.0608140 0.1626513 0.0420369 -2.9065941 0.2030211 -0.0100961 0.3088043 -2.3453092 4 S -2.3621678 -0.0608140 0.1626513 -0.0420369 -2.9065941 -0.2030211 -0.0100961 -0.3088043 -2.3453092 5 S -2.2229584 0.4478060 -0.2586123 0.6241822 -2.5525826 -0.0790013 -0.0999551 -0.1622802 -2.6319069 6 S -2.2229584 -0.4478060 -0.2586123 -0.6241822 -2.5525826 0.0790013 -0.0999551 0.1622802 -2.6319069 7 S -2.2229584 0.4478060 -0.2586123 0.6241822 -2.5525826 -0.0790013 -0.0999551 -0.1622802 -2.6319069 8 S -2.2229584 -0.4478060 -0.2586123 -0.6241822 -2.5525826 0.0790013 -0.0999551 0.1622802 -2.6319069 9 Cu 0.3677025 0.0346790 0.0837802 0.0453928 0.6809385 0.2476749 0.0071024 0.1971258 0.9825787 10 Cu 0.3677025 0.0346790 0.0837802 0.0453928 0.6809385 0.2476749 0.0071024 0.1971258 0.9825787 11 Cu 0.3677025 -0.0346790 0.0837802 -0.0453928 0.6809385 -0.2476749 0.0071024 -0.1971258 0.9825787 12 Cu 0.3677025 -0.0346790 0.0837802 -0.0453928 0.6809385 -0.2476749 0.0071024 -0.1971258 0.9825787 13 Nd 4.2174237 -0.1663956 0.0121807 -0.1972343 4.7782382 0.0165407 0.1029488 0.2975633 3.9946375 14 Nd 4.2174237 0.1663956 0.0121807 0.1972343 4.7782382 -0.0165407 0.1029488 -0.2975633 3.9946375 15 Nd 4.2174237 -0.1663956 0.0121807 -0.1972343 4.7782382 0.0165407 0.1029488 0.2975633 3.9946375 16 Nd 4.2174237 0.1663956 0.0121807 0.1972343 4.7782382 -0.0165407 0.1029488 -0.2975633 3.9946375 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.806 Solver_block: 200 / 480 - Time: 0.750 Solver_block: 300 / 480 - Time: 0.762 Solver_block: 400 / 480 - Time: 0.753 Solver_block: 480 / 480 - Time: 0.619 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.784 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 2026-01-07 23:43:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:43:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.379107455764737 0.000000000000000 0.000000000000000 b 0.000000000000000 7.108822830000000 0.000000000000000 c -0.874767837130330 0.000000000000000 6.711573975193461 Atomic positions (fractional): 1 S 0.91176847221093 0.27567111100564 0.00028401829990 32.065 2 S 0.08823152778907 0.77567111100564 0.49971598170010 32.065 3 S 0.08823152778907 0.72432888899436 0.99971598170010 32.065 4 S 0.91176847221093 0.22432888899436 0.50028401829990 32.065 5 S 0.59422061951764 0.88907989098527 0.77672948665862 32.065 6 S 0.59422061951764 0.61092010901473 0.27672948665862 32.065 7 S 0.40577938048236 0.11092010901473 0.22327051334138 32.065 8 S 0.40577938048236 0.38907989098527 0.72327051334138 32.065 9 Cu 0.57019892430397 0.33596523140913 0.05042627821630 63.546 10 Cu 0.42980107569603 0.66403476859087 0.94957372178370 63.546 11 Cu 0.42980107569603 0.83596523140913 0.44957372178370 63.546 12 Cu 0.57019892430397 0.16403476859087 0.55042627821630 63.546 13 Nd 0.19020335190248 0.05065697035484 0.80121726967811 144.242 14 Nd 0.80979664809752 0.55065697035484 0.69878273032189 144.242 15 Nd 0.80979664809752 0.94934302964516 0.19878273032189 144.242 16 Nd 0.19020335190248 0.44934302964516 0.30121726967811 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.758214911529475 0.000000000000000 0.000000000000000 b 0.000000000000000 14.217645660000001 0.000000000000000 c -1.749535674260660 0.000000000000000 13.423147950386921 Atomic positions (fractional): 1 S 0.45588423610547 0.13783555550282 0.00014200914995 32.065 > 1 2 S 0.95588423610547 0.13783555550282 0.00014200914995 32.065 > 1 3 S 0.45588423610547 0.63783555550282 0.00014200914995 32.065 > 1 4 S 0.95588423610547 0.63783555550282 0.00014200914995 32.065 > 1 5 S 0.45588423610547 0.13783555550282 0.50014200914995 32.065 > 1 6 S 0.95588423610547 0.13783555550282 0.50014200914995 32.065 > 1 7 S 0.45588423610547 0.63783555550282 0.50014200914995 32.065 > 1 8 S 0.95588423610547 0.63783555550282 0.50014200914995 32.065 > 1 9 S 0.04411576389453 0.38783555550282 0.24985799085005 32.065 > 9 10 S 0.54411576389453 0.38783555550282 0.24985799085005 32.065 > 9 11 S 0.04411576389453 0.88783555550282 0.24985799085005 32.065 > 9 12 S 0.54411576389453 0.88783555550282 0.24985799085005 32.065 > 9 13 S 0.04411576389453 0.38783555550282 0.74985799085005 32.065 > 9 14 S 0.54411576389453 0.38783555550282 0.74985799085005 32.065 > 9 15 S 0.04411576389453 0.88783555550282 0.74985799085005 32.065 > 9 16 S 0.54411576389453 0.88783555550282 0.74985799085005 32.065 > 9 17 S 0.04411576389453 0.36216444449718 0.49985799085005 32.065 > 17 18 S 0.54411576389453 0.36216444449718 0.49985799085005 32.065 > 17 19 S 0.04411576389453 0.86216444449718 0.49985799085005 32.065 > 17 20 S 0.54411576389453 0.86216444449718 0.49985799085005 32.065 > 17 21 S 0.04411576389453 0.36216444449718 0.99985799085005 32.065 > 17 22 S 0.54411576389453 0.36216444449718 0.99985799085005 32.065 > 17 23 S 0.04411576389453 0.86216444449718 0.99985799085005 32.065 > 17 24 S 0.54411576389453 0.86216444449718 0.99985799085005 32.065 > 17 25 S 0.45588423610547 0.11216444449718 0.25014200914995 32.065 > 25 26 S 0.95588423610547 0.11216444449718 0.25014200914995 32.065 > 25 27 S 0.45588423610547 0.61216444449718 0.25014200914995 32.065 > 25 28 S 0.95588423610547 0.61216444449718 0.25014200914995 32.065 > 25 29 S 0.45588423610547 0.11216444449718 0.75014200914995 32.065 > 25 30 S 0.95588423610547 0.11216444449718 0.75014200914995 32.065 > 25 31 S 0.45588423610547 0.61216444449718 0.75014200914995 32.065 > 25 32 S 0.95588423610547 0.61216444449718 0.75014200914995 32.065 > 25 33 S 0.29711030975882 0.44453994549263 0.38836474332931 32.065 > 33 34 S 0.79711030975882 0.44453994549263 0.38836474332931 32.065 > 33 35 S 0.29711030975882 0.94453994549263 0.38836474332931 32.065 > 33 36 S 0.79711030975882 0.94453994549263 0.38836474332931 32.065 > 33 37 S 0.29711030975882 0.44453994549263 0.88836474332931 32.065 > 33 38 S 0.79711030975882 0.44453994549263 0.88836474332931 32.065 > 33 39 S 0.29711030975882 0.94453994549263 0.88836474332931 32.065 > 33 40 S 0.79711030975882 0.94453994549263 0.88836474332931 32.065 > 33 41 S 0.29711030975882 0.30546005450737 0.13836474332931 32.065 > 41 42 S 0.79711030975882 0.30546005450737 0.13836474332931 32.065 > 41 43 S 0.29711030975882 0.80546005450737 0.13836474332931 32.065 > 41 44 S 0.79711030975882 0.80546005450737 0.13836474332931 32.065 > 41 45 S 0.29711030975882 0.30546005450737 0.63836474332931 32.065 > 41 46 S 0.79711030975882 0.30546005450737 0.63836474332931 32.065 > 41 47 S 0.29711030975882 0.80546005450737 0.63836474332931 32.065 > 41 48 S 0.79711030975882 0.80546005450737 0.63836474332931 32.065 > 41 49 S 0.20288969024118 0.05546005450737 0.11163525667069 32.065 > 49 50 S 0.70288969024118 0.05546005450737 0.11163525667069 32.065 > 49 51 S 0.20288969024118 0.55546005450737 0.11163525667069 32.065 > 49 52 S 0.70288969024118 0.55546005450737 0.11163525667069 32.065 > 49 53 S 0.20288969024118 0.05546005450737 0.61163525667069 32.065 > 49 54 S 0.70288969024118 0.05546005450737 0.61163525667069 32.065 > 49 55 S 0.20288969024118 0.55546005450737 0.61163525667069 32.065 > 49 56 S 0.70288969024118 0.55546005450737 0.61163525667069 32.065 > 49 57 S 0.20288969024118 0.19453994549263 0.36163525667069 32.065 > 57 58 S 0.70288969024118 0.19453994549263 0.36163525667069 32.065 > 57 59 S 0.20288969024118 0.69453994549263 0.36163525667069 32.065 > 57 60 S 0.70288969024118 0.69453994549263 0.36163525667069 32.065 > 57 61 S 0.20288969024118 0.19453994549263 0.86163525667069 32.065 > 57 62 S 0.70288969024118 0.19453994549263 0.86163525667069 32.065 > 57 63 S 0.20288969024118 0.69453994549263 0.86163525667069 32.065 > 57 64 S 0.70288969024118 0.69453994549263 0.86163525667069 32.065 > 57 65 Cu 0.28509946215198 0.16798261570457 0.02521313910815 63.546 > 65 66 Cu 0.78509946215198 0.16798261570457 0.02521313910815 63.546 > 65 67 Cu 0.28509946215198 0.66798261570457 0.02521313910815 63.546 > 65 68 Cu 0.78509946215198 0.66798261570457 0.02521313910815 63.546 > 65 69 Cu 0.28509946215198 0.16798261570457 0.52521313910815 63.546 > 65 70 Cu 0.78509946215198 0.16798261570457 0.52521313910815 63.546 > 65 71 Cu 0.28509946215198 0.66798261570457 0.52521313910815 63.546 > 65 72 Cu 0.78509946215198 0.66798261570457 0.52521313910815 63.546 > 65 73 Cu 0.21490053784802 0.33201738429543 0.47478686089185 63.546 > 73 74 Cu 0.71490053784802 0.33201738429543 0.47478686089185 63.546 > 73 75 Cu 0.21490053784802 0.83201738429543 0.47478686089185 63.546 > 73 76 Cu 0.71490053784802 0.83201738429543 0.47478686089185 63.546 > 73 77 Cu 0.21490053784802 0.33201738429543 0.97478686089185 63.546 > 73 78 Cu 0.71490053784802 0.33201738429543 0.97478686089185 63.546 > 73 79 Cu 0.21490053784802 0.83201738429543 0.97478686089185 63.546 > 73 80 Cu 0.71490053784802 0.83201738429543 0.97478686089185 63.546 > 73 81 Cu 0.21490053784802 0.41798261570457 0.22478686089185 63.546 > 81 82 Cu 0.71490053784802 0.41798261570457 0.22478686089185 63.546 > 81 83 Cu 0.21490053784802 0.91798261570457 0.22478686089185 63.546 > 81 84 Cu 0.71490053784802 0.91798261570457 0.22478686089185 63.546 > 81 85 Cu 0.21490053784802 0.41798261570457 0.72478686089185 63.546 > 81 86 Cu 0.71490053784802 0.41798261570457 0.72478686089185 63.546 > 81 87 Cu 0.21490053784802 0.91798261570457 0.72478686089185 63.546 > 81 88 Cu 0.71490053784802 0.91798261570457 0.72478686089185 63.546 > 81 89 Cu 0.28509946215198 0.08201738429543 0.27521313910815 63.546 > 89 90 Cu 0.78509946215198 0.08201738429543 0.27521313910815 63.546 > 89 91 Cu 0.28509946215198 0.58201738429543 0.27521313910815 63.546 > 89 92 Cu 0.78509946215198 0.58201738429543 0.27521313910815 63.546 > 89 93 Cu 0.28509946215198 0.08201738429543 0.77521313910815 63.546 > 89 94 Cu 0.78509946215198 0.08201738429543 0.77521313910815 63.546 > 89 95 Cu 0.28509946215198 0.58201738429543 0.77521313910815 63.546 > 89 96 Cu 0.78509946215198 0.58201738429543 0.77521313910815 63.546 > 89 97 Nd 0.09510167595124 0.02532848517742 0.40060863483906 144.242 > 97 98 Nd 0.59510167595124 0.02532848517742 0.40060863483906 144.242 > 97 99 Nd 0.09510167595124 0.52532848517742 0.40060863483906 144.242 > 97 100 Nd 0.59510167595124 0.52532848517742 0.40060863483906 144.242 > 97 101 Nd 0.09510167595124 0.02532848517742 0.90060863483906 144.242 > 97 102 Nd 0.59510167595124 0.02532848517742 0.90060863483906 144.242 > 97 103 Nd 0.09510167595124 0.52532848517742 0.90060863483906 144.242 > 97 104 Nd 0.59510167595124 0.52532848517742 0.90060863483906 144.242 > 97 105 Nd 0.40489832404876 0.27532848517742 0.34939136516094 144.242 > 105 106 Nd 0.90489832404876 0.27532848517742 0.34939136516094 144.242 > 105 107 Nd 0.40489832404876 0.77532848517742 0.34939136516094 144.242 > 105 108 Nd 0.90489832404876 0.77532848517742 0.34939136516094 144.242 > 105 109 Nd 0.40489832404876 0.27532848517742 0.84939136516094 144.242 > 105 110 Nd 0.90489832404876 0.27532848517742 0.84939136516094 144.242 > 105 111 Nd 0.40489832404876 0.77532848517742 0.84939136516094 144.242 > 105 112 Nd 0.90489832404876 0.77532848517742 0.84939136516094 144.242 > 105 113 Nd 0.40489832404876 0.47467151482258 0.09939136516094 144.242 > 113 114 Nd 0.90489832404876 0.47467151482258 0.09939136516094 144.242 > 113 115 Nd 0.40489832404876 0.97467151482258 0.09939136516094 144.242 > 113 116 Nd 0.90489832404876 0.97467151482258 0.09939136516094 144.242 > 113 117 Nd 0.40489832404876 0.47467151482258 0.59939136516094 144.242 > 113 118 Nd 0.90489832404876 0.47467151482258 0.59939136516094 144.242 > 113 119 Nd 0.40489832404876 0.97467151482258 0.59939136516094 144.242 > 113 120 Nd 0.90489832404876 0.97467151482258 0.59939136516094 144.242 > 113 121 Nd 0.09510167595124 0.22467151482258 0.15060863483906 144.242 > 121 122 Nd 0.59510167595124 0.22467151482258 0.15060863483906 144.242 > 121 123 Nd 0.09510167595124 0.72467151482258 0.15060863483906 144.242 > 121 124 Nd 0.59510167595124 0.72467151482258 0.15060863483906 144.242 > 121 125 Nd 0.09510167595124 0.22467151482258 0.65060863483906 144.242 > 121 126 Nd 0.59510167595124 0.22467151482258 0.65060863483906 144.242 > 121 127 Nd 0.09510167595124 0.72467151482258 0.65060863483906 144.242 > 121 128 Nd 0.59510167595124 0.72467151482258 0.65060863483906 144.242 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.6923862 0.0000000 0.1259362 0.0000000 11.0059650 0.0000000 0.1259422 0.0000000 11.0958987 -------------------------- Born effective charges -------------------------- 1 S -2.3621678 0.0608140 0.1626513 0.0420369 -2.9065941 0.2030211 -0.0100961 0.3088043 -2.3453092 2 S -2.3621678 -0.0608140 0.1626513 -0.0420369 -2.9065941 -0.2030211 -0.0100961 -0.3088043 -2.3453092 3 S -2.3621678 0.0608140 0.1626513 0.0420369 -2.9065941 0.2030211 -0.0100961 0.3088043 -2.3453092 4 S -2.3621678 -0.0608140 0.1626513 -0.0420369 -2.9065941 -0.2030211 -0.0100961 -0.3088043 -2.3453092 5 S -2.2229584 0.4478060 -0.2586123 0.6241822 -2.5525826 -0.0790013 -0.0999551 -0.1622802 -2.6319069 6 S -2.2229584 -0.4478060 -0.2586123 -0.6241822 -2.5525826 0.0790013 -0.0999551 0.1622802 -2.6319069 7 S -2.2229584 0.4478060 -0.2586123 0.6241822 -2.5525826 -0.0790013 -0.0999551 -0.1622802 -2.6319069 8 S -2.2229584 -0.4478060 -0.2586123 -0.6241822 -2.5525826 0.0790013 -0.0999551 0.1622802 -2.6319069 9 Cu 0.3677025 0.0346790 0.0837802 0.0453928 0.6809385 0.2476749 0.0071024 0.1971258 0.9825787 10 Cu 0.3677025 0.0346790 0.0837802 0.0453928 0.6809385 0.2476749 0.0071024 0.1971258 0.9825787 11 Cu 0.3677025 -0.0346790 0.0837802 -0.0453928 0.6809385 -0.2476749 0.0071024 -0.1971258 0.9825787 12 Cu 0.3677025 -0.0346790 0.0837802 -0.0453928 0.6809385 -0.2476749 0.0071024 -0.1971258 0.9825787 13 Nd 4.2174237 -0.1663956 0.0121807 -0.1972343 4.7782382 0.0165407 0.1029488 0.2975633 3.9946375 14 Nd 4.2174237 0.1663956 0.0121807 0.1972343 4.7782382 -0.0165407 0.1029488 -0.2975633 3.9946375 15 Nd 4.2174237 -0.1663956 0.0121807 -0.1972343 4.7782382 0.0165407 0.1029488 0.2975633 3.9946375 16 Nd 4.2174237 0.1663956 0.0121807 0.1972343 4.7782382 -0.0165407 0.1029488 -0.2975633 3.9946375 ---------------------------------------------------------------------------- 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (yx) -0.00000003 (yx) 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 2026-01-07 23:44:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:44:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.379107455764737 0.000000000000000 0.000000000000000 b 0.000000000000000 7.108822830000000 0.000000000000000 c -0.874767837130330 0.000000000000000 6.711573975193461 Atomic positions (fractional): 1 S 0.91176847221093 0.27567111100564 0.00028401829990 32.065 2 S 0.08823152778907 0.77567111100564 0.49971598170010 32.065 3 S 0.08823152778907 0.72432888899436 0.99971598170010 32.065 4 S 0.91176847221093 0.22432888899436 0.50028401829990 32.065 5 S 0.59422061951764 0.88907989098527 0.77672948665862 32.065 6 S 0.59422061951764 0.61092010901473 0.27672948665862 32.065 7 S 0.40577938048236 0.11092010901473 0.22327051334138 32.065 8 S 0.40577938048236 0.38907989098527 0.72327051334138 32.065 9 Cu 0.57019892430397 0.33596523140913 0.05042627821630 63.546 10 Cu 0.42980107569603 0.66403476859087 0.94957372178370 63.546 11 Cu 0.42980107569603 0.83596523140913 0.44957372178370 63.546 12 Cu 0.57019892430397 0.16403476859087 0.55042627821630 63.546 13 Nd 0.19020335190248 0.05065697035484 0.80121726967811 144.242 14 Nd 0.80979664809752 0.55065697035484 0.69878273032189 144.242 15 Nd 0.80979664809752 0.94934302964516 0.19878273032189 144.242 16 Nd 0.19020335190248 0.44934302964516 0.30121726967811 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.758214911529475 0.000000000000000 0.000000000000000 b 0.000000000000000 14.217645660000001 0.000000000000000 c -1.749535674260660 0.000000000000000 13.423147950386921 Atomic positions (fractional): 1 S 0.45588423610547 0.13783555550282 0.00014200914995 32.065 > 1 2 S 0.95588423610547 0.13783555550282 0.00014200914995 32.065 > 1 3 S 0.45588423610547 0.63783555550282 0.00014200914995 32.065 > 1 4 S 0.95588423610547 0.63783555550282 0.00014200914995 32.065 > 1 5 S 0.45588423610547 0.13783555550282 0.50014200914995 32.065 > 1 6 S 0.95588423610547 0.13783555550282 0.50014200914995 32.065 > 1 7 S 0.45588423610547 0.63783555550282 0.50014200914995 32.065 > 1 8 S 0.95588423610547 0.63783555550282 0.50014200914995 32.065 > 1 9 S 0.04411576389453 0.38783555550282 0.24985799085005 32.065 > 9 10 S 0.54411576389453 0.38783555550282 0.24985799085005 32.065 > 9 11 S 0.04411576389453 0.88783555550282 0.24985799085005 32.065 > 9 12 S 0.54411576389453 0.88783555550282 0.24985799085005 32.065 > 9 13 S 0.04411576389453 0.38783555550282 0.74985799085005 32.065 > 9 14 S 0.54411576389453 0.38783555550282 0.74985799085005 32.065 > 9 15 S 0.04411576389453 0.88783555550282 0.74985799085005 32.065 > 9 16 S 0.54411576389453 0.88783555550282 0.74985799085005 32.065 > 9 17 S 0.04411576389453 0.36216444449718 0.49985799085005 32.065 > 17 18 S 0.54411576389453 0.36216444449718 0.49985799085005 32.065 > 17 19 S 0.04411576389453 0.86216444449718 0.49985799085005 32.065 > 17 20 S 0.54411576389453 0.86216444449718 0.49985799085005 32.065 > 17 21 S 0.04411576389453 0.36216444449718 0.99985799085005 32.065 > 17 22 S 0.54411576389453 0.36216444449718 0.99985799085005 32.065 > 17 23 S 0.04411576389453 0.86216444449718 0.99985799085005 32.065 > 17 24 S 0.54411576389453 0.86216444449718 0.99985799085005 32.065 > 17 25 S 0.45588423610547 0.11216444449718 0.25014200914995 32.065 > 25 26 S 0.95588423610547 0.11216444449718 0.25014200914995 32.065 > 25 27 S 0.45588423610547 0.61216444449718 0.25014200914995 32.065 > 25 28 S 0.95588423610547 0.61216444449718 0.25014200914995 32.065 > 25 29 S 0.45588423610547 0.11216444449718 0.75014200914995 32.065 > 25 30 S 0.95588423610547 0.11216444449718 0.75014200914995 32.065 > 25 31 S 0.45588423610547 0.61216444449718 0.75014200914995 32.065 > 25 32 S 0.95588423610547 0.61216444449718 0.75014200914995 32.065 > 25 33 S 0.29711030975882 0.44453994549263 0.38836474332931 32.065 > 33 34 S 0.79711030975882 0.44453994549263 0.38836474332931 32.065 > 33 35 S 0.29711030975882 0.94453994549263 0.38836474332931 32.065 > 33 36 S 0.79711030975882 0.94453994549263 0.38836474332931 32.065 > 33 37 S 0.29711030975882 0.44453994549263 0.88836474332931 32.065 > 33 38 S 0.79711030975882 0.44453994549263 0.88836474332931 32.065 > 33 39 S 0.29711030975882 0.94453994549263 0.88836474332931 32.065 > 33 40 S 0.79711030975882 0.94453994549263 0.88836474332931 32.065 > 33 41 S 0.29711030975882 0.30546005450737 0.13836474332931 32.065 > 41 42 S 0.79711030975882 0.30546005450737 0.13836474332931 32.065 > 41 43 S 0.29711030975882 0.80546005450737 0.13836474332931 32.065 > 41 44 S 0.79711030975882 0.80546005450737 0.13836474332931 32.065 > 41 45 S 0.29711030975882 0.30546005450737 0.63836474332931 32.065 > 41 46 S 0.79711030975882 0.30546005450737 0.63836474332931 32.065 > 41 47 S 0.29711030975882 0.80546005450737 0.63836474332931 32.065 > 41 48 S 0.79711030975882 0.80546005450737 0.63836474332931 32.065 > 41 49 S 0.20288969024118 0.05546005450737 0.11163525667069 32.065 > 49 50 S 0.70288969024118 0.05546005450737 0.11163525667069 32.065 > 49 51 S 0.20288969024118 0.55546005450737 0.11163525667069 32.065 > 49 52 S 0.70288969024118 0.55546005450737 0.11163525667069 32.065 > 49 53 S 0.20288969024118 0.05546005450737 0.61163525667069 32.065 > 49 54 S 0.70288969024118 0.05546005450737 0.61163525667069 32.065 > 49 55 S 0.20288969024118 0.55546005450737 0.61163525667069 32.065 > 49 56 S 0.70288969024118 0.55546005450737 0.61163525667069 32.065 > 49 57 S 0.20288969024118 0.19453994549263 0.36163525667069 32.065 > 57 58 S 0.70288969024118 0.19453994549263 0.36163525667069 32.065 > 57 59 S 0.20288969024118 0.69453994549263 0.36163525667069 32.065 > 57 60 S 0.70288969024118 0.69453994549263 0.36163525667069 32.065 > 57 61 S 0.20288969024118 0.19453994549263 0.86163525667069 32.065 > 57 62 S 0.70288969024118 0.19453994549263 0.86163525667069 32.065 > 57 63 S 0.20288969024118 0.69453994549263 0.86163525667069 32.065 > 57 64 S 0.70288969024118 0.69453994549263 0.86163525667069 32.065 > 57 65 Cu 0.28509946215198 0.16798261570457 0.02521313910815 63.546 > 65 66 Cu 0.78509946215198 0.16798261570457 0.02521313910815 63.546 > 65 67 Cu 0.28509946215198 0.66798261570457 0.02521313910815 63.546 > 65 68 Cu 0.78509946215198 0.66798261570457 0.02521313910815 63.546 > 65 69 Cu 0.28509946215198 0.16798261570457 0.52521313910815 63.546 > 65 70 Cu 0.78509946215198 0.16798261570457 0.52521313910815 63.546 > 65 71 Cu 0.28509946215198 0.66798261570457 0.52521313910815 63.546 > 65 72 Cu 0.78509946215198 0.66798261570457 0.52521313910815 63.546 > 65 73 Cu 0.21490053784802 0.33201738429543 0.47478686089185 63.546 > 73 74 Cu 0.71490053784802 0.33201738429543 0.47478686089185 63.546 > 73 75 Cu 0.21490053784802 0.83201738429543 0.47478686089185 63.546 > 73 76 Cu 0.71490053784802 0.83201738429543 0.47478686089185 63.546 > 73 77 Cu 0.21490053784802 0.33201738429543 0.97478686089185 63.546 > 73 78 Cu 0.71490053784802 0.33201738429543 0.97478686089185 63.546 > 73 79 Cu 0.21490053784802 0.83201738429543 0.97478686089185 63.546 > 73 80 Cu 0.71490053784802 0.83201738429543 0.97478686089185 63.546 > 73 81 Cu 0.21490053784802 0.41798261570457 0.22478686089185 63.546 > 81 82 Cu 0.71490053784802 0.41798261570457 0.22478686089185 63.546 > 81 83 Cu 0.21490053784802 0.91798261570457 0.22478686089185 63.546 > 81 84 Cu 0.71490053784802 0.91798261570457 0.22478686089185 63.546 > 81 85 Cu 0.21490053784802 0.41798261570457 0.72478686089185 63.546 > 81 86 Cu 0.71490053784802 0.41798261570457 0.72478686089185 63.546 > 81 87 Cu 0.21490053784802 0.91798261570457 0.72478686089185 63.546 > 81 88 Cu 0.71490053784802 0.91798261570457 0.72478686089185 63.546 > 81 89 Cu 0.28509946215198 0.08201738429543 0.27521313910815 63.546 > 89 90 Cu 0.78509946215198 0.08201738429543 0.27521313910815 63.546 > 89 91 Cu 0.28509946215198 0.58201738429543 0.27521313910815 63.546 > 89 92 Cu 0.78509946215198 0.58201738429543 0.27521313910815 63.546 > 89 93 Cu 0.28509946215198 0.08201738429543 0.77521313910815 63.546 > 89 94 Cu 0.78509946215198 0.08201738429543 0.77521313910815 63.546 > 89 95 Cu 0.28509946215198 0.58201738429543 0.77521313910815 63.546 > 89 96 Cu 0.78509946215198 0.58201738429543 0.77521313910815 63.546 > 89 97 Nd 0.09510167595124 0.02532848517742 0.40060863483906 144.242 > 97 98 Nd 0.59510167595124 0.02532848517742 0.40060863483906 144.242 > 97 99 Nd 0.09510167595124 0.52532848517742 0.40060863483906 144.242 > 97 100 Nd 0.59510167595124 0.52532848517742 0.40060863483906 144.242 > 97 101 Nd 0.09510167595124 0.02532848517742 0.90060863483906 144.242 > 97 102 Nd 0.59510167595124 0.02532848517742 0.90060863483906 144.242 > 97 103 Nd 0.09510167595124 0.52532848517742 0.90060863483906 144.242 > 97 104 Nd 0.59510167595124 0.52532848517742 0.90060863483906 144.242 > 97 105 Nd 0.40489832404876 0.27532848517742 0.34939136516094 144.242 > 105 106 Nd 0.90489832404876 0.27532848517742 0.34939136516094 144.242 > 105 107 Nd 0.40489832404876 0.77532848517742 0.34939136516094 144.242 > 105 108 Nd 0.90489832404876 0.77532848517742 0.34939136516094 144.242 > 105 109 Nd 0.40489832404876 0.27532848517742 0.84939136516094 144.242 > 105 110 Nd 0.90489832404876 0.27532848517742 0.84939136516094 144.242 > 105 111 Nd 0.40489832404876 0.77532848517742 0.84939136516094 144.242 > 105 112 Nd 0.90489832404876 0.77532848517742 0.84939136516094 144.242 > 105 113 Nd 0.40489832404876 0.47467151482258 0.09939136516094 144.242 > 113 114 Nd 0.90489832404876 0.47467151482258 0.09939136516094 144.242 > 113 115 Nd 0.40489832404876 0.97467151482258 0.09939136516094 144.242 > 113 116 Nd 0.90489832404876 0.97467151482258 0.09939136516094 144.242 > 113 117 Nd 0.40489832404876 0.47467151482258 0.59939136516094 144.242 > 113 118 Nd 0.90489832404876 0.47467151482258 0.59939136516094 144.242 > 113 119 Nd 0.40489832404876 0.97467151482258 0.59939136516094 144.242 > 113 120 Nd 0.90489832404876 0.97467151482258 0.59939136516094 144.242 > 113 121 Nd 0.09510167595124 0.22467151482258 0.15060863483906 144.242 > 121 122 Nd 0.59510167595124 0.22467151482258 0.15060863483906 144.242 > 121 123 Nd 0.09510167595124 0.72467151482258 0.15060863483906 144.242 > 121 124 Nd 0.59510167595124 0.72467151482258 0.15060863483906 144.242 > 121 125 Nd 0.09510167595124 0.22467151482258 0.65060863483906 144.242 > 121 126 Nd 0.59510167595124 0.22467151482258 0.65060863483906 144.242 > 121 127 Nd 0.09510167595124 0.72467151482258 0.65060863483906 144.242 > 121 128 Nd 0.59510167595124 0.72467151482258 0.65060863483906 144.242 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.6923862 0.0000000 0.1259362 0.0000000 11.0059650 0.0000000 0.1259422 0.0000000 11.0958987 -------------------------- Born effective charges -------------------------- 1 S -2.3621678 0.0608140 0.1626513 0.0420369 -2.9065941 0.2030211 -0.0100961 0.3088043 -2.3453092 2 S -2.3621678 -0.0608140 0.1626513 -0.0420369 -2.9065941 -0.2030211 -0.0100961 -0.3088043 -2.3453092 3 S -2.3621678 0.0608140 0.1626513 0.0420369 -2.9065941 0.2030211 -0.0100961 0.3088043 -2.3453092 4 S -2.3621678 -0.0608140 0.1626513 -0.0420369 -2.9065941 -0.2030211 -0.0100961 -0.3088043 -2.3453092 5 S -2.2229584 0.4478060 -0.2586123 0.6241822 -2.5525826 -0.0790013 -0.0999551 -0.1622802 -2.6319069 6 S -2.2229584 -0.4478060 -0.2586123 -0.6241822 -2.5525826 0.0790013 -0.0999551 0.1622802 -2.6319069 7 S -2.2229584 0.4478060 -0.2586123 0.6241822 -2.5525826 -0.0790013 -0.0999551 -0.1622802 -2.6319069 8 S -2.2229584 -0.4478060 -0.2586123 -0.6241822 -2.5525826 0.0790013 -0.0999551 0.1622802 -2.6319069 9 Cu 0.3677025 0.0346790 0.0837802 0.0453928 0.6809385 0.2476749 0.0071024 0.1971258 0.9825787 10 Cu 0.3677025 0.0346790 0.0837802 0.0453928 0.6809385 0.2476749 0.0071024 0.1971258 0.9825787 11 Cu 0.3677025 -0.0346790 0.0837802 -0.0453928 0.6809385 -0.2476749 0.0071024 -0.1971258 0.9825787 12 Cu 0.3677025 -0.0346790 0.0837802 -0.0453928 0.6809385 -0.2476749 0.0071024 -0.1971258 0.9825787 13 Nd 4.2174237 -0.1663956 0.0121807 -0.1972343 4.7782382 0.0165407 0.1029488 0.2975633 3.9946375 14 Nd 4.2174237 0.1663956 0.0121807 0.1972343 4.7782382 -0.0165407 0.1029488 -0.2975633 3.9946375 15 Nd 4.2174237 -0.1663956 0.0121807 -0.1972343 4.7782382 0.0165407 0.1029488 0.2975633 3.9946375 16 Nd 4.2174237 0.1663956 0.0121807 0.1972343 4.7782382 -0.0165407 0.1029488 -0.2975633 3.9946375 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 8 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 299, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 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 1.950 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.965 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.532 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 6.988 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 7.344 ( 0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 0.000 0.000) 0.000 8.293 ( 0.000 0.000 0.000) 0.000 8.421 ( 0.000 0.000 0.000) 0.000 8.438 ( 0.000 0.000 0.000) 0.000 8.497 ( 0.000 0.000 0.000) 0.000 8.601 ( 0.000 0.000 0.000) 0.000 8.831 ( 0.000 0.000 0.000) 0.000 9.054 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.226 ( 0.000 0.000 0.000) 0.000 9.406 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.12 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 23.988 0.000 -0.372) 23.991 0.579 ( 28.159 0.000 2.235) 28.248 0.831 ( 40.099 0.000 10.811) 41.531 1.966 ( 1.496 0.000 0.088) 1.498 2.192 ( -5.426 0.000 -2.715) 6.068 2.312 ( 0.832 0.000 1.983) 2.150 2.497 ( -0.564 0.000 -2.765) 2.821 2.508 ( -1.172 0.000 -0.233) 1.195 2.625 ( -5.726 0.000 -1.416) 5.899 2.688 ( -0.938 0.000 1.766) 1.999 2.826 ( 1.060 0.000 4.923) 5.036 2.987 ( 4.096 0.000 1.895) 4.513 3.076 ( -3.688 0.000 2.742) 4.595 3.123 ( -2.239 0.000 -0.712) 2.350 3.318 ( 3.910 0.000 0.909) 4.014 3.343 ( -4.967 0.000 0.728) 5.020 3.404 ( -4.055 0.000 -1.830) 4.449 3.674 ( 1.217 0.000 -1.397) 1.853 3.753 ( -3.569 0.000 -0.831) 3.664 3.981 ( 0.583 0.000 -8.892) 8.911 4.256 ( 4.672 0.000 1.701) 4.972 4.429 ( -6.599 0.000 0.919) 6.663 4.581 ( 0.485 0.000 -3.016) 3.055 4.937 ( -3.353 0.000 -2.311) 4.072 6.001 ( -3.990 0.000 28.131) 28.412 6.136 ( 1.535 0.000 -1.244) 1.976 6.514 ( -1.221 0.000 -1.918) 2.274 6.576 ( 3.098 0.000 2.499) 3.980 6.670 ( 1.267 0.000 1.877) 2.264 6.990 ( 0.452 0.000 -1.077) 1.168 7.237 ( -0.310 0.000 3.080) 3.096 7.274 ( 2.026 0.000 -3.586) 4.119 7.318 ( -0.487 0.000 -0.255) 0.550 7.436 ( 6.728 0.000 -5.649) 8.785 7.449 ( -0.218 0.000 0.299) 0.370 7.600 ( -8.611 0.000 -6.983) 11.086 7.666 ( -2.211 0.000 0.828) 2.361 7.813 ( 0.302 0.000 -4.520) 4.530 8.290 ( -0.774 0.000 2.588) 2.701 8.313 ( -7.850 0.000 -1.376) 7.969 8.603 ( 3.246 0.000 -0.838) 3.352 8.614 ( 3.157 0.000 0.118) 3.159 8.847 ( -2.358 0.000 6.626) 7.033 8.857 ( 2.241 0.000 3.184) 3.894 9.033 ( -1.641 0.000 -2.755) 3.207 9.116 ( 1.173 0.000 1.073) 1.590 9.248 ( 1.938 0.000 0.625) 2.036 9.596 ( -0.150 0.000 -5.061) 5.063 ======================= Grid point 2 (3/116) ======================= 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 22.226 0.000 0.964) 22.247 1.094 ( 23.259 0.000 2.189) 23.362 1.602 ( 34.644 0.000 10.237) 36.125 2.005 ( 2.674 0.000 -0.772) 2.783 2.046 ( -8.475 0.000 -2.688) 8.891 2.328 ( 0.469 0.000 1.620) 1.687 2.426 ( -6.534 0.000 -6.953) 9.541 2.487 ( -0.554 0.000 -0.553) 0.782 2.542 ( -0.749 0.000 -1.241) 1.450 2.676 ( -0.712 0.000 3.870) 3.935 2.838 ( -0.479 0.000 2.586) 2.630 2.952 ( -9.845 0.000 5.933) 11.495 3.037 ( -4.840 0.000 -6.234) 7.892 3.110 ( 7.155 0.000 3.943) 8.169 3.234 ( -6.395 0.000 1.143) 6.497 3.368 ( 1.115 0.000 -1.791) 2.110 3.413 ( 4.559 0.000 0.826) 4.634 3.663 ( -4.915 0.000 -0.668) 4.960 3.688 ( 0.507 0.000 -1.533) 1.614 3.952 ( -1.781 0.000 -5.962) 6.223 4.250 ( -11.527 0.000 0.705) 11.549 4.352 ( 3.923 0.000 3.004) 4.941 4.584 ( 0.798 0.000 -4.680) 4.748 4.844 ( -5.292 0.000 -0.824) 5.355 5.994 ( -1.987 0.000 12.181) 12.342 6.171 ( 2.206 0.000 -1.707) 2.789 6.486 ( -1.159 0.000 -0.471) 1.251 6.650 ( 3.071 0.000 2.601) 4.024 6.702 ( 1.604 0.000 1.021) 1.901 7.006 ( 1.447 0.000 -0.939) 1.725 7.235 ( -0.965 0.000 2.744) 2.909 7.316 ( 0.079 0.000 1.292) 1.294 7.326 ( 3.690 0.000 -2.049) 4.220 7.333 ( -9.075 0.000 -4.636) 10.190 7.455 ( -5.100 0.000 -3.706) 6.305 7.581 ( 8.838 0.000 -1.163) 8.914 7.669 ( 1.638 0.000 3.894) 4.225 7.806 ( 0.025 0.000 -2.950) 2.951 8.170 ( -5.359 0.000 -2.231) 5.805 8.272 ( -2.132 0.000 4.153) 4.668 8.557 ( -3.971 0.000 -2.548) 4.719 8.729 ( 4.773 0.000 0.242) 4.779 8.802 ( -3.544 0.000 3.469) 4.959 8.915 ( 2.355 0.000 2.576) 3.490 8.986 ( -1.993 0.000 -3.915) 4.393 9.155 ( 2.253 0.000 2.251) 3.185 9.295 ( 2.347 0.000 0.892) 2.511 9.575 ( -0.883 0.000 -2.454) 2.608 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.38 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 18.143 0.000 2.099) 18.265 1.479 ( 15.016 0.000 2.545) 15.230 1.869 ( -8.223 0.000 -2.583) 8.619 1.969 ( -1.213 0.000 3.163) 3.387 2.235 ( 9.151 0.000 5.309) 10.579 2.274 ( 2.878 0.000 -7.587) 8.114 2.342 ( 0.623 0.000 0.838) 1.044 2.492 ( 1.495 0.000 -1.333) 2.003 2.601 ( 9.901 0.000 -2.245) 10.152 2.685 ( -0.000 0.000 5.449) 5.449 2.774 ( -7.900 0.000 3.561) 8.666 2.835 ( 0.275 0.000 0.760) 0.809 2.912 ( -5.803 0.000 -5.851) 8.240 3.124 ( -4.434 0.000 -0.380) 4.451 3.237 ( 1.041 0.000 3.588) 3.736 3.399 ( 1.620 0.000 -0.225) 1.636 3.423 ( -3.020 0.000 -1.257) 3.271 3.631 ( 3.019 0.000 3.119) 4.341 3.688 ( 0.029 0.000 -1.085) 1.085 3.882 ( -3.828 0.000 -4.441) 5.863 4.013 ( -11.344 0.000 -0.897) 11.380 4.417 ( 1.948 0.000 2.522) 3.186 4.586 ( 0.475 0.000 -3.612) 3.643 4.747 ( -3.949 0.000 -0.140) 3.952 5.986 ( -0.991 0.000 5.179) 5.273 6.206 ( 1.529 0.000 -1.187) 1.936 6.469 ( -0.595 0.000 0.154) 0.614 6.693 ( 0.908 0.000 1.516) 1.767 6.739 ( 1.729 0.000 0.247) 1.747 7.035 ( 1.407 0.000 -0.277) 1.434 7.148 ( -5.528 0.000 -3.571) 6.581 7.252 ( -0.019 0.000 1.660) 1.660 7.321 ( 0.053 0.000 1.425) 1.426 7.351 ( -4.326 0.000 -2.155) 4.833 7.391 ( 2.909 0.000 -1.285) 3.180 7.695 ( -0.570 0.000 3.384) 3.431 7.750 ( 5.500 0.000 3.051) 6.290 7.814 ( 3.889 0.000 -4.937) 6.285 8.123 ( 1.097 0.000 -0.982) 1.472 8.220 ( -4.223 0.000 3.793) 5.676 8.457 ( -4.988 0.000 -2.349) 5.513 8.736 ( -3.296 0.000 1.046) 3.458 8.793 ( 1.883 0.000 -0.062) 1.884 8.946 ( -1.056 0.000 -2.425) 2.645 8.955 ( 1.233 0.000 0.893) 1.523 9.203 ( 1.734 0.000 1.807) 2.505 9.336 ( 1.478 0.000 0.671) 1.623 9.553 ( -0.739 0.000 -1.189) 1.400 ======================= Grid point 4 (5/116) ======================= 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 0.000 -0.000) 0.000 1.673 ( -0.000 0.000 -0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 -0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 -0.000) 0.000 2.747 ( 0.000 0.000 -0.000) 0.000 2.780 ( 0.000 0.000 -0.000) 0.000 2.822 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 -0.000) 0.000 3.052 ( -0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.802 ( -0.000 0.000 -0.000) 0.000 3.882 ( 0.000 0.000 -0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 -0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 5.983 ( 0.000 0.000 -0.000) 0.000 6.220 ( 0.000 0.000 -0.000) 0.000 6.463 ( 0.000 0.000 -0.000) 0.000 6.703 ( 0.000 0.000 -0.000) 0.000 6.758 ( 0.000 0.000 -0.000) 0.000 7.053 ( 0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 0.000) 0.000 7.267 ( 0.000 0.000 -0.000) 0.000 7.292 ( 0.000 0.000 0.000) 0.000 7.324 ( 0.000 0.000 -0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.686 ( 0.000 0.000 -0.000) 0.000 7.777 ( 0.000 0.000 -0.000) 0.000 7.904 ( 0.000 0.000 0.000) 0.000 8.153 ( 0.000 0.000 -0.000) 0.000 8.160 ( 0.000 0.000 -0.000) 0.000 8.390 ( 0.000 0.000 -0.000) 0.000 8.701 ( 0.000 0.000 0.000) 0.000 8.810 ( 0.000 0.000 -0.000) 0.000 8.933 ( 0.000 0.000 0.000) 0.000 8.968 ( 0.000 0.000 -0.000) 0.000 9.223 ( 0.000 0.000 -0.000) 0.000 9.352 ( 0.000 0.000 -0.000) 0.000 9.544 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/116) ======================= 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.000 26.792 0.000) 26.792 0.622 ( 0.000 30.362 0.000) 30.362 1.061 ( 0.000 50.946 0.000) 50.946 1.958 ( 0.000 0.682 0.000) 0.682 2.263 ( 0.000 -0.162 0.000) 0.162 2.281 ( 0.000 -0.178 0.000) 0.178 2.442 ( 0.000 -3.511 0.000) 3.511 2.605 ( 0.000 5.954 0.000) 5.954 2.634 ( 0.000 -6.304 0.000) 6.304 2.754 ( 0.000 5.846 0.000) 5.846 2.832 ( 0.000 2.005 0.000) 2.005 2.923 ( 0.000 -2.378 0.000) 2.378 3.019 ( 0.000 -6.964 0.000) 6.964 3.070 ( 0.000 -3.260 0.000) 3.260 3.346 ( 0.000 2.252 0.000) 2.252 3.453 ( 0.000 1.473 0.000) 1.473 3.461 ( 0.000 0.294 0.000) 0.294 3.649 ( 0.000 -3.613 0.000) 3.613 3.686 ( 0.000 2.587 0.000) 2.587 3.850 ( 0.000 3.186 0.000) 3.186 4.148 ( 0.000 -4.898 0.000) 4.898 4.471 ( 0.000 -2.022 0.000) 2.022 4.504 ( 0.000 -7.567 0.000) 7.567 4.892 ( 0.000 -7.086 0.000) 7.086 5.893 ( 0.000 4.218 0.000) 4.218 6.548 ( 0.000 1.606 0.000) 1.606 6.564 ( 0.000 0.190 0.000) 0.190 6.621 ( 0.000 -0.941 0.000) 0.941 6.796 ( 0.000 -1.857 0.000) 1.857 6.991 ( 0.000 0.649 0.000) 0.649 7.150 ( 0.000 0.828 0.000) 0.828 7.164 ( 0.000 -4.674 0.000) 4.674 7.274 ( 0.000 1.548 0.000) 1.548 7.361 ( 0.000 2.741 0.000) 2.741 7.424 ( 0.000 2.749 0.000) 2.749 7.710 ( 0.000 1.573 0.000) 1.573 7.761 ( 0.000 7.853 0.000) 7.853 8.260 ( 0.000 -2.575 0.000) 2.575 8.334 ( 0.000 1.681 0.000) 1.681 8.360 ( 0.000 -5.018 0.000) 5.018 8.439 ( 0.000 -0.748 0.000) 0.748 8.589 ( 0.000 -1.218 0.000) 1.218 8.775 ( 0.000 -0.419 0.000) 0.419 8.815 ( 0.000 -1.525 0.000) 1.525 9.051 ( 0.000 -0.246 0.000) 0.246 9.085 ( 0.000 -1.453 0.000) 1.453 9.435 ( 0.000 2.359 0.000) 2.359 9.467 ( 0.000 0.496 0.000) 0.496 ======================= Grid point 10 (7/116) ======================= q-point: ( 0.12 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 14.769 18.356 6.320) 24.393 0.745 ( 14.059 21.706 1.946) 25.935 1.362 ( 23.672 37.320 3.300) 44.317 1.975 ( 1.698 1.101 -0.140) 2.029 2.211 ( -3.831 1.768 -2.930) 5.136 2.304 ( 0.799 -0.737 1.994) 2.271 2.436 ( -0.685 -3.614 -0.783) 3.760 2.585 ( -2.320 4.765 -1.003) 5.394 2.610 ( -1.692 -4.094 0.240) 4.436 2.704 ( -3.981 4.135 -1.788) 6.012 2.840 ( 0.030 -0.149 1.986) 1.992 2.972 ( 3.566 -1.603 3.112) 4.997 3.016 ( -0.768 -5.832 1.271) 6.018 3.046 ( -2.519 -2.767 0.818) 3.830 3.328 ( 0.561 0.758 -0.159) 0.956 3.353 ( -7.339 -0.204 1.820) 7.564 3.457 ( -1.231 3.774 -2.513) 4.699 3.632 ( -0.435 -3.692 -1.726) 4.099 3.760 ( 1.268 0.577 -0.821) 1.617 3.888 ( 3.812 -1.735 -3.142) 5.236 4.214 ( 5.144 -4.291 1.500) 6.864 4.421 ( -5.068 -0.699 0.306) 5.125 4.514 ( 1.268 -6.654 -2.347) 7.169 4.863 ( -2.874 -6.643 0.000) 7.238 5.919 ( 1.623 2.235 4.639) 5.399 6.529 ( -6.280 5.653 -1.052) 8.515 6.543 ( -7.554 8.734 4.634) 12.443 6.603 ( 2.878 -0.286 0.813) 3.004 6.657 ( 0.649 2.633 4.012) 4.842 6.969 ( 0.038 -1.360 0.542) 1.465 7.139 ( -0.358 -6.166 3.349) 7.026 7.265 ( 2.091 -0.845 -5.403) 5.855 7.327 ( 5.112 -1.060 -1.090) 5.333 7.383 ( 2.158 3.031 0.715) 3.789 7.437 ( 0.253 -0.708 0.699) 1.027 7.656 ( -5.963 3.562 -4.908) 8.505 7.731 ( -0.707 6.931 -0.097) 6.968 8.068 ( -10.555 10.012 -3.958) 15.077 8.273 ( -1.242 -1.320 1.717) 2.496 8.319 ( -7.287 -0.234 -3.124) 7.932 8.524 ( 4.539 -5.780 -0.358) 7.358 8.600 ( 1.992 -1.414 -0.563) 2.507 8.791 ( 1.437 -1.559 3.576) 4.157 8.860 ( 1.946 -2.026 3.770) 4.702 9.012 ( -2.737 -0.754 -0.804) 2.951 9.102 ( 1.150 -1.280 0.871) 1.928 9.342 ( -1.871 5.709 -0.036) 6.008 9.551 ( 2.061 -2.520 -3.184) 4.553 ======================= Grid point 11 (8/116) ======================= 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 18.775 12.765 0.078) 22.704 1.115 ( 20.774 5.405 5.412) 22.138 1.815 ( 15.831 13.752 8.300) 22.553 2.027 ( 4.480 5.386 -1.406) 7.145 2.106 ( -4.738 4.457 -2.602) 7.006 2.331 ( 2.215 1.182 1.810) 3.095 2.398 ( -3.378 -2.553 -3.138) 5.270 2.526 ( -2.641 3.187 -3.636) 5.510 2.568 ( -2.053 0.969 0.149) 2.275 2.646 ( -0.693 -1.900 2.194) 2.984 2.830 ( -1.992 -2.270 -0.997) 3.181 2.913 ( -6.778 -1.820 6.528) 9.585 2.999 ( -2.459 -2.613 -4.234) 5.550 3.105 ( 5.763 -0.515 3.267) 6.645 3.207 ( -6.274 -1.107 2.983) 7.035 3.358 ( 1.625 -1.003 -1.779) 2.610 3.454 ( 1.854 1.997 -2.258) 3.539 3.626 ( 0.337 -1.565 -1.126) 1.957 3.742 ( -1.949 3.992 -0.097) 4.443 3.913 ( -0.742 -3.242 -3.969) 5.178 4.276 ( -9.327 2.483 -0.044) 9.652 4.314 ( 3.730 -3.895 2.441) 5.920 4.538 ( 1.726 -4.602 -3.939) 6.298 4.790 ( -4.135 -4.924 0.173) 6.432 5.964 ( 1.509 1.104 4.767) 5.121 6.361 ( -5.554 11.210 1.161) 12.564 6.528 ( -0.101 3.916 0.241) 3.925 6.676 ( 3.475 -0.453 1.457) 3.795 6.695 ( 1.581 2.368 3.172) 4.263 6.983 ( 1.138 -1.994 0.099) 2.298 7.144 ( 0.065 -5.707 2.714) 6.320 7.255 ( -2.686 -1.303 -4.234) 5.180 7.377 ( -2.327 -0.861 -0.399) 2.513 7.384 ( 1.043 3.067 3.314) 4.635 7.472 ( -1.236 2.213 -5.297) 5.872 7.543 ( 2.659 1.056 -2.027) 3.507 7.746 ( 1.120 5.305 2.792) 6.099 7.934 ( -2.648 8.258 -3.298) 9.278 8.175 ( -5.382 0.103 -2.381) 5.886 8.249 ( -2.395 -1.713 2.828) 4.083 8.498 ( -4.285 -5.028 -1.516) 6.778 8.693 ( 5.181 -2.908 -1.504) 6.129 8.814 ( -0.518 0.608 3.351) 3.444 8.905 ( 1.842 -1.531 2.978) 3.822 8.950 ( -3.036 -2.128 -2.528) 4.487 9.136 ( 1.888 -1.798 2.083) 3.337 9.343 ( 1.185 3.767 0.338) 3.963 9.553 ( -0.531 -1.831 -2.390) 3.057 ======================= Grid point 12 (9/116) ======================= q-point: ( 0.38 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 15.210 8.102 2.094) 17.360 1.509 ( 17.470 2.554 1.795) 17.747 1.866 ( -5.832 1.199 0.621) 5.986 2.036 ( -1.564 4.674 1.682) 5.208 2.157 ( 1.965 -4.922 1.354) 5.470 2.268 ( -6.747 0.680 -4.805) 8.311 2.427 ( 3.338 5.064 1.724) 6.306 2.496 ( 0.709 1.154 -1.704) 2.177 2.576 ( 3.099 -3.355 1.711) 4.877 2.694 ( 4.206 -1.652 1.234) 4.685 2.722 ( -6.648 -2.090 1.029) 7.045 2.864 ( 0.134 0.246 0.831) 0.877 2.915 ( -3.737 1.542 -2.703) 4.863 3.094 ( -2.308 -1.796 0.364) 2.947 3.271 ( 6.247 3.788 2.844) 7.840 3.381 ( 1.482 -1.809 -2.669) 3.548 3.468 ( -1.255 2.542 -0.936) 2.985 3.660 ( 3.407 2.554 1.402) 4.483 3.706 ( -1.254 2.757 0.263) 3.040 3.856 ( -3.357 -2.971 -1.767) 4.819 4.060 ( -11.441 5.148 -2.119) 12.724 4.381 ( 2.483 -3.498 2.265) 4.851 4.546 ( -0.242 -4.090 -3.120) 5.150 4.723 ( -2.257 -2.204 0.148) 3.158 5.997 ( 0.746 1.849 2.926) 3.541 6.295 ( -1.844 6.798 -0.389) 7.054 6.531 ( 0.229 5.531 0.380) 5.549 6.726 ( 1.081 2.100 1.547) 2.823 6.735 ( 1.884 0.719 1.017) 2.258 7.008 ( 1.160 -2.606 0.116) 2.854 7.144 ( -1.968 -2.389 -0.113) 3.097 7.174 ( -1.507 -1.611 -1.450) 2.640 7.301 ( -4.183 -2.332 -1.011) 4.895 7.400 ( -0.671 3.187 0.628) 3.317 7.448 ( 1.681 5.160 -1.569) 5.649 7.644 ( 2.650 -2.984 2.156) 4.536 7.782 ( 3.614 2.727 0.914) 4.618 7.916 ( -0.072 6.601 -2.152) 6.943 8.131 ( 2.031 -0.054 -1.019) 2.273 8.194 ( -3.797 -2.056 2.532) 5.006 8.389 ( -6.158 -5.065 -1.343) 8.086 8.759 ( 1.003 0.268 -1.118) 1.526 8.798 ( -0.308 1.281 0.836) 1.560 8.893 ( -2.006 -4.014 -1.310) 4.675 8.942 ( 1.207 -1.577 1.124) 2.282 9.176 ( 1.418 -2.582 1.624) 3.363 9.372 ( 1.357 2.823 0.613) 3.191 9.531 ( -0.927 -1.904 -1.428) 2.554 ======================= Grid point 13 (10/116) ======================= 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.000 4.637 0.000) 4.637 1.753 ( -0.000 1.990 -0.000) 1.990 1.762 ( 0.000 7.180 0.000) 7.180 1.973 ( 0.000 5.896 -0.000) 5.896 2.164 ( 0.000 -13.544 0.000) 13.544 2.190 ( 0.000 0.312 -0.000) 0.312 2.448 ( 0.000 2.271 -0.000) 2.271 2.508 ( 0.000 -0.124 0.000) 0.124 2.637 ( 0.000 -2.454 0.000) 2.454 2.638 ( 0.000 -6.291 -0.000) 6.291 2.719 ( 0.000 -1.586 -0.000) 1.586 2.878 ( 0.000 4.000 0.000) 4.000 2.899 ( 0.000 -5.317 -0.000) 5.317 3.089 ( 0.000 -0.245 -0.000) 0.245 3.337 ( 0.000 18.300 0.000) 18.300 3.404 ( 0.000 -2.955 -0.000) 2.955 3.430 ( 0.000 1.480 -0.000) 1.480 3.702 ( 0.000 1.696 0.000) 1.696 3.714 ( 0.000 -1.828 -0.000) 1.828 3.847 ( 0.000 4.738 0.000) 4.738 3.875 ( -0.000 1.391 -0.000) 1.391 4.414 ( 0.000 -2.444 0.000) 2.444 4.530 ( 0.000 -5.195 -0.000) 5.195 4.704 ( 0.000 -0.607 0.000) 0.607 6.008 ( 0.000 2.490 -0.000) 2.490 6.277 ( 0.000 4.950 0.000) 4.950 6.535 ( 0.000 6.174 -0.000) 6.174 6.738 ( 0.000 3.389 0.000) 3.389 6.756 ( 0.000 -0.047 0.000) 0.047 7.021 ( 0.000 -3.074 0.000) 3.074 7.106 ( 0.000 1.752 -0.000) 1.752 7.178 ( 0.000 -4.309 0.000) 4.309 7.249 ( 0.000 -2.813 -0.000) 2.813 7.393 ( 0.000 3.210 0.000) 3.210 7.467 ( 0.000 4.595 0.000) 4.595 7.655 ( 0.000 -1.871 -0.000) 1.871 7.869 ( -0.000 5.319 -0.000) 5.319 7.887 ( 0.000 -0.340 0.000) 0.340 8.146 ( 0.000 -1.216 0.000) 1.216 8.200 ( -0.000 3.721 -0.000) 3.721 8.286 ( 0.000 -8.382 -0.000) 8.382 8.749 ( 0.000 3.524 0.000) 3.524 8.812 ( 0.000 0.206 -0.000) 0.206 8.868 ( 0.000 -5.593 0.000) 5.593 8.956 ( 0.000 -1.403 -0.000) 1.403 9.193 ( 0.000 -2.961 0.000) 2.961 9.388 ( 0.000 2.815 0.000) 2.815 9.518 ( 0.000 -2.228 0.000) 2.228 ======================= Grid point 18 (11/116) ======================= 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.000 24.086 0.000) 24.086 1.209 ( 0.000 27.793 0.000) 27.793 1.886 ( 0.000 9.807 0.000) 9.807 2.068 ( 0.000 27.441 0.000) 27.441 2.261 ( 0.000 0.735 0.000) 0.735 2.291 ( 0.000 1.226 0.000) 1.226 2.378 ( 0.000 -2.741 0.000) 2.741 2.472 ( 0.000 -9.049 0.000) 9.049 2.691 ( 0.000 -11.109 0.000) 11.109 2.744 ( 0.000 7.436 0.000) 7.436 2.873 ( 0.000 4.479 0.000) 4.479 2.955 ( 0.000 -0.965 0.000) 0.965 2.990 ( 0.000 7.028 0.000) 7.028 3.006 ( 0.000 -1.548 0.000) 1.548 3.332 ( 0.000 -3.618 0.000) 3.618 3.479 ( 0.000 1.568 0.000) 1.568 3.480 ( 0.000 1.936 0.000) 1.936 3.619 ( 0.000 0.321 0.000) 0.321 3.739 ( 0.000 2.178 0.000) 2.178 3.888 ( 0.000 0.464 0.000) 0.464 4.011 ( 0.000 -8.399 0.000) 8.399 4.272 ( 0.000 -15.781 0.000) 15.781 4.430 ( 0.000 -1.476 0.000) 1.476 4.705 ( 0.000 -10.374 0.000) 10.374 6.007 ( 0.000 6.832 0.000) 6.832 6.472 ( 0.000 -7.000 0.000) 7.000 6.593 ( 0.000 2.718 0.000) 2.718 6.671 ( 0.000 3.330 0.000) 3.330 6.745 ( 0.000 -2.548 0.000) 2.548 6.949 ( 0.000 -5.147 0.000) 5.147 7.136 ( 0.000 2.421 0.000) 2.421 7.193 ( 0.000 3.059 0.000) 3.059 7.323 ( 0.000 2.784 0.000) 2.784 7.455 ( 0.000 0.148 0.000) 0.148 7.464 ( 0.000 7.364 0.000) 7.364 7.744 ( 0.000 1.325 0.000) 1.325 7.934 ( 0.000 8.795 0.000) 8.795 8.198 ( 0.000 -3.299 0.000) 3.299 8.239 ( 0.000 -6.363 0.000) 6.363 8.377 ( 0.000 2.589 0.000) 2.589 8.399 ( 0.000 -3.476 0.000) 3.476 8.553 ( 0.000 -2.313 0.000) 2.313 8.764 ( 0.000 -0.722 0.000) 0.722 8.777 ( 0.000 -1.914 0.000) 1.914 9.046 ( 0.000 -0.261 0.000) 0.261 9.059 ( 0.000 -1.001 0.000) 1.001 9.479 ( 0.000 1.746 0.000) 1.746 9.480 ( 0.000 0.783 0.000) 0.783 ======================= Grid point 19 (12/116) ======================= q-point: ( 0.12 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 6.545 21.912 4.291) 23.268 1.231 ( 3.812 24.969 2.310) 25.364 1.913 ( 1.614 4.063 3.068) 5.341 2.144 ( 5.389 19.425 -1.570) 20.220 2.266 ( -1.040 4.278 -3.161) 5.420 2.289 ( 1.271 -0.350 1.894) 2.307 2.376 ( 0.400 -0.393 0.654) 0.861 2.472 ( 0.585 -6.529 0.337) 6.564 2.651 ( -3.834 -4.372 3.270) 6.672 2.742 ( -1.114 2.451 -5.559) 6.177 2.845 ( -1.800 4.699 -1.031) 5.136 2.955 ( -0.864 -0.247 4.191) 4.287 2.983 ( -1.418 -0.150 -0.552) 1.530 3.033 ( 3.560 4.584 0.332) 5.813 3.310 ( -0.871 -3.063 -0.956) 3.324 3.351 ( -8.490 0.431 2.667) 8.910 3.511 ( -4.507 0.039 -3.178) 5.515 3.576 ( 2.513 0.565 -1.312) 2.891 3.778 ( 2.590 0.032 -1.035) 2.789 3.889 ( 0.098 0.971 -0.117) 0.983 4.091 ( 5.340 -7.765 2.017) 9.637 4.309 ( 3.846 -13.061 -2.736) 13.887 4.417 ( -1.441 0.006 0.524) 1.534 4.693 ( -1.242 -9.335 0.473) 9.429 6.018 ( 0.861 6.657 1.330) 6.842 6.495 ( 1.566 -7.013 1.522) 7.345 6.591 ( -0.580 3.027 -1.627) 3.485 6.667 ( -0.340 3.748 0.706) 3.829 6.741 ( 0.271 1.326 2.553) 2.890 6.954 ( -0.012 -2.819 2.852) 4.010 7.055 ( -3.666 1.022 3.060) 4.883 7.252 ( 2.021 -0.041 -1.899) 2.773 7.367 ( 3.580 2.828 0.723) 4.619 7.431 ( -2.107 -0.284 -1.699) 2.722 7.476 ( 1.469 6.807 -1.682) 7.164 7.722 ( -2.735 2.840 -1.146) 4.106 7.891 ( -2.697 8.373 -0.636) 8.819 8.136 ( -5.536 -1.270 1.238) 5.813 8.245 ( -0.589 -5.925 -4.102) 7.231 8.259 ( -5.882 -1.019 -0.533) 5.993 8.462 ( 1.455 -0.608 -2.295) 2.784 8.557 ( 0.853 -2.756 -1.508) 3.256 8.775 ( 1.664 -0.539 2.480) 3.034 8.802 ( 1.377 -2.916 3.414) 4.696 9.009 ( -2.589 0.376 0.140) 2.620 9.076 ( 0.733 -1.266 0.736) 1.638 9.431 ( -1.824 3.192 -0.168) 3.680 9.518 ( 1.082 -1.001 -1.738) 2.279 ======================= Grid point 20 (13/116) ======================= 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 10.554 14.563 4.105) 18.448 1.405 ( 11.657 17.629 2.396) 21.270 1.945 ( 0.267 2.232 4.346) 4.893 2.164 ( -4.668 0.539 0.709) 4.752 2.203 ( -1.942 4.927 -2.304) 5.775 2.324 ( 0.209 -4.332 0.667) 4.388 2.394 ( 0.108 -2.676 2.446) 3.627 2.537 ( 3.129 -1.979 -0.481) 3.733 2.588 ( -0.524 6.527 1.135) 6.645 2.658 ( -4.941 3.610 -6.804) 9.151 2.805 ( -2.645 2.412 1.569) 3.909 2.912 ( -3.930 1.181 2.173) 4.643 2.974 ( 0.635 0.059 -2.606) 2.683 3.106 ( -1.134 1.463 2.857) 3.404 3.230 ( 1.487 4.363 3.378) 5.715 3.310 ( 0.558 -4.361 -2.838) 5.233 3.436 ( -0.747 -3.829 -3.638) 5.334 3.644 ( 4.037 3.405 -1.216) 5.420 3.803 ( 0.209 -1.376 -1.076) 1.759 3.877 ( -1.738 3.204 0.435) 3.671 4.190 ( 4.320 -8.065 2.426) 9.465 4.330 ( -3.695 0.524 -3.058) 4.825 4.416 ( 2.605 -5.477 -0.717) 6.107 4.665 ( -1.353 -6.943 0.604) 7.099 6.044 ( 1.318 6.121 1.523) 6.444 6.478 ( -3.806 -1.600 -1.190) 4.297 6.594 ( 2.036 3.341 0.907) 4.016 6.692 ( 2.284 3.579 1.803) 4.613 6.772 ( 1.685 3.080 3.261) 4.792 6.958 ( -0.363 0.513 3.015) 3.080 7.034 ( 0.336 -4.827 2.377) 5.391 7.245 ( -2.105 -0.816 -1.341) 2.626 7.369 ( -3.468 -0.086 -3.224) 4.736 7.439 ( 2.955 2.890 2.087) 4.630 7.509 ( 2.092 3.656 -2.274) 4.787 7.645 ( -2.942 6.428 -2.125) 7.382 7.861 ( -0.997 6.137 0.948) 6.289 8.029 ( -4.234 0.981 -0.167) 4.350 8.136 ( -4.751 -4.522 -2.302) 6.951 8.227 ( -1.863 -0.856 -0.851) 2.219 8.417 ( -4.185 -1.671 -1.300) 4.690 8.609 ( 4.326 -5.859 -3.630) 8.138 8.811 ( 0.713 -1.036 3.535) 3.753 8.851 ( 2.372 -2.233 3.072) 4.477 8.948 ( -3.492 1.392 -1.244) 3.960 9.093 ( 0.706 -2.357 1.726) 3.005 9.412 ( -0.102 2.828 0.036) 2.830 9.516 ( -0.592 -1.702 -1.910) 2.626 ======================= Grid point 21 (14/116) ======================= q-point: ( 0.38 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 14.207 5.060 2.184) 15.238 1.640 ( 10.915 12.333 1.008) 16.500 1.929 ( -3.130 4.465 3.091) 6.268 2.049 ( -5.708 -3.030 2.629) 6.976 2.157 ( -3.283 3.542 -1.488) 5.054 2.269 ( -4.974 -0.954 -2.532) 5.662 2.426 ( 2.081 -8.312 5.572) 10.221 2.509 ( -1.680 -4.691 -1.253) 5.138 2.550 ( -3.335 4.403 -4.206) 6.942 2.625 ( -0.357 3.203 -1.875) 3.729 2.764 ( -2.653 2.657 0.604) 3.803 2.835 ( -2.738 -0.566 3.736) 4.666 2.974 ( -0.201 3.203 -1.453) 3.523 3.057 ( -1.016 -1.917 1.817) 2.830 3.300 ( -0.087 -5.913 -3.370) 6.806 3.396 ( 8.760 6.986 -0.883) 11.240 3.462 ( 4.248 -3.876 -0.652) 5.788 3.700 ( -0.003 -0.448 -1.814) 1.869 3.820 ( 0.792 2.768 1.562) 3.275 3.829 ( 0.234 8.756 1.438) 8.877 4.192 ( -8.897 6.773 -2.413) 11.439 4.281 ( 4.303 -6.162 1.774) 7.722 4.434 ( -1.041 -6.339 -1.762) 6.661 4.656 ( 0.242 -4.705 0.313) 4.722 6.072 ( 1.058 5.428 0.893) 5.602 6.399 ( -3.096 1.818 -1.060) 3.743 6.636 ( 1.572 4.255 0.687) 4.588 6.744 ( 2.071 1.923 1.198) 3.070 6.816 ( 1.992 4.919 2.724) 5.966 6.955 ( -0.576 -1.176 1.154) 1.746 7.055 ( 0.704 -4.611 1.695) 4.963 7.196 ( -1.582 0.190 -0.892) 1.826 7.279 ( -4.450 0.394 -2.670) 5.204 7.468 ( -0.328 5.029 0.309) 5.049 7.550 ( 2.804 0.468 -0.937) 2.993 7.620 ( -0.765 4.039 1.405) 4.344 7.852 ( 1.112 3.803 -1.315) 4.174 7.984 ( -1.931 0.222 1.187) 2.277 8.065 ( -1.529 -6.304 -1.938) 6.770 8.189 ( -0.979 1.661 -0.458) 1.982 8.329 ( -4.142 -0.148 0.008) 4.145 8.681 ( 3.460 -7.953 -3.104) 9.212 8.822 ( -0.323 -0.258 3.129) 3.156 8.864 ( -2.915 2.625 -0.424) 3.946 8.904 ( 1.037 -1.859 0.187) 2.137 9.107 ( 0.272 -4.035 1.179) 4.212 9.422 ( 0.827 1.837 0.569) 2.093 9.492 ( -1.172 -1.696 -1.496) 2.547 ======================= Grid point 22 (15/116) ======================= 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.000 9.256 0.000) 9.256 1.821 ( 0.000 2.052 -0.000) 2.052 1.894 ( 0.000 4.437 -0.000) 4.437 1.927 ( -0.000 -3.769 -0.000) 3.769 2.101 ( 0.000 3.970 -0.000) 3.970 2.201 ( 0.000 0.850 0.000) 0.850 2.463 ( -0.000 -4.804 -0.000) 4.804 2.494 ( 0.000 -10.129 -0.000) 10.129 2.514 ( 0.000 3.374 0.000) 3.374 2.607 ( 0.000 4.669 -0.000) 4.669 2.715 ( 0.000 -0.795 0.000) 0.795 2.830 ( 0.000 -0.027 -0.000) 0.027 2.967 ( 0.000 4.575 -0.000) 4.575 3.057 ( 0.000 -2.672 -0.000) 2.672 3.295 ( 0.000 -6.818 -0.000) 6.818 3.456 ( 0.000 -1.133 0.000) 1.133 3.604 ( 0.000 -5.996 0.000) 5.996 3.623 ( -0.000 5.966 0.000) 5.966 3.792 ( 0.000 9.087 -0.000) 9.087 3.967 ( -0.000 6.289 -0.000) 6.289 4.008 ( 0.000 11.310 0.000) 11.310 4.350 ( 0.000 -3.584 0.000) 3.584 4.394 ( -0.000 -7.920 -0.000) 7.920 4.662 ( 0.000 -3.967 0.000) 3.967 6.084 ( 0.000 5.096 -0.000) 5.096 6.366 ( 0.000 2.188 0.000) 2.188 6.653 ( 0.000 4.753 -0.000) 4.753 6.766 ( 0.000 1.176 0.000) 1.176 6.847 ( 0.000 7.873 -0.000) 7.873 6.947 ( 0.000 -3.637 0.000) 3.637 7.062 ( 0.000 -3.905 0.000) 3.905 7.201 ( 0.000 3.172 0.000) 3.172 7.206 ( -0.000 -1.718 -0.000) 1.718 7.461 ( 0.000 5.191 0.000) 5.191 7.593 ( -0.000 -5.258 0.000) 5.258 7.598 ( 0.000 8.107 -0.000) 8.107 7.896 ( -0.000 -2.732 0.000) 2.732 7.933 ( 0.000 5.182 -0.000) 5.182 8.053 ( 0.000 -9.232 0.000) 9.232 8.195 ( -0.000 1.088 -0.000) 1.088 8.276 ( 0.000 3.637 -0.000) 3.637 8.713 ( 0.000 -8.993 -0.000) 8.993 8.821 ( 0.000 0.713 0.000) 0.713 8.828 ( 0.000 3.548 0.000) 3.548 8.918 ( 0.000 -2.070 -0.000) 2.070 9.111 ( 0.000 -4.959 0.000) 4.959 9.436 ( 0.000 1.602 0.000) 1.602 9.474 ( -0.000 -1.814 -0.000) 1.814 ======================= Grid point 27 (16/116) ======================= 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.000 19.049 0.000) 19.049 1.730 ( 0.000 23.758 0.000) 23.758 1.806 ( 0.000 -10.477 0.000) 10.477 2.143 ( 0.000 -15.791 0.000) 15.791 2.278 ( 0.000 -0.270 0.000) 0.270 2.303 ( 0.000 -1.305 0.000) 1.305 2.359 ( 0.000 2.177 0.000) 2.177 2.443 ( 0.000 -5.453 0.000) 5.453 2.738 ( 0.000 12.913 0.000) 12.913 2.853 ( 0.000 -0.583 0.000) 0.583 2.899 ( 0.000 2.972 0.000) 2.972 2.948 ( 0.000 -0.536 0.000) 0.536 3.070 ( 0.000 6.255 0.000) 6.255 3.197 ( 0.000 -0.496 0.000) 0.496 3.261 ( 0.000 15.248 0.000) 15.248 3.520 ( 0.000 1.640 0.000) 1.640 3.563 ( 0.000 4.448 0.000) 4.448 3.630 ( 0.000 2.232 0.000) 2.232 3.722 ( 0.000 -7.871 0.000) 7.871 3.809 ( 0.000 -14.908 0.000) 14.908 3.881 ( 0.000 -0.598 0.000) 0.598 3.923 ( 0.000 -10.385 0.000) 10.385 4.433 ( 0.000 2.095 0.000) 2.095 4.523 ( 0.000 -6.967 0.000) 6.967 6.156 ( 0.000 7.822 0.000) 7.822 6.317 ( 0.000 -8.063 0.000) 8.063 6.649 ( 0.000 2.620 0.000) 2.620 6.694 ( 0.000 -1.780 0.000) 1.780 6.745 ( 0.000 3.424 0.000) 3.424 6.835 ( 0.000 -5.428 0.000) 5.428 7.206 ( 0.000 3.394 0.000) 3.394 7.239 ( 0.000 0.604 0.000) 0.604 7.376 ( 0.000 2.685 0.000) 2.685 7.431 ( 0.000 -2.376 0.000) 2.376 7.630 ( 0.000 7.909 0.000) 7.909 7.739 ( 0.000 -2.523 0.000) 2.523 8.088 ( 0.000 4.295 0.000) 4.295 8.133 ( 0.000 -3.481 0.000) 3.481 8.164 ( 0.000 2.638 0.000) 2.638 8.293 ( 0.000 -6.851 0.000) 6.851 8.436 ( 0.000 3.149 0.000) 3.149 8.499 ( 0.000 -2.992 0.000) 2.992 8.750 ( 0.000 -0.647 0.000) 0.647 8.750 ( 0.000 -0.516 0.000) 0.516 9.043 ( 0.000 -0.027 0.000) 0.027 9.046 ( 0.000 -0.367 0.000) 0.367 9.495 ( 0.000 0.606 0.000) 0.606 9.500 ( 0.000 0.293 0.000) 0.293 ======================= Grid point 28 (17/116) ======================= q-point: ( 0.12 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 4.490 18.135 3.000) 18.922 1.710 ( -1.575 21.719 2.682) 21.941 1.843 ( 3.287 -8.801 1.936) 9.592 2.105 ( -4.002 -15.534 1.349) 16.098 2.269 ( -0.490 0.534 0.710) 1.015 2.305 ( -0.097 -1.337 -0.205) 1.356 2.345 ( -1.351 1.763 -0.345) 2.248 2.434 ( -0.864 -5.966 -0.118) 6.029 2.752 ( 0.675 8.210 -1.129) 8.314 2.820 ( -3.199 0.288 -0.103) 3.214 2.900 ( 0.290 4.014 -0.574) 4.065 2.955 ( 0.684 -0.653 -0.660) 1.153 3.053 ( -1.823 6.464 -1.699) 6.927 3.199 ( -0.409 -6.313 -1.253) 6.449 3.287 ( 3.326 20.183 1.105) 20.485 3.385 ( -9.405 2.883 1.495) 9.950 3.466 ( -9.292 -2.853 -1.931) 9.910 3.658 ( 2.144 3.401 0.637) 4.071 3.701 ( 1.581 -7.347 -2.682) 7.980 3.868 ( 4.463 -12.896 2.366) 13.850 3.940 ( 4.741 2.449 -0.193) 5.339 4.049 ( 8.698 -9.109 -0.675) 12.613 4.441 ( 0.552 2.549 0.004) 2.608 4.529 ( 0.406 -6.359 0.206) 6.375 6.168 ( 0.964 8.050 0.702) 8.138 6.335 ( 1.391 -8.429 0.916) 8.592 6.659 ( 1.068 3.473 -0.346) 3.650 6.715 ( 1.986 -1.279 1.633) 2.871 6.752 ( 0.579 3.134 0.616) 3.246 6.847 ( 1.001 -5.760 1.740) 6.100 7.154 ( -4.045 5.913 2.324) 7.531 7.240 ( -0.957 -2.106 1.016) 2.526 7.401 ( 1.960 0.914 -1.078) 2.416 7.418 ( -0.810 -0.851 -3.109) 3.323 7.640 ( 0.987 8.004 -0.521) 8.081 7.744 ( -0.010 -1.633 0.992) 1.911 8.057 ( -2.934 7.500 1.618) 8.214 8.100 ( -4.106 -0.408 -2.231) 4.691 8.127 ( -1.796 -4.203 -2.704) 5.310 8.207 ( -5.003 -5.199 -0.393) 7.226 8.466 ( 0.753 0.994 -3.250) 3.481 8.502 ( -0.466 -2.442 -2.379) 3.441 8.763 ( 1.004 -0.617 2.533) 2.794 8.765 ( 1.681 -0.714 2.935) 3.457 9.025 ( -1.361 1.111 0.394) 1.801 9.050 ( -0.104 -1.302 0.563) 1.423 9.477 ( -1.174 1.584 -0.345) 2.002 9.500 ( -0.323 -0.886 -0.851) 1.270 ======================= Grid point 29 (18/116) ======================= 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 2.726 17.469 4.128) 18.156 1.742 ( 5.659 14.697 2.874) 16.009 1.931 ( 4.460 -5.581 3.677) 8.035 2.011 ( -5.357 -13.537 1.897) 14.682 2.256 ( -1.388 -0.596 1.640) 2.230 2.295 ( -1.653 -3.546 0.205) 3.917 2.301 ( -2.339 4.355 -1.388) 5.135 2.410 ( -1.467 -6.550 -0.638) 6.743 2.726 ( -3.327 2.771 -3.474) 5.551 2.745 ( -3.409 1.605 0.279) 3.779 2.907 ( -0.160 5.570 1.099) 5.679 2.947 ( -3.574 0.423 2.639) 4.463 3.000 ( -0.868 5.163 -5.611) 7.674 3.155 ( -5.252 -3.756 -2.027) 6.767 3.206 ( -4.381 1.064 0.749) 4.570 3.323 ( -3.630 -6.501 -0.282) 7.451 3.422 ( 7.224 13.401 -0.125) 15.225 3.654 ( -0.375 -7.066 -0.753) 7.115 3.802 ( 6.885 6.234 -1.407) 9.394 3.964 ( 3.708 -3.703 3.583) 6.348 4.034 ( 5.295 0.981 -1.317) 5.543 4.191 ( 5.567 -9.621 -1.942) 11.284 4.438 ( -1.232 3.899 0.355) 4.104 4.534 ( 0.002 -5.713 0.349) 5.723 6.190 ( 0.940 8.073 0.443) 8.140 6.356 ( 0.254 -8.095 -0.010) 8.099 6.690 ( 1.961 5.006 0.593) 5.409 6.766 ( 0.839 -0.358 0.867) 1.259 6.778 ( 3.411 2.361 2.276) 4.732 6.886 ( 2.501 -6.306 3.188) 7.495 7.084 ( -3.426 7.015 2.578) 8.222 7.203 ( -2.813 -3.939 1.152) 4.976 7.382 ( -2.012 1.701 -3.969) 4.764 7.431 ( 1.321 -2.541 -1.754) 3.358 7.651 ( -0.252 7.798 -0.201) 7.805 7.736 ( -0.838 0.803 1.863) 2.195 7.976 ( -4.892 2.815 -3.110) 6.444 8.017 ( -5.906 -3.132 -5.051) 8.379 8.058 ( -0.456 3.538 3.857) 5.254 8.183 ( 0.721 -4.588 1.343) 4.834 8.419 ( -3.406 1.213 -3.331) 4.916 8.480 ( -0.276 -5.473 -4.182) 6.893 8.800 ( 1.696 0.357 2.914) 3.391 8.819 ( 2.569 -1.330 2.451) 3.792 8.990 ( -2.319 2.530 -0.149) 3.435 9.043 ( -0.839 -2.624 0.886) 2.894 9.456 ( -0.786 1.626 -0.279) 1.827 9.485 ( -0.887 -1.417 -1.024) 1.960 ======================= Grid point 30 (19/116) ======================= q-point: ( 0.38 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 4.821 9.597 1.778) 10.885 1.887 ( 5.775 10.464 1.478) 12.043 1.928 ( -2.418 -8.122 2.546) 8.848 2.011 ( 2.004 0.555 3.928) 4.444 2.206 ( -5.485 0.243 -0.344) 5.501 2.242 ( -0.067 -3.303 1.816) 3.770 2.274 ( -1.512 -0.377 -0.409) 1.611 2.371 ( -2.241 -7.015 -2.311) 7.718 2.641 ( -3.352 3.655 -2.160) 5.409 2.691 ( -2.126 -0.704 -0.349) 2.266 2.834 ( -5.805 6.532 -0.148) 8.740 2.895 ( -1.329 3.094 2.192) 4.018 2.999 ( 0.574 0.475 -1.987) 2.122 3.067 ( -2.313 1.232 -0.049) 2.621 3.170 ( -0.385 -3.495 -2.501) 4.315 3.294 ( -0.316 -10.025 0.890) 10.069 3.547 ( 4.999 6.340 -1.318) 8.181 3.649 ( 0.026 -3.812 -1.214) 4.001 3.941 ( 6.411 7.694 1.388) 10.111 4.021 ( 2.242 6.779 2.128) 7.450 4.144 ( 5.667 -4.319 -1.039) 7.201 4.242 ( 0.099 -6.086 -3.594) 7.069 4.391 ( -3.522 5.618 1.185) 6.736 4.534 ( -0.039 -7.160 0.553) 7.182 6.203 ( 0.351 7.278 -0.055) 7.287 6.345 ( -0.984 -6.078 -0.710) 6.198 6.724 ( 1.072 4.168 0.475) 4.329 6.778 ( 0.325 -0.256 0.619) 0.745 6.861 ( 4.003 2.100 2.121) 4.994 6.951 ( 2.610 -5.481 2.581) 6.597 7.042 ( -1.473 7.534 2.369) 8.034 7.161 ( -1.142 -3.658 1.028) 3.968 7.317 ( -3.374 3.918 -3.412) 6.195 7.439 ( -0.077 -7.167 -1.853) 7.403 7.632 ( -1.280 8.526 0.547) 8.639 7.733 ( 0.066 2.085 3.397) 3.987 7.872 ( -4.843 -1.418 -2.528) 5.644 7.909 ( -3.032 -5.583 -4.530) 7.802 8.079 ( 0.761 8.072 2.260) 8.417 8.201 ( 0.658 -1.996 0.034) 2.101 8.360 ( -1.442 3.060 -1.009) 3.530 8.487 ( 1.570 -9.687 -1.724) 9.964 8.832 ( 0.932 1.183 1.311) 1.997 8.863 ( 1.384 -1.799 0.793) 2.404 8.938 ( -2.540 3.955 -0.358) 4.714 9.022 ( -1.322 -4.317 0.408) 4.533 9.447 ( -0.084 0.888 0.142) 0.903 9.465 ( -0.780 -1.051 -0.776) 1.522 ======================= Grid point 31 (20/116) ======================= 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 0.000 1.530 0.000) 1.530 1.873 ( -0.000 -2.376 -0.000) 2.376 1.975 ( 0.000 7.861 0.000) 7.861 2.036 ( 0.000 6.686 0.000) 6.686 2.132 ( 0.000 0.818 -0.000) 0.818 2.231 ( 0.000 2.405 0.000) 2.405 2.283 ( 0.000 -10.250 -0.000) 10.250 2.326 ( 0.000 -6.891 0.000) 6.891 2.604 ( 0.000 3.957 0.000) 3.957 2.670 ( 0.000 -2.853 0.000) 2.853 2.770 ( 0.000 9.889 0.000) 9.889 2.883 ( 0.000 1.733 -0.000) 1.733 3.001 ( 0.000 -0.991 -0.000) 0.991 3.047 ( 0.000 1.344 -0.000) 1.344 3.165 ( 0.000 -2.767 0.000) 2.767 3.294 ( 0.000 -11.140 0.000) 11.140 3.598 ( 0.000 2.718 0.000) 2.718 3.646 ( -0.000 -1.428 0.000) 1.428 3.999 ( 0.000 9.851 -0.000) 9.851 4.085 ( -0.000 4.171 -0.000) 4.171 4.195 ( 0.000 1.139 0.000) 1.139 4.228 ( -0.000 -7.747 -0.000) 7.747 4.341 ( 0.000 7.516 -0.000) 7.516 4.535 ( 0.000 -8.646 0.000) 8.646 6.206 ( 0.000 6.671 -0.000) 6.671 6.331 ( 0.000 -4.997 0.000) 4.997 6.734 ( 0.000 3.444 -0.000) 3.444 6.782 ( 0.000 -0.714 0.000) 0.714 6.912 ( 0.000 1.177 -0.000) 1.177 6.979 ( 0.000 -4.321 0.000) 4.321 7.034 ( 0.000 9.196 -0.000) 9.196 7.161 ( 0.000 -3.438 -0.000) 3.438 7.266 ( 0.000 4.921 0.000) 4.921 7.430 ( 0.000 -10.029 -0.000) 10.029 7.618 ( 0.000 9.383 0.000) 9.383 7.757 ( 0.000 6.661 0.000) 6.661 7.798 ( -0.000 -7.285 -0.000) 7.285 7.877 ( 0.000 -6.886 0.000) 6.886 8.088 ( 0.000 9.110 -0.000) 9.110 8.207 ( 0.000 -1.664 -0.000) 1.664 8.352 ( 0.000 4.567 0.000) 4.567 8.506 ( -0.000 -10.558 -0.000) 10.558 8.843 ( 0.000 1.456 0.000) 1.456 8.877 ( 0.000 -1.831 -0.000) 1.831 8.909 ( 0.000 4.333 0.000) 4.333 9.006 ( 0.000 -5.182 0.000) 5.182 9.451 ( 0.000 0.090 0.000) 0.090 9.452 ( -0.000 -0.355 -0.000) 0.355 ======================= Grid point 63 (21/116) ======================= q-point: ( 0.00 0.00 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 3.482 0.000 24.610) 24.855 0.599 ( -1.210 0.000 27.323) 27.350 1.009 ( -1.164 0.000 45.504) 45.519 1.987 ( 0.197 0.000 3.333) 3.339 2.212 ( -3.063 0.000 -4.360) 5.328 2.318 ( 2.236 0.000 2.113) 3.076 2.422 ( -1.580 0.000 -7.562) 7.725 2.495 ( 0.122 0.000 -2.321) 2.324 2.705 ( 2.108 0.000 0.657) 2.208 2.746 ( -3.327 0.000 -1.748) 3.758 2.922 ( 3.504 0.000 3.612) 5.033 2.944 ( 2.721 0.000 0.417) 2.753 3.088 ( 1.323 0.000 -0.901) 1.600 3.160 ( 0.613 0.000 1.755) 1.859 3.258 ( 1.319 0.000 -1.423) 1.940 3.456 ( 0.123 0.000 2.038) 2.042 3.480 ( -1.239 0.000 3.632) 3.838 3.628 ( -1.276 0.000 -2.110) 2.466 3.643 ( -1.823 0.000 -1.189) 2.177 3.801 ( -1.048 0.000 0.959) 1.421 4.182 ( 1.350 0.000 -1.789) 2.241 4.458 ( 1.703 0.000 -3.191) 3.616 4.544 ( -2.922 0.000 -3.270) 4.385 4.911 ( 0.142 0.000 -6.767) 6.769 6.152 ( -1.713 0.000 2.624) 3.134 6.418 ( 6.998 0.000 2.668) 7.489 6.543 ( 18.310 0.000 4.113) 18.766 6.677 ( 0.376 0.000 6.599) 6.610 6.715 ( 1.835 0.000 5.753) 6.039 6.931 ( -0.435 0.000 -4.890) 4.909 7.084 ( -13.630 0.000 2.702) 13.895 7.245 ( 3.313 0.000 0.609) 3.369 7.285 ( 0.671 0.000 2.165) 2.267 7.323 ( -1.533 0.000 -1.273) 1.993 7.411 ( 1.109 0.000 -2.359) 2.607 7.599 ( -4.148 0.000 -6.708) 7.887 7.706 ( -2.764 0.000 -2.177) 3.519 8.197 ( -8.710 0.000 -2.711) 9.122 8.389 ( -2.202 0.000 -5.426) 5.856 8.442 ( -11.615 0.000 7.390) 13.767 8.540 ( 0.196 0.000 3.713) 3.718 8.603 ( 0.227 0.000 0.764) 0.797 8.654 ( 20.030 0.000 2.021) 20.132 8.848 ( 3.002 0.000 0.500) 3.043 9.030 ( -0.806 0.000 -2.210) 2.352 9.083 ( 1.994 0.000 -1.317) 2.389 9.212 ( 0.788 0.000 -1.414) 1.619 9.400 ( -4.300 0.000 -1.155) 4.452 ======================= Grid point 64 (22/116) ======================= q-point: ( 0.12 0.00 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 11.518 0.000 19.047) 22.259 0.854 ( 17.182 0.000 19.498) 25.989 1.386 ( 23.539 0.000 32.580) 40.194 2.015 ( 1.528 0.000 4.888) 5.122 2.112 ( -5.790 0.000 -5.202) 7.784 2.350 ( 0.628 0.000 1.563) 1.685 2.362 ( -2.504 0.000 -8.069) 8.449 2.481 ( -0.764 0.000 -2.065) 2.202 2.631 ( -6.453 0.000 -0.171) 6.455 2.742 ( 1.335 0.000 3.359) 3.614 2.920 ( -1.572 0.000 2.309) 2.793 3.044 ( 5.860 0.000 2.310) 6.299 3.057 ( -4.226 0.000 -1.432) 4.462 3.188 ( 0.192 0.000 3.626) 3.631 3.318 ( 4.665 0.000 -0.430) 4.685 3.369 ( -6.347 0.000 -0.761) 6.393 3.418 ( -5.821 0.000 4.681) 7.470 3.639 ( 1.456 0.000 -0.673) 1.604 3.725 ( 4.484 0.000 -7.332) 8.594 3.749 ( -2.942 0.000 -0.738) 3.034 4.257 ( 6.253 0.000 -2.319) 6.669 4.416 ( -5.418 0.000 -2.008) 5.778 4.482 ( -2.020 0.000 -5.912) 6.247 4.867 ( -2.733 0.000 -5.344) 6.003 6.144 ( 0.336 0.000 1.870) 1.900 6.420 ( -3.078 0.000 1.360) 3.365 6.590 ( -10.485 0.000 13.523) 17.112 6.742 ( 0.029 0.000 5.217) 5.217 6.749 ( 1.847 0.000 11.109) 11.262 6.923 ( 0.993 0.000 -4.933) 5.032 7.098 ( 10.344 0.000 -3.907) 11.057 7.269 ( -0.522 0.000 -0.287) 0.595 7.310 ( 1.192 0.000 -2.883) 3.119 7.363 ( 6.248 0.000 2.134) 6.603 7.410 ( -8.035 0.000 -5.915) 9.977 7.451 ( -1.838 0.000 -4.173) 4.560 7.673 ( 1.180 0.000 0.190) 1.195 7.980 ( -8.445 0.000 8.402) 11.913 8.240 ( -8.534 0.000 -6.572) 10.771 8.382 ( -0.658 0.000 6.655) 6.688 8.575 ( -1.758 0.000 -0.730) 1.903 8.642 ( 5.110 0.000 2.435) 5.660 8.876 ( 4.100 0.000 -1.996) 4.560 8.900 ( 1.953 0.000 -0.848) 2.129 8.983 ( -4.323 0.000 -1.877) 4.713 9.142 ( 3.400 0.000 2.243) 4.073 9.243 ( 2.638 0.000 -1.246) 2.918 9.402 ( 3.537 0.000 -7.747) 8.516 ======================= Grid point 65 (23/116) ======================= q-point: ( 0.25 0.00 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 18.487 0.000 10.726) 21.373 1.260 ( 18.545 0.000 12.168) 22.180 1.923 ( 19.907 0.000 10.675) 22.588 1.967 ( -7.386 0.000 -4.825) 8.822 2.088 ( 6.154 0.000 14.658) 15.897 2.275 ( -3.702 0.000 -6.504) 7.484 2.356 ( -0.250 0.000 1.122) 1.149 2.461 ( -0.626 0.000 -1.784) 1.891 2.528 ( -3.418 0.000 -0.568) 3.464 2.779 ( 1.160 0.000 4.959) 5.093 2.889 ( -2.032 0.000 1.831) 2.735 2.914 ( -8.876 0.000 -3.059) 9.388 3.112 ( -8.190 0.000 7.223) 10.920 3.191 ( 8.203 0.000 2.505) 8.577 3.276 ( -6.448 0.000 2.026) 6.759 3.350 ( 1.255 0.000 0.713) 1.443 3.407 ( 2.987 0.000 -0.483) 3.025 3.656 ( -1.839 0.000 -0.347) 1.871 3.656 ( -1.219 0.000 -0.457) 1.302 3.772 ( 0.972 0.000 -8.823) 8.876 4.241 ( -11.540 0.000 -1.507) 11.638 4.379 ( 5.370 0.000 -0.757) 5.423 4.442 ( 0.478 0.000 -8.624) 8.637 4.786 ( -3.960 0.000 -4.232) 5.796 6.172 ( 1.891 0.000 1.729) 2.562 6.301 ( -8.767 0.000 11.739) 14.651 6.511 ( -1.446 0.000 5.388) 5.578 6.731 ( -1.462 0.000 2.098) 2.558 6.830 ( 2.206 0.000 12.172) 12.371 6.943 ( 2.197 0.000 -5.062) 5.518 7.203 ( -7.381 0.000 -4.432) 8.609 7.243 ( 6.030 0.000 -3.287) 6.868 7.258 ( -1.422 0.000 -2.091) 2.529 7.327 ( 0.870 0.000 -1.465) 1.703 7.390 ( -4.128 0.000 -2.917) 5.055 7.531 ( 9.786 0.000 -0.380) 9.793 7.735 ( 2.270 0.000 1.923) 2.975 7.900 ( -2.999 0.000 8.055) 8.595 8.082 ( -4.114 0.000 -6.395) 7.604 8.378 ( -1.935 0.000 5.815) 6.128 8.509 ( -4.146 0.000 -1.373) 4.367 8.737 ( 3.602 0.000 0.946) 3.724 8.864 ( -6.537 0.000 0.280) 6.543 8.913 ( 0.854 0.000 -0.833) 1.193 8.925 ( 1.278 0.000 -2.302) 2.633 9.200 ( 1.709 0.000 1.637) 2.367 9.302 ( 3.092 0.000 0.006) 3.092 9.439 ( 2.325 0.000 -9.010) 9.305 ======================= Grid point 66 (24/116) ======================= q-point: ( 0.38 0.00 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 16.060 0.000 7.241) 17.617 1.601 ( 12.804 0.000 8.221) 15.216 1.811 ( -7.077 0.000 -2.763) 7.597 2.044 ( -4.845 0.000 3.910) 6.226 2.116 ( -0.426 0.000 -5.727) 5.743 2.350 ( -0.495 0.000 0.324) 0.591 2.433 ( 2.421 0.000 5.875) 6.354 2.455 ( 0.696 0.000 -1.802) 1.932 2.603 ( 18.789 0.000 7.148) 20.102 2.708 ( -6.645 0.000 -5.315) 8.509 2.839 ( -0.931 0.000 6.579) 6.644 2.855 ( -1.615 0.000 0.901) 1.849 2.969 ( -7.094 0.000 8.257) 10.886 3.163 ( -4.549 0.000 3.864) 5.968 3.326 ( -3.879 0.000 4.807) 6.176 3.376 ( 1.342 0.000 -3.064) 3.345 3.392 ( 1.861 0.000 -0.363) 1.896 3.663 ( 0.675 0.000 -1.073) 1.268 3.668 ( 3.826 0.000 0.120) 3.828 3.734 ( -1.912 0.000 -8.255) 8.473 3.997 ( -11.097 0.000 -0.930) 11.136 4.396 ( -0.478 0.000 -5.200) 5.222 4.508 ( 5.144 0.000 -3.146) 6.030 4.703 ( -3.129 0.000 -3.411) 4.628 6.176 ( -6.899 0.000 10.690) 12.723 6.218 ( 2.067 0.000 2.269) 3.069 6.505 ( -0.885 0.000 4.132) 4.226 6.706 ( -1.134 0.000 -0.160) 1.145 6.885 ( 0.145 0.000 12.062) 12.063 6.975 ( 2.200 0.000 -5.432) 5.860 7.098 ( -2.029 0.000 -0.759) 2.166 7.245 ( 0.270 0.000 -1.725) 1.745 7.303 ( -3.464 0.000 -2.453) 4.244 7.317 ( 1.175 0.000 -4.641) 4.787 7.342 ( 2.170 0.000 0.308) 2.192 7.703 ( -4.259 0.000 -3.218) 5.338 7.714 ( 8.148 0.000 -3.007) 8.685 7.883 ( -0.903 0.000 8.100) 8.150 8.087 ( 4.056 0.000 -2.274) 4.650 8.323 ( -5.166 0.000 5.268) 7.378 8.425 ( -3.559 0.000 -0.451) 3.588 8.750 ( -4.343 0.000 -0.032) 4.343 8.786 ( 1.478 0.000 -0.227) 1.495 8.931 ( 0.996 0.000 1.225) 1.579 8.942 ( 0.955 0.000 -2.463) 2.641 9.216 ( -0.086 0.000 -0.856) 0.860 9.347 ( 1.207 0.000 0.476) 1.298 9.456 ( 1.827 0.000 -7.420) 7.641 ======================= Grid point 67 (25/116) ======================= q-point: (-0.50 0.00 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -4.934 0.000 3.656) 6.141 1.671 ( -6.588 0.000 0.338) 6.596 1.799 ( 5.469 0.000 4.436) 7.042 1.943 ( -0.807 0.000 2.060) 2.213 2.182 ( 6.081 0.000 2.521) 6.583 2.338 ( -0.680 0.000 -0.896) 1.125 2.429 ( -1.424 0.000 0.684) 1.580 2.474 ( 1.214 0.000 -3.521) 3.724 2.642 ( 1.601 0.000 -1.546) 2.225 2.745 ( -7.640 0.000 4.752) 8.998 2.802 ( -2.669 0.000 1.627) 3.126 2.943 ( 0.982 0.000 5.920) 6.001 2.991 ( 3.097 0.000 1.773) 3.569 3.116 ( -3.326 0.000 6.353) 7.171 3.147 ( 1.312 0.000 6.718) 6.845 3.400 ( -2.485 0.000 -3.390) 4.203 3.409 ( 0.143 0.000 -0.445) 0.467 3.614 ( -4.050 0.000 -6.362) 7.541 3.680 ( 1.185 0.000 -0.746) 1.400 3.807 ( 5.623 0.000 -1.122) 5.733 3.898 ( 2.653 0.000 1.005) 2.837 4.367 ( -1.068 0.000 -5.999) 6.094 4.588 ( 3.434 0.000 -0.526) 3.474 4.660 ( 0.001 0.000 -3.913) 3.913 6.082 ( -5.283 0.000 8.475) 9.987 6.256 ( 0.949 0.000 3.357) 3.489 6.494 ( -1.129 0.000 3.370) 3.554 6.687 ( -0.684 0.000 -1.234) 1.411 6.895 ( -2.280 0.000 11.543) 11.767 6.999 ( 1.560 0.000 -4.321) 4.594 7.110 ( 2.393 0.000 0.321) 2.415 7.218 ( -1.943 0.000 -2.492) 3.160 7.298 ( -1.337 0.000 -2.986) 3.272 7.301 ( 3.555 0.000 0.474) 3.587 7.384 ( 1.652 0.000 -2.035) 2.621 7.619 ( -2.290 0.000 -5.976) 6.400 7.776 ( -1.209 0.000 -3.969) 4.149 7.916 ( 1.681 0.000 6.001) 6.232 8.137 ( 0.433 0.000 -1.345) 1.413 8.232 ( -4.155 0.000 5.438) 6.844 8.409 ( 2.516 0.000 1.241) 2.806 8.705 ( -0.430 0.000 0.367) 0.565 8.800 ( 0.034 0.000 -0.645) 0.646 8.944 ( -0.165 0.000 -2.536) 2.541 8.962 ( 1.744 0.000 2.346) 2.923 9.195 ( -1.611 0.000 -2.708) 3.151 9.349 ( -0.959 0.000 -0.374) 1.030 9.478 ( 2.159 0.000 -5.693) 6.088 ======================= Grid point 68 (26/116) ======================= q-point: (-0.38 0.00 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -17.595 0.000 3.487) 17.938 1.497 ( -12.881 0.000 3.721) 13.408 1.909 ( 6.527 0.000 0.796) 6.576 1.929 ( -4.257 0.000 1.178) 4.417 2.271 ( -8.228 0.000 8.120) 11.560 2.320 ( -0.866 0.000 -0.582) 1.044 2.409 ( 4.142 0.000 2.713) 4.951 2.478 ( 0.281 0.000 -2.723) 2.738 2.622 ( -2.863 0.000 -0.804) 2.974 2.650 ( -9.780 0.000 2.957) 10.218 2.754 ( 6.295 0.000 3.381) 7.145 2.839 ( -3.054 0.000 1.433) 3.374 3.016 ( 5.604 0.000 2.468) 6.123 3.166 ( -5.503 0.000 -3.335) 6.435 3.206 ( 1.769 0.000 6.913) 7.136 3.407 ( 0.039 0.000 0.804) 0.805 3.429 ( 3.099 0.000 -0.608) 3.158 3.556 ( 2.622 0.000 -3.180) 4.122 3.699 ( 0.787 0.000 -0.244) 0.824 3.892 ( 4.775 0.000 -2.808) 5.539 4.042 ( 8.664 0.000 1.126) 8.737 4.323 ( -1.903 0.000 -5.791) 6.096 4.637 ( 1.405 0.000 0.889) 1.662 4.689 ( 4.154 0.000 -5.683) 7.039 6.010 ( -4.159 0.000 7.360) 8.454 6.267 ( -1.009 0.000 4.365) 4.480 6.483 ( -0.593 0.000 1.716) 1.815 6.670 ( -0.731 0.000 -0.958) 1.205 6.855 ( -4.612 0.000 10.470) 11.441 7.008 ( 0.079 0.000 -2.759) 2.760 7.130 ( -0.054 0.000 -6.595) 6.595 7.250 ( 5.855 0.000 2.672) 6.436 7.260 ( -1.365 0.000 -3.991) 4.218 7.393 ( -0.261 0.000 -0.629) 0.681 7.408 ( 6.444 0.000 3.574) 7.369 7.583 ( -0.127 0.000 -6.606) 6.608 7.679 ( -6.565 0.000 -4.820) 8.145 7.956 ( 1.060 0.000 8.790) 8.853 8.134 ( 0.963 0.000 0.106) 0.969 8.207 ( -0.136 0.000 2.953) 2.956 8.499 ( 5.225 0.000 1.002) 5.321 8.721 ( 1.588 0.000 -0.130) 1.593 8.780 ( -2.067 0.000 -1.047) 2.317 8.919 ( -1.811 0.000 -2.515) 3.099 9.008 ( 2.133 0.000 2.770) 3.496 9.144 ( -2.454 0.000 -3.737) 4.471 9.313 ( -2.226 0.000 -1.540) 2.707 9.509 ( 2.262 0.000 -4.589) 5.116 ======================= Grid point 69 (27/116) ======================= q-point: (-0.25 0.00 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -21.356 0.000 4.305) 21.786 1.178 ( -20.598 0.000 9.275) 22.590 1.666 ( -25.117 0.000 16.366) 29.979 2.064 ( -6.898 0.000 5.002) 8.521 2.069 ( 9.075 0.000 -1.284) 9.166 2.301 ( -1.025 0.000 -0.243) 1.054 2.476 ( 0.290 0.000 -1.503) 1.531 2.480 ( 0.332 0.000 -3.497) 3.512 2.614 ( 1.845 0.000 -2.478) 3.090 2.637 ( 4.465 0.000 7.818) 9.003 2.813 ( -0.634 0.000 0.421) 0.761 2.890 ( 6.771 0.000 1.012) 6.846 3.034 ( -5.576 0.000 -3.179) 6.418 3.151 ( 5.034 0.000 3.783) 6.297 3.239 ( 2.260 0.000 1.713) 2.836 3.366 ( -4.828 0.000 -3.171) 5.776 3.427 ( 1.266 0.000 3.714) 3.924 3.684 ( 6.182 0.000 1.308) 6.319 3.704 ( -0.419 0.000 -0.180) 0.456 3.951 ( 0.770 0.000 -5.240) 5.296 4.216 ( 9.256 0.000 -2.385) 9.559 4.265 ( -2.529 0.000 -4.750) 5.381 4.644 ( -0.980 0.000 0.957) 1.370 4.783 ( 6.512 0.000 -7.198) 9.707 5.965 ( -2.065 0.000 9.845) 10.059 6.240 ( -2.706 0.000 4.540) 5.286 6.479 ( 0.004 0.000 -0.663) 0.663 6.657 ( -0.358 0.000 0.543) 0.650 6.774 ( -5.777 0.000 9.032) 10.721 6.990 ( -1.027 0.000 -2.319) 2.536 7.122 ( 1.579 0.000 -7.022) 7.197 7.231 ( -0.419 0.000 -4.108) 4.130 7.378 ( -1.241 0.000 1.492) 1.941 7.385 ( 5.326 0.000 0.294) 5.334 7.529 ( -7.154 0.000 -4.100) 8.245 7.556 ( 6.258 0.000 3.889) 7.368 7.580 ( 2.753 0.000 -3.290) 4.290 8.026 ( 3.809 0.000 13.218) 13.756 8.201 ( 5.541 0.000 0.846) 5.605 8.222 ( 1.126 0.000 0.398) 1.194 8.591 ( 3.508 0.000 0.270) 3.518 8.708 ( -4.764 0.000 -1.661) 5.045 8.747 ( 0.628 0.000 -1.281) 1.427 8.861 ( -3.270 0.000 -1.905) 3.785 9.049 ( 1.194 0.000 1.641) 2.030 9.092 ( -1.530 0.000 -4.003) 4.285 9.262 ( -2.284 0.000 -2.146) 3.135 9.535 ( 1.230 0.000 -4.718) 4.876 ======================= Grid point 70 (28/116) ======================= q-point: (-0.12 0.00 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -17.219 0.000 12.446) 21.246 0.790 ( -20.555 0.000 18.251) 27.488 1.206 ( -24.908 0.000 35.479) 43.350 1.997 ( -2.078 0.000 2.771) 3.463 2.218 ( 5.449 0.000 -2.292) 5.911 2.280 ( -0.799 0.000 0.773) 1.111 2.459 ( -0.646 0.000 -6.119) 6.153 2.487 ( 1.080 0.000 -2.060) 2.326 2.657 ( 2.714 0.000 -1.569) 3.134 2.735 ( 2.946 0.000 4.532) 5.405 2.822 ( 1.667 0.000 4.057) 4.386 2.952 ( -2.093 0.000 -1.261) 2.444 3.017 ( 5.727 0.000 -1.109) 5.833 3.166 ( -1.426 0.000 2.405) 2.796 3.278 ( -2.784 0.000 -2.504) 3.745 3.363 ( 7.042 0.000 1.968) 7.312 3.464 ( 1.262 0.000 3.759) 3.965 3.678 ( -2.150 0.000 -0.977) 2.362 3.774 ( 2.401 0.000 0.564) 2.466 3.851 ( -9.287 0.000 -8.886) 12.854 4.205 ( -2.357 0.000 -2.849) 3.698 4.376 ( 7.260 0.000 -3.997) 8.287 4.606 ( -2.703 0.000 -0.594) 2.768 4.881 ( 4.817 0.000 -7.963) 9.306 6.042 ( 9.187 0.000 19.738) 21.771 6.192 ( -3.007 0.000 3.730) 4.791 6.475 ( -0.021 0.000 -2.741) 2.741 6.665 ( 0.723 0.000 1.913) 2.045 6.700 ( -3.384 0.000 9.243) 9.844 6.960 ( -1.169 0.000 -3.963) 4.132 7.165 ( 4.078 0.000 -2.908) 5.009 7.220 ( -0.360 0.000 -3.116) 3.137 7.344 ( -3.672 0.000 0.666) 3.732 7.386 ( -5.789 0.000 -2.208) 6.195 7.418 ( -0.374 0.000 -2.499) 2.527 7.617 ( 2.515 0.000 -3.439) 4.261 7.703 ( 4.349 0.000 1.870) 4.734 8.198 ( 8.965 0.000 8.985) 12.692 8.264 ( 5.444 0.000 6.402) 8.404 8.327 ( 6.232 0.000 -0.448) 6.248 8.608 ( -3.360 0.000 0.161) 3.364 8.615 ( -2.567 0.000 0.184) 2.574 8.703 ( -6.204 0.000 -2.946) 6.867 8.812 ( -0.166 0.000 -1.192) 1.204 9.054 ( -0.813 0.000 -0.883) 1.200 9.069 ( 0.158 0.000 -3.367) 3.371 9.221 ( -1.199 0.000 -1.890) 2.238 9.511 ( -3.080 0.000 -5.751) 6.523 ======================= Grid point 71 (29/116) ======================= q-point: ( 0.00 0.14 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 4.441 21.845 15.254) 27.011 0.826 ( 0.018 17.772 19.422) 26.326 1.426 ( -1.843 34.150 28.607) 44.587 1.989 ( 0.104 0.453 2.925) 2.961 2.207 ( -2.694 -0.339 -4.224) 5.022 2.315 ( 1.594 -0.330 1.677) 2.337 2.399 ( -0.560 -1.381 -3.435) 3.745 2.541 ( -0.166 2.761 -4.954) 5.674 2.640 ( 1.527 -4.220 0.267) 4.495 2.759 ( -1.771 1.450 -0.677) 2.387 2.873 ( 0.256 -3.303 1.298) 3.558 2.943 ( 3.214 -0.089 1.467) 3.534 2.988 ( 0.802 -7.070 -1.185) 7.213 3.139 ( 1.501 -1.253 4.249) 4.677 3.313 ( 0.129 2.645 -2.143) 3.407 3.461 ( 1.280 0.762 1.111) 1.859 3.503 ( -2.369 1.225 3.388) 4.312 3.624 ( -2.007 -1.649 -1.783) 3.151 3.676 ( -1.092 2.750 -0.668) 3.033 3.822 ( -0.598 2.515 -0.760) 2.694 4.144 ( 1.033 -3.803 -0.775) 4.017 4.427 ( 0.310 -3.582 -3.502) 5.019 4.493 ( -1.630 -4.700 -1.670) 5.248 4.835 ( 0.997 -6.300 -5.289) 8.286 6.063 ( 0.115 -0.396 10.695) 10.703 6.491 ( -0.053 3.473 -2.794) 4.458 6.635 ( 1.552 -4.332 3.989) 6.090 6.675 ( 4.571 3.759 5.417) 8.023 6.781 ( 3.899 4.243 2.672) 6.352 6.950 ( 6.301 2.577 -3.817) 7.804 7.088 ( -3.183 -0.317 1.317) 3.459 7.239 ( -2.264 -0.057 0.281) 2.282 7.285 ( -2.128 0.107 1.991) 2.916 7.348 ( -0.408 3.316 -0.862) 3.450 7.469 ( 1.029 2.437 0.959) 2.815 7.628 ( -2.543 2.414 -6.764) 7.619 7.723 ( -2.899 4.322 -3.153) 6.085 8.226 ( -2.168 0.678 -3.794) 4.422 8.350 ( -8.682 -3.855 1.489) 9.615 8.390 ( 3.545 -2.399 -0.262) 4.289 8.435 ( -1.908 -4.282 3.108) 5.624 8.589 ( -0.161 -1.382 0.635) 1.529 8.746 ( 6.365 2.609 0.046) 6.879 8.829 ( 2.928 -1.728 0.422) 3.426 9.024 ( 0.373 -0.329 -2.296) 2.350 9.072 ( 1.652 -1.042 -1.030) 2.208 9.313 ( 1.167 5.946 -6.710) 9.041 9.424 ( -3.511 1.922 -1.592) 4.308 ======================= Grid point 72 (30/116) ======================= q-point: ( 0.12 0.14 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 7.177 17.928 14.253) 24.002 1.001 ( 11.744 13.464 16.498) 24.318 1.686 ( 18.074 25.563 22.694) 38.667 2.018 ( 1.551 0.253 4.730) 4.985 2.124 ( -4.437 1.414 -5.313) 7.065 2.341 ( 0.711 -0.749 -0.706) 1.251 2.367 ( -1.721 0.214 -3.049) 3.508 2.505 ( -1.868 1.967 -3.659) 4.555 2.650 ( -2.220 -0.026 1.152) 2.501 2.706 ( -1.478 -1.134 1.213) 2.223 2.863 ( -1.377 -5.403 0.352) 5.587 2.980 ( -1.373 -5.250 -0.928) 5.505 3.040 ( 5.732 0.187 1.437) 5.912 3.160 ( -1.833 -3.112 5.925) 6.939 3.306 ( -0.083 -1.059 -1.777) 2.070 3.412 ( -3.052 2.623 -0.742) 4.092 3.424 ( -6.646 0.983 3.408) 7.533 3.611 ( 0.120 -2.862 0.429) 2.897 3.717 ( 3.219 0.870 -3.237) 4.647 3.801 ( -0.873 4.044 -1.879) 4.544 4.222 ( 6.444 -3.313 -1.530) 7.406 4.383 ( -3.619 -3.742 -3.767) 6.426 4.456 ( -1.902 -2.334 -2.869) 4.159 4.813 ( -1.871 -5.172 -4.493) 7.102 6.084 ( 0.009 -0.857 7.751) 7.798 6.480 ( -0.915 3.831 -1.538) 4.228 6.635 ( -4.631 -1.257 4.433) 6.533 6.729 ( 1.443 -0.350 8.228) 8.361 6.802 ( -0.181 4.157 7.885) 8.915 6.986 ( -3.858 4.658 2.310) 6.474 7.117 ( 6.403 1.596 -5.254) 8.435 7.212 ( -0.303 -1.987 1.785) 2.688 7.317 ( 4.286 -0.373 -0.679) 4.356 7.376 ( 1.694 2.044 -0.797) 2.772 7.465 ( -2.238 1.195 0.539) 2.594 7.493 ( -6.571 4.064 -8.455) 11.454 7.701 ( 2.273 5.031 -1.849) 5.822 8.059 ( -8.922 5.726 1.580) 10.719 8.230 ( -7.004 -1.594 -5.900) 9.296 8.352 ( -1.111 -2.629 5.374) 6.084 8.510 ( 1.499 -6.318 0.103) 6.494 8.594 ( 2.284 -3.153 0.368) 3.911 8.843 ( 2.665 -1.161 1.418) 3.234 8.895 ( 3.089 -1.930 -1.397) 3.901 8.984 ( -3.780 0.170 -1.891) 4.230 9.128 ( 3.196 -1.157 2.412) 4.168 9.305 ( 0.465 4.516 -3.356) 5.646 9.413 ( 2.091 0.978 -6.628) 7.018 ======================= Grid point 73 (31/116) ======================= q-point: ( 0.25 0.14 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 15.146 10.242 8.927) 20.347 1.313 ( 14.973 6.444 11.896) 20.180 1.993 ( -5.970 2.398 -2.735) 6.991 2.039 ( 5.961 7.003 1.130) 9.266 2.123 ( 8.439 4.153 12.964) 16.017 2.287 ( -3.502 1.039 -5.676) 6.750 2.390 ( 4.525 4.068 4.460) 7.545 2.464 ( -1.385 0.702 -1.959) 2.500 2.571 ( -3.877 3.231 -0.230) 5.052 2.733 ( 2.271 -4.461 5.235) 7.243 2.809 ( -4.202 -5.314 -1.041) 6.854 2.929 ( -2.979 -0.149 -1.134) 3.191 3.060 ( -8.426 -3.913 5.884) 10.997 3.169 ( 5.141 -1.420 1.887) 5.658 3.281 ( -2.593 -0.120 -0.181) 2.602 3.316 ( -2.440 -2.434 2.363) 4.179 3.419 ( 2.404 0.443 -0.790) 2.569 3.617 ( 1.158 -0.718 0.229) 1.382 3.735 ( -0.630 3.482 -1.234) 3.748 3.787 ( 0.119 2.373 -5.224) 5.739 4.251 ( -9.223 0.889 -2.208) 9.525 4.345 ( 5.187 -3.328 -0.060) 6.163 4.424 ( 0.626 -1.787 -6.542) 6.811 4.750 ( -3.157 -3.618 -3.512) 5.949 6.108 ( 0.400 -1.365 6.713) 6.862 6.414 ( -5.659 5.558 2.940) 8.459 6.573 ( -1.500 3.831 4.901) 6.399 6.760 ( -0.153 2.134 3.742) 4.310 6.841 ( 0.838 2.554 11.400) 11.713 6.960 ( 0.530 1.648 -1.623) 2.373 7.152 ( -0.423 -3.414 -2.756) 4.408 7.202 ( -2.534 -0.554 -0.297) 2.610 7.325 ( -2.276 1.289 -5.476) 6.068 7.374 ( 0.275 3.439 -0.837) 3.550 7.417 ( -0.588 4.768 -1.597) 5.063 7.512 ( 7.167 -2.135 -0.034) 7.478 7.773 ( 3.130 3.554 0.049) 4.736 7.935 ( -4.248 3.001 2.241) 5.663 8.096 ( -3.594 0.719 -4.716) 5.973 8.334 ( -2.801 -3.817 4.530) 6.552 8.472 ( -3.571 -3.713 -0.022) 5.152 8.670 ( 3.811 -5.352 -0.332) 6.579 8.880 ( -5.037 1.191 -1.642) 5.430 8.885 ( 1.401 -1.052 0.546) 1.835 8.933 ( 0.829 -1.126 -0.586) 1.517 9.181 ( 1.290 -1.814 2.076) 3.044 9.330 ( 2.309 2.472 -1.454) 3.682 9.431 ( 1.507 -0.589 -8.044) 8.205 ======================= Grid point 74 (32/116) ======================= q-point: ( 0.38 0.14 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 14.273 6.170 5.828) 16.606 1.613 ( 12.875 1.432 7.255) 14.848 1.855 ( -6.509 4.236 -1.695) 7.949 2.076 ( -3.803 2.899 2.470) 5.382 2.127 ( -1.843 0.857 -4.371) 4.821 2.259 ( -1.120 -5.513 3.552) 6.654 2.443 ( 0.195 -0.812 -1.885) 2.062 2.485 ( -0.938 3.619 0.598) 3.786 2.570 ( 0.898 -3.093 -1.208) 3.440 2.761 ( 1.665 -2.778 6.499) 7.261 2.803 ( 0.718 -0.469 4.788) 4.864 2.887 ( 0.584 3.408 1.132) 3.639 2.918 ( -4.851 -2.006 3.479) 6.298 3.139 ( -4.280 -1.743 3.885) 6.038 3.292 ( 0.070 -4.004 -3.498) 5.317 3.354 ( 5.049 0.834 2.361) 5.636 3.459 ( 1.401 3.268 0.466) 3.585 3.666 ( 2.166 0.565 -0.856) 2.396 3.717 ( 0.138 4.748 0.619) 4.790 3.771 ( 0.424 2.470 -5.384) 5.938 4.029 ( -11.848 3.962 -0.755) 12.516 4.384 ( 0.075 -1.490 -3.064) 3.408 4.469 ( 3.855 -3.741 -3.227) 6.266 4.688 ( -1.912 -1.640 -3.096) 3.991 6.123 ( -1.060 -0.895 7.474) 7.602 6.326 ( -3.287 5.902 3.311) 7.523 6.571 ( -0.440 5.183 3.945) 6.528 6.752 ( -1.117 4.577 0.854) 4.788 6.871 ( -0.596 -0.383 9.095) 9.123 6.981 ( 1.549 -0.028 -1.129) 1.917 7.111 ( -1.553 0.317 -1.584) 2.241 7.181 ( 0.629 -2.134 0.852) 2.382 7.257 ( -3.143 -2.388 -2.784) 4.830 7.391 ( -1.097 3.736 -2.905) 4.859 7.411 ( 2.386 5.302 -0.467) 5.833 7.644 ( 2.891 -2.808 -1.805) 4.416 7.764 ( 0.455 1.711 -3.577) 3.992 7.919 ( -0.155 3.969 3.543) 5.322 8.105 ( 4.764 0.438 -1.290) 4.955 8.265 ( -4.713 -5.051 3.476) 7.734 8.387 ( -5.249 -2.838 1.567) 6.169 8.724 ( 1.663 -3.537 -1.480) 4.179 8.792 ( -2.202 1.264 -1.312) 2.858 8.908 ( 0.304 -0.913 2.117) 2.326 8.943 ( 0.440 -0.931 -1.200) 1.581 9.192 ( -0.327 -2.612 -0.319) 2.651 9.366 ( 1.206 1.639 -1.250) 2.388 9.439 ( 1.533 -1.422 -6.619) 6.941 ======================= Grid point 75 (33/116) ======================= q-point: (-0.50 0.14 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -4.725 3.691 2.461) 6.481 1.752 ( -5.184 6.137 0.676) 8.062 1.804 ( 2.764 1.618 3.139) 4.485 1.998 ( 0.910 4.296 0.783) 4.460 2.149 ( 3.052 -6.056 2.885) 7.370 2.255 ( 0.893 -4.635 2.922) 5.551 2.451 ( -0.397 0.566 -0.190) 0.717 2.475 ( 0.921 1.433 -2.618) 3.124 2.525 ( -1.190 -6.853 -4.136) 8.092 2.715 ( -4.428 -1.546 3.909) 6.106 2.815 ( -1.424 -2.540 4.833) 5.643 2.870 ( 1.266 -2.114 0.766) 2.581 2.960 ( -1.794 -1.454 4.154) 4.753 3.111 ( -0.254 -1.722 2.363) 2.935 3.354 ( 7.416 2.476 -1.076) 7.891 3.398 ( -1.822 6.630 1.517) 7.041 3.443 ( -3.278 6.209 2.027) 7.308 3.654 ( -1.523 2.004 -3.858) 4.606 3.713 ( -1.187 3.606 -0.411) 3.818 3.798 ( -0.267 0.527 -2.173) 2.252 3.922 ( 5.750 2.957 1.818) 6.717 4.358 ( -1.571 -1.095 -4.758) 5.129 4.531 ( 3.118 -4.929 -0.246) 5.838 4.665 ( 0.227 -0.273 -3.483) 3.501 6.096 ( -3.427 1.646 7.635) 8.529 6.310 ( 0.432 4.670 3.059) 5.599 6.565 ( -1.200 5.835 3.278) 6.800 6.725 ( -1.544 3.715 -1.298) 4.228 6.868 ( -1.834 -1.439 7.880) 8.217 6.999 ( 0.117 -0.995 -0.170) 1.016 7.103 ( 0.418 -1.402 -1.776) 2.301 7.193 ( -0.417 -0.126 0.930) 1.027 7.239 ( 2.897 -2.001 0.573) 3.567 7.364 ( -0.418 2.772 -3.009) 4.112 7.450 ( 1.677 5.158 -0.946) 5.506 7.604 ( -2.396 -1.108 -4.719) 5.407 7.802 ( 0.057 1.519 -5.950) 6.141 7.932 ( 1.324 2.218 5.548) 6.120 8.168 ( -1.013 1.840 -0.826) 2.257 8.213 ( -1.282 -1.796 3.436) 4.083 8.322 ( 1.287 -6.680 2.822) 7.365 8.728 ( 0.293 0.768 -1.792) 1.972 8.797 ( 1.285 -0.113 -0.422) 1.357 8.913 ( -0.045 -3.166 2.741) 4.188 8.941 ( -0.426 -0.927 -1.559) 1.864 9.169 ( -1.644 -2.844 -2.291) 4.005 9.366 ( -0.603 1.352 -2.181) 2.636 9.464 ( 2.346 -1.232 -4.579) 5.291 ======================= Grid point 76 (34/116) ======================= q-point: (-0.38 0.14 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -15.888 5.226 1.536) 16.795 1.555 ( -15.001 5.409 5.459) 16.855 1.863 ( 2.079 -1.060 1.078) 2.571 1.997 ( 0.413 2.656 -0.594) 2.753 2.198 ( -1.304 -3.597 4.330) 5.778 2.342 ( 4.148 -0.703 2.125) 4.713 2.412 ( -2.346 0.350 -1.141) 2.632 2.495 ( 2.740 0.526 -2.865) 3.999 2.541 ( 2.446 -2.071 1.063) 3.377 2.703 ( -4.702 2.371 2.256) 5.729 2.754 ( 1.300 -2.161 2.846) 3.803 2.888 ( -2.786 1.643 3.185) 4.539 2.955 ( 5.593 -2.735 0.495) 6.245 3.101 ( -1.510 -4.105 -0.447) 4.397 3.251 ( -8.106 4.590 2.076) 9.544 3.407 ( -1.719 -0.653 -0.421) 1.887 3.506 ( 2.987 4.954 2.838) 6.444 3.629 ( 1.497 7.036 -0.850) 7.243 3.695 ( 0.297 0.284 -0.892) 0.982 3.847 ( 4.797 -4.030 -2.217) 6.646 4.096 ( 9.219 4.993 0.658) 10.505 4.305 ( -2.434 -2.096 -4.711) 5.701 4.588 ( 2.184 -4.466 0.722) 5.024 4.671 ( 1.698 -1.720 -4.599) 5.195 6.044 ( -3.555 3.280 7.381) 8.824 6.339 ( 1.338 6.195 3.628) 7.303 6.544 ( -1.459 5.367 1.800) 5.846 6.685 ( -1.998 0.939 -2.112) 3.055 6.838 ( -3.516 -0.511 8.727) 9.422 6.983 ( -1.315 -2.566 -1.103) 3.087 7.090 ( -0.697 -2.999 -4.213) 5.218 7.233 ( 3.738 -0.497 0.577) 3.815 7.297 ( 1.976 1.952 -1.099) 2.987 7.381 ( 2.211 0.993 1.688) 2.953 7.485 ( 2.717 5.118 0.935) 5.870 7.562 ( -1.003 -1.378 -4.957) 5.242 7.726 ( -4.478 3.979 -4.985) 7.794 7.987 ( 2.206 1.803 5.774) 6.438 8.145 ( 0.519 0.841 0.146) 0.998 8.202 ( 0.307 0.090 3.350) 3.365 8.420 ( 5.648 -6.436 1.334) 8.666 8.739 ( 1.087 0.474 -2.456) 2.727 8.792 ( -2.206 1.268 0.203) 2.553 8.912 ( -2.231 -1.349 -1.535) 3.026 8.938 ( 2.025 -4.972 1.967) 5.718 9.120 ( -2.228 -2.398 -3.657) 4.908 9.341 ( -1.123 2.117 -2.197) 3.251 9.500 ( 2.324 -0.908 -3.760) 4.512 ======================= Grid point 77 (35/116) ======================= q-point: (-0.25 0.14 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -19.431 7.600 2.614) 21.027 1.231 ( -18.746 7.386 11.849) 23.374 1.806 ( -9.061 8.324 6.950) 14.131 2.067 ( 1.367 4.101 1.200) 4.487 2.150 ( -0.402 4.661 2.303) 5.215 2.318 ( -3.183 2.530 1.177) 4.233 2.409 ( 0.688 -4.224 -1.612) 4.573 2.518 ( 0.637 0.658 -3.647) 3.761 2.579 ( -0.508 -1.857 -0.046) 1.926 2.679 ( 5.454 2.710 4.303) 7.457 2.814 ( 0.536 0.088 -2.029) 2.101 2.890 ( 2.945 -0.817 4.094) 5.108 3.011 ( -3.448 -1.592 -2.546) 4.572 3.118 ( 1.679 -1.520 4.225) 4.794 3.173 ( 4.373 -3.143 -0.301) 5.394 3.359 ( -2.809 -0.956 -1.447) 3.301 3.517 ( -0.512 5.336 3.373) 6.334 3.665 ( 0.324 -1.468 2.380) 2.815 3.730 ( 2.969 2.542 -1.317) 4.124 3.911 ( 1.041 -3.076 -3.489) 4.766 4.238 ( -1.396 -2.151 -3.701) 4.502 4.263 ( 6.042 3.039 -2.167) 7.103 4.594 ( -1.784 -4.863 1.344) 5.351 4.724 ( 4.755 -4.692 -6.061) 9.020 6.007 ( -2.019 3.943 9.244) 10.251 6.381 ( 2.403 11.000 2.947) 11.638 6.524 ( -0.629 4.082 -0.185) 4.134 6.641 ( -1.864 -2.378 -1.343) 3.307 6.777 ( -4.597 1.430 9.042) 10.244 6.954 ( -1.071 -3.182 -2.230) 4.031 7.073 ( 0.309 -3.301 -3.686) 4.957 7.267 ( 0.259 1.760 -4.811) 5.130 7.355 ( 3.219 -1.648 1.100) 3.779 7.410 ( 0.020 2.643 3.688) 4.537 7.501 ( -3.718 0.386 -1.191) 3.923 7.586 ( 4.878 1.470 -1.103) 5.212 7.672 ( 1.430 6.826 -2.342) 7.356 8.060 ( 4.184 1.503 7.551) 8.762 8.203 ( 3.758 -0.249 1.011) 3.900 8.244 ( 4.067 2.892 1.873) 5.330 8.514 ( 3.218 -6.483 0.283) 7.244 8.708 ( -5.045 0.013 -1.213) 5.189 8.755 ( -0.172 0.006 -1.339) 1.350 8.847 ( -3.679 -2.275 -1.705) 4.650 8.983 ( 1.845 -3.815 0.123) 4.240 9.076 ( -1.048 -1.429 -3.772) 4.168 9.317 ( -0.696 3.739 -2.052) 4.321 9.527 ( 1.085 -0.830 -3.797) 4.035 ======================= Grid point 78 (36/116) ======================= q-point: (-0.12 0.14 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -9.556 16.606 10.887) 22.036 0.933 ( -14.025 14.299 16.315) 25.833 1.574 ( -15.839 27.786 20.760) 38.130 2.008 ( -2.989 2.233 2.817) 4.675 2.232 ( 2.946 0.697 -2.946) 4.225 2.283 ( -0.405 0.665 2.089) 2.229 2.411 ( 0.102 -2.960 -2.722) 4.023 2.532 ( 1.795 2.673 -4.820) 5.797 2.603 ( 2.340 -5.215 -1.417) 5.889 2.767 ( 0.971 3.310 1.578) 3.793 2.825 ( 2.803 0.112 1.194) 3.049 2.939 ( -2.350 -1.054 -1.174) 2.830 2.960 ( 2.516 -6.380 -0.119) 6.859 3.110 ( -0.100 -0.981 4.071) 4.188 3.312 ( -0.557 1.500 -1.712) 2.344 3.350 ( 8.309 -1.030 1.787) 8.561 3.519 ( -0.364 3.508 3.104) 4.698 3.660 ( -1.137 -1.914 0.544) 2.292 3.757 ( -1.625 -0.471 -1.208) 2.078 3.854 ( -3.943 0.767 -3.800) 5.529 4.175 ( -2.841 -3.433 -2.052) 4.906 4.379 ( 5.095 0.261 -3.388) 6.124 4.544 ( -3.059 -6.188 0.177) 6.905 4.800 ( 3.958 -6.279 -5.891) 9.476 6.022 ( 0.517 2.235 12.396) 12.606 6.471 ( 5.664 13.134 -0.058) 14.303 6.524 ( 2.429 6.015 -1.234) 6.603 6.616 ( -0.455 -4.583 1.741) 4.923 6.731 ( -1.618 3.253 8.581) 9.318 6.930 ( -0.571 -2.511 -3.186) 4.097 7.087 ( 1.454 -4.199 -1.122) 4.583 7.255 ( -0.125 1.488 -2.939) 3.297 7.358 ( -3.102 -1.236 0.295) 3.352 7.404 ( -3.135 1.887 0.533) 3.698 7.442 ( 0.334 3.982 1.302) 4.203 7.639 ( 1.994 1.290 -4.764) 5.323 7.739 ( 2.597 4.510 0.130) 5.206 8.181 ( 5.141 -1.704 3.162) 6.271 8.277 ( 4.627 0.370 2.720) 5.380 8.373 ( 7.121 3.320 1.105) 7.934 8.517 ( -4.055 -6.918 0.132) 8.020 8.609 ( -3.518 -0.590 1.084) 3.728 8.719 ( -2.580 1.035 -1.820) 3.323 8.798 ( -0.034 -2.073 -1.641) 2.644 9.008 ( 1.134 -2.258 -1.417) 2.897 9.062 ( 0.319 -0.684 -3.009) 3.102 9.306 ( 0.350 5.361 -3.134) 6.220 9.508 ( -2.432 -0.342 -4.187) 4.854 ======================= Grid point 79 (37/116) ======================= q-point: ( 0.00 0.29 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 1.663 20.173 12.262) 23.666 1.280 ( 2.831 24.725 6.925) 25.832 1.958 ( 2.305 1.839 5.694) 6.412 2.140 ( -2.657 22.190 5.406) 22.993 2.209 ( -0.961 0.850 -4.640) 4.815 2.305 ( -0.093 -0.515 -0.107) 0.534 2.387 ( 0.155 1.628 3.008) 3.424 2.478 ( 0.137 -6.107 0.890) 6.174 2.610 ( 2.529 -3.439 -5.709) 7.129 2.767 ( -2.940 -0.501 0.109) 2.984 2.823 ( -0.343 2.990 -4.859) 5.715 2.893 ( 1.084 -1.519 -0.194) 1.876 2.983 ( 3.289 3.386 0.236) 4.726 3.125 ( -0.640 -0.033 3.975) 4.027 3.310 ( -0.990 -2.696 -1.685) 3.330 3.490 ( 2.027 2.033 1.368) 3.180 3.530 ( -2.950 1.913 3.459) 4.933 3.608 ( -2.848 0.678 -0.068) 2.929 3.733 ( -0.050 2.425 -0.069) 2.427 3.861 ( 0.896 0.863 -1.544) 1.983 4.037 ( 0.939 -6.505 1.652) 6.776 4.255 ( -2.026 -13.500 -1.405) 13.724 4.427 ( 0.269 -1.379 -0.397) 1.460 4.680 ( 0.760 -8.583 -2.398) 8.944 6.119 ( -0.439 4.821 8.978) 10.200 6.509 ( 1.526 -6.273 3.254) 7.230 6.568 ( -0.308 2.769 -1.564) 3.195 6.735 ( -0.011 1.661 4.115) 4.438 6.798 ( 0.836 0.068 6.313) 6.369 6.982 ( 2.974 -1.889 1.922) 4.013 7.112 ( 5.918 4.231 -0.660) 7.305 7.239 ( -3.816 0.554 2.419) 4.552 7.311 ( 0.271 1.643 -0.327) 1.697 7.443 ( -1.940 5.351 -0.962) 5.772 7.480 ( -1.735 0.412 0.543) 1.864 7.694 ( -0.044 3.338 -3.864) 5.106 7.859 ( -0.771 7.860 -6.013) 9.927 8.177 ( 0.597 -3.676 -0.961) 3.846 8.275 ( -2.777 -5.889 1.104) 6.604 8.358 ( -0.440 -2.866 -2.952) 4.138 8.375 ( -4.552 0.968 -0.652) 4.699 8.546 ( -1.086 -2.800 -0.225) 3.012 8.767 ( 3.199 0.061 1.322) 3.462 8.790 ( 2.930 -1.797 0.829) 3.536 9.019 ( 1.071 -0.106 -2.224) 2.470 9.050 ( 1.235 -1.012 -0.926) 1.846 9.399 ( 0.545 2.981 -5.852) 6.591 9.458 ( -1.804 1.170 -2.249) 3.112 ======================= Grid point 80 (38/116) ======================= q-point: ( 0.12 0.29 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 6.028 18.339 11.546) 22.493 1.352 ( 3.187 22.170 8.354) 23.905 2.016 ( 1.831 -0.818 5.423) 5.782 2.172 ( 1.781 11.047 2.640) 11.497 2.172 ( -0.259 5.725 -4.888) 7.532 2.313 ( 0.575 -1.866 -1.043) 2.214 2.409 ( 1.874 4.872 4.656) 6.994 2.488 ( 0.991 -2.887 0.726) 3.138 2.600 ( -2.268 -5.289 -4.993) 7.619 2.710 ( -3.395 1.201 0.557) 3.644 2.807 ( 0.302 3.963 -3.298) 5.165 2.900 ( -0.100 -3.141 -0.987) 3.294 3.055 ( 1.938 0.580 2.020) 2.859 3.119 ( 0.190 1.587 4.092) 4.393 3.264 ( -2.190 -3.192 -2.488) 4.601 3.428 ( -6.040 0.633 3.932) 7.234 3.463 ( -6.536 1.018 -0.840) 6.668 3.577 ( 1.986 0.769 1.173) 2.431 3.736 ( -0.127 -0.356 -2.134) 2.167 3.885 ( 1.551 4.190 0.725) 4.526 4.134 ( 6.753 -5.134 1.035) 8.546 4.240 ( 0.719 -10.661 -3.167) 11.145 4.421 ( -0.897 -0.626 -0.339) 1.145 4.674 ( -0.702 -7.948 -2.160) 8.267 6.131 ( -0.495 4.607 7.679) 8.969 6.535 ( -1.866 -5.219 1.327) 5.699 6.571 ( 2.238 2.971 1.220) 3.914 6.751 ( 0.896 2.016 5.498) 5.924 6.843 ( 1.659 0.174 7.558) 7.740 7.027 ( 1.101 -1.789 3.274) 3.890 7.147 ( -5.053 2.309 4.012) 6.853 7.212 ( 3.121 1.815 -0.841) 3.707 7.348 ( 1.589 0.078 -1.499) 2.186 7.423 ( 0.751 4.349 -0.363) 4.429 7.446 ( -0.979 0.708 -0.404) 1.274 7.631 ( -4.171 7.320 -6.078) 10.388 7.840 ( 0.679 7.498 -3.929) 8.492 8.141 ( -8.115 -1.468 -2.762) 8.697 8.160 ( -3.162 -1.952 -3.195) 4.900 8.289 ( -1.958 -3.561 2.897) 4.991 8.395 ( 1.595 -3.793 -2.004) 4.577 8.518 ( -0.724 -4.453 -1.596) 4.786 8.827 ( 2.301 -0.747 2.405) 3.411 8.845 ( 2.223 -2.297 -0.221) 3.204 8.993 ( -2.520 0.881 -1.527) 3.075 9.099 ( 2.498 -1.715 1.879) 3.565 9.382 ( -0.307 2.915 -4.591) 5.447 9.434 ( 0.001 0.867 -4.865) 4.942 ======================= Grid point 81 (39/116) ======================= q-point: ( 0.25 0.29 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 6.423 14.602 7.133) 17.475 1.535 ( 9.495 14.621 8.330) 19.321 2.042 ( -1.541 1.743 2.866) 3.691 2.131 ( -0.519 4.007 -3.076) 5.078 2.188 ( -2.096 0.126 1.246) 2.442 2.298 ( -2.324 -0.410 -2.467) 3.414 2.470 ( -0.037 -3.928 0.088) 3.930 2.492 ( 0.134 2.346 -1.429) 2.750 2.551 ( -0.940 -9.239 2.220) 9.549 2.639 ( -3.107 6.533 0.311) 7.241 2.835 ( 1.944 4.801 0.875) 5.253 2.890 ( 0.416 -2.496 -1.132) 2.772 3.005 ( -4.769 -1.536 2.834) 5.756 3.158 ( -2.287 -1.547 -2.862) 3.977 3.232 ( -0.627 -0.262 1.354) 1.515 3.321 ( -1.115 1.829 4.277) 4.784 3.416 ( 1.315 -0.383 1.495) 2.028 3.635 ( 3.329 2.832 0.420) 4.391 3.732 ( 1.259 -2.453 -5.030) 5.736 3.904 ( -0.368 7.310 2.336) 7.683 4.231 ( 0.986 -6.036 -0.495) 6.136 4.261 ( 2.201 -3.455 -1.479) 4.355 4.396 ( -0.772 0.248 -1.433) 1.647 4.648 ( -1.114 -6.064 -1.988) 6.478 6.141 ( -0.255 4.092 6.376) 7.580 6.472 ( -3.971 -1.037 0.978) 4.219 6.626 ( 2.249 3.333 2.439) 4.702 6.796 ( 1.965 2.292 5.482) 6.258 6.890 ( 0.956 -0.158 7.990) 8.049 7.028 ( -2.402 4.553 3.911) 6.465 7.090 ( -1.287 -2.244 1.554) 3.018 7.216 ( -1.698 0.413 -1.170) 2.103 7.315 ( -3.348 -0.813 -1.895) 3.932 7.458 ( 0.490 0.991 -0.189) 1.121 7.467 ( 3.075 3.343 -0.803) 4.613 7.580 ( 1.583 9.263 -3.205) 9.929 7.852 ( 0.309 3.954 -1.933) 4.412 7.981 ( -5.282 -0.147 -4.071) 6.671 8.090 ( -2.705 -0.638 -2.179) 3.531 8.258 ( -2.863 -3.172 2.783) 5.099 8.385 ( -1.875 -3.816 0.198) 4.256 8.546 ( 3.543 -7.131 -1.951) 8.198 8.859 ( -0.094 -1.489 -0.153) 1.500 8.879 ( 1.759 -1.882 -1.183) 2.835 8.931 ( -2.899 2.280 1.045) 3.833 9.132 ( 0.065 -3.004 1.999) 3.609 9.380 ( 1.051 2.037 -3.223) 3.955 9.421 ( 0.158 -0.312 -6.364) 6.373 ======================= Grid point 82 (40/116) ======================= q-point: ( 0.38 0.29 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 11.904 5.277 3.875) 13.585 1.716 ( 6.328 9.652 4.902) 12.540 1.965 ( -5.168 6.235 -0.427) 8.110 2.114 ( -4.198 -2.566 2.475) 5.508 2.144 ( -1.914 2.504 0.753) 3.240 2.198 ( -4.807 0.059 -2.333) 5.344 2.413 ( -1.609 -3.896 -3.709) 5.614 2.502 ( -1.679 -0.398 -2.108) 2.724 2.565 ( 0.810 -11.071 5.278) 12.292 2.592 ( -0.716 5.121 -0.760) 5.226 2.783 ( -4.985 -2.727 1.027) 5.774 2.922 ( -2.147 1.444 1.664) 3.077 2.976 ( 0.921 2.639 2.291) 3.614 3.090 ( -0.400 -4.273 -1.017) 4.411 3.205 ( 0.048 -2.425 -0.351) 2.451 3.386 ( 3.619 1.429 -1.043) 4.029 3.506 ( 6.115 1.380 3.769) 7.314 3.664 ( -0.362 -1.019 -1.798) 2.098 3.817 ( 8.599 5.143 -1.543) 10.137 3.878 ( -2.892 8.846 2.950) 9.763 4.145 ( -8.065 6.026 -1.253) 10.145 4.318 ( 3.134 -5.765 1.699) 6.778 4.385 ( -0.610 -3.039 -3.048) 4.347 4.633 ( 0.148 -3.942 -2.273) 4.553 6.153 ( -0.232 3.560 5.976) 6.960 6.407 ( -2.529 1.164 1.786) 3.308 6.662 ( 0.766 4.278 2.315) 4.924 6.846 ( 1.411 3.235 4.497) 5.716 6.912 ( -1.394 2.252 7.303) 7.769 6.973 ( -2.936 2.007 1.108) 3.725 7.076 ( -0.701 -2.268 0.078) 2.375 7.188 ( -0.209 -0.087 -0.237) 0.328 7.250 ( -2.425 1.567 0.490) 2.929 7.436 ( -1.354 1.918 -2.951) 3.771 7.521 ( 2.084 2.579 -1.521) 3.648 7.630 ( 1.329 4.267 -0.525) 4.500 7.810 ( -0.577 3.221 -3.290) 4.641 7.969 ( 1.820 -4.106 -0.556) 4.526 8.054 ( -0.525 -0.956 0.104) 1.096 8.209 ( -1.607 -0.105 1.797) 2.413 8.335 ( -3.740 -1.906 1.433) 4.435 8.614 ( 3.506 -7.361 -2.612) 8.562 8.823 ( -1.746 1.408 -2.273) 3.194 8.905 ( -1.166 0.774 3.617) 3.878 8.908 ( 1.197 -2.083 -0.875) 2.557 9.117 ( -1.432 -4.438 -0.090) 4.664 9.395 ( 0.711 0.856 -4.028) 4.179 9.413 ( 1.041 -0.841 -4.689) 4.876 ======================= Grid point 83 (41/116) ======================= q-point: (-0.50 0.29 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -4.643 6.583 0.579) 8.076 1.845 ( 3.002 3.663 1.237) 4.895 1.899 ( -1.127 5.091 0.196) 5.218 1.978 ( -7.537 -5.206 5.308) 10.587 2.075 ( 2.489 2.808 -1.403) 4.006 2.221 ( 3.106 -0.330 1.159) 3.331 2.381 ( -1.484 -6.579 -2.442) 7.173 2.480 ( 0.084 0.690 -2.577) 2.669 2.528 ( -0.498 1.688 -2.174) 2.797 2.635 ( 1.249 -4.365 3.116) 5.507 2.735 ( 1.027 -3.276 1.651) 3.810 2.866 ( -3.765 1.869 1.669) 4.523 2.974 ( 0.108 0.174 -0.283) 0.349 3.085 ( -1.537 -0.130 3.162) 3.518 3.256 ( 3.514 -6.758 -2.146) 7.913 3.440 ( 1.982 0.241 -1.227) 2.344 3.634 ( 1.306 2.900 0.134) 3.184 3.641 ( 2.768 -3.392 2.151) 4.878 3.811 ( -4.247 9.725 2.369) 10.873 3.953 ( -9.400 11.543 -0.738) 14.904 4.020 ( 10.452 6.997 0.935) 12.612 4.321 ( -3.067 -2.305 -2.417) 4.534 4.409 ( 3.655 -6.838 1.221) 7.849 4.631 ( 0.027 -3.365 -2.735) 4.337 6.155 ( -1.342 4.187 6.212) 7.610 6.396 ( 0.897 2.203 2.740) 3.629 6.664 ( -1.105 4.052 1.443) 4.440 6.845 ( -4.874 7.686 0.081) 9.101 6.867 ( -0.844 1.414 5.770) 6.000 6.948 ( -1.052 -3.481 1.752) 4.037 7.059 ( -1.098 -2.138 -0.171) 2.410 7.198 ( 0.442 -0.578 -0.719) 1.023 7.249 ( 2.353 1.707 4.003) 4.947 7.419 ( 0.900 4.168 -3.360) 5.429 7.536 ( 0.459 -0.595 -3.708) 3.783 7.607 ( -1.755 4.571 -0.396) 4.912 7.852 ( 3.146 3.690 -4.437) 6.573 7.961 ( -2.037 -1.112 4.440) 5.010 8.082 ( 2.394 -6.806 2.025) 7.494 8.232 ( 3.391 1.421 0.504) 3.711 8.250 ( -4.330 0.561 0.656) 4.416 8.663 ( 2.169 -7.295 -3.343) 8.312 8.817 ( 1.604 1.878 -0.487) 2.518 8.875 ( -2.914 -0.019 3.174) 4.309 8.918 ( -0.109 -1.352 -0.649) 1.503 9.087 ( -1.190 -4.783 -1.945) 5.299 9.386 ( -0.031 0.471 -4.584) 4.608 9.439 ( 2.092 -1.136 -3.123) 3.927 ======================= Grid point 84 (42/116) ======================= q-point: (-0.38 0.29 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -13.773 7.272 0.611) 15.587 1.698 ( -13.268 8.520 5.740) 16.781 1.880 ( 1.554 2.579 -0.698) 3.090 2.009 ( 5.162 -0.972 -0.696) 5.298 2.191 ( 4.075 1.989 1.610) 4.812 2.287 ( 2.920 -3.759 -0.858) 4.837 2.343 ( -0.855 -7.106 -2.037) 7.442 2.473 ( 0.641 -2.134 -3.542) 4.185 2.597 ( 6.796 3.948 -0.705) 7.891 2.672 ( 1.665 -2.685 1.841) 3.657 2.788 ( -2.775 6.168 2.519) 7.218 2.806 ( 3.610 -5.313 0.375) 6.434 2.993 ( 2.432 -0.162 -1.719) 2.983 3.058 ( -1.942 2.017 3.889) 4.792 3.280 ( -0.935 -4.390 -2.909) 5.349 3.427 ( -4.661 3.316 0.927) 5.795 3.560 ( -4.304 0.150 6.612) 7.891 3.730 ( -0.157 -0.813 -0.096) 0.834 3.784 ( 1.510 2.804 -1.557) 3.545 3.811 ( -1.591 10.356 1.181) 10.544 4.218 ( 8.016 5.490 -0.336) 9.722 4.240 ( -3.719 -2.747 -1.993) 5.035 4.473 ( 1.646 -6.736 2.049) 7.231 4.616 ( -0.455 -3.998 -3.309) 5.209 6.135 ( -2.218 5.560 6.696) 8.981 6.449 ( 3.259 2.152 3.423) 5.193 6.628 ( -2.539 2.924 0.206) 3.878 6.743 ( -4.886 5.781 -1.632) 7.743 6.858 ( -1.935 1.616 6.752) 7.208 6.921 ( -1.610 -2.740 -0.695) 3.253 7.033 ( -1.333 -2.368 -0.291) 2.733 7.218 ( 1.933 -1.932 0.752) 2.835 7.324 ( 3.623 1.339 -0.909) 3.968 7.444 ( 1.066 5.102 1.289) 5.369 7.542 ( 1.407 -0.886 -2.935) 3.374 7.595 ( 0.884 5.245 0.100) 5.320 7.833 ( -2.472 7.136 -4.430) 8.755 7.983 ( 2.434 -1.874 4.359) 5.332 8.133 ( 2.114 -3.674 3.242) 5.336 8.213 ( 0.935 0.044 1.243) 1.556 8.319 ( 4.951 -1.092 -0.375) 5.083 8.682 ( 0.918 -7.505 -3.141) 8.187 8.807 ( -4.599 -0.260 1.681) 4.903 8.848 ( -0.225 -0.271 -1.151) 1.203 8.916 ( 1.167 0.279 0.129) 1.207 9.061 ( -0.829 -3.191 -3.117) 4.537 9.377 ( 0.301 1.361 -3.438) 3.710 9.474 ( 2.158 -1.715 -2.976) 4.057 ======================= Grid point 85 (43/116) ======================= q-point: (-0.25 0.29 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -11.255 14.407 2.769) 18.491 1.464 ( -11.941 14.117 7.473) 19.943 1.900 ( 0.583 2.366 0.517) 2.491 2.144 ( 7.089 0.314 -1.317) 7.217 2.226 ( 0.631 2.419 -0.072) 2.501 2.299 ( 0.641 -6.022 -0.964) 6.132 2.355 ( 0.753 -2.856 -1.493) 3.310 2.491 ( 1.872 -4.211 -4.595) 6.507 2.628 ( -6.293 8.830 4.604) 11.780 2.734 ( 6.428 3.005 -0.522) 7.115 2.791 ( 2.504 -1.399 -0.646) 2.940 2.875 ( 1.485 -0.111 0.152) 1.496 2.998 ( -3.253 -0.964 -1.214) 3.604 3.128 ( 9.590 3.430 3.982) 10.936 3.194 ( -5.554 4.803 0.269) 7.348 3.326 ( -3.225 -1.083 0.409) 3.426 3.550 ( 0.462 -2.725 5.857) 6.477 3.677 ( -3.684 3.166 1.344) 5.040 3.780 ( 0.839 0.864 -2.435) 2.717 3.870 ( 1.772 0.428 -0.380) 1.862 4.146 ( -4.248 -5.668 -1.708) 7.286 4.346 ( 4.186 4.093 -1.407) 6.021 4.454 ( -4.009 -8.787 2.582) 9.997 4.622 ( 1.989 -5.279 -3.248) 6.509 6.111 ( -1.858 6.118 7.744) 10.043 6.507 ( 0.418 -3.684 1.494) 3.997 6.602 ( 0.980 5.140 1.730) 5.511 6.658 ( -2.622 6.121 -2.175) 7.005 6.822 ( -3.283 1.778 7.513) 8.390 6.898 ( -0.081 -1.193 -2.257) 2.554 7.016 ( -0.225 -1.773 0.536) 1.866 7.258 ( 1.373 -2.671 -0.723) 3.089 7.359 ( 0.716 2.213 -3.438) 4.151 7.466 ( 0.837 1.823 4.104) 4.568 7.551 ( -1.424 4.783 1.827) 5.315 7.634 ( 2.886 2.838 -3.284) 5.212 7.808 ( 1.670 6.784 -3.524) 7.825 8.060 ( 4.350 -0.581 4.222) 6.090 8.192 ( 3.179 -0.997 1.666) 3.725 8.273 ( 3.779 -3.725 3.280) 6.238 8.409 ( 4.143 -0.785 -1.567) 4.498 8.679 ( -3.289 -6.267 2.149) 7.397 8.722 ( -1.264 -0.306 -3.874) 4.087 8.794 ( -3.788 -1.319 -2.015) 4.489 8.956 ( 2.019 0.502 -0.886) 2.261 9.044 ( 0.057 -1.618 -3.039) 3.443 9.381 ( 0.820 2.513 -2.825) 3.869 9.501 ( 1.180 -1.720 -2.836) 3.521 ======================= Grid point 86 (44/116) ======================= q-point: (-0.12 0.29 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -1.500 21.763 6.801) 22.850 1.293 ( -6.737 20.044 8.429) 22.764 1.915 ( 0.848 2.963 3.203) 4.445 2.194 ( -1.562 8.255 1.672) 8.567 2.233 ( -0.051 -0.234 -3.614) 3.622 2.335 ( -2.378 2.761 0.340) 3.659 2.355 ( 3.092 -2.583 1.656) 4.356 2.486 ( -2.018 -2.438 1.275) 3.412 2.565 ( 1.766 3.204 -3.147) 4.826 2.816 ( -0.134 -0.755 0.159) 0.783 2.830 ( 1.991 -0.264 -4.927) 5.320 2.866 ( -0.518 2.779 1.449) 3.177 2.945 ( 0.144 2.070 -1.522) 2.574 3.132 ( -1.470 2.253 3.500) 4.415 3.303 ( 0.932 -2.324 -1.221) 2.786 3.355 ( 9.925 2.327 3.880) 10.908 3.574 ( -0.373 1.008 2.344) 2.579 3.622 ( -1.642 -0.238 2.710) 3.178 3.769 ( -1.964 0.512 -1.726) 2.664 3.864 ( -0.824 0.009 -2.068) 2.226 4.072 ( -3.153 -6.249 0.203) 7.002 4.332 ( -4.869 -10.192 -0.856) 11.328 4.416 ( 0.677 -0.971 0.668) 1.359 4.658 ( 2.048 -7.434 -2.700) 8.170 6.106 ( -0.803 5.499 8.960) 10.544 6.494 ( -0.633 -6.572 1.476) 6.765 6.587 ( -1.436 3.957 -1.871) 4.607 6.698 ( 3.454 4.314 2.972) 6.275 6.787 ( -1.666 1.514 6.666) 7.036 6.914 ( 2.608 1.213 -1.318) 3.164 7.033 ( 1.942 0.206 1.155) 2.269 7.263 ( -0.113 -1.050 -1.274) 1.655 7.346 ( -1.745 1.244 -0.401) 2.180 7.482 ( -0.868 2.188 1.880) 3.012 7.508 ( -2.207 5.002 1.247) 5.607 7.676 ( 2.253 2.294 -4.027) 5.153 7.854 ( 2.682 6.000 -3.706) 7.545 8.148 ( 2.866 -0.865 1.918) 3.556 8.256 ( 2.880 -3.384 -0.340) 4.457 8.347 ( 1.840 -5.806 4.040) 7.309 8.454 ( -0.010 1.498 -3.030) 3.380 8.584 ( -4.208 -2.205 1.616) 5.018 8.730 ( -0.707 -0.728 -1.341) 1.681 8.742 ( 2.033 -1.922 -1.520) 3.184 8.987 ( 1.822 -0.067 -1.986) 2.696 9.045 ( 0.506 -0.979 -2.493) 2.726 9.392 ( 1.115 3.218 -3.639) 4.984 9.497 ( -0.943 -0.757 -2.776) 3.028 ======================= Grid point 87 (45/116) ======================= q-point: ( 0.00 0.43 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 1.729 17.038 8.070) 18.932 1.750 ( 2.883 20.049 2.436) 20.401 1.883 ( 1.144 -6.981 6.551) 9.641 2.147 ( 1.289 -14.250 0.507) 14.317 2.244 ( 0.915 1.783 -4.126) 4.587 2.278 ( -0.172 -1.492 -1.222) 1.936 2.345 ( 0.161 -0.641 -0.676) 0.945 2.400 ( 0.549 -5.856 -3.527) 6.858 2.736 ( -1.385 8.586 -0.638) 8.721 2.814 ( 0.213 -1.007 -3.998) 4.128 2.853 ( -0.266 3.767 -3.943) 5.459 2.906 ( -0.686 0.087 -2.010) 2.125 3.082 ( 0.171 3.878 -0.326) 3.896 3.165 ( -0.045 -1.611 -2.458) 2.940 3.328 ( -0.496 15.370 5.284) 16.260 3.534 ( -1.092 1.881 0.877) 2.345 3.568 ( -2.686 0.168 -0.339) 2.713 3.633 ( -0.490 -1.025 0.969) 1.493 3.752 ( -0.665 -0.054 3.571) 3.633 3.856 ( 3.340 -2.876 1.050) 4.531 3.904 ( 0.651 -5.773 4.068) 7.092 3.941 ( -2.396 -12.305 2.114) 12.713 4.435 ( -0.154 2.283 0.135) 2.292 4.523 ( 0.122 -6.416 -0.193) 6.420 6.233 ( -0.159 6.248 6.562) 9.063 6.367 ( 0.666 -7.085 4.561) 8.452 6.639 ( 0.283 3.743 -0.582) 3.799 6.709 ( 1.191 -3.026 1.026) 3.410 6.841 ( -0.318 3.263 8.509) 9.119 6.913 ( 0.648 -3.839 6.650) 7.706 7.204 ( 3.705 3.858 -0.324) 5.359 7.249 ( 0.481 -0.463 0.582) 0.886 7.353 ( -1.443 2.857 -1.579) 3.569 7.421 ( -2.250 -3.338 -1.156) 4.189 7.615 ( -1.000 7.776 -1.185) 7.929 7.719 ( 0.687 -1.804 -1.511) 2.451 8.011 ( 1.241 6.802 -5.555) 8.870 8.134 ( -1.298 -4.461 -1.084) 4.771 8.160 ( -1.575 0.218 -0.066) 1.592 8.258 ( -2.616 -6.227 -2.761) 7.297 8.426 ( -2.779 2.892 -1.855) 4.419 8.485 ( -1.829 -3.057 -1.493) 3.862 8.762 ( 2.678 -0.230 1.753) 3.209 8.766 ( 2.531 -0.604 1.709) 3.113 9.022 ( 1.174 0.328 -1.886) 2.246 9.032 ( 1.130 -0.719 -1.340) 1.895 9.445 ( 0.006 1.656 -4.254) 4.565 9.466 ( -0.631 -0.379 -3.088) 3.175 ======================= Grid point 88 (46/116) ======================= q-point: ( 0.12 0.43 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 4.912 16.292 8.335) 18.948 1.788 ( -0.213 20.145 4.466) 20.636 1.946 ( 3.394 -7.362 7.029) 10.729 2.140 ( -2.397 -12.133 1.914) 12.515 2.243 ( 0.238 2.950 -5.024) 5.831 2.278 ( 0.406 -1.598 -0.301) 1.676 2.335 ( -1.055 -2.587 -0.073) 2.795 2.389 ( -0.836 -7.156 -3.432) 7.981 2.703 ( -2.149 8.374 -3.347) 9.271 2.798 ( -0.601 0.207 -2.716) 2.789 2.849 ( 0.804 1.653 -4.929) 5.260 2.878 ( -0.864 0.367 -2.509) 2.679 3.055 ( -3.000 1.462 0.714) 3.413 3.142 ( -2.266 -5.299 -3.323) 6.652 3.358 ( 2.166 15.560 2.814) 15.960 3.452 ( -7.639 2.158 3.510) 8.679 3.465 ( -5.806 -0.247 2.040) 6.159 3.632 ( 2.065 -1.980 -2.521) 3.813 3.695 ( -2.023 2.489 2.696) 4.191 3.932 ( 4.025 -12.588 3.363) 13.637 3.976 ( 4.404 0.579 3.503) 5.657 4.052 ( 7.787 -4.691 1.121) 9.160 4.439 ( 0.455 2.545 -0.259) 2.598 4.526 ( 0.284 -6.112 -0.554) 6.143 6.246 ( -0.264 6.579 5.935) 8.864 6.390 ( 0.047 -7.559 4.000) 8.553 6.667 ( 2.430 5.132 1.111) 5.786 6.755 ( 2.962 -2.861 2.006) 4.580 6.862 ( -0.001 3.045 9.012) 9.512 6.947 ( 1.005 -4.832 6.663) 8.291 7.218 ( -3.378 3.629 2.986) 5.787 7.247 ( 0.055 0.818 -0.814) 1.156 7.341 ( -0.459 0.600 -2.783) 2.884 7.389 ( 0.277 -3.354 0.323) 3.381 7.606 ( 0.531 8.923 -2.532) 9.290 7.720 ( 0.007 -0.504 -3.232) 3.272 7.982 ( -2.094 6.070 -4.366) 7.765 8.059 ( -4.686 -2.287 -2.570) 5.813 8.138 ( -1.967 -1.200 0.630) 2.388 8.207 ( -1.092 -5.308 -0.602) 5.453 8.372 ( -1.745 1.504 -3.994) 4.611 8.430 ( -2.794 -3.854 -3.353) 5.822 8.812 ( 1.729 -0.458 1.761) 2.510 8.816 ( 1.942 -0.794 1.253) 2.444 9.021 ( -0.706 1.797 -0.552) 2.008 9.061 ( 1.123 -2.056 0.718) 2.450 9.425 ( -0.598 1.435 -4.507) 4.767 9.442 ( -0.790 -0.189 -4.229) 4.306 ======================= Grid point 89 (47/116) ======================= q-point: ( 0.25 0.43 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -0.775 16.662 5.518) 17.569 1.835 ( 5.189 13.495 4.808) 15.237 2.032 ( 2.657 -3.957 4.869) 6.813 2.079 ( -3.599 -11.725 4.606) 13.101 2.225 ( -0.829 4.419 -4.818) 6.589 2.277 ( -1.411 -1.037 -0.823) 1.935 2.314 ( -0.630 -5.251 2.696) 5.936 2.349 ( -2.043 -6.967 -4.089) 8.333 2.637 ( -2.989 7.061 -4.115) 8.702 2.749 ( -3.671 -1.568 -0.544) 4.028 2.836 ( -1.652 3.691 -6.141) 7.353 2.905 ( 4.056 -0.568 -4.672) 6.213 2.986 ( -3.154 -0.041 1.409) 3.455 3.050 ( -6.052 -6.297 -2.987) 9.230 3.312 ( -5.894 3.330 4.835) 8.319 3.355 ( -1.571 -0.694 0.956) 1.966 3.470 ( 3.512 8.025 4.185) 9.708 3.628 ( -0.626 -6.148 -2.037) 6.506 3.783 ( 8.395 10.540 1.016) 13.513 4.036 ( 5.538 -12.217 2.809) 13.704 4.047 ( 1.692 6.497 2.874) 7.303 4.170 ( 3.611 -5.504 0.117) 6.584 4.440 ( -0.611 3.521 -0.316) 3.587 4.529 ( 0.184 -5.332 -0.852) 5.403 6.250 ( -0.615 6.390 4.682) 7.945 6.383 ( -1.350 -6.377 2.549) 6.999 6.725 ( 2.470 5.647 2.604) 6.691 6.823 ( 2.919 -3.047 2.564) 4.938 6.885 ( 0.175 3.534 8.277) 9.001 6.986 ( 1.345 -5.352 5.064) 7.490 7.156 ( -3.306 4.635 3.549) 6.709 7.213 ( -2.520 -1.147 -0.413) 2.799 7.314 ( -1.589 2.552 -1.289) 3.271 7.408 ( 0.485 -5.024 0.030) 5.047 7.610 ( 0.338 8.625 -2.897) 9.105 7.726 ( 1.947 0.776 -2.529) 3.285 7.907 ( -4.853 1.638 -3.977) 6.485 7.947 ( -5.900 -0.726 -2.178) 6.331 8.111 ( -0.023 3.226 -0.003) 3.226 8.201 ( -0.136 -3.487 0.980) 3.624 8.342 ( -0.818 -0.350 -2.125) 2.303 8.397 ( 1.004 -6.330 -2.587) 6.912 8.837 ( 0.757 -0.294 0.023) 0.813 8.848 ( 1.248 -1.162 -0.369) 1.744 8.992 ( -2.211 3.450 0.771) 4.170 9.064 ( -1.209 -3.620 1.305) 4.033 9.408 ( 0.071 0.802 -4.305) 4.380 9.417 ( -0.428 -0.236 -5.027) 5.051 ======================= Grid point 90 (48/116) ======================= q-point: ( 0.38 0.43 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 2.361 8.758 3.248) 9.635 1.897 ( -0.591 3.784 0.067) 3.831 2.034 ( -0.666 -1.877 6.238) 6.548 2.074 ( -1.149 1.738 0.729) 2.207 2.177 ( -3.875 1.891 -2.056) 4.777 2.222 ( -1.812 1.716 -2.615) 3.614 2.294 ( -1.993 -5.818 -1.118) 6.251 2.341 ( 1.270 -8.339 4.110) 9.383 2.584 ( -1.073 5.783 -3.050) 6.626 2.686 ( -2.145 -2.020 -0.687) 3.026 2.750 ( -4.348 5.396 -5.078) 8.592 2.923 ( -3.583 -8.675 -5.723) 10.993 2.956 ( -0.024 1.325 -0.509) 1.420 2.990 ( 2.971 -2.015 -0.388) 3.610 3.249 ( -2.391 5.068 6.563) 8.630 3.356 ( 0.723 -4.515 1.973) 4.980 3.550 ( 3.598 3.484 1.528) 5.236 3.622 ( 0.540 -3.123 -1.448) 3.484 3.969 ( 9.154 9.257 1.524) 13.107 4.058 ( -0.738 8.104 1.773) 8.329 4.157 ( 6.014 -8.070 1.915) 10.245 4.189 ( -1.467 -4.131 -0.814) 4.459 4.405 ( -2.923 5.209 0.064) 5.973 4.530 ( 0.006 -6.125 -0.895) 6.190 6.251 ( -0.365 5.735 4.221) 7.130 6.363 ( -0.982 -4.763 2.433) 5.438 6.761 ( 0.443 5.215 2.940) 6.003 6.859 ( -0.201 -4.337 4.642) 6.355 6.919 ( 1.220 4.289 3.729) 5.813 7.010 ( -0.386 -3.902 1.922) 4.367 7.107 ( -3.106 6.110 3.818) 7.846 7.177 ( -0.828 -1.300 0.432) 1.601 7.279 ( -1.323 3.190 0.582) 3.503 7.400 ( -0.373 -6.548 -2.321) 6.958 7.605 ( -0.620 8.186 -1.929) 8.433 7.776 ( 0.936 5.384 0.426) 5.481 7.794 ( -2.838 -8.390 -3.816) 9.644 7.855 ( -1.560 -0.480 -1.730) 2.378 8.119 ( -0.124 5.840 1.633) 6.066 8.207 ( 0.637 -1.282 1.474) 2.055 8.327 ( -0.450 1.656 -1.467) 2.258 8.439 ( 2.902 -8.992 -2.222) 9.706 8.845 ( 0.356 0.967 -1.073) 1.488 8.870 ( 1.288 -1.591 -0.642) 2.145 8.947 ( -2.450 3.217 1.539) 4.327 9.026 ( -2.479 -4.437 0.254) 5.089 9.400 ( 0.126 0.153 -5.217) 5.220 9.406 ( 0.718 -0.272 -3.882) 3.958 ======================= Grid point 91 (49/116) ======================= q-point: (-0.50 0.43 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -2.291 1.811 1.984) 3.530 1.875 ( 1.412 -0.931 0.171) 1.700 1.993 ( -4.175 4.110 -0.086) 5.859 2.006 ( -5.655 4.273 -0.358) 7.097 2.119 ( 1.227 2.346 -0.950) 2.812 2.220 ( 0.600 -4.050 -2.255) 4.674 2.262 ( -0.814 -0.081 2.142) 2.293 2.369 ( 0.449 -8.022 1.642) 8.201 2.591 ( 2.426 4.460 -1.817) 5.392 2.666 ( 0.187 -2.787 -0.726) 2.886 2.696 ( 0.862 6.883 -3.962) 7.989 2.869 ( -0.658 -7.303 -3.843) 8.279 2.956 ( 0.297 3.329 -1.256) 3.571 3.044 ( 2.563 -4.726 -1.239) 5.517 3.235 ( -1.093 5.567 6.631) 8.727 3.374 ( 0.191 -6.609 3.890) 7.671 3.611 ( 1.722 0.983 1.137) 2.285 3.640 ( 1.648 -1.143 -0.628) 2.101 4.001 ( -3.588 8.367 0.790) 9.138 4.097 ( -4.320 1.852 0.883) 4.782 4.174 ( 5.638 3.490 -0.187) 6.633 4.271 ( 4.504 -6.186 2.752) 8.132 4.339 ( -2.947 7.504 -0.247) 8.066 4.520 ( -0.723 -7.844 -1.384) 7.998 6.258 ( -0.211 5.761 4.713) 7.446 6.367 ( 0.637 -4.386 3.334) 5.546 6.761 ( -1.101 5.269 2.157) 5.799 6.856 ( -1.161 -3.893 5.043) 6.476 6.914 ( -2.684 2.256 0.430) 3.533 6.966 ( -3.488 -0.588 -2.743) 4.476 7.059 ( -2.330 5.072 3.937) 6.830 7.161 ( -1.506 -3.465 0.980) 3.904 7.296 ( 3.106 4.305 1.654) 5.560 7.420 ( 3.003 -6.558 -1.833) 7.442 7.576 ( -0.910 7.695 -2.463) 8.131 7.694 ( -3.024 -0.377 -3.114) 4.357 7.858 ( 3.837 -2.404 3.891) 5.970 7.889 ( 4.182 -2.728 0.694) 5.041 8.104 ( -2.000 7.490 1.623) 7.921 8.218 ( -0.635 -2.616 1.302) 2.990 8.315 ( 0.617 5.003 -2.761) 5.747 8.475 ( 1.258 -10.250 -2.431) 10.609 8.853 ( 0.136 1.619 -0.028) 1.625 8.886 ( -0.646 -1.507 -0.096) 1.643 8.911 ( -0.444 3.008 0.790) 3.142 8.991 ( -0.442 -4.581 -1.102) 4.732 9.394 ( 0.628 0.708 -4.744) 4.837 9.415 ( 1.223 -1.215 -3.741) 4.119 ======================= Grid point 92 (50/116) ======================= q-point: (-0.38 0.43 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -6.900 9.412 1.469) 11.762 1.862 ( -6.923 4.588 0.332) 8.312 1.927 ( 1.903 -3.889 1.699) 4.651 1.942 ( -1.347 -0.029 -1.998) 2.410 2.199 ( 3.902 -2.203 -1.144) 4.625 2.212 ( 1.254 -3.670 0.182) 3.882 2.273 ( 1.049 3.315 -0.819) 3.573 2.372 ( 0.152 -6.066 -1.841) 6.341 2.664 ( 4.895 2.643 -0.875) 5.631 2.701 ( 3.351 1.057 -0.204) 3.519 2.742 ( 4.274 2.430 -4.434) 6.621 2.867 ( 1.173 -4.239 -3.019) 5.335 2.965 ( 1.299 4.461 -2.135) 5.114 3.090 ( 2.657 -4.958 -1.083) 5.728 3.235 ( -0.325 5.471 5.904) 8.056 3.386 ( 0.117 -6.986 5.075) 8.636 3.600 ( -3.632 3.788 3.156) 6.123 3.671 ( 0.764 -3.207 0.500) 3.335 3.914 ( -5.005 6.771 -0.545) 8.437 3.983 ( -5.337 3.111 -0.479) 6.196 4.186 ( -4.722 2.137 2.470) 5.742 4.322 ( -1.173 -8.108 3.047) 8.741 4.364 ( 4.747 7.175 -0.553) 8.622 4.507 ( 0.360 -6.662 -1.861) 6.927 6.260 ( -1.032 6.718 5.226) 8.574 6.392 ( 0.391 -5.901 3.698) 6.975 6.729 ( -2.247 5.869 0.237) 6.288 6.815 ( -4.381 -1.213 -1.685) 4.848 6.859 ( -1.886 0.730 5.923) 6.259 6.899 ( -2.192 -1.664 -1.701) 3.236 7.039 ( -0.395 4.589 2.598) 5.288 7.150 ( 0.628 -4.773 0.716) 4.867 7.374 ( 3.656 3.780 -0.165) 5.261 7.461 ( 0.695 -3.960 -0.932) 4.127 7.594 ( 3.321 5.590 -0.917) 6.567 7.659 ( 0.112 0.129 -1.830) 1.838 7.951 ( 4.484 0.235 3.547) 5.722 7.987 ( 3.989 0.722 1.876) 4.467 8.053 ( -1.903 3.885 1.945) 4.743 8.184 ( -2.236 -3.819 -1.500) 4.673 8.360 ( 4.031 3.944 -0.741) 5.688 8.492 ( 1.613 -9.369 -1.146) 9.575 8.818 ( -3.423 1.187 -0.148) 3.626 8.843 ( -2.916 -0.973 -1.217) 3.306 8.943 ( 2.368 2.318 -0.254) 3.324 8.998 ( 1.035 -3.001 -1.901) 3.700 9.402 ( 1.288 1.346 -3.851) 4.278 9.436 ( 1.741 -1.917 -3.349) 4.233 ======================= Grid point 93 (51/116) ======================= q-point: (-0.25 0.43 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -3.439 16.428 1.482) 16.850 1.737 ( -5.267 11.203 2.663) 12.663 1.901 ( -2.413 -3.737 1.005) 4.560 1.998 ( 4.488 -12.293 0.962) 13.122 2.218 ( 1.334 0.560 -2.330) 2.742 2.270 ( 1.280 -2.815 -1.653) 3.506 2.304 ( 2.309 1.820 -0.645) 3.010 2.375 ( 0.979 -5.345 -3.476) 6.451 2.741 ( 2.806 1.819 -0.516) 3.383 2.768 ( 2.316 -1.001 0.312) 2.542 2.826 ( 4.842 4.341 -5.606) 8.586 2.894 ( 1.921 -1.243 -2.768) 3.591 3.002 ( 3.034 5.487 -2.596) 6.787 3.147 ( 3.109 -6.318 -2.656) 7.526 3.275 ( 4.041 7.678 6.224) 10.677 3.409 ( 0.489 -1.329 2.515) 2.886 3.500 ( -5.813 5.855 8.261) 11.676 3.668 ( -0.987 -6.021 0.473) 6.120 3.818 ( -4.394 4.870 0.248) 6.564 3.900 ( -3.439 -1.085 -1.609) 3.949 4.082 ( -5.955 2.506 2.718) 7.009 4.243 ( -7.040 -10.768 2.494) 13.104 4.433 ( 1.869 3.962 0.011) 4.381 4.519 ( 0.717 -4.762 -0.892) 4.898 6.244 ( -1.814 6.951 5.434) 9.008 6.385 ( -1.801 -6.932 2.714) 7.660 6.692 ( -1.526 3.434 0.021) 3.758 6.729 ( -3.051 0.258 -2.203) 3.772 6.842 ( -1.633 1.140 6.811) 7.096 6.878 ( -0.373 -2.092 2.674) 3.416 7.060 ( 2.147 6.046 0.668) 6.450 7.182 ( 2.159 -5.016 -0.412) 5.477 7.413 ( 0.510 2.866 -2.628) 3.922 7.464 ( 0.126 -1.750 0.373) 1.794 7.653 ( 1.414 3.742 1.443) 4.252 7.678 ( 1.807 0.981 -1.810) 2.739 7.960 ( -0.800 8.529 -4.429) 9.644 8.073 ( 5.463 2.377 5.417) 8.052 8.132 ( 1.200 -8.027 0.592) 8.138 8.147 ( 3.265 -3.759 2.369) 5.514 8.447 ( 4.345 2.935 -0.625) 5.280 8.534 ( 1.988 -6.203 0.444) 6.528 8.739 ( -3.584 1.432 -2.044) 4.367 8.770 ( -3.683 -1.403 -1.839) 4.349 8.979 ( 1.413 1.533 -1.541) 2.593 9.012 ( 0.909 -1.634 -2.331) 2.988 9.423 ( 1.608 1.895 -3.137) 4.002 9.462 ( 1.588 -2.023 -2.861) 3.847 ======================= Grid point 94 (52/116) ======================= q-point: (-0.12 0.43 0.14) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -1.361 17.290 5.070) 18.069 1.697 ( 0.796 18.171 2.112) 18.310 1.869 ( -1.157 -6.153 4.160) 7.517 2.091 ( 4.242 -15.452 0.271) 16.026 2.234 ( 0.988 1.662 -3.244) 3.776 2.280 ( 0.389 -2.023 -1.489) 2.542 2.334 ( 1.093 0.724 -1.110) 1.717 2.390 ( 1.317 -5.275 -3.865) 6.671 2.762 ( -0.552 4.866 -0.273) 4.905 2.802 ( 1.701 -0.919 -2.149) 2.890 2.866 ( 0.536 3.485 -3.686) 5.101 2.913 ( 0.655 -0.192 -3.041) 3.116 3.057 ( 2.517 6.889 -1.418) 7.471 3.173 ( 0.357 -3.470 -2.667) 4.391 3.347 ( -2.828 14.666 3.763) 15.403 3.443 ( 7.895 5.870 5.648) 11.344 3.533 ( 4.798 -3.923 4.144) 7.455 3.643 ( -1.620 -4.208 0.290) 4.519 3.751 ( -2.312 0.289 1.641) 2.850 3.834 ( -2.208 -4.298 -0.771) 4.893 3.976 ( -5.578 -0.711 2.797) 6.280 4.081 ( -9.505 -10.958 2.349) 14.695 4.443 ( -0.422 2.618 0.227) 2.662 4.523 ( -0.039 -5.500 -0.296) 5.508 6.227 ( -1.117 6.365 6.007) 8.823 6.359 ( -1.060 -6.678 3.211) 7.486 6.655 ( -1.585 2.751 -1.235) 3.406 6.700 ( -0.290 -1.816 0.314) 1.865 6.834 ( -1.021 2.640 7.665) 8.171 6.888 ( 0.284 -2.786 5.308) 6.001 7.124 ( 4.094 6.162 -0.465) 7.413 7.221 ( 1.914 -3.255 -0.672) 3.835 7.394 ( -1.631 3.068 -1.829) 3.926 7.457 ( -1.060 -2.827 -0.472) 3.055 7.646 ( -1.676 5.976 0.441) 6.222 7.706 ( 1.136 -0.124 -1.241) 1.687 7.974 ( 2.855 6.439 -4.528) 8.373 8.124 ( 0.847 -8.039 -1.710) 8.263 8.171 ( 2.216 3.083 2.375) 4.478 8.255 ( 3.485 -4.341 2.307) 6.026 8.485 ( -1.242 1.499 -1.663) 2.560 8.526 ( -2.552 -2.813 0.140) 3.801 8.712 ( 1.529 0.204 -0.927) 1.800 8.727 ( 0.484 -0.847 -0.363) 1.041 8.998 ( 1.302 1.027 -2.278) 2.817 9.022 ( 0.764 -1.255 -2.375) 2.793 9.443 ( 1.110 1.987 -3.327) 4.031 9.476 ( 0.458 -1.353 -2.774) 3.120 ======================= Grid point 119 (53/116) ======================= q-point: ( 0.00 0.00 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 3.430 0.000 22.240) 22.503 1.147 ( -1.142 0.000 23.776) 23.804 1.867 ( -5.702 0.000 30.471) 31.000 2.071 ( -3.000 0.000 -8.968) 9.456 2.085 ( 1.772 0.000 4.657) 4.983 2.267 ( -0.094 0.000 -2.010) 2.012 2.358 ( 1.660 0.000 0.791) 1.839 2.439 ( -0.137 0.000 -2.142) 2.147 2.691 ( -3.043 0.000 -3.743) 4.824 2.721 ( 5.686 0.000 1.020) 5.777 2.949 ( 2.565 0.000 -1.431) 2.937 2.972 ( 0.036 0.000 2.965) 2.965 3.078 ( 1.201 0.000 -0.308) 1.240 3.198 ( 0.149 0.000 1.574) 1.581 3.237 ( 2.672 0.000 -0.297) 2.688 3.472 ( 1.671 0.000 -0.889) 1.893 3.496 ( -4.728 0.000 -2.933) 5.564 3.607 ( -1.556 0.000 -2.181) 2.679 3.699 ( 1.482 0.000 9.255) 9.373 3.833 ( -1.761 0.000 1.768) 2.495 4.116 ( -0.252 0.000 -3.970) 3.978 4.372 ( 3.190 0.000 -4.472) 5.493 4.456 ( -5.254 0.000 -4.479) 6.904 4.711 ( 2.672 0.000 -11.589) 11.893 6.222 ( -2.466 0.000 3.611) 4.373 6.399 ( 0.202 0.000 -2.153) 2.163 6.680 ( 10.136 0.000 2.870) 10.535 6.811 ( -0.510 0.000 -5.562) 5.585 6.819 ( 2.396 0.000 9.902) 10.188 6.952 ( 3.945 0.000 14.168) 14.707 7.152 ( -5.357 0.000 3.158) 6.219 7.244 ( 2.806 0.000 -1.076) 3.005 7.297 ( 1.426 0.000 1.221) 1.877 7.346 ( 2.360 0.000 -3.503) 4.224 7.392 ( -3.506 0.000 6.662) 7.529 7.447 ( -6.805 0.000 -7.046) 9.796 7.641 ( -0.788 0.000 -3.447) 3.536 8.193 ( -3.241 0.000 2.706) 4.222 8.195 ( -5.026 0.000 -12.381) 13.362 8.590 ( -1.232 0.000 5.877) 6.005 8.630 ( -0.581 0.000 1.078) 1.224 8.639 ( 0.476 0.000 4.951) 4.974 8.723 ( 4.490 0.000 4.787) 6.563 8.792 ( 2.143 0.000 -5.727) 6.115 8.964 ( -1.446 0.000 -3.882) 4.142 9.082 ( 6.412 0.000 0.525) 6.433 9.170 ( 0.916 0.000 -1.804) 2.023 9.360 ( -4.137 0.000 -2.646) 4.911 ======================= Grid point 120 (54/116) ======================= q-point: ( 0.12 0.00 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 3.310 0.000 19.368) 19.649 1.288 ( 8.840 0.000 19.759) 21.647 1.935 ( 4.107 0.000 13.538) 14.147 1.960 ( -5.378 0.000 -9.076) 10.550 2.146 ( 2.920 0.000 -4.477) 5.346 2.308 ( 4.656 0.000 17.454) 18.064 2.383 ( 0.720 0.000 1.558) 1.716 2.426 ( -0.559 0.000 -2.834) 2.888 2.603 ( -4.773 0.000 -2.170) 5.243 2.822 ( 3.572 0.000 3.748) 5.178 2.952 ( -1.457 0.000 -0.037) 1.458 3.037 ( 5.891 0.000 -1.025) 5.979 3.051 ( -4.270 0.000 0.574) 4.308 3.235 ( 2.995 0.000 0.515) 3.039 3.321 ( 5.394 0.000 0.498) 5.417 3.351 ( -8.154 0.000 -0.677) 8.182 3.477 ( -1.591 0.000 0.185) 1.601 3.607 ( 1.315 0.000 -3.880) 4.097 3.732 ( -1.256 0.000 9.695) 9.776 3.768 ( -4.920 0.000 1.541) 5.156 4.132 ( 3.902 0.000 -9.167) 9.963 4.351 ( -4.482 0.000 -4.042) 6.036 4.358 ( -2.949 0.000 -5.232) 6.006 4.711 ( 0.255 0.000 -8.620) 8.623 6.206 ( -0.066 0.000 3.632) 3.632 6.408 ( 0.872 0.000 -1.012) 1.336 6.794 ( 1.888 0.000 -0.070) 1.889 6.799 ( 0.743 0.000 -6.067) 6.113 6.847 ( -3.995 0.000 10.278) 11.028 7.003 ( -2.642 0.000 8.239) 8.653 7.171 ( 5.845 0.000 11.417) 12.827 7.229 ( -1.967 0.000 -3.195) 3.752 7.268 ( -7.884 0.000 -6.079) 9.955 7.297 ( 0.433 0.000 2.214) 2.256 7.380 ( -0.356 0.000 -3.469) 3.487 7.431 ( 4.670 0.000 4.856) 6.738 7.679 ( 4.668 0.000 0.078) 4.669 8.023 ( -7.742 0.000 -13.122) 15.236 8.128 ( -3.944 0.000 7.057) 8.085 8.554 ( -2.716 0.000 8.614) 9.032 8.572 ( -3.442 0.000 -0.348) 3.459 8.716 ( 3.132 0.000 3.954) 5.044 8.807 ( 1.640 0.000 -6.661) 6.860 8.836 ( 3.182 0.000 -1.827) 3.669 8.934 ( -0.008 0.000 -2.372) 2.372 9.183 ( 1.301 0.000 -3.415) 3.654 9.217 ( 5.759 0.000 3.104) 6.542 9.272 ( -3.129 0.000 -5.240) 6.103 ======================= Grid point 121 (55/116) ======================= q-point: ( 0.25 0.00 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 10.905 0.000 11.793) 16.063 1.544 ( 11.754 0.000 12.584) 17.220 1.839 ( -4.371 0.000 -6.625) 7.937 2.025 ( 2.827 0.000 2.499) 3.773 2.138 ( -1.628 0.000 -4.745) 5.016 2.393 ( -0.899 0.000 1.548) 1.790 2.413 ( 0.922 0.000 -1.287) 1.583 2.497 ( -2.237 0.000 0.851) 2.394 2.569 ( 11.390 0.000 19.219) 22.341 2.814 ( -7.841 0.000 -0.128) 7.842 2.917 ( -2.000 0.000 0.713) 2.123 2.969 ( -1.480 0.000 5.460) 5.657 3.172 ( 7.996 0.000 -3.154) 8.595 3.211 ( -5.619 0.000 1.962) 5.951 3.296 ( 2.182 0.000 0.717) 2.296 3.417 ( -4.225 0.000 3.913) 5.758 3.428 ( 4.328 0.000 1.781) 4.680 3.607 ( -0.470 0.000 -5.853) 5.872 3.669 ( -4.638 0.000 0.800) 4.706 3.702 ( -3.334 0.000 6.309) 7.136 4.186 ( -10.582 0.000 -3.620) 11.184 4.195 ( 4.126 0.000 -13.762) 14.367 4.340 ( 2.997 0.000 -3.312) 4.466 4.680 ( -1.653 0.000 -5.198) 5.454 6.235 ( 1.943 0.000 3.909) 4.366 6.413 ( -0.989 0.000 1.741) 2.002 6.737 ( -7.247 0.000 11.077) 13.237 6.777 ( -3.516 0.000 2.929) 4.576 6.806 ( 1.688 0.000 -7.019) 7.219 7.024 ( 2.843 0.000 0.365) 2.867 7.129 ( -4.129 0.000 -2.579) 4.868 7.198 ( -0.458 0.000 -3.502) 3.532 7.278 ( 1.360 0.000 11.806) 11.884 7.328 ( -3.471 0.000 -2.644) 4.363 7.346 ( 2.654 0.000 3.606) 4.477 7.557 ( 6.641 0.000 2.362) 7.049 7.703 ( -4.701 0.000 -6.851) 8.309 7.932 ( 3.653 0.000 -5.695) 6.765 8.088 ( -2.304 0.000 9.531) 9.805 8.496 ( -3.992 0.000 -0.378) 4.009 8.517 ( -3.654 0.000 6.866) 7.777 8.757 ( 1.069 0.000 -1.587) 1.913 8.807 ( -3.324 0.000 -3.166) 4.590 8.840 ( 2.534 0.000 -2.841) 3.807 8.960 ( 1.051 0.000 2.983) 3.163 9.185 ( -0.142 0.000 -3.370) 3.373 9.235 ( 1.552 0.000 -9.611) 9.736 9.315 ( 3.349 0.000 1.275) 3.584 ======================= Grid point 122 (56/116) ======================= q-point: ( 0.38 0.00 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 12.588 0.000 5.715) 13.825 1.730 ( 0.738 0.000 -3.005) 3.094 1.805 ( 4.978 0.000 8.115) 9.520 2.021 ( -3.714 0.000 -2.436) 4.442 2.129 ( 2.790 0.000 2.618) 3.826 2.363 ( -1.972 0.000 -0.497) 2.034 2.435 ( -0.553 0.000 1.638) 1.729 2.440 ( -1.820 0.000 -1.074) 2.113 2.639 ( -4.924 0.000 -0.622) 4.963 2.853 ( 5.047 0.000 4.263) 6.606 2.902 ( 5.757 0.000 9.984) 11.525 2.942 ( -4.306 0.000 2.512) 4.986 3.152 ( -3.229 0.000 8.221) 8.833 3.281 ( -2.239 0.000 6.101) 6.499 3.290 ( 3.213 0.000 -5.038) 5.976 3.395 ( 0.717 0.000 1.156) 1.361 3.441 ( -4.346 0.000 4.970) 6.603 3.560 ( -2.691 0.000 -5.995) 6.571 3.650 ( 3.930 0.000 -1.985) 4.403 3.659 ( -1.558 0.000 1.446) 2.126 3.966 ( -9.311 0.000 -1.971) 9.517 4.212 ( 1.509 0.000 -11.559) 11.657 4.438 ( 6.606 0.000 -3.584) 7.516 4.623 ( -2.771 0.000 -3.611) 4.552 6.294 ( 2.696 0.000 4.553) 5.292 6.366 ( -4.628 0.000 6.547) 8.017 6.666 ( -2.822 0.000 9.496) 9.906 6.700 ( -4.209 0.000 0.681) 4.263 6.829 ( 2.496 0.000 -7.799) 8.188 7.084 ( -0.592 0.000 -1.111) 1.259 7.085 ( 3.005 0.000 -1.109) 3.203 7.216 ( 3.377 0.000 -1.089) 3.548 7.249 ( -3.603 0.000 -1.829) 4.041 7.292 ( -2.183 0.000 8.557) 8.831 7.388 ( 0.246 0.000 5.264) 5.269 7.557 ( -5.782 0.000 -9.746) 11.332 7.668 ( 3.537 0.000 -1.691) 3.920 8.032 ( 5.350 0.000 -3.193) 6.231 8.084 ( -0.744 0.000 10.355) 10.382 8.428 ( -2.409 0.000 0.303) 2.428 8.441 ( -5.261 0.000 5.854) 7.870 8.741 ( -2.382 0.000 -0.386) 2.413 8.771 ( 1.247 0.000 -2.935) 3.189 8.869 ( 0.853 0.000 -2.360) 2.510 8.981 ( 0.719 0.000 2.802) 2.893 9.160 ( -1.397 0.000 -4.309) 4.530 9.273 ( 4.193 0.000 -8.835) 9.780 9.352 ( 0.270 0.000 -0.215) 0.345 ======================= Grid point 123 (57/116) ======================= q-point: (-0.50 0.00 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -7.265 0.000 1.929) 7.517 1.687 ( -3.223 0.000 0.893) 3.344 1.900 ( 0.878 0.000 4.805) 4.884 1.992 ( 1.763 0.000 3.630) 4.036 2.253 ( 9.044 0.000 0.359) 9.051 2.327 ( -0.866 0.000 -0.234) 0.897 2.395 ( -0.768 0.000 -3.377) 3.463 2.427 ( 0.915 0.000 0.927) 1.302 2.682 ( 4.601 0.000 5.417) 7.108 2.824 ( -3.253 0.000 0.738) 3.336 2.837 ( -5.078 0.000 2.861) 5.829 3.057 ( -2.205 0.000 4.332) 4.860 3.070 ( -5.236 0.000 6.796) 8.580 3.271 ( -11.108 0.000 -4.449) 11.966 3.320 ( 5.263 0.000 6.089) 8.049 3.326 ( 2.841 0.000 8.835) 9.281 3.401 ( -0.005 0.000 -0.365) 0.365 3.507 ( -2.877 0.000 -1.735) 3.359 3.655 ( 0.980 0.000 -1.211) 1.558 3.751 ( 4.712 0.000 -3.872) 6.098 3.895 ( 3.936 0.000 -1.648) 4.267 4.205 ( 0.455 0.000 -9.105) 9.117 4.551 ( 5.377 0.000 -2.682) 6.009 4.561 ( -2.202 0.000 -4.701) 5.191 6.288 ( -4.873 0.000 9.682) 10.839 6.353 ( 1.768 0.000 5.418) 5.699 6.607 ( -4.798 0.000 4.077) 6.296 6.670 ( 0.084 0.000 2.921) 2.922 6.861 ( 2.858 0.000 -8.290) 8.769 7.060 ( -2.261 0.000 -3.427) 4.105 7.123 ( 0.633 0.000 1.194) 1.351 7.212 ( 1.179 0.000 0.049) 1.180 7.245 ( -4.237 0.000 4.398) 6.107 7.328 ( 7.461 0.000 2.327) 7.816 7.393 ( -0.486 0.000 4.522) 4.548 7.457 ( -1.816 0.000 -8.108) 8.309 7.665 ( -2.694 0.000 -4.942) 5.629 8.091 ( 1.648 0.000 -3.506) 3.875 8.112 ( 0.910 0.000 10.576) 10.615 8.364 ( -4.040 0.000 6.735) 7.854 8.425 ( 2.128 0.000 0.082) 2.130 8.718 ( -0.067 0.000 1.029) 1.031 8.790 ( 0.787 0.000 -1.015) 1.284 8.858 ( -0.884 0.000 -4.737) 4.819 9.010 ( 1.622 0.000 1.636) 2.303 9.112 ( -2.267 0.000 -4.826) 5.332 9.329 ( -2.214 0.000 -1.635) 2.752 9.339 ( 4.317 0.000 -6.232) 7.581 ======================= Grid point 124 (58/116) ======================= q-point: (-0.38 0.00 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -16.250 0.000 3.057) 16.535 1.604 ( -6.741 0.000 5.395) 8.634 1.903 ( 0.932 0.000 -0.726) 1.182 2.027 ( 0.051 0.000 6.462) 6.462 2.320 ( -0.297 0.000 -0.739) 0.796 2.356 ( 1.029 0.000 -5.835) 5.925 2.421 ( 3.389 0.000 -1.421) 3.675 2.522 ( 2.834 0.000 11.879) 12.212 2.634 ( -6.858 0.000 2.249) 7.218 2.724 ( -6.108 0.000 3.276) 6.931 2.898 ( -8.770 0.000 4.628) 9.916 2.903 ( 4.948 0.000 9.412) 10.633 3.050 ( 3.928 0.000 1.376) 4.162 3.084 ( -6.220 0.000 -4.563) 7.715 3.343 ( -2.593 0.000 4.510) 5.202 3.413 ( -5.175 0.000 -0.543) 5.204 3.442 ( 3.275 0.000 2.662) 4.220 3.527 ( 10.941 0.000 1.014) 10.988 3.677 ( 1.293 0.000 -1.496) 1.978 3.795 ( 2.052 0.000 -5.853) 6.202 4.040 ( 8.167 0.000 -1.430) 8.291 4.185 ( -0.284 0.000 -6.951) 6.957 4.525 ( 0.749 0.000 -8.714) 8.746 4.624 ( 2.449 0.000 -1.792) 3.034 6.240 ( -2.539 0.000 12.242) 12.503 6.379 ( -0.903 0.000 5.667) 5.738 6.526 ( -3.940 0.000 0.758) 4.013 6.685 ( 0.396 0.000 4.409) 4.427 6.902 ( 3.684 0.000 -7.304) 8.180 6.986 ( -3.501 0.000 -5.173) 6.246 7.103 ( -5.327 0.000 9.570) 10.953 7.167 ( -1.910 0.000 -3.977) 4.412 7.284 ( 4.924 0.000 -0.480) 4.947 7.401 ( 0.304 0.000 1.624) 1.652 7.437 ( 2.003 0.000 -5.999) 6.325 7.499 ( 7.830 0.000 4.431) 8.997 7.573 ( -4.692 0.000 -2.391) 5.266 8.113 ( 2.367 0.000 -2.893) 3.738 8.172 ( 2.258 0.000 10.230) 10.477 8.316 ( -2.425 0.000 6.566) 6.999 8.493 ( 4.441 0.000 -1.242) 4.611 8.737 ( 1.242 0.000 1.840) 2.220 8.761 ( -3.791 0.000 -1.047) 3.933 8.842 ( 0.739 0.000 -4.392) 4.453 9.044 ( 1.249 0.000 0.335) 1.293 9.048 ( -2.872 0.000 -4.889) 5.670 9.267 ( -3.198 0.000 -2.900) 4.317 9.402 ( 3.317 0.000 -4.530) 5.615 ======================= Grid point 125 (59/116) ======================= q-point: (-0.25 0.00 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -15.417 0.000 8.634) 17.670 1.431 ( -12.824 0.000 13.082) 18.319 1.979 ( 7.288 0.000 -6.505) 9.769 2.035 ( -1.202 0.000 10.142) 10.213 2.306 ( -10.272 0.000 9.866) 14.243 2.311 ( -0.281 0.000 -0.639) 0.698 2.361 ( -9.778 0.000 4.970) 10.968 2.466 ( -0.440 0.000 2.411) 2.450 2.557 ( 0.704 0.000 -2.643) 2.735 2.764 ( 0.729 0.000 2.199) 2.316 2.827 ( 2.625 0.000 0.787) 2.740 2.972 ( 1.946 0.000 5.017) 5.381 2.990 ( -2.919 0.000 -0.462) 2.955 3.213 ( 8.273 0.000 2.763) 8.722 3.295 ( -1.920 0.000 3.121) 3.665 3.305 ( -4.875 0.000 -1.859) 5.217 3.500 ( 1.887 0.000 2.187) 2.889 3.689 ( -0.040 0.000 -0.470) 0.472 3.710 ( 5.991 0.000 0.635) 6.025 3.804 ( 0.335 0.000 -7.657) 7.665 4.162 ( -0.491 0.000 -4.780) 4.805 4.162 ( 5.338 0.000 -2.052) 5.719 4.565 ( 5.877 0.000 -12.374) 13.698 4.632 ( -1.338 0.000 -1.768) 2.217 6.270 ( 2.550 0.000 15.078) 15.292 6.346 ( -3.568 0.000 4.804) 5.984 6.460 ( -2.708 0.000 -1.457) 3.075 6.709 ( 0.872 0.000 5.578) 5.645 6.907 ( -2.842 0.000 -5.030) 5.778 6.985 ( 6.242 0.000 -4.968) 7.978 6.987 ( -6.987 0.000 8.571) 11.058 7.164 ( 1.401 0.000 -1.763) 2.252 7.350 ( 1.806 0.000 -3.863) 4.264 7.390 ( -2.164 0.000 -2.622) 3.399 7.490 ( 3.832 0.000 -3.034) 4.888 7.495 ( -3.233 0.000 4.906) 5.876 7.641 ( 5.088 0.000 2.029) 5.477 8.181 ( 4.929 0.000 -3.832) 6.243 8.225 ( 0.217 0.000 5.584) 5.588 8.335 ( 3.466 0.000 8.872) 9.525 8.578 ( 4.081 0.000 -1.044) 4.213 8.675 ( -3.459 0.000 -1.308) 3.698 8.761 ( 0.202 0.000 2.878) 2.885 8.827 ( -2.311 0.000 -1.558) 2.787 8.988 ( -1.177 0.000 -5.148) 5.281 9.049 ( -0.812 0.000 -1.526) 1.729 9.203 ( -2.205 0.000 -3.461) 4.104 9.439 ( 1.312 0.000 -3.695) 3.921 ======================= Grid point 126 (60/116) ======================= q-point: (-0.12 0.00 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -3.563 0.000 18.712) 19.049 1.220 ( -11.372 0.000 20.555) 23.491 2.005 ( -12.388 0.000 34.589) 36.741 2.074 ( -4.767 0.000 4.908) 6.842 2.091 ( 4.120 0.000 -8.757) 9.678 2.291 ( -1.061 0.000 -7.583) 7.656 2.318 ( 1.497 0.000 0.384) 1.545 2.447 ( -0.680 0.000 -0.226) 0.716 2.615 ( 4.721 0.000 -1.808) 5.055 2.738 ( -1.280 0.000 -3.030) 3.289 2.908 ( 2.619 0.000 2.011) 3.301 2.961 ( -0.346 0.000 2.495) 2.519 3.029 ( 2.952 0.000 1.387) 3.262 3.221 ( -2.631 0.000 2.587) 3.690 3.231 ( -1.850 0.000 -1.506) 2.385 3.400 ( 6.053 0.000 0.693) 6.092 3.533 ( 0.885 0.000 0.787) 1.184 3.676 ( -1.095 0.000 3.159) 3.343 3.691 ( -4.934 0.000 -5.185) 7.157 3.826 ( 1.757 0.000 1.636) 2.401 4.139 ( -0.829 0.000 -3.149) 3.257 4.276 ( 6.884 0.000 -4.691) 8.330 4.566 ( -4.525 0.000 -2.755) 5.297 4.657 ( 5.872 0.000 -12.676) 13.970 6.278 ( -4.035 0.000 3.937) 5.637 6.415 ( -1.253 0.000 -2.042) 2.396 6.432 ( 10.089 0.000 13.664) 16.985 6.752 ( 1.864 0.000 7.245) 7.481 6.848 ( -1.793 0.000 -5.416) 5.705 6.911 ( -2.589 0.000 9.504) 9.850 7.120 ( 7.953 0.000 -1.645) 8.122 7.196 ( 1.279 0.000 1.071) 1.668 7.311 ( -4.016 0.000 -1.939) 4.460 7.349 ( -0.341 0.000 -3.854) 3.869 7.455 ( -3.356 0.000 7.075) 7.830 7.527 ( 0.173 0.000 -4.657) 4.660 7.684 ( -0.738 0.000 -3.302) 3.383 8.225 ( -0.877 0.000 2.172) 2.342 8.247 ( 2.277 0.000 -7.882) 8.205 8.475 ( 7.686 0.000 6.918) 10.341 8.602 ( -0.239 0.000 0.536) 0.587 8.675 ( 0.195 0.000 4.199) 4.204 8.741 ( -3.534 0.000 5.491) 6.530 8.765 ( -0.667 0.000 -4.193) 4.245 8.992 ( 2.683 0.000 -3.039) 4.054 9.009 ( -2.192 0.000 -3.114) 3.808 9.169 ( -0.400 0.000 -2.885) 2.913 9.427 ( -1.717 0.000 -2.996) 3.453 ======================= Grid point 127 (61/116) ======================= q-point: ( 0.00 0.14 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 3.596 12.797 18.807) 23.030 1.251 ( -1.101 9.669 19.806) 22.068 2.014 ( -3.927 9.168 13.612) 16.875 2.022 ( -1.300 1.564 -1.404) 2.471 2.167 ( 0.400 3.679 7.978) 8.795 2.259 ( -0.236 -0.323 -4.325) 4.343 2.395 ( 0.861 4.093 -0.150) 4.186 2.451 ( -0.110 1.341 0.554) 1.456 2.634 ( 2.965 -4.850 -0.897) 5.754 2.719 ( -0.261 -0.576 -1.973) 2.071 2.884 ( -0.557 -6.316 -0.928) 6.408 2.962 ( 2.429 0.108 1.694) 2.963 2.987 ( 1.210 -6.002 0.507) 6.144 3.204 ( 1.554 -0.819 1.828) 2.535 3.264 ( 0.499 1.318 -2.448) 2.825 3.483 ( 0.319 0.912 0.559) 1.116 3.514 ( -3.295 1.509 -3.027) 4.722 3.610 ( -1.945 0.481 -1.375) 2.430 3.740 ( 2.098 3.542 8.655) 9.584 3.835 ( -1.375 0.508 1.707) 2.250 4.100 ( -0.556 -1.697 -3.232) 3.693 4.341 ( 0.333 -3.306 -4.183) 5.342 4.436 ( -2.596 -1.730 -3.162) 4.442 4.675 ( 2.584 -2.999 -9.416) 10.214 6.239 ( -2.581 2.227 5.771) 6.703 6.443 ( 0.716 3.755 -2.074) 4.349 6.750 ( 2.147 -2.998 5.096) 6.290 6.761 ( 2.774 2.441 2.201) 4.301 6.874 ( 5.485 5.407 -0.259) 7.707 6.974 ( 3.998 1.904 12.334) 13.105 7.139 ( -0.316 -1.779 2.072) 2.749 7.240 ( 0.045 0.892 0.774) 1.182 7.306 ( -0.820 0.897 -0.311) 1.255 7.351 ( -0.015 2.103 0.840) 2.265 7.450 ( -2.352 1.159 -3.928) 4.723 7.493 ( -4.398 6.230 -1.930) 7.866 7.649 ( -1.172 1.359 -3.328) 3.781 8.172 ( -4.657 -0.991 -8.631) 9.857 8.205 ( -2.895 -0.393 -1.903) 3.486 8.501 ( 2.309 -8.289 5.539) 10.234 8.539 ( -1.712 -4.761 5.797) 7.695 8.611 ( -3.052 -2.270 0.798) 3.886 8.782 ( 2.459 -0.074 -3.115) 3.969 8.799 ( 3.719 2.644 2.358) 5.136 8.955 ( -0.167 -0.665 -4.090) 4.147 9.071 ( 5.996 -0.963 0.830) 6.129 9.208 ( 0.080 3.202 -3.579) 4.803 9.374 ( -3.481 1.093 -3.141) 4.815 ======================= Grid point 128 (62/116) ======================= q-point: ( 0.12 0.14 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 2.076 11.522 16.369) 20.125 1.365 ( 7.101 7.533 16.863) 19.787 1.967 ( -3.146 1.532 -8.271) 8.981 2.024 ( 1.557 6.489 6.331) 9.199 2.203 ( 0.324 4.335 -5.358) 6.899 2.282 ( 2.700 -1.685 12.097) 12.509 2.407 ( 0.643 1.562 -0.237) 1.706 2.469 ( 2.284 4.498 6.207) 7.999 2.617 ( -2.762 1.329 -3.001) 4.289 2.765 ( 3.244 -5.095 3.551) 7.006 2.857 ( -1.560 -7.901 -1.349) 8.166 2.994 ( -1.026 -4.235 1.550) 4.625 3.040 ( 4.851 0.100 0.111) 4.854 3.236 ( 1.334 -0.635 0.592) 1.591 3.259 ( -2.483 -3.948 -1.781) 4.992 3.409 ( -2.869 3.562 1.208) 4.730 3.484 ( -2.280 0.464 0.965) 2.519 3.596 ( 0.606 -1.178 -2.893) 3.181 3.738 ( -4.145 0.551 5.125) 6.614 3.826 ( -0.435 5.530 5.102) 7.537 4.118 ( 4.147 -1.207 -8.023) 9.112 4.296 ( -2.595 -3.593 -3.854) 5.873 4.389 ( -2.627 0.983 -3.591) 4.556 4.684 ( 0.511 -2.629 -7.114) 7.602 6.217 ( -0.954 1.782 4.942) 5.339 6.460 ( 1.078 4.372 -0.782) 4.571 6.747 ( -2.007 -3.746 3.499) 5.505 6.801 ( 0.497 0.549 1.246) 1.449 6.968 ( 3.508 6.362 0.472) 7.281 7.048 ( -3.747 5.564 5.495) 8.672 7.130 ( 0.854 -1.950 7.128) 7.439 7.238 ( 0.081 -0.123 0.661) 0.677 7.305 ( -4.491 1.500 -1.428) 4.945 7.325 ( 0.867 2.971 -3.716) 4.836 7.377 ( 0.164 2.463 2.391) 3.437 7.469 ( 1.206 2.471 -0.125) 2.752 7.683 ( 4.735 0.828 0.143) 4.809 8.005 ( -8.049 -1.180 -11.906) 14.420 8.144 ( -3.389 0.736 4.209) 5.454 8.495 ( -3.400 -5.637 6.193) 9.038 8.538 ( -1.137 -3.434 2.545) 4.423 8.621 ( 3.360 -6.320 2.309) 7.521 8.797 ( 1.424 -0.835 -6.612) 6.815 8.864 ( 0.180 0.640 -0.900) 1.119 8.945 ( 1.067 1.080 -0.524) 1.607 9.191 ( 5.042 -1.688 -0.549) 5.345 9.208 ( 0.347 1.844 -2.183) 2.878 9.298 ( -2.238 1.892 -4.693) 5.533 ======================= Grid point 129 (63/116) ======================= q-point: ( 0.25 0.14 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 8.430 7.322 10.195) 15.120 1.579 ( 9.945 3.982 12.157) 16.203 1.876 ( -3.571 3.747 -6.896) 8.622 2.070 ( 1.520 3.622 0.777) 4.004 2.164 ( -2.422 2.187 -3.233) 4.594 2.336 ( 0.362 -3.479 4.957) 6.066 2.407 ( -0.005 -0.495 -1.826) 1.892 2.518 ( -2.480 1.974 -1.334) 3.439 2.637 ( 3.148 1.128 10.300) 10.830 2.779 ( 0.256 -0.056 0.295) 0.394 2.869 ( 2.509 -7.401 4.806) 9.174 2.954 ( -2.779 0.067 3.331) 4.339 3.119 ( -2.892 -5.539 -2.825) 6.858 3.153 ( -0.215 -3.234 1.246) 3.473 3.262 ( 0.870 -2.002 -0.767) 2.314 3.413 ( -2.701 -0.357 4.140) 4.956 3.447 ( 2.114 1.649 3.233) 4.201 3.604 ( 1.332 -0.267 -3.987) 4.212 3.666 ( -3.104 0.695 0.769) 3.272 3.810 ( -2.542 8.157 5.154) 9.978 4.163 ( -1.598 -0.356 -7.737) 7.909 4.245 ( -0.110 2.371 -6.452) 6.874 4.338 ( 0.782 -0.010 -2.486) 2.606 4.660 ( -1.401 -2.034 -4.364) 5.015 6.230 ( 0.957 0.527 5.054) 5.171 6.463 ( -1.306 3.887 1.658) 4.423 6.705 ( -2.825 -1.824 5.385) 6.348 6.797 ( -0.545 1.829 -0.995) 2.152 6.949 ( -5.057 10.759 2.579) 12.165 7.035 ( 2.618 1.442 -1.317) 3.266 7.110 ( -3.112 -1.656 1.579) 3.863 7.201 ( -0.732 0.983 -0.830) 1.480 7.262 ( -1.276 -1.316 -0.137) 1.838 7.370 ( -0.501 4.179 5.702) 7.087 7.402 ( 2.471 4.149 1.523) 5.064 7.530 ( 4.682 -1.859 0.876) 5.113 7.732 ( -3.621 2.427 -5.958) 7.382 7.896 ( 3.428 -2.553 -4.336) 6.089 8.108 ( -1.549 0.934 6.576) 6.820 8.423 ( -4.732 -5.251 2.959) 7.663 8.516 ( -2.652 -1.656 4.186) 5.224 8.680 ( 1.870 -6.413 0.622) 6.709 8.801 ( -1.933 -0.565 -4.602) 5.024 8.832 ( 1.311 -0.526 -4.183) 4.415 8.981 ( 0.911 0.948 3.750) 3.973 9.189 ( -1.563 -0.227 -2.462) 2.925 9.229 ( 1.702 -0.089 -9.235) 9.391 9.314 ( 2.841 -0.145 -0.587) 2.905 ======================= Grid point 130 (64/116) ======================= q-point: ( 0.38 0.14 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 10.998 3.538 4.195) 12.291 1.778 ( 6.169 2.213 5.503) 8.558 1.813 ( -0.291 3.086 0.035) 3.100 2.039 ( -4.119 1.596 -2.759) 5.208 2.145 ( 1.156 1.545 2.668) 3.293 2.332 ( -1.729 -3.028 2.419) 4.244 2.416 ( 0.857 -0.898 0.511) 1.342 2.461 ( -2.414 1.456 -1.860) 3.377 2.556 ( -5.675 -5.287 0.685) 7.786 2.856 ( -0.152 -0.549 0.937) 1.096 2.905 ( -1.870 -3.737 2.136) 4.693 2.971 ( -1.078 -4.688 6.280) 7.911 3.014 ( 0.767 -2.090 5.500) 5.933 3.189 ( 2.552 -8.170 -3.286) 9.168 3.256 ( -1.444 -0.761 3.437) 3.805 3.379 ( -0.709 -0.364 0.729) 1.080 3.524 ( 3.404 3.914 5.007) 7.210 3.609 ( -1.276 3.269 -4.455) 5.671 3.670 ( 4.801 2.552 -1.540) 5.651 3.763 ( -2.952 8.734 3.066) 9.716 4.017 ( -8.852 5.191 -0.592) 10.279 4.243 ( 1.017 2.525 -9.217) 9.610 4.417 ( 5.871 -2.137 -2.413) 6.698 4.612 ( -2.206 -1.162 -3.404) 4.219 6.272 ( 1.408 -0.510 6.272) 6.448 6.418 ( -3.337 3.519 4.741) 6.782 6.682 ( -0.884 1.082 4.093) 4.325 6.765 ( -3.207 5.064 0.336) 6.004 6.878 ( -1.501 5.421 -1.775) 5.898 7.058 ( -0.258 -1.700 -2.849) 3.328 7.098 ( 1.829 0.940 2.190) 3.004 7.204 ( -2.032 -2.811 -1.926) 3.967 7.239 ( 2.619 2.036 1.454) 3.622 7.355 ( -2.653 4.245 7.338) 8.883 7.430 ( 0.129 3.638 1.869) 4.092 7.557 ( -3.717 0.098 -7.282) 8.176 7.671 ( 2.448 0.811 -3.146) 4.068 8.003 ( 4.817 -1.216 0.813) 5.034 8.120 ( 1.259 1.430 5.237) 5.573 8.340 ( -4.074 -6.108 3.233) 8.022 8.448 ( -4.752 -1.116 3.927) 6.265 8.698 ( 0.045 -4.240 -1.553) 4.515 8.766 ( 0.461 -0.294 -0.954) 1.100 8.859 ( 1.500 -0.693 -4.285) 4.593 8.988 ( -0.878 0.248 3.339) 3.461 9.151 ( -1.691 -1.374 -3.597) 4.205 9.252 ( 3.078 -1.290 -8.481) 9.114 9.350 ( 1.112 -0.407 -1.708) 2.078 ======================= Grid point 131 (65/116) ======================= q-point: (-0.50 0.14 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -5.339 2.934 2.007) 6.414 1.771 ( -4.436 5.746 0.520) 7.278 1.884 ( -0.216 -0.872 4.283) 4.376 2.033 ( 3.618 3.059 3.003) 5.609 2.218 ( 7.116 -3.777 0.625) 8.080 2.306 ( -0.693 -2.292 2.089) 3.178 2.394 ( -0.945 -0.173 -3.739) 3.861 2.436 ( -0.101 0.729 -0.239) 0.773 2.546 ( 1.207 -8.968 5.272) 10.472 2.784 ( -4.702 -4.680 2.474) 7.080 2.839 ( -2.384 1.245 0.288) 2.705 2.942 ( -1.302 -9.489 2.252) 9.839 3.030 ( -2.722 -2.792 1.816) 4.301 3.195 ( -4.919 -1.877 5.224) 7.417 3.314 ( 5.448 -3.371 -2.266) 6.795 3.393 ( 2.437 0.534 -1.050) 2.707 3.560 ( -0.329 4.164 0.463) 4.203 3.580 ( -1.107 13.093 4.247) 13.809 3.709 ( -1.673 7.022 0.445) 7.233 3.757 ( 1.033 1.630 -1.473) 2.428 3.936 ( 3.858 4.091 -0.488) 5.644 4.231 ( -0.279 1.924 -6.928) 7.195 4.513 ( 3.486 -2.973 -1.418) 4.796 4.570 ( -0.229 0.007 -4.804) 4.809 6.288 ( -2.187 0.522 9.309) 9.577 6.399 ( 0.611 3.893 5.096) 6.441 6.676 ( -2.661 2.572 6.040) 7.083 6.681 ( -3.188 4.110 -2.790) 5.903 6.875 ( 1.292 1.566 -3.621) 4.152 7.035 ( -1.755 -1.183 -2.959) 3.638 7.134 ( 0.799 0.848 2.274) 2.555 7.165 ( -0.677 -3.624 0.247) 3.695 7.296 ( -2.540 2.520 0.586) 3.625 7.357 ( 6.034 3.205 7.302) 10.000 7.434 ( 0.332 2.833 0.077) 2.854 7.476 ( -1.594 2.527 -6.229) 6.908 7.683 ( -1.334 2.167 -4.301) 4.997 8.069 ( 2.259 -0.553 2.664) 3.536 8.151 ( -0.255 2.196 2.940) 3.678 8.306 ( -0.447 -6.141 4.310) 7.516 8.392 ( -0.776 -2.359 3.905) 4.628 8.692 ( 0.167 -2.516 -1.222) 2.802 8.797 ( 1.784 0.221 0.125) 1.802 8.858 ( -0.185 0.115 -5.209) 5.213 8.976 ( -0.837 -2.569 1.986) 3.353 9.098 ( -2.734 -1.806 -4.235) 5.355 9.291 ( 1.715 -1.903 -4.392) 5.084 9.362 ( 1.610 0.434 -4.327) 4.637 ======================= Grid point 132 (66/116) ======================= q-point: (-0.38 0.14 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -14.815 4.478 3.650) 15.902 1.677 ( -6.759 6.489 5.024) 10.632 1.882 ( 1.073 -1.174 0.107) 1.594 2.064 ( -0.455 2.564 6.238) 6.760 2.295 ( -1.571 -2.654 1.851) 3.597 2.329 ( 1.982 -3.628 -3.737) 5.573 2.397 ( -0.700 -1.949 -0.457) 2.121 2.437 ( -0.455 -5.389 2.233) 5.851 2.596 ( 6.768 -1.147 2.366) 7.261 2.768 ( -4.725 2.086 2.883) 5.915 2.822 ( 1.733 -5.925 3.664) 7.178 2.946 ( 3.265 -6.919 -0.930) 7.707 2.976 ( -1.174 1.971 3.369) 4.076 3.088 ( -5.443 1.526 1.658) 5.891 3.314 ( -4.193 -3.704 1.153) 5.712 3.391 ( -2.975 1.922 0.678) 3.606 3.564 ( 0.794 6.240 0.463) 6.308 3.625 ( 3.532 6.386 1.087) 7.378 3.700 ( 0.973 4.860 2.710) 5.649 3.778 ( 2.794 -1.240 -3.987) 5.024 4.081 ( 8.368 4.012 -2.218) 9.541 4.195 ( -1.676 0.494 -5.093) 5.385 4.522 ( 0.700 -0.169 -7.085) 7.121 4.598 ( 1.837 -2.549 -1.277) 3.391 6.265 ( -2.115 2.387 11.764) 12.188 6.437 ( 1.214 5.222 5.238) 7.495 6.581 ( -4.737 4.883 -0.744) 6.844 6.665 ( -0.896 -2.033 2.092) 3.052 6.898 ( 1.405 -0.325 -1.844) 2.341 6.983 ( -1.684 0.959 -4.559) 4.953 7.111 ( -5.840 -1.014 9.931) 11.565 7.162 ( 0.965 0.341 -4.351) 4.470 7.284 ( 2.625 0.095 -1.895) 3.239 7.449 ( 1.890 1.644 -2.785) 3.746 7.459 ( 0.491 3.833 -2.291) 4.493 7.511 ( 5.505 2.457 6.182) 8.635 7.623 ( -1.997 4.275 -2.563) 5.369 8.117 ( 2.654 0.587 -2.717) 3.844 8.161 ( 0.978 -1.134 8.442) 8.574 8.305 ( -0.644 -1.111 5.770) 5.911 8.445 ( 4.311 -4.465 1.099) 6.303 8.697 ( 0.079 -2.583 -0.763) 2.695 8.787 ( -2.467 1.113 -1.611) 3.150 8.858 ( 1.067 1.370 -2.893) 3.374 8.962 ( -1.271 -6.604 -0.097) 6.726 9.030 ( -2.502 -1.674 -4.252) 5.210 9.284 ( -0.850 0.842 -3.007) 3.236 9.402 ( 3.059 -0.228 -4.797) 5.694 ======================= Grid point 133 (67/116) ======================= q-point: (-0.25 0.14 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -12.967 8.008 9.108) 17.755 1.506 ( -12.189 6.790 12.856) 18.972 1.945 ( 4.192 -1.326 -1.123) 4.538 2.090 ( 2.227 3.238 5.257) 6.563 2.249 ( -4.281 -2.181 5.374) 7.209 2.320 ( -0.767 -2.392 -6.505) 6.974 2.350 ( -1.984 0.466 0.032) 2.038 2.468 ( 1.890 -2.539 0.695) 3.241 2.633 ( -7.844 7.253 7.396) 12.993 2.754 ( 5.749 -2.418 2.230) 6.624 2.785 ( -2.465 -1.661 -1.151) 3.188 2.945 ( -0.574 -2.899 0.443) 2.988 3.014 ( -2.504 0.967 2.943) 3.983 3.167 ( 10.735 -3.944 1.234) 11.504 3.226 ( -2.272 -1.018 3.727) 4.481 3.329 ( -3.024 0.113 -0.302) 3.041 3.574 ( -0.231 5.408 1.024) 5.509 3.663 ( 1.089 -1.166 -2.309) 2.806 3.737 ( 0.942 0.515 0.383) 1.140 3.826 ( 1.660 2.804 -1.826) 3.735 4.150 ( -1.252 -1.367 -4.175) 4.568 4.210 ( 5.377 4.187 -2.490) 7.256 4.543 ( 3.241 -1.817 -9.654) 10.345 4.603 ( -0.776 -2.637 -1.115) 2.966 6.273 ( -0.666 1.699 12.680) 12.810 6.475 ( 2.013 9.621 5.451) 11.239 6.498 ( -3.143 3.546 -2.335) 5.282 6.666 ( 0.346 -3.932 4.064) 5.665 6.888 ( -1.714 -1.485 -2.470) 3.353 6.974 ( -1.339 1.451 2.714) 3.356 7.022 ( -1.214 0.841 3.047) 3.386 7.179 ( 1.625 1.434 -2.146) 3.050 7.336 ( 2.093 -1.171 -2.766) 3.661 7.444 ( -1.878 4.782 -4.428) 6.782 7.485 ( 1.552 -0.136 -2.468) 2.919 7.534 ( -0.705 3.573 5.728) 6.788 7.676 ( 4.063 3.113 0.594) 5.152 8.177 ( 4.053 -0.500 -3.678) 5.496 8.207 ( 1.079 -1.479 4.949) 5.277 8.342 ( 3.209 0.597 6.712) 7.463 8.531 ( 3.362 -4.787 1.135) 5.958 8.669 ( -1.671 -0.222 -1.120) 2.024 8.753 ( -0.685 -0.354 0.584) 0.967 8.828 ( -4.410 -1.917 -0.276) 4.816 8.936 ( 0.471 -4.470 -4.351) 6.256 8.996 ( -0.369 -1.678 -2.984) 3.443 9.257 ( -1.011 3.050 -3.543) 4.783 9.438 ( 1.456 -0.274 -3.961) 4.229 ======================= Grid point 134 (68/116) ======================= q-point: (-0.12 0.14 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -1.637 12.065 16.848) 20.787 1.316 ( -9.914 8.773 18.346) 22.624 2.001 ( 1.434 -1.169 3.299) 3.782 2.132 ( -7.615 7.044 16.099) 19.152 2.156 ( -0.190 2.625 -0.846) 2.764 2.283 ( -0.880 -0.260 -6.100) 6.168 2.356 ( 2.838 3.281 -2.857) 5.194 2.470 ( -2.500 2.305 5.582) 6.536 2.573 ( 1.748 -2.772 -0.525) 3.319 2.742 ( -1.038 0.052 -3.005) 3.180 2.856 ( 3.534 -3.781 0.646) 5.216 2.941 ( -0.095 -1.109 1.683) 2.018 2.980 ( -1.287 -5.413 0.994) 5.652 3.179 ( 0.049 -1.104 1.808) 2.119 3.276 ( -1.507 1.382 -0.980) 2.268 3.404 ( 7.780 0.511 1.968) 8.041 3.565 ( -0.867 2.279 -0.443) 2.478 3.661 ( -1.363 -0.309 0.057) 1.398 3.709 ( -1.998 1.131 -1.601) 2.799 3.840 ( 0.187 1.264 2.707) 2.993 4.125 ( -0.809 -1.604 -2.675) 3.222 4.296 ( 4.381 1.664 -3.758) 6.007 4.518 ( -3.867 -4.635 -2.766) 6.640 4.630 ( 4.260 -2.094 -9.323) 10.462 6.274 ( -2.310 1.266 8.551) 8.947 6.450 ( -1.008 3.162 -2.683) 4.267 6.591 ( 8.464 11.637 7.331) 16.149 6.699 ( 1.694 -4.667 6.513) 8.189 6.849 ( -1.048 -0.077 -3.412) 3.570 6.932 ( -1.895 2.077 8.949) 9.380 7.086 ( 4.295 -1.763 0.447) 4.664 7.214 ( 2.031 0.984 0.188) 2.265 7.340 ( -1.091 0.763 -2.580) 2.904 7.378 ( -2.674 3.900 -2.011) 5.139 7.486 ( -1.220 1.653 1.075) 2.319 7.545 ( -0.106 2.920 -1.016) 3.093 7.703 ( -1.279 1.891 -3.520) 4.196 8.212 ( -0.073 -1.172 0.046) 1.175 8.240 ( 1.704 -0.940 -5.819) 6.136 8.435 ( 3.513 -2.770 4.705) 6.492 8.555 ( -0.521 -5.027 2.571) 5.670 8.674 ( -1.716 -0.569 4.458) 4.810 8.734 ( -0.121 -0.172 0.647) 0.680 8.757 ( 0.101 -1.287 -0.857) 1.549 8.952 ( 1.561 -2.400 -3.631) 4.624 8.995 ( 1.459 -0.721 -2.384) 2.887 9.227 ( -0.917 3.902 -3.972) 5.642 9.431 ( -1.294 0.185 -3.261) 3.513 ======================= Grid point 135 (69/116) ======================= q-point: ( 0.00 0.29 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 3.355 16.017 11.905) 20.236 1.504 ( -0.024 15.785 13.580) 20.822 2.041 ( 0.907 3.034 -4.294) 5.335 2.133 ( -1.405 -1.259 3.628) 4.089 2.231 ( -0.336 1.792 3.104) 3.600 2.268 ( 0.191 0.838 -2.367) 2.518 2.425 ( 2.086 -3.200 -5.516) 6.709 2.507 ( 5.088 -6.669 0.327) 8.395 2.587 ( -4.208 9.131 8.396) 13.099 2.709 ( -0.910 -0.139 -5.011) 5.095 2.748 ( -2.277 -4.815 -1.957) 5.674 2.901 ( 1.247 -2.427 -0.583) 2.791 2.999 ( 2.798 3.826 2.003) 5.146 3.164 ( 0.892 -2.381 0.476) 2.587 3.277 ( -1.087 1.628 -0.481) 2.015 3.508 ( 0.102 1.432 0.301) 1.467 3.542 ( -2.267 1.041 -1.635) 2.983 3.632 ( -3.228 1.637 -0.511) 3.655 3.818 ( 0.003 3.519 8.710) 9.394 3.852 ( 3.015 1.299 1.033) 3.441 4.048 ( -0.515 -3.397 -0.933) 3.560 4.223 ( -2.411 -8.380 -1.455) 8.841 4.413 ( -0.318 -0.081 -0.776) 0.843 4.602 ( 1.451 -4.295 -4.889) 6.667 6.307 ( -2.074 4.025 7.215) 8.518 6.529 ( 1.119 4.595 -1.579) 4.986 6.632 ( 1.115 -6.457 7.844) 10.221 6.793 ( 1.028 -0.968 1.967) 2.422 6.998 ( 3.665 5.286 1.111) 6.528 7.023 ( 3.179 2.717 11.348) 12.094 7.114 ( 1.854 0.841 -0.377) 2.070 7.251 ( 0.581 -0.345 0.049) 0.677 7.342 ( -0.463 1.230 1.904) 2.313 7.413 ( -0.336 2.267 -2.502) 3.393 7.459 ( -2.345 2.622 -0.971) 3.650 7.630 ( -3.977 5.586 -1.768) 7.081 7.724 ( 0.329 6.532 -5.956) 8.845 8.141 ( -4.435 -2.722 -11.328) 12.466 8.176 ( -1.476 -2.047 1.473) 2.922 8.363 ( -1.798 -5.220 3.087) 6.326 8.426 ( -0.093 -5.514 4.659) 7.220 8.539 ( -2.857 -4.627 -0.714) 5.485 8.776 ( 1.476 -0.037 -2.756) 3.127 8.828 ( 2.644 -0.033 2.715) 3.790 8.951 ( 1.634 0.552 -3.336) 3.755 9.046 ( 5.220 -1.448 1.137) 5.535 9.277 ( -0.473 3.343 -5.197) 6.198 9.390 ( -2.267 0.257 -4.035) 4.635 ======================= Grid point 136 (70/116) ======================= q-point: ( 0.12 0.29 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 0.296 16.214 10.256) 19.188 1.577 ( 4.580 13.303 11.428) 18.126 2.022 ( -1.017 3.716 -7.890) 8.780 2.125 ( 0.082 2.727 4.397) 5.175 2.231 ( -0.496 -1.456 0.081) 1.540 2.281 ( 0.739 0.845 0.647) 1.296 2.429 ( -0.708 -0.964 -4.702) 4.852 2.553 ( -0.315 0.289 5.785) 5.801 2.600 ( 3.024 -5.477 2.116) 6.605 2.665 ( -3.044 -2.209 -2.237) 4.377 2.728 ( 2.114 -1.229 -3.849) 4.560 2.912 ( -0.230 -3.585 0.405) 3.615 3.061 ( 2.934 1.021 -0.720) 3.188 3.158 ( -3.370 -4.473 -0.052) 5.601 3.257 ( 0.438 3.720 2.408) 4.453 3.469 ( -3.826 1.703 0.719) 4.249 3.496 ( -2.422 1.080 2.124) 3.397 3.582 ( -0.561 0.713 -0.850) 1.243 3.745 ( -4.993 -0.000 3.091) 5.873 3.954 ( 2.790 6.192 6.166) 9.173 4.092 ( 5.225 -1.371 -4.508) 7.036 4.204 ( 0.482 -5.678 -0.825) 5.758 4.400 ( -0.903 0.543 -1.650) 1.958 4.609 ( 0.344 -4.710 -3.699) 5.999 6.283 ( -1.831 4.457 5.868) 7.592 6.544 ( -0.162 2.324 -0.049) 2.330 6.662 ( 0.754 -2.777 6.295) 6.922 6.825 ( 1.200 0.989 2.053) 2.576 7.043 ( 1.102 2.281 1.893) 3.162 7.079 ( -0.528 -2.100 7.473) 7.781 7.150 ( 0.976 2.087 -2.500) 3.400 7.244 ( -1.002 0.121 1.184) 1.556 7.338 ( -1.674 1.869 1.631) 2.993 7.424 ( 2.476 6.058 -0.601) 6.572 7.445 ( 0.740 2.211 1.619) 2.839 7.546 ( -2.866 6.426 -0.385) 7.047 7.737 ( 2.727 4.906 -4.774) 7.369 7.985 ( -7.500 -0.937 -11.410) 13.687 8.136 ( -2.816 -1.466 2.104) 3.808 8.359 ( -0.527 -6.975 5.015) 8.607 8.446 ( 0.335 -5.152 3.974) 6.516 8.499 ( -0.416 -5.918 0.383) 5.945 8.783 ( 0.830 -0.387 -5.383) 5.460 8.851 ( -0.517 -1.578 -1.716) 2.388 8.976 ( 1.072 2.046 1.337) 2.669 9.145 ( 3.517 -2.634 1.365) 4.601 9.256 ( -0.138 2.526 -5.789) 6.318 9.330 ( -2.072 0.990 -5.160) 5.648 ======================= Grid point 137 (71/116) ======================= q-point: ( 0.25 0.29 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 2.437 12.013 7.062) 14.146 1.716 ( 6.089 9.373 8.289) 13.915 1.974 ( -1.837 5.264 -6.218) 8.352 2.143 ( 0.120 3.316 0.149) 3.321 2.200 ( -2.378 0.636 0.287) 2.478 2.287 ( -0.772 -1.383 2.772) 3.193 2.391 ( -1.326 -1.727 -2.103) 3.027 2.560 ( -1.988 -3.921 2.215) 4.923 2.576 ( -3.737 2.189 -4.499) 6.245 2.649 ( 1.263 -12.023 5.251) 13.180 2.810 ( 5.750 -0.461 -4.272) 7.178 2.898 ( -1.130 -6.393 0.852) 6.548 3.038 ( -6.363 -1.623 -0.680) 6.602 3.079 ( -1.845 -4.267 -0.915) 4.738 3.279 ( 0.134 3.612 1.341) 3.855 3.406 ( -2.815 -0.448 3.487) 4.503 3.496 ( 2.550 2.523 3.620) 5.096 3.615 ( 3.521 0.642 -3.663) 5.121 3.683 ( -0.816 3.476 4.145) 5.471 3.985 ( -0.910 8.434 5.420) 10.067 4.161 ( 1.887 -0.643 -4.231) 4.677 4.253 ( 4.753 -1.826 -1.550) 5.323 4.362 ( -2.539 2.538 -1.608) 3.934 4.596 ( -0.753 -4.239 -2.466) 4.961 6.273 ( -0.482 3.601 5.601) 6.676 6.512 ( -2.869 -0.364 2.238) 3.657 6.704 ( 1.633 2.656 4.469) 5.450 6.845 ( 0.821 2.817 -0.017) 2.934 7.040 ( -1.234 -0.697 -2.535) 2.904 7.064 ( -1.895 -0.197 4.558) 4.940 7.159 ( 0.004 3.174 2.006) 3.755 7.198 ( -3.647 -0.076 0.161) 3.651 7.287 ( -2.364 3.850 0.435) 4.539 7.448 ( -1.353 2.317 3.095) 4.096 7.514 ( 2.703 1.310 3.469) 4.589 7.529 ( 2.948 9.094 -1.385) 9.659 7.788 ( -2.981 3.011 -5.297) 6.783 7.850 ( 3.037 -2.361 -5.644) 6.830 8.098 ( -1.499 -1.488 3.645) 4.213 8.328 ( -3.551 -3.420 4.429) 6.627 8.449 ( -1.498 -4.472 4.438) 6.476 8.530 ( 2.662 -8.234 0.537) 8.670 8.788 ( 0.288 -0.598 -5.777) 5.816 8.820 ( -0.293 -0.722 -3.714) 3.795 8.994 ( -0.031 0.831 3.735) 3.826 9.156 ( -2.219 -2.786 -1.077) 3.721 9.245 ( 0.685 1.324 -8.040) 8.177 9.310 ( 1.254 -0.259 -3.762) 3.974 ======================= Grid point 138 (72/116) ======================= q-point: ( 0.38 0.29 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 8.761 5.084 3.441) 10.698 1.822 ( 2.283 4.302 4.791) 6.831 1.926 ( -1.687 5.919 -2.192) 6.533 2.079 ( -5.097 2.338 -3.164) 6.439 2.182 ( -0.875 1.676 2.298) 2.976 2.260 ( -2.517 -3.838 5.075) 6.843 2.392 ( 1.451 -2.448 1.847) 3.393 2.459 ( -4.965 -1.215 -1.580) 5.350 2.523 ( -3.020 2.749 -3.656) 5.481 2.686 ( 0.719 -12.730 4.060) 13.381 2.805 ( -5.111 -5.321 0.692) 7.410 2.887 ( -0.132 -3.199 -5.303) 6.194 3.008 ( -3.855 -4.738 -0.393) 6.121 3.023 ( 4.951 -3.726 -1.388) 6.350 3.295 ( 0.884 3.337 3.753) 5.099 3.374 ( -0.757 -0.067 1.264) 1.475 3.573 ( 3.421 0.813 0.580) 3.564 3.624 ( 0.163 -1.184 -1.142) 1.652 3.801 ( 9.279 10.159 1.884) 13.887 3.955 ( -3.238 9.344 4.264) 10.770 4.142 ( -3.850 5.516 0.355) 6.737 4.299 ( -1.204 3.302 -4.243) 5.509 4.352 ( 3.885 -4.319 0.706) 5.852 4.573 ( -0.728 -2.806 -2.857) 4.070 6.293 ( 0.715 2.545 6.652) 7.158 6.468 ( -1.857 0.643 3.577) 4.081 6.728 ( -0.499 3.963 3.067) 5.036 6.857 ( 0.320 4.278 -2.468) 4.950 6.985 ( -4.750 2.118 -0.341) 5.212 7.031 ( -1.273 -1.057 1.479) 2.219 7.133 ( -0.422 2.138 1.796) 2.824 7.156 ( -2.527 -0.403 -0.139) 2.563 7.292 ( 3.253 2.641 -0.601) 4.233 7.408 ( -3.629 0.324 6.130) 7.131 7.507 ( -1.563 3.426 0.303) 3.778 7.595 ( -0.089 5.088 -3.250) 6.039 7.724 ( 2.171 4.363 -3.218) 5.840 7.976 ( 6.889 -4.066 0.464) 8.013 8.097 ( 0.158 -1.501 4.318) 4.574 8.261 ( -4.085 -0.522 3.416) 5.351 8.399 ( -4.362 -3.477 4.152) 6.954 8.579 ( 2.002 -7.480 -0.725) 7.778 8.769 ( 0.507 0.621 -2.757) 2.871 8.842 ( 2.243 -1.051 -4.599) 5.223 8.986 ( -1.946 -0.258 3.290) 3.831 9.098 ( -2.653 -3.436 -2.013) 4.785 9.241 ( 1.374 0.204 -8.305) 8.420 9.331 ( 1.474 -1.468 -3.903) 4.422 ======================= Grid point 139 (73/116) ======================= q-point: (-0.50 0.29 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -5.540 5.926 2.355) 8.447 1.874 ( 0.082 1.246 1.837) 2.221 1.899 ( -2.205 5.015 -0.129) 5.480 2.051 ( 8.139 -3.678 -0.426) 8.942 2.135 ( -4.599 -0.627 6.809) 8.240 2.252 ( 0.331 -2.294 2.997) 3.788 2.366 ( -3.601 -3.287 -0.551) 4.906 2.425 ( -2.159 -1.117 -1.528) 2.872 2.477 ( 2.490 1.318 -1.639) 3.259 2.665 ( -1.611 -6.067 0.146) 6.278 2.762 ( 0.989 -7.241 -0.028) 7.308 2.876 ( -0.336 1.562 -1.209) 2.004 2.947 ( -2.041 -5.628 -1.002) 6.070 3.111 ( 3.559 -6.663 -2.429) 7.935 3.279 ( -3.077 2.318 4.309) 5.780 3.418 ( 3.752 1.154 -0.644) 3.978 3.600 ( 0.554 0.849 -2.230) 2.449 3.670 ( 3.600 -1.503 -0.317) 3.914 3.883 ( -4.611 9.057 3.645) 10.797 3.970 ( 1.040 14.546 2.618) 14.817 4.051 ( 0.821 6.795 2.235) 7.200 4.260 ( -2.222 0.986 -3.075) 3.920 4.435 ( 4.117 -4.686 0.956) 6.310 4.554 ( -0.402 -1.877 -4.170) 4.591 6.321 ( -0.246 2.755 8.671) 9.101 6.475 ( 1.641 2.355 4.471) 5.313 6.696 ( -3.079 2.313 0.535) 3.888 6.808 ( -5.046 5.574 -3.705) 8.382 6.908 ( -1.812 0.775 1.139) 2.276 7.032 ( 0.602 -1.164 0.706) 1.489 7.097 ( -3.139 -0.079 2.628) 4.094 7.156 ( 2.047 0.787 -1.846) 2.867 7.322 ( -2.944 0.484 0.624) 3.048 7.413 ( 4.462 0.113 4.197) 6.126 7.476 ( -0.223 3.452 0.876) 3.568 7.578 ( 0.265 6.174 -2.529) 6.677 7.771 ( 1.080 6.572 -2.072) 6.975 8.074 ( 1.895 0.060 3.457) 3.942 8.142 ( 3.939 -7.927 3.644) 9.572 8.193 ( -2.869 1.824 -0.021) 3.400 8.341 ( -1.831 -2.655 5.305) 6.208 8.603 ( 0.977 -6.687 -1.899) 7.019 8.800 ( 2.395 0.397 -1.272) 2.741 8.861 ( 0.790 -0.100 -4.545) 4.614 8.935 ( -3.678 -1.148 1.849) 4.274 9.041 ( -2.707 -3.389 -2.294) 4.907 9.262 ( 2.423 -0.810 -6.033) 6.551 9.349 ( 1.800 -1.597 -4.981) 5.532 ======================= Grid point 140 (74/116) ======================= q-point: (-0.38 0.29 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -11.558 8.102 4.338) 14.767 1.818 ( -6.601 5.804 4.564) 9.904 1.888 ( 2.148 2.659 0.009) 3.418 2.080 ( -1.352 -2.008 8.565) 8.901 2.227 ( 5.435 -3.247 -0.799) 6.381 2.244 ( -2.044 -1.995 -0.003) 2.857 2.332 ( 0.645 -5.507 0.743) 5.594 2.376 ( -0.694 -1.430 -4.794) 5.051 2.573 ( 7.097 -1.571 -1.522) 7.427 2.689 ( 2.925 -4.070 0.279) 5.020 2.788 ( 0.897 -4.721 -1.991) 5.202 2.856 ( -0.981 2.616 2.978) 4.083 2.936 ( 1.662 -5.543 -2.934) 6.488 3.148 ( 0.962 -1.432 1.116) 2.055 3.230 ( -2.504 1.007 0.355) 2.723 3.447 ( -1.690 2.222 0.965) 2.954 3.607 ( 0.948 0.251 -2.605) 2.784 3.720 ( 0.814 -2.758 -1.928) 3.462 3.790 ( -5.278 9.061 4.071) 11.248 3.902 ( -2.258 10.722 6.681) 12.833 4.184 ( 0.622 2.528 -2.083) 3.334 4.201 ( 3.203 3.620 -1.860) 5.179 4.507 ( 2.864 -2.432 -1.035) 3.897 4.529 ( -1.261 -3.619 -2.733) 4.707 6.329 ( -1.222 3.811 10.637) 11.365 6.536 ( 2.291 1.749 4.299) 5.176 6.634 ( -2.055 1.410 0.039) 2.492 6.688 ( -5.266 4.827 -3.285) 7.863 6.888 ( -1.099 -0.605 0.278) 1.285 7.038 ( -0.183 3.686 0.607) 3.740 7.059 ( -2.520 -2.785 6.806) 7.773 7.188 ( 1.672 1.336 -2.993) 3.680 7.282 ( -0.045 0.139 -0.112) 0.184 7.444 ( 0.922 -1.479 -4.004) 4.367 7.556 ( 3.024 4.577 3.345) 6.425 7.606 ( 3.256 5.629 2.979) 7.153 7.742 ( -2.294 7.887 -2.696) 8.645 8.122 ( 2.243 -1.331 5.759) 6.322 8.145 ( -0.365 0.793 -2.067) 2.244 8.249 ( 4.578 -5.430 3.247) 7.810 8.359 ( 2.035 -2.338 4.288) 5.291 8.617 ( 1.209 -6.092 -2.027) 6.534 8.802 ( -2.370 0.465 -2.915) 3.786 8.843 ( -3.856 -3.980 -0.296) 5.549 8.887 ( 1.069 1.424 -1.848) 2.566 8.988 ( -1.609 -2.299 -3.313) 4.342 9.290 ( 1.570 0.026 -4.274) 4.554 9.383 ( 2.820 -1.713 -5.023) 6.010 ======================= Grid point 141 (75/116) ======================= q-point: (-0.25 0.29 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -7.475 13.282 8.612) 17.505 1.673 ( -9.333 9.168 10.727) 16.918 1.948 ( 3.171 1.586 1.656) 3.913 2.131 ( 3.341 0.451 2.360) 4.115 2.208 ( -0.437 -3.827 -1.621) 4.179 2.275 ( 1.778 -0.503 -1.956) 2.691 2.333 ( -0.407 -2.755 -1.417) 3.125 2.387 ( 1.789 -4.896 -2.864) 5.948 2.699 ( 4.164 -1.959 -0.700) 4.654 2.730 ( 1.079 -2.614 -1.037) 3.012 2.756 ( -2.164 2.411 1.342) 3.507 2.887 ( 1.949 -1.644 0.561) 2.611 2.969 ( 0.029 -4.904 -1.401) 5.101 3.175 ( -2.380 -0.214 -1.325) 2.733 3.218 ( 6.847 3.978 3.415) 8.623 3.376 ( -4.176 4.511 3.549) 7.098 3.623 ( 0.957 -0.959 -2.056) 2.462 3.686 ( -3.098 2.547 1.762) 4.380 3.744 ( -0.141 1.955 -1.052) 2.224 3.901 ( -1.310 3.911 4.742) 6.284 4.112 ( -2.853 -1.655 -1.612) 3.670 4.303 ( 3.348 4.179 -2.097) 5.751 4.479 ( -2.904 -4.879 -2.107) 6.056 4.550 ( 1.833 -2.184 -1.914) 3.434 6.329 ( -1.619 3.416 10.916) 11.552 6.543 ( -0.866 -2.588 1.366) 3.052 6.593 ( -2.890 2.294 -1.475) 3.974 6.683 ( 4.494 7.149 4.259) 9.457 6.861 ( -1.249 -0.217 -1.010) 1.621 7.013 ( -3.342 1.339 8.078) 8.844 7.051 ( 0.965 2.735 2.189) 3.633 7.207 ( 1.123 0.892 -2.191) 2.618 7.314 ( 2.435 -0.627 -1.035) 2.720 7.453 ( 0.857 -2.051 -5.624) 6.047 7.576 ( -1.332 6.502 -0.957) 6.706 7.637 ( -0.692 6.362 6.098) 8.840 7.744 ( 2.461 3.527 -2.500) 4.975 8.155 ( 1.813 -1.818 -2.731) 3.749 8.182 ( 2.044 -0.862 3.233) 3.921 8.347 ( 4.452 -1.558 3.297) 5.755 8.415 ( 1.645 -4.379 3.134) 5.630 8.645 ( 2.294 -4.671 -2.265) 5.676 8.719 ( -5.114 -2.252 0.556) 5.615 8.763 ( -2.720 -0.864 -0.925) 3.000 8.908 ( 1.168 0.226 -3.015) 3.241 8.967 ( 0.259 -1.447 -3.876) 4.145 9.302 ( 0.767 1.703 -4.233) 4.627 9.421 ( 1.860 -1.514 -4.222) 4.855 ======================= Grid point 142 (76/116) ======================= q-point: (-0.12 0.29 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 1.284 17.118 12.165) 21.040 1.541 ( -6.564 12.931 13.305) 19.680 2.009 ( 2.403 1.969 1.997) 3.693 2.147 ( -0.582 -2.738 -0.765) 2.902 2.224 ( 0.607 1.041 1.289) 1.765 2.293 ( -0.995 0.543 -2.698) 2.926 2.370 ( 5.883 -3.145 -7.082) 9.729 2.418 ( 2.237 -6.186 1.191) 6.685 2.664 ( -4.974 7.099 6.907) 11.083 2.732 ( -0.151 -0.818 -4.040) 4.125 2.783 ( 0.868 -2.872 -2.193) 3.717 2.895 ( -1.485 -2.350 0.088) 2.781 2.950 ( 1.112 3.353 2.293) 4.211 3.152 ( 0.171 -1.065 -0.609) 1.239 3.287 ( -0.711 1.120 0.820) 1.560 3.439 ( 7.330 2.688 1.797) 8.012 3.598 ( -2.914 1.007 -0.621) 3.145 3.669 ( 0.500 1.034 0.362) 1.204 3.740 ( 0.405 1.818 -0.005) 1.863 3.869 ( -2.062 1.327 4.533) 5.153 4.075 ( -1.271 -2.955 -0.552) 3.264 4.298 ( -3.322 -4.002 -1.687) 5.468 4.426 ( -1.389 -1.868 -0.230) 2.339 4.579 ( 1.978 -3.033 -4.503) 5.779 6.322 ( -1.665 2.973 9.030) 9.652 6.528 ( -0.611 4.019 -1.612) 4.373 6.584 ( 1.271 -5.507 5.734) 8.052 6.771 ( 1.736 0.727 3.369) 3.859 6.876 ( 4.772 6.856 0.063) 8.354 6.988 ( -1.142 3.020 8.946) 9.511 7.083 ( 1.426 1.454 2.173) 2.978 7.227 ( 1.326 0.148 -0.398) 1.392 7.345 ( 0.588 0.000 0.017) 0.588 7.439 ( -0.771 -0.517 -5.556) 5.633 7.519 ( -3.307 4.919 -0.149) 5.929 7.656 ( 0.624 6.246 2.199) 6.651 7.755 ( -0.681 3.241 -5.354) 6.296 8.177 ( 0.943 -2.929 -4.482) 5.437 8.206 ( -0.232 -1.762 -0.204) 1.789 8.400 ( -1.117 -0.641 -0.152) 1.297 8.426 ( -0.150 -6.742 3.941) 7.811 8.608 ( -4.339 -5.761 -0.884) 7.266 8.721 ( 4.022 0.493 0.972) 4.167 8.763 ( 2.178 0.563 2.656) 3.481 8.926 ( 1.751 -0.445 -3.588) 4.017 8.976 ( 1.839 -1.150 -2.834) 3.569 9.297 ( -0.138 3.021 -4.785) 5.661 9.426 ( -0.319 -0.785 -3.727) 3.822 ======================= Grid point 143 (77/116) ======================= q-point: ( 0.00 0.43 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 1.538 13.370 7.660) 15.485 1.844 ( 2.940 14.654 6.145) 16.160 2.048 ( 1.471 -5.823 6.586) 8.914 2.132 ( 0.690 5.579 -3.903) 6.844 2.167 ( 1.413 -9.145 1.108) 9.320 2.253 ( 0.211 -4.919 -1.533) 5.157 2.322 ( 0.652 -1.743 -1.353) 2.301 2.367 ( 1.641 -5.179 2.251) 5.881 2.694 ( -2.390 1.992 -3.528) 4.704 2.714 ( -0.582 -0.181 -4.765) 4.804 2.748 ( -0.566 4.114 -5.502) 6.893 2.844 ( 0.771 -4.133 -4.319) 6.027 3.061 ( 0.536 2.107 -0.941) 2.369 3.115 ( -0.164 -2.919 -2.106) 3.603 3.438 ( -1.830 12.239 3.664) 12.906 3.536 ( 1.232 0.889 -1.160) 1.912 3.551 ( -3.595 0.691 0.172) 3.665 3.641 ( -1.808 -2.513 -0.486) 3.133 3.862 ( -3.419 2.315 3.431) 5.368 3.906 ( 6.389 2.714 6.792) 9.712 3.966 ( -0.255 -4.042 1.845) 4.451 4.036 ( -1.346 -8.514 4.859) 9.895 4.438 ( -0.699 2.542 0.253) 2.648 4.510 ( 0.007 -4.414 -0.989) 4.524 6.393 ( -0.860 4.635 7.412) 8.784 6.498 ( -0.026 -5.873 6.952) 9.101 6.636 ( 2.057 5.154 0.777) 5.603 6.734 ( 2.109 -4.322 1.386) 5.005 7.061 ( -0.016 1.327 10.617) 10.700 7.064 ( 0.495 1.371 6.116) 6.288 7.173 ( 2.262 3.277 -3.150) 5.077 7.225 ( 0.676 -2.057 -2.798) 3.538 7.360 ( 0.164 1.144 2.529) 2.780 7.394 ( 0.855 -1.943 -0.483) 2.177 7.590 ( -2.274 7.055 -0.803) 7.455 7.679 ( -2.236 -1.054 -2.381) 3.432 7.886 ( 0.963 8.758 -6.228) 10.790 8.051 ( -1.225 -6.758 -8.049) 10.581 8.156 ( -3.044 1.685 1.818) 3.926 8.247 ( -3.044 -6.250 2.142) 7.275 8.383 ( -1.590 1.253 -0.256) 2.040 8.444 ( -2.397 -4.320 -1.767) 5.247 8.785 ( 1.007 0.898 -1.558) 2.061 8.809 ( 1.224 -1.383 0.005) 1.847 8.976 ( 3.231 1.754 -0.691) 3.741 9.013 ( 4.322 -1.822 0.783) 4.755 9.337 ( -0.726 2.640 -5.353) 6.012 9.379 ( -1.277 -1.364 -4.827) 5.176 ======================= Grid point 144 (78/116) ======================= q-point: ( 0.12 0.43 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 2.653 12.593 5.015) 13.812 1.897 ( 0.158 13.939 5.425) 14.958 2.071 ( -0.159 -0.950 -1.028) 1.409 2.151 ( 1.448 2.322 2.102) 3.451 2.185 ( 0.420 -4.282 1.824) 4.673 2.262 ( 0.305 -5.670 -1.539) 5.883 2.322 ( -0.235 -3.753 -0.433) 3.785 2.382 ( -0.451 -8.101 4.221) 9.146 2.633 ( -2.672 4.283 -3.096) 5.922 2.704 ( 1.003 -2.291 -5.726) 6.249 2.718 ( -0.843 4.978 -6.477) 8.213 2.832 ( -1.256 -5.133 -3.177) 6.166 3.054 ( -1.104 -0.127 -0.971) 1.475 3.085 ( -2.734 -2.846 -1.525) 4.231 3.389 ( -2.105 6.257 0.581) 6.627 3.464 ( -4.156 -1.827 -1.146) 4.682 3.537 ( -2.317 3.090 2.510) 4.606 3.600 ( -2.288 -1.542 0.054) 2.760 3.800 ( -0.587 7.963 6.192) 10.105 3.997 ( 3.693 -7.937 1.893) 8.956 4.063 ( 5.113 2.427 4.961) 7.526 4.107 ( 5.286 -2.303 3.395) 6.691 4.429 ( -0.185 2.638 -0.672) 2.728 4.507 ( -0.075 -4.905 -1.044) 5.015 6.382 ( -1.877 5.240 5.987) 8.174 6.490 ( -2.076 -5.314 4.756) 7.428 6.707 ( 4.248 4.981 2.736) 7.095 6.802 ( 3.838 -3.575 2.453) 5.790 7.053 ( -2.184 0.917 3.333) 4.089 7.075 ( -1.342 -0.261 6.557) 6.698 7.188 ( -0.071 1.801 -3.336) 3.792 7.223 ( -0.183 -1.708 -1.771) 2.467 7.378 ( 0.264 2.484 5.068) 5.650 7.431 ( 1.944 -2.159 3.157) 4.290 7.566 ( 0.123 6.402 0.039) 6.403 7.640 ( -0.217 0.430 -2.750) 2.792 7.869 ( -1.289 7.084 -7.359) 10.295 7.964 ( -4.850 -1.697 -8.395) 9.842 8.116 ( -1.751 1.089 1.279) 2.426 8.217 ( 0.111 -7.248 2.904) 7.809 8.370 ( -0.332 -1.386 2.811) 3.152 8.397 ( -1.894 -3.680 0.833) 4.221 8.786 ( 0.288 0.784 -4.055) 4.140 8.814 ( -0.105 -1.826 -2.817) 3.359 9.026 ( 1.220 2.885 1.683) 3.556 9.087 ( 2.165 -3.073 1.650) 4.105 9.303 ( -1.027 2.032 -6.188) 6.594 9.332 ( -1.700 -0.729 -5.788) 6.077 ======================= Grid point 145 (79/116) ======================= q-point: ( 0.25 0.43 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -2.439 12.413 2.975) 12.995 1.915 ( 1.150 8.415 3.426) 9.158 2.053 ( -0.641 2.251 -4.705) 5.255 2.175 ( -0.394 -3.637 3.913) 5.357 2.194 ( -0.653 0.343 0.664) 0.992 2.223 ( -3.214 -6.358 -1.057) 7.202 2.324 ( 0.828 -0.397 2.838) 2.983 2.410 ( 1.782 -8.391 5.681) 10.289 2.573 ( -2.924 5.047 -1.849) 6.119 2.670 ( -1.972 4.501 -6.990) 8.545 2.717 ( 0.375 -6.784 -5.866) 8.976 2.785 ( -1.838 -5.003 -4.658) 7.078 3.013 ( -2.881 -0.934 0.677) 3.104 3.018 ( -2.786 -1.328 -1.097) 3.275 3.352 ( -1.672 2.944 0.383) 3.407 3.392 ( -2.731 -1.151 1.709) 3.421 3.527 ( 1.466 1.504 0.320) 2.125 3.577 ( 0.352 -3.106 -1.457) 3.449 3.875 ( 5.554 12.334 6.246) 14.899 4.087 ( 4.726 -7.459 1.262) 8.920 4.128 ( 0.505 5.306 4.924) 7.256 4.204 ( 2.945 -2.581 2.767) 4.795 4.423 ( -0.402 3.424 -1.264) 3.672 4.503 ( 0.001 -4.561 -1.346) 4.756 6.361 ( -1.383 4.813 5.128) 7.168 6.456 ( -2.154 -4.319 3.797) 6.141 6.795 ( 3.281 5.316 3.571) 7.195 6.877 ( 2.902 -1.386 2.618) 4.147 7.010 ( -2.312 0.420 0.285) 2.367 7.053 ( -1.489 -2.021 1.703) 3.033 7.174 ( -0.643 0.932 -2.516) 2.759 7.196 ( -1.892 -0.979 -1.663) 2.703 7.375 ( -2.174 4.182 6.202) 7.790 7.442 ( -2.096 -2.162 4.127) 5.108 7.594 ( 1.804 5.599 2.714) 6.478 7.685 ( 4.801 0.858 -0.500) 4.903 7.797 ( -3.271 0.942 -6.369) 7.222 7.839 ( -5.156 0.294 -7.733) 9.299 8.119 ( 1.810 4.983 2.742) 5.968 8.258 ( 1.775 -5.768 5.321) 8.046 8.365 ( -0.936 -2.729 2.051) 3.540 8.382 ( -0.157 -4.528 2.017) 4.959 8.784 ( 0.689 0.371 -4.842) 4.905 8.801 ( 0.115 -1.079 -3.950) 4.097 9.027 ( -1.428 2.531 2.065) 3.565 9.090 ( -2.075 -3.472 0.425) 4.067 9.274 ( -0.229 1.432 -7.083) 7.230 9.299 ( -0.040 -0.957 -5.820) 5.898 ======================= Grid point 146 (80/116) ======================= q-point: ( 0.38 0.43 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 0.805 6.308 1.727) 6.589 1.911 ( -2.102 1.413 1.684) 3.042 2.022 ( -1.472 4.555 -3.684) 6.041 2.117 ( -4.387 -1.304 -4.013) 6.087 2.172 ( -1.859 -2.433 6.073) 6.801 2.193 ( -0.728 -1.130 1.774) 2.226 2.356 ( 0.308 0.987 5.663) 5.756 2.438 ( -1.481 -5.716 3.778) 7.010 2.525 ( -0.760 3.323 -1.953) 3.929 2.619 ( -0.694 4.799 -5.921) 7.653 2.664 ( -3.472 -7.655 -2.783) 8.854 2.754 ( 0.123 -7.706 -8.197) 11.251 2.969 ( -1.630 0.671 0.295) 1.787 2.991 ( 0.429 -1.269 -0.645) 1.487 3.352 ( 0.778 2.053 2.421) 3.268 3.373 ( 0.680 -0.208 1.177) 1.375 3.574 ( 2.755 -0.040 -0.643) 2.829 3.590 ( 1.129 -1.637 -0.784) 2.138 4.024 ( 7.891 10.703 3.377) 13.719 4.115 ( -2.511 6.103 3.542) 7.490 4.179 ( 2.635 -2.171 0.941) 3.542 4.237 ( 1.169 -6.524 3.898) 7.689 4.395 ( -2.295 5.586 -0.854) 6.099 4.499 ( -0.125 -4.490 -1.831) 4.850 6.363 ( 0.195 4.025 5.815) 7.075 6.439 ( -0.372 -3.100 4.286) 5.303 6.833 ( -0.458 5.818 3.345) 6.727 6.924 ( 0.994 -0.152 1.815) 2.075 6.965 ( -2.236 -0.626 -1.045) 2.546 7.005 ( -4.626 -1.656 -1.229) 5.065 7.145 ( 0.201 1.283 -3.966) 4.173 7.179 ( 0.093 -0.826 -1.653) 1.850 7.345 ( -1.315 2.786 4.390) 5.364 7.390 ( -3.861 -1.585 5.963) 7.278 7.600 ( -1.984 6.562 1.841) 7.098 7.705 ( -3.065 2.202 -4.375) 5.778 7.796 ( 3.902 1.020 -1.723) 4.386 7.821 ( 5.801 -6.590 2.573) 9.148 8.173 ( 1.616 7.694 3.574) 8.637 8.278 ( -0.782 0.918 4.457) 4.618 8.326 ( -3.827 -2.986 2.136) 5.303 8.404 ( 1.821 -9.093 -0.805) 9.308 8.789 ( 1.417 1.291 -3.877) 4.325 8.817 ( 2.296 -1.410 -4.119) 4.922 8.990 ( -2.689 1.043 1.833) 3.417 9.031 ( -3.256 -2.911 -0.206) 4.372 9.258 ( 0.620 1.450 -7.408) 7.574 9.295 ( 0.958 -2.014 -5.921) 6.327 ======================= Grid point 147 (81/116) ======================= q-point: (-0.50 0.43 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -1.742 1.702 1.089) 2.668 1.896 ( 2.500 -1.011 2.048) 3.386 1.959 ( -4.177 3.577 -0.828) 5.561 2.019 ( -4.378 -0.455 -0.915) 4.496 2.154 ( 0.119 2.010 5.135) 5.515 2.211 ( 1.600 -2.590 1.634) 3.455 2.326 ( -4.288 0.813 3.545) 5.623 2.384 ( -3.794 -3.691 -0.060) 5.294 2.521 ( 1.461 4.336 -4.128) 6.163 2.623 ( 1.842 0.620 -2.562) 3.216 2.643 ( 2.237 -3.825 -2.328) 5.005 2.750 ( 1.404 -9.327 -6.018) 11.189 2.949 ( -0.544 2.990 -0.272) 3.051 3.013 ( 1.795 -3.480 -2.013) 4.403 3.354 ( -1.020 4.213 3.928) 5.850 3.418 ( 2.316 -1.585 0.756) 2.907 3.608 ( 1.264 0.375 -1.666) 2.124 3.629 ( 2.463 -1.824 -0.646) 3.132 4.048 ( -4.837 6.950 3.495) 9.160 4.139 ( -4.467 -0.848 3.147) 5.530 4.192 ( 7.017 7.720 1.447) 10.532 4.324 ( 1.984 -2.843 1.755) 3.886 4.335 ( -0.419 4.586 0.308) 4.615 4.481 ( -1.254 -5.669 -2.089) 6.171 6.392 ( 0.657 4.013 7.425) 8.465 6.465 ( 1.483 -2.793 5.607) 6.438 6.788 ( -4.293 5.985 -0.716) 7.400 6.873 ( -6.645 -0.228 -4.727) 8.158 6.911 ( -1.618 0.435 0.768) 1.843 6.952 ( 0.482 -4.290 2.017) 4.765 7.160 ( -1.301 3.005 0.966) 3.414 7.174 ( 1.883 0.951 -1.975) 2.890 7.330 ( -2.462 0.698 3.487) 4.325 7.368 ( 1.361 -2.975 1.190) 3.481 7.583 ( 0.776 6.007 2.752) 6.653 7.659 ( -0.603 0.281 -0.844) 1.074 7.891 ( 4.835 3.665 0.714) 6.109 7.960 ( 6.879 -5.607 4.778) 10.079 8.156 ( -3.770 5.343 2.390) 6.962 8.228 ( -4.565 0.219 -2.135) 5.045 8.304 ( 1.709 0.916 4.183) 4.611 8.433 ( 1.380 -9.383 -0.394) 9.492 8.818 ( 1.653 1.334 -3.052) 3.718 8.847 ( 1.014 -1.293 -3.785) 4.126 8.935 ( -2.864 1.138 0.905) 3.212 8.976 ( -2.222 -2.820 -0.392) 3.612 9.265 ( 2.052 1.209 -6.645) 7.059 9.306 ( 1.841 -2.450 -6.059) 6.790 ======================= Grid point 148 (82/116) ======================= q-point: (-0.38 0.43 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -6.444 8.758 4.275) 11.684 1.893 ( -2.095 2.151 1.849) 3.527 1.934 ( -0.426 -0.772 1.288) 1.561 1.995 ( 2.551 -5.279 3.643) 6.903 2.192 ( -0.359 0.664 1.441) 1.626 2.240 ( -0.089 -3.139 2.605) 4.080 2.261 ( 0.214 2.333 0.194) 2.350 2.319 ( -2.011 -3.539 -2.421) 4.736 2.577 ( 5.709 3.825 -5.363) 8.717 2.678 ( 3.374 1.615 -1.470) 4.018 2.691 ( 3.291 -4.591 -2.946) 6.371 2.773 ( 2.199 -8.361 -4.507) 9.749 2.945 ( 0.362 4.718 -0.463) 4.755 3.045 ( 2.105 -5.324 -2.653) 6.310 3.346 ( -0.500 6.602 3.454) 7.468 3.447 ( 0.320 -2.722 1.143) 2.970 3.618 ( 0.115 1.251 -2.022) 2.381 3.660 ( 0.816 -2.797 -1.626) 3.337 3.952 ( -5.652 6.622 3.976) 9.571 4.035 ( -6.142 -0.170 5.033) 7.942 4.235 ( -4.886 6.628 1.850) 8.440 4.321 ( 3.356 4.202 -0.765) 5.431 4.412 ( 0.842 -4.608 2.535) 5.326 4.460 ( 1.594 -4.399 -2.411) 5.264 6.412 ( -0.980 4.233 8.509) 9.554 6.494 ( -1.010 -3.752 5.342) 6.605 6.712 ( -2.142 3.636 -1.603) 4.514 6.746 ( -4.235 0.480 -3.705) 5.647 6.900 ( 0.145 2.472 1.188) 2.747 6.976 ( 1.145 -4.390 3.253) 5.582 7.134 ( -1.577 4.357 4.545) 6.490 7.195 ( 0.169 -1.270 0.258) 1.307 7.310 ( 0.270 3.013 -0.639) 3.092 7.388 ( 0.936 -3.911 -3.404) 5.269 7.641 ( 3.062 3.604 3.013) 5.607 7.677 ( 2.119 0.708 2.038) 3.024 7.932 ( -1.856 9.945 -1.582) 10.240 8.096 ( 4.207 -4.066 4.247) 7.229 8.122 ( -0.139 -2.493 1.916) 3.147 8.149 ( 0.481 -1.428 0.550) 1.604 8.362 ( 3.067 2.548 2.140) 4.525 8.467 ( 2.281 -7.507 -0.189) 7.848 8.806 ( -2.286 -0.160 -2.310) 3.254 8.806 ( -4.038 -0.250 -1.853) 4.450 8.914 ( 0.547 1.295 -2.239) 2.644 8.945 ( -0.495 -1.879 -2.818) 3.423 9.300 ( 2.739 1.210 -5.186) 5.988 9.339 ( 2.891 -2.415 -5.248) 6.460 ======================= Grid point 149 (83/116) ======================= q-point: (-0.25 0.43 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -2.315 13.403 6.045) 14.884 1.840 ( -3.349 5.022 6.056) 8.550 1.966 ( 1.547 -1.001 4.304) 4.682 2.065 ( 2.873 -8.024 5.255) 10.013 2.145 ( -1.379 2.162 -3.642) 4.454 2.254 ( 0.555 -6.237 -0.719) 6.303 2.285 ( 1.172 0.567 -1.054) 1.675 2.298 ( 0.293 -1.446 -1.727) 2.271 2.688 ( 5.236 1.932 -4.848) 7.392 2.721 ( 2.092 0.531 -3.391) 4.020 2.746 ( 2.130 -1.047 -2.288) 3.297 2.813 ( 2.583 -6.035 -4.343) 7.871 2.972 ( 2.732 4.854 -0.499) 5.592 3.085 ( 2.613 -5.807 -2.883) 6.990 3.362 ( 1.620 6.558 1.691) 6.964 3.439 ( -0.789 -0.168 0.580) 0.994 3.615 ( 0.526 1.290 -0.205) 1.408 3.667 ( 0.754 -2.862 -0.419) 2.989 3.853 ( -5.425 6.404 4.125) 9.352 3.939 ( -5.096 -1.384 5.222) 7.426 4.136 ( -5.346 5.290 2.250) 7.851 4.285 ( -5.959 -7.195 1.530) 9.466 4.438 ( 1.596 2.561 -0.021) 3.018 4.501 ( 1.491 -2.948 -0.735) 3.384 6.398 ( -2.160 3.321 7.825) 8.771 6.466 ( -1.839 -3.674 4.664) 6.216 6.660 ( -2.203 3.336 -2.073) 4.503 6.718 ( -0.138 -2.100 1.336) 2.493 6.932 ( 2.806 5.165 2.029) 6.218 7.005 ( 0.553 -2.035 5.450) 5.844 7.127 ( -0.381 4.211 4.900) 6.472 7.197 ( 0.161 -2.185 1.370) 2.584 7.329 ( 1.725 2.344 -2.561) 3.877 7.395 ( 0.795 -3.570 -4.696) 5.952 7.683 ( 0.388 3.770 0.633) 3.842 7.721 ( 0.580 0.447 3.294) 3.374 7.872 ( -1.514 9.904 -3.573) 10.637 8.066 ( -1.258 -7.782 -4.380) 9.018 8.190 ( 3.012 1.901 5.287) 6.375 8.255 ( 4.330 -4.548 5.123) 8.104 8.422 ( 2.141 2.841 -0.756) 3.637 8.512 ( 1.701 -6.192 -1.721) 6.649 8.724 ( -2.713 1.233 0.212) 2.988 8.748 ( -1.971 -1.000 -0.478) 2.261 8.917 ( 0.585 0.744 -3.825) 3.940 8.939 ( 0.620 -1.325 -4.267) 4.511 9.337 ( 2.090 1.927 -4.525) 5.344 9.380 ( 2.313 -2.281 -4.385) 5.457 ======================= Grid point 150 (84/116) ======================= q-point: (-0.12 0.43 0.29) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 2.132 14.592 7.416) 16.507 1.806 ( -1.415 11.717 7.422) 13.942 2.003 ( 0.988 -4.767 7.520) 8.958 2.122 ( 1.972 -6.864 1.341) 7.267 2.135 ( 0.901 0.184 -3.777) 3.888 2.259 ( 0.040 -6.119 -1.635) 6.334 2.303 ( 1.377 -0.709 -2.465) 2.911 2.320 ( 2.143 -1.459 0.412) 2.625 2.724 ( 0.444 0.896 -3.804) 3.933 2.734 ( 0.013 0.504 -3.684) 3.719 2.769 ( 0.352 1.425 -4.550) 4.781 2.834 ( 1.138 -3.859 -4.357) 5.930 3.033 ( 2.736 4.028 -0.526) 4.898 3.114 ( 0.901 -3.538 -2.574) 4.467 3.403 ( 2.324 7.924 1.172) 8.340 3.479 ( 4.791 0.201 -1.465) 5.014 3.622 ( -2.422 2.364 2.387) 4.142 3.679 ( -0.337 -1.397 0.641) 1.574 3.793 ( 0.403 4.258 3.241) 5.366 3.873 ( -1.826 -1.837 5.613) 6.182 4.040 ( -5.253 0.791 2.806) 6.007 4.143 ( -8.358 -8.626 3.133) 12.412 4.450 ( -0.324 2.617 0.335) 2.658 4.512 ( 0.153 -3.415 -0.895) 3.534 6.386 ( -0.838 3.474 7.474) 8.284 6.468 ( 0.478 -4.818 6.861) 8.398 6.627 ( -0.784 4.684 -0.831) 4.822 6.715 ( -0.208 -4.028 1.272) 4.229 7.007 ( 3.416 3.658 4.664) 6.841 7.030 ( 0.389 0.795 8.120) 8.168 7.142 ( 0.932 4.089 1.881) 4.597 7.210 ( 0.934 -2.113 -0.103) 2.312 7.352 ( 0.802 1.074 -0.617) 1.476 7.393 ( 0.213 -2.770 -3.907) 4.794 7.649 ( -3.102 5.946 -0.537) 6.728 7.718 ( -1.266 -0.656 0.861) 1.665 7.871 ( 1.720 8.692 -4.970) 10.159 8.058 ( 1.231 -8.576 -5.342) 10.178 8.212 ( -1.962 2.430 2.586) 4.055 8.295 ( -1.401 -5.482 2.803) 6.315 8.422 ( -1.314 2.276 -3.001) 3.989 8.494 ( -2.100 -4.915 -2.965) 6.112 8.741 ( 2.954 1.208 2.262) 3.912 8.762 ( 2.565 -0.658 2.450) 3.608 8.929 ( 1.868 0.682 -3.612) 4.123 8.950 ( 1.961 -1.320 -3.276) 4.040 9.352 ( 0.620 2.558 -4.722) 5.406 9.398 ( 0.530 -1.938 -4.245) 4.696 ======================= Grid point 175 (85/116) ======================= q-point: ( 0.00 0.00 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 3.703 0.000 18.338) 18.709 1.594 ( -1.995 0.000 17.400) 17.514 1.832 ( -1.914 0.000 -12.912) 13.053 1.936 ( -0.263 0.000 -12.225) 12.228 2.175 ( -4.352 0.000 6.589) 7.897 2.302 ( 3.052 0.000 -5.148) 5.985 2.463 ( -1.251 0.000 3.820) 4.020 2.556 ( 0.784 0.000 -0.665) 1.028 2.660 ( -5.817 0.000 11.905) 13.250 2.747 ( 7.971 0.000 0.903) 8.022 2.936 ( 0.347 0.000 3.529) 3.546 3.050 ( 0.929 0.000 -3.018) 3.158 3.068 ( 0.456 0.000 6.629) 6.645 3.217 ( -1.549 0.000 -0.327) 1.583 3.236 ( 2.852 0.000 0.041) 2.852 3.315 ( 0.005 0.000 -10.987) 10.987 3.509 ( -1.612 0.000 1.749) 2.379 3.556 ( -0.342 0.000 -2.470) 2.494 3.865 ( -1.545 0.000 1.099) 1.896 3.866 ( 2.329 0.000 2.834) 3.668 4.105 ( -2.465 0.000 6.488) 6.941 4.278 ( 1.924 0.000 -5.292) 5.631 4.381 ( -7.119 0.000 -1.723) 7.325 4.455 ( 6.415 0.000 -10.263) 12.103 6.294 ( -2.074 0.000 3.064) 3.700 6.351 ( 1.140 0.000 -2.373) 2.633 6.695 ( 3.982 0.000 0.156) 3.985 6.720 ( -1.604 0.000 -2.646) 3.094 7.032 ( 1.659 0.000 9.007) 9.159 7.184 ( 0.167 0.000 -4.938) 4.941 7.185 ( 2.802 0.000 5.443) 6.122 7.219 ( 0.476 0.000 3.689) 3.719 7.268 ( 2.148 0.000 -3.678) 4.259 7.313 ( -6.455 0.000 -5.292) 8.347 7.433 ( -0.798 0.000 10.268) 10.299 7.564 ( 0.029 0.000 10.611) 10.611 7.568 ( 3.425 0.000 -3.709) 5.048 7.882 ( -6.005 0.000 -16.430) 17.493 8.322 ( -1.389 0.000 9.114) 9.219 8.540 ( -0.024 0.000 -9.745) 9.745 8.675 ( 4.096 0.000 2.397) 4.746 8.707 ( -2.535 0.000 -1.189) 2.800 8.753 ( 2.828 0.000 5.362) 6.062 8.845 ( -4.616 0.000 1.763) 4.941 8.884 ( -0.459 0.000 0.784) 0.909 9.016 ( 4.157 0.000 -6.040) 7.332 9.201 ( 4.524 0.000 3.812) 5.916 9.288 ( -4.742 0.000 -3.954) 6.174 ======================= Grid point 176 (86/116) ======================= q-point: ( 0.12 0.00 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -1.741 0.000 16.649) 16.740 1.604 ( -0.996 0.000 1.387) 1.708 1.783 ( 0.949 0.000 0.784) 1.231 1.931 ( 2.541 0.000 -11.238) 11.522 2.134 ( -0.986 0.000 6.041) 6.121 2.330 ( 1.079 0.000 -4.706) 4.828 2.466 ( 0.551 0.000 5.125) 5.155 2.548 ( -2.509 0.000 -2.324) 3.420 2.654 ( 3.888 0.000 3.861) 5.479 2.883 ( 3.501 0.000 1.722) 3.902 2.954 ( 0.362 0.000 4.939) 4.952 3.046 ( -0.517 0.000 -2.134) 2.196 3.108 ( 1.859 0.000 7.620) 7.844 3.202 ( 0.261 0.000 -4.806) 4.813 3.297 ( 0.795 0.000 -6.012) 6.065 3.322 ( 5.643 0.000 -0.495) 5.665 3.488 ( -0.681 0.000 2.388) 2.483 3.545 ( -0.530 0.000 -2.043) 2.111 3.803 ( -4.672 0.000 1.422) 4.884 3.880 ( -0.839 0.000 -3.079) 3.191 4.051 ( -5.215 0.000 10.700) 11.903 4.236 ( -4.275 0.000 -7.006) 8.207 4.263 ( -3.173 0.000 -3.567) 4.774 4.550 ( 4.629 0.000 -5.047) 6.848 6.285 ( 0.325 0.000 3.627) 3.641 6.384 ( 2.502 0.000 -1.307) 2.823 6.688 ( -0.899 0.000 -4.198) 4.294 6.766 ( 3.511 0.000 -1.418) 3.787 7.010 ( -6.299 0.000 4.870) 7.962 7.133 ( -2.090 0.000 -6.220) 6.562 7.139 ( -3.968 0.000 6.173) 7.338 7.160 ( -5.372 0.000 -3.949) 6.668 7.314 ( 0.699 0.000 -2.454) 2.552 7.351 ( 4.270 0.000 3.792) 5.711 7.434 ( 3.561 0.000 8.150) 8.894 7.616 ( -2.431 0.000 -10.004) 10.295 7.648 ( 2.182 0.000 15.961) 16.110 7.750 ( 1.072 0.000 -8.468) 8.536 8.317 ( -1.770 0.000 10.588) 10.735 8.509 ( -0.899 0.000 -6.991) 7.049 8.652 ( -2.037 0.000 -4.695) 5.117 8.715 ( -2.415 0.000 5.461) 5.971 8.778 ( -1.116 0.000 -3.515) 3.688 8.825 ( 2.772 0.000 4.680) 5.439 8.910 ( 3.585 0.000 0.512) 3.622 9.066 ( 2.481 0.000 -6.893) 7.326 9.169 ( -5.936 0.000 -4.207) 7.276 9.293 ( 3.413 0.000 3.472) 4.868 ======================= Grid point 177 (87/116) ======================= q-point: ( 0.25 0.00 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 2.308 0.000 9.928) 10.192 1.580 ( 1.389 0.000 -9.384) 9.487 1.874 ( 5.095 0.000 10.232) 11.430 1.958 ( 2.229 0.000 -7.300) 7.632 2.151 ( 0.777 0.000 4.227) 4.297 2.325 ( -0.260 0.000 -4.465) 4.473 2.484 ( -3.278 0.000 -0.101) 3.279 2.514 ( 2.735 0.000 6.929) 7.449 2.770 ( 6.608 0.000 -4.714) 8.118 2.821 ( -9.198 0.000 0.596) 9.217 2.988 ( 2.462 0.000 6.390) 6.848 3.031 ( -1.907 0.000 0.139) 1.912 3.166 ( 1.929 0.000 4.247) 4.665 3.208 ( 2.534 0.000 -4.542) 5.201 3.324 ( 1.746 0.000 1.964) 2.628 3.436 ( 5.063 0.000 -1.597) 5.309 3.487 ( -0.615 0.000 3.509) 3.563 3.513 ( -1.688 0.000 -2.581) 3.084 3.706 ( -5.086 0.000 2.056) 5.486 3.850 ( -0.674 0.000 -6.737) 6.771 3.950 ( -6.222 0.000 5.951) 8.610 4.097 ( -7.744 0.000 -3.912) 8.676 4.265 ( 3.934 0.000 -3.072) 4.992 4.595 ( 0.751 0.000 -2.204) 2.328 6.324 ( 2.490 0.000 4.141) 4.832 6.434 ( 2.398 0.000 0.342) 2.422 6.664 ( -0.016 0.000 -6.265) 6.265 6.811 ( -1.375 0.000 1.489) 2.027 6.876 ( -4.514 0.000 0.158) 4.516 7.068 ( -4.296 0.000 7.190) 8.376 7.082 ( -1.965 0.000 -2.581) 3.244 7.106 ( 1.105 0.000 -4.977) 5.098 7.295 ( -1.909 0.000 -0.167) 1.916 7.401 ( 0.452 0.000 2.631) 2.669 7.460 ( -6.375 0.000 -13.433) 14.869 7.566 ( 5.390 0.000 6.261) 8.262 7.697 ( -1.281 0.000 14.504) 14.561 7.839 ( 6.037 0.000 -4.934) 7.797 8.307 ( -1.835 0.000 10.763) 10.918 8.467 ( -2.089 0.000 -3.159) 3.787 8.618 ( 0.551 0.000 -7.714) 7.733 8.639 ( -4.993 0.000 3.486) 6.089 8.763 ( -0.781 0.000 -0.116) 0.790 8.873 ( 0.901 0.000 2.784) 2.926 9.015 ( 6.552 0.000 -0.887) 6.612 9.057 ( -3.890 0.000 -3.483) 5.222 9.076 ( 0.326 0.000 -6.122) 6.131 9.343 ( 1.043 0.000 1.352) 1.707 ======================= Grid point 178 (88/116) ======================= q-point: ( 0.38 0.00 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 4.990 0.000 -5.472) 7.406 1.678 ( 6.798 0.000 2.080) 7.109 1.977 ( 1.650 0.000 -2.606) 3.085 1.987 ( 3.179 0.000 8.394) 8.976 2.178 ( 1.137 0.000 2.875) 3.091 2.303 ( -0.763 0.000 -4.264) 4.332 2.429 ( -1.968 0.000 -0.169) 1.976 2.531 ( -8.845 0.000 5.348) 10.336 2.685 ( 2.935 0.000 4.642) 5.492 2.845 ( 2.043 0.000 -3.077) 3.693 2.961 ( -4.701 0.000 0.042) 4.701 3.104 ( 6.805 0.000 4.571) 8.198 3.176 ( -1.826 0.000 -3.994) 4.392 3.264 ( 2.403 0.000 -1.377) 2.770 3.338 ( -0.917 0.000 2.137) 2.325 3.404 ( -4.344 0.000 -4.064) 5.949 3.489 ( -0.192 0.000 6.822) 6.824 3.558 ( 3.946 0.000 -1.255) 4.141 3.645 ( -1.054 0.000 2.870) 3.057 3.755 ( -7.561 0.000 6.245) 9.806 3.932 ( 4.111 0.000 -12.684) 13.334 3.938 ( -7.477 0.000 0.857) 7.526 4.371 ( 6.779 0.000 -2.174) 7.119 4.570 ( -2.735 0.000 -1.059) 2.933 6.397 ( 3.507 0.000 4.789) 5.936 6.470 ( 0.601 0.000 3.211) 3.267 6.657 ( 1.196 0.000 -8.176) 8.263 6.694 ( -6.760 0.000 0.720) 6.798 6.876 ( -0.205 0.000 5.420) 5.424 7.030 ( -0.477 0.000 1.877) 1.937 7.058 ( -0.660 0.000 -1.120) 1.300 7.123 ( 0.683 0.000 -7.598) 7.629 7.281 ( 2.207 0.000 3.379) 4.036 7.348 ( -1.970 0.000 -7.922) 8.164 7.377 ( -3.055 0.000 0.966) 3.204 7.632 ( -1.850 0.000 -1.829) 2.602 7.681 ( -1.938 0.000 16.448) 16.562 7.924 ( 4.023 0.000 -7.648) 8.641 8.303 ( -1.236 0.000 9.432) 9.513 8.420 ( -1.661 0.000 -1.436) 2.196 8.565 ( -3.564 0.000 5.651) 6.681 8.635 ( 2.957 0.000 -8.105) 8.628 8.746 ( -0.665 0.000 0.998) 1.199 8.869 ( -1.688 0.000 0.069) 1.689 9.008 ( -0.513 0.000 -1.697) 1.773 9.054 ( -1.005 0.000 -4.435) 4.547 9.144 ( 6.550 0.000 -1.028) 6.630 9.339 ( -1.515 0.000 -0.673) 1.658 ======================= Grid point 179 (89/116) ======================= q-point: (-0.50 0.00 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -5.942 0.000 0.294) 5.949 1.701 ( 1.600 0.000 0.284) 1.625 2.002 ( -3.878 0.000 4.729) 6.116 2.066 ( 6.256 0.000 0.842) 6.312 2.214 ( 2.005 0.000 -0.442) 2.054 2.277 ( -0.657 0.000 -4.242) 4.292 2.386 ( -2.603 0.000 2.249) 3.440 2.436 ( 4.441 0.000 -1.403) 4.657 2.849 ( 2.101 0.000 9.217) 9.453 2.850 ( -1.404 0.000 1.431) 2.005 2.866 ( 2.094 0.000 0.587) 2.175 3.064 ( -5.833 0.000 -9.446) 11.102 3.190 ( -1.991 0.000 5.085) 5.461 3.214 ( -6.764 0.000 5.136) 8.493 3.360 ( 2.263 0.000 -2.844) 3.635 3.362 ( 2.319 0.000 -2.176) 3.180 3.504 ( -0.426 0.000 6.757) 6.771 3.604 ( 0.299 0.000 1.449) 1.479 3.662 ( -2.345 0.000 2.477) 3.411 3.678 ( 2.155 0.000 1.200) 2.467 3.842 ( -0.264 0.000 -1.116) 1.147 3.987 ( 4.123 0.000 -10.895) 11.649 4.489 ( -4.953 0.000 -1.626) 5.213 4.495 ( 5.996 0.000 -1.947) 6.305 6.469 ( 1.940 0.000 4.929) 5.297 6.474 ( -1.271 0.000 7.419) 7.527 6.580 ( -4.784 0.000 -2.427) 5.364 6.675 ( 3.167 0.000 -8.626) 9.189 6.875 ( -1.668 0.000 11.468) 11.589 7.006 ( -4.262 0.000 -1.489) 4.514 7.050 ( 2.053 0.000 -2.857) 3.519 7.129 ( 3.072 0.000 -8.387) 8.932 7.310 ( -3.528 0.000 0.657) 3.589 7.324 ( 1.599 0.000 -1.683) 2.322 7.418 ( 8.317 0.000 4.063) 9.257 7.503 ( -8.155 0.000 -2.415) 8.505 7.705 ( -0.833 0.000 12.457) 12.485 7.959 ( 2.090 0.000 -9.361) 9.591 8.313 ( 0.273 0.000 7.286) 7.292 8.408 ( 1.013 0.000 -2.035) 2.273 8.516 ( -3.592 0.000 7.538) 8.350 8.680 ( 3.283 0.000 -7.619) 8.296 8.758 ( 1.493 0.000 2.822) 3.192 8.814 ( -3.264 0.000 -1.435) 3.566 9.014 ( 1.047 0.000 -1.052) 1.484 9.018 ( -1.686 0.000 -2.706) 3.188 9.259 ( 5.219 0.000 -0.811) 5.281 9.284 ( -3.673 0.000 -2.272) 4.319 ======================= Grid point 180 (90/116) ======================= q-point: (-0.38 0.00 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -11.478 0.000 4.794) 12.438 1.686 ( -2.100 0.000 1.637) 2.663 1.914 ( -4.705 0.000 2.275) 5.226 2.130 ( 0.226 0.000 -0.813) 0.844 2.229 ( -0.010 0.000 -1.575) 1.575 2.258 ( -0.189 0.000 -4.117) 4.122 2.423 ( 4.000 0.000 0.498) 4.031 2.616 ( 11.865 0.000 -1.922) 12.020 2.731 ( -7.887 0.000 6.330) 10.113 2.776 ( -5.461 0.000 -1.303) 5.615 2.976 ( -1.206 0.000 -2.091) 2.414 3.080 ( 6.302 0.000 2.621) 6.826 3.101 ( -7.518 0.000 10.900) 13.241 3.103 ( -1.028 0.000 6.797) 6.874 3.376 ( -0.049 0.000 -0.623) 0.625 3.394 ( -1.386 0.000 -1.713) 2.204 3.507 ( -0.546 0.000 2.804) 2.857 3.607 ( 1.504 0.000 2.801) 3.180 3.663 ( 1.476 0.000 0.424) 1.536 3.671 ( -1.084 0.000 -1.377) 1.752 3.961 ( 10.434 0.000 -6.489) 12.288 4.034 ( 3.102 0.000 -6.869) 7.537 4.378 ( -5.216 0.000 -3.734) 6.414 4.580 ( 2.850 0.000 -1.777) 3.359 6.468 ( -2.128 0.000 6.728) 7.056 6.478 ( -1.997 0.000 2.752) 3.400 6.493 ( -2.248 0.000 -0.797) 2.385 6.754 ( 6.789 0.000 -5.366) 8.654 6.880 ( -0.811 0.000 12.098) 12.125 6.913 ( -4.413 0.000 -1.752) 4.748 7.082 ( 1.648 0.000 -2.388) 2.901 7.179 ( 3.794 0.000 -8.197) 9.032 7.237 ( -4.564 0.000 3.681) 5.863 7.367 ( -3.565 0.000 -4.104) 5.436 7.383 ( 3.984 0.000 -0.134) 3.986 7.581 ( 6.081 0.000 3.079) 6.816 7.706 ( -2.128 0.000 11.642) 11.834 7.976 ( 2.693 0.000 -10.378) 10.722 8.347 ( 0.996 0.000 5.807) 5.891 8.447 ( 3.572 0.000 -3.796) 5.213 8.467 ( -2.589 0.000 7.442) 7.879 8.686 ( -1.475 0.000 -5.706) 5.894 8.778 ( 0.952 0.000 -1.710) 1.957 8.809 ( 2.328 0.000 4.610) 5.164 8.974 ( -2.361 0.000 -0.856) 2.512 9.028 ( 0.228 0.000 -1.177) 1.199 9.194 ( -4.318 0.000 -3.677) 5.672 9.340 ( 3.302 0.000 -1.194) 3.511 ======================= Grid point 181 (91/116) ======================= q-point: (-0.25 0.00 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -6.669 0.000 11.587) 13.369 1.666 ( -1.400 0.000 5.235) 5.419 1.845 ( -1.459 0.000 -2.558) 2.945 2.084 ( -3.143 0.000 -7.548) 8.176 2.230 ( -0.040 0.000 2.910) 2.910 2.248 ( 0.287 0.000 -4.395) 4.405 2.500 ( 3.350 0.000 -1.508) 3.674 2.604 ( -5.920 0.000 8.222) 10.131 2.652 ( -4.227 0.000 -3.693) 5.613 2.826 ( 6.478 0.000 1.273) 6.602 2.937 ( -7.894 0.000 18.408) 20.029 3.010 ( -0.575 0.000 1.915) 2.000 3.040 ( -1.294 0.000 0.751) 1.496 3.253 ( 4.331 0.000 -0.790) 4.402 3.305 ( -5.858 0.000 1.825) 6.136 3.368 ( -0.955 0.000 3.851) 3.968 3.501 ( 0.430 0.000 -0.985) 1.075 3.619 ( -0.703 0.000 -8.194) 8.224 3.711 ( 3.034 0.000 1.743) 3.499 3.728 ( 6.628 0.000 1.018) 6.706 4.076 ( 2.395 0.000 -2.403) 3.393 4.134 ( 6.951 0.000 -2.554) 7.406 4.299 ( 0.414 0.000 -10.066) 10.074 4.590 ( -1.490 0.000 -1.444) 2.075 6.402 ( -2.926 0.000 -2.950) 4.155 6.421 ( -3.988 0.000 1.915) 4.424 6.523 ( 2.428 0.000 7.794) 8.163 6.830 ( -3.536 0.000 -1.532) 3.854 6.903 ( 9.119 0.000 -2.878) 9.563 6.908 ( 0.704 0.000 11.400) 11.421 7.071 ( -2.149 0.000 0.532) 2.214 7.220 ( 2.365 0.000 7.531) 7.894 7.229 ( 3.140 0.000 -6.971) 7.646 7.324 ( -1.206 0.000 -2.378) 2.667 7.444 ( 1.778 0.000 -1.712) 2.468 7.641 ( -0.319 0.000 -1.887) 1.914 7.681 ( -3.360 0.000 9.703) 10.268 8.009 ( 2.884 0.000 -12.231) 12.567 8.351 ( -1.989 0.000 6.509) 6.806 8.488 ( 2.863 0.000 5.487) 6.188 8.509 ( 3.446 0.000 -6.815) 7.637 8.660 ( 0.856 0.000 -0.060) 0.858 8.796 ( 0.083 0.000 -1.603) 1.605 8.861 ( 1.466 0.000 5.067) 5.275 8.927 ( -1.757 0.000 1.052) 2.048 9.007 ( -2.177 0.000 -1.224) 2.497 9.119 ( -1.621 0.000 -4.172) 4.476 9.379 ( 0.950 0.000 -2.105) 2.310 ======================= Grid point 182 (92/116) ======================= q-point: (-0.12 0.00 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 2.560 0.000 17.006) 17.197 1.623 ( -5.055 0.000 16.470) 17.229 1.858 ( 2.879 0.000 -12.788) 13.108 1.998 ( -2.762 0.000 -10.583) 10.938 2.227 ( -1.734 0.000 4.245) 4.585 2.256 ( 2.182 0.000 -5.065) 5.515 2.494 ( -2.738 0.000 2.954) 4.028 2.577 ( -2.663 0.000 -0.881) 2.805 2.614 ( 4.607 0.000 2.284) 5.142 2.778 ( -10.021 0.000 20.392) 22.721 2.918 ( 1.466 0.000 0.355) 1.508 3.037 ( 0.738 0.000 -1.337) 1.528 3.040 ( 1.264 0.000 4.778) 4.942 3.224 ( -2.035 0.000 0.930) 2.238 3.259 ( -1.982 0.000 -0.550) 2.057 3.347 ( -0.982 0.000 -5.257) 5.348 3.520 ( 0.581 0.000 0.092) 0.588 3.580 ( -1.170 0.000 -5.265) 5.393 3.790 ( 3.981 0.000 4.148) 5.749 3.844 ( 3.826 0.000 0.091) 3.827 4.110 ( 0.732 0.000 2.244) 2.360 4.215 ( 3.699 0.000 -0.516) 3.735 4.359 ( 6.864 0.000 -14.715) 16.237 4.516 ( -5.602 0.000 -1.190) 5.727 6.347 ( -3.794 0.000 2.390) 4.484 6.356 ( -0.933 0.000 -2.996) 3.138 6.608 ( 4.205 0.000 4.161) 5.916 6.766 ( -2.529 0.000 -1.844) 3.130 6.965 ( 2.042 0.000 9.968) 10.175 7.073 ( 2.637 0.000 5.174) 5.807 7.081 ( 9.055 0.000 -2.312) 9.346 7.258 ( 1.028 0.000 -4.817) 4.926 7.276 ( -2.715 0.000 2.300) 3.558 7.334 ( 5.026 0.000 9.771) 10.988 7.432 ( -2.576 0.000 -4.125) 4.863 7.581 ( -3.151 0.000 -6.018) 6.792 7.620 ( -4.938 0.000 6.989) 8.558 7.996 ( -1.153 0.000 -15.009) 15.053 8.330 ( -1.759 0.000 7.596) 7.797 8.544 ( 2.255 0.000 -9.067) 9.344 8.578 ( 4.653 0.000 3.489) 5.816 8.699 ( 1.803 0.000 2.205) 2.848 8.759 ( -2.949 0.000 1.785) 3.447 8.885 ( -0.346 0.000 5.143) 5.154 8.938 ( -4.207 0.000 -1.324) 4.410 8.946 ( 3.447 0.000 -2.018) 3.995 9.122 ( 2.491 0.000 -0.477) 2.536 9.363 ( -1.900 0.000 -3.153) 3.681 ======================= Grid point 183 (93/116) ======================= q-point: ( 0.00 0.14 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 3.010 6.440 14.855) 16.468 1.654 ( -1.831 5.726 16.649) 17.701 1.832 ( -1.680 1.274 -9.781) 10.006 2.010 ( 0.056 5.844 -13.059) 14.307 2.189 ( -2.923 1.248 4.959) 5.890 2.298 ( 2.718 -0.576 -5.328) 6.009 2.430 ( -0.124 -2.321 6.863) 7.246 2.558 ( 0.313 -0.512 -4.537) 4.577 2.685 ( -2.833 1.073 7.636) 8.215 2.717 ( 3.002 -2.831 1.347) 4.340 2.873 ( -0.913 -5.615 3.271) 6.562 2.968 ( 1.706 -6.170 -2.745) 6.965 3.066 ( 1.269 0.410 7.961) 8.072 3.203 ( 1.053 -2.411 -3.362) 4.269 3.246 ( -0.889 2.041 2.734) 3.525 3.380 ( 1.038 4.773 -8.227) 9.568 3.520 ( -1.267 0.965 1.781) 2.389 3.565 ( -0.931 0.956 -2.363) 2.713 3.869 ( 2.281 0.916 2.169) 3.278 3.901 ( -1.063 2.413 1.036) 2.833 4.092 ( -1.821 -1.106 6.396) 6.742 4.251 ( -0.611 -2.573 -5.192) 5.827 4.386 ( -3.575 0.655 -0.615) 3.686 4.466 ( 4.552 0.993 -8.598) 9.779 6.332 ( -2.626 3.456 3.390) 5.508 6.394 ( 1.818 3.825 -2.567) 4.952 6.765 ( -0.273 5.088 -0.027) 5.095 6.775 ( 1.920 5.071 -0.868) 5.491 6.996 ( 2.310 -2.886 7.887) 8.711 7.112 ( 1.500 -3.793 -1.899) 4.499 7.199 ( 3.370 0.279 3.828) 5.107 7.262 ( -2.353 3.158 -1.664) 4.275 7.287 ( -2.322 0.359 -0.050) 2.350 7.318 ( -0.057 1.636 -3.040) 3.453 7.473 ( 1.574 3.243 8.212) 8.968 7.535 ( -3.462 0.180 2.350) 4.188 7.611 ( 3.397 1.752 2.566) 4.604 7.873 ( -5.824 -0.753 -15.816) 16.871 8.311 ( -1.350 -1.125 8.515) 8.694 8.509 ( -0.249 -3.094 -8.193) 8.761 8.604 ( 3.310 -5.955 4.246) 8.027 8.683 ( -1.438 -2.262 -2.994) 4.018 8.708 ( -1.764 -3.372 6.057) 7.153 8.835 ( -0.227 -2.070 -4.430) 4.895 8.918 ( 1.663 3.055 4.579) 5.751 9.033 ( 2.170 1.544 -4.862) 5.544 9.204 ( 3.769 0.269 3.277) 5.001 9.292 ( -4.209 0.284 -4.322) 6.040 ======================= Grid point 184 (94/116) ======================= q-point: ( 0.12 0.14 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -1.949 5.319 10.657) 12.069 1.680 ( 0.274 6.733 7.944) 10.417 1.788 ( 0.214 1.284 -1.709) 2.148 1.989 ( 1.180 5.138 -10.428) 11.685 2.165 ( -0.409 2.490 4.133) 4.842 2.323 ( 1.148 -0.864 -4.591) 4.811 2.450 ( 0.609 -1.197 6.275) 6.418 2.544 ( -2.157 -0.420 -2.663) 3.452 2.643 ( 1.943 -1.777 -1.597) 3.080 2.818 ( 0.110 -6.313 1.825) 6.573 2.873 ( 2.915 -5.245 4.706) 7.626 3.000 ( 1.493 -5.215 -1.808) 5.718 3.108 ( 0.923 -1.778 4.454) 4.884 3.188 ( -0.614 -0.373 -2.746) 2.839 3.275 ( 1.116 0.763 2.706) 3.025 3.407 ( 3.091 4.812 -4.283) 7.146 3.494 ( -1.176 0.526 1.554) 2.018 3.552 ( -0.208 1.000 -0.319) 1.070 3.781 ( -5.562 -0.616 -1.162) 5.715 3.946 ( 1.212 4.173 -2.269) 4.903 4.055 ( -3.878 1.295 10.710) 11.463 4.209 ( -2.187 -1.611 -4.226) 5.024 4.304 ( -3.063 2.708 -3.963) 5.694 4.548 ( 4.173 -0.283 -4.530) 6.165 6.308 ( -0.557 2.468 3.882) 4.633 6.435 ( 2.696 4.334 -1.645) 5.363 6.737 ( -1.262 4.572 -1.638) 5.017 6.823 ( 1.804 2.840 -0.989) 3.507 6.983 ( -4.259 -0.558 1.401) 4.518 7.092 ( -1.552 -2.055 -2.989) 3.945 7.168 ( -4.976 0.608 -1.412) 5.208 7.214 ( -2.542 5.312 -0.302) 5.896 7.278 ( 0.948 -1.667 1.442) 2.400 7.389 ( 3.167 1.944 2.987) 4.768 7.462 ( 2.083 2.326 1.997) 3.706 7.599 ( 2.435 0.213 8.432) 8.779 7.680 ( -2.003 1.960 -0.939) 2.956 7.733 ( 1.149 -1.593 -6.278) 6.578 8.302 ( -1.846 -1.569 9.572) 9.874 8.479 ( -1.020 -2.528 -5.233) 5.900 8.638 ( -1.602 -1.501 -5.365) 5.796 8.681 ( -1.277 -5.926 6.590) 8.954 8.691 ( 2.640 -4.249 2.701) 5.685 8.800 ( -1.620 -1.225 -3.815) 4.322 8.977 ( 3.136 3.867 1.967) 5.354 9.055 ( 1.496 -0.661 -7.117) 7.303 9.182 ( -5.211 1.051 -4.296) 6.835 9.285 ( 2.889 -0.729 3.308) 4.452 ======================= Grid point 185 (95/116) ======================= q-point: ( 0.25 0.14 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 1.222 3.962 2.754) 4.977 1.694 ( 1.501 8.451 -2.176) 8.854 1.853 ( 4.219 -0.822 8.465) 9.494 1.996 ( 1.241 3.287 -5.714) 6.708 2.181 ( 0.619 2.363 3.118) 3.961 2.323 ( -0.016 -0.316 -3.946) 3.958 2.480 ( -3.199 -0.468 -0.722) 3.313 2.493 ( 1.969 -1.756 7.406) 7.862 2.711 ( 1.376 -5.915 -6.585) 8.958 2.760 ( -2.116 -4.482 0.687) 5.004 2.944 ( 1.283 -4.247 2.211) 4.957 3.019 ( 1.381 -3.599 0.560) 3.895 3.093 ( -2.892 -7.924 -0.828) 8.476 3.192 ( 0.129 -0.348 2.657) 2.683 3.259 ( -1.772 -2.062 1.110) 2.937 3.461 ( 0.393 0.352 -0.625) 0.818 3.495 ( 2.523 0.650 0.338) 2.627 3.557 ( 0.870 3.458 2.013) 4.095 3.707 ( -1.868 2.000 0.358) 2.760 3.954 ( 2.038 4.909 -7.722) 9.375 3.978 ( -6.710 6.402 9.154) 13.031 4.144 ( -4.046 3.251 -3.481) 6.250 4.280 ( 2.338 1.576 -2.201) 3.577 4.588 ( 0.656 -0.748 -1.934) 2.175 6.332 ( 1.794 1.232 4.575) 5.066 6.482 ( 2.035 3.803 -0.127) 4.315 6.709 ( -0.925 4.246 -3.566) 5.621 6.799 ( -4.799 -2.074 0.996) 5.322 6.935 ( 1.093 5.442 -3.842) 6.751 7.052 ( -2.317 -0.167 -0.339) 2.348 7.099 ( -1.967 1.114 0.703) 2.367 7.152 ( -2.201 3.989 -0.634) 4.599 7.266 ( -1.444 -2.008 1.183) 2.741 7.444 ( 0.865 3.487 1.554) 3.914 7.469 ( -3.823 1.049 -10.078) 10.829 7.594 ( 2.930 2.057 1.477) 3.873 7.682 ( -1.193 -0.463 15.645) 15.697 7.835 ( 6.542 -0.575 -3.133) 7.277 8.292 ( -1.600 -1.900 9.435) 9.757 8.436 ( -2.633 -2.386 -1.483) 3.850 8.600 ( -0.975 -1.537 -5.538) 5.830 8.633 ( -3.324 -1.354 3.388) 4.936 8.738 ( 0.375 -2.589 -1.243) 2.896 8.799 ( 1.933 -5.113 1.678) 5.718 9.028 ( 1.021 -0.309 -8.776) 8.840 9.062 ( 1.784 0.059 1.112) 2.103 9.093 ( -2.252 2.126 -3.226) 4.472 9.327 ( 0.682 -1.586 1.338) 2.184 ======================= Grid point 186 (96/116) ======================= q-point: ( 0.38 0.14 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 5.976 3.493 -2.167) 7.253 1.756 ( 4.702 6.388 -0.767) 7.969 1.945 ( 3.023 -2.114 3.323) 4.965 2.005 ( 0.483 1.209 2.150) 2.513 2.198 ( 0.378 1.621 2.634) 3.116 2.306 ( -0.574 0.306 -3.680) 3.737 2.427 ( -1.797 -0.266 -0.847) 2.004 2.503 ( -7.894 -2.450 5.110) 9.718 2.622 ( 1.239 -5.034 5.543) 7.589 2.817 ( 3.578 -3.322 -5.763) 7.554 2.917 ( -3.860 -2.730 -0.162) 4.730 3.003 ( -5.082 -12.882 -1.835) 13.969 3.096 ( 5.951 -6.159 -1.750) 8.741 3.166 ( -3.861 -6.987 3.995) 8.927 3.272 ( 3.443 -0.326 -1.362) 3.717 3.422 ( -3.771 0.798 1.353) 4.085 3.550 ( 1.819 1.011 0.809) 2.232 3.597 ( 2.025 3.461 0.102) 4.011 3.704 ( 1.661 6.133 3.902) 7.457 3.859 ( -6.555 8.801 5.291) 12.183 3.993 ( 1.794 6.603 -5.899) 9.034 4.046 ( -3.321 7.986 -3.220) 9.229 4.368 ( 6.160 -0.322 -1.567) 6.365 4.563 ( -2.702 -0.756 -0.935) 2.958 6.397 ( 3.243 0.569 5.553) 6.456 6.509 ( 0.299 2.863 3.078) 4.214 6.681 ( -1.287 1.993 -4.316) 4.925 6.697 ( -4.046 1.223 -3.188) 5.295 6.959 ( -0.008 6.762 1.649) 6.960 7.009 ( -1.107 -1.239 2.167) 2.731 7.071 ( -0.854 0.621 -1.132) 1.548 7.130 ( -0.936 0.173 -5.228) 5.314 7.279 ( 3.708 0.594 3.422) 5.081 7.384 ( -1.407 3.513 -6.970) 7.932 7.423 ( -2.756 3.885 -0.081) 4.764 7.614 ( -3.497 -1.790 0.941) 4.040 7.703 ( 0.484 2.605 13.674) 13.928 7.934 ( 4.407 0.966 -6.432) 7.857 8.289 ( -0.983 -1.854 7.940) 8.213 8.378 ( -2.626 -3.454 0.293) 4.349 8.548 ( -3.243 -1.746 4.467) 5.789 8.619 ( 1.535 -1.425 -5.323) 5.720 8.743 ( 0.904 -0.534 -0.829) 1.338 8.820 ( -0.514 -3.947 0.580) 4.023 9.006 ( -0.523 -0.970 -3.416) 3.589 9.048 ( -1.195 -0.322 -5.514) 5.652 9.142 ( 4.679 -0.291 0.980) 4.790 9.320 ( -1.341 -1.894 -0.975) 2.518 ======================= Grid point 187 (97/116) ======================= q-point: (-0.50 0.14 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -1.826 3.928 1.921) 4.739 1.764 ( -2.446 5.008 -1.086) 5.678 1.984 ( -3.938 -1.663 4.938) 6.531 2.070 ( 8.106 -0.521 -1.669) 8.292 2.211 ( 0.481 0.193 1.594) 1.676 2.284 ( -0.681 0.727 -3.921) 4.046 2.375 ( -2.222 -1.036 2.296) 3.359 2.430 ( 3.757 -0.630 -1.765) 4.199 2.711 ( 0.641 -10.311 9.319) 13.912 2.832 ( -1.611 -3.756 2.042) 4.569 2.852 ( -0.561 -0.564 0.256) 0.836 2.895 ( -2.986 -11.185 -6.631) 13.341 3.081 ( -4.605 -7.416 4.661) 9.896 3.214 ( 5.734 -10.213 -6.413) 13.353 3.310 ( -6.302 2.989 4.230) 8.157 3.372 ( 4.560 1.471 -1.624) 5.059 3.560 ( -1.001 2.461 2.796) 3.857 3.636 ( 2.188 0.993 -2.901) 3.767 3.757 ( -1.824 9.221 3.569) 10.055 3.791 ( 1.711 9.740 2.772) 10.270 3.927 ( -3.068 8.104 2.165) 8.932 4.068 ( 3.393 6.635 -8.219) 11.095 4.481 ( 0.031 -0.940 -1.044) 1.406 4.491 ( 1.131 -0.441 -2.142) 2.462 6.467 ( 1.386 0.955 7.301) 7.492 6.520 ( 0.405 3.079 6.007) 6.762 6.601 ( -3.992 2.151 -4.538) 6.415 6.667 ( 0.551 -0.101 -6.280) 6.305 6.936 ( -2.204 4.350 8.787) 10.049 7.005 ( -2.696 0.422 0.406) 2.759 7.055 ( 1.534 0.314 -3.812) 4.121 7.124 ( 2.656 -0.624 -6.797) 7.324 7.340 ( -1.718 1.868 1.557) 2.978 7.374 ( 0.482 5.222 -2.408) 5.771 7.431 ( 5.069 1.681 3.005) 6.128 7.503 ( -4.690 0.251 -1.747) 5.012 7.737 ( -0.618 3.233 11.329) 11.798 7.972 ( 1.767 1.335 -8.702) 8.979 8.296 ( -0.206 -1.751 6.020) 6.273 8.358 ( 1.002 -4.705 0.048) 4.811 8.506 ( -2.786 -1.102 6.739) 7.375 8.649 ( 2.816 -2.639 -5.070) 6.372 8.763 ( -0.494 -0.004 -0.346) 0.603 8.797 ( 0.045 -1.494 -1.307) 1.986 8.989 ( -0.807 -2.001 -0.383) 2.192 9.009 ( -1.714 -1.014 -3.105) 3.689 9.235 ( 3.709 -2.041 0.006) 4.233 9.279 ( -1.387 -0.856 -3.421) 3.789 ======================= Grid point 188 (98/116) ======================= q-point: (-0.38 0.14 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -10.466 5.257 4.858) 12.679 1.746 ( -1.270 5.663 1.251) 5.937 1.905 ( -3.994 -0.772 2.600) 4.828 2.145 ( 0.124 0.804 -4.698) 4.768 2.221 ( 0.083 -0.347 1.678) 1.715 2.266 ( -0.117 0.735 -3.370) 3.451 2.408 ( 3.390 -1.510 0.978) 3.838 2.591 ( 10.081 -2.617 -2.724) 10.765 2.616 ( -7.645 -9.320 10.899) 16.251 2.755 ( -4.852 -3.662 -4.637) 7.645 2.903 ( 1.943 -3.060 1.826) 4.059 2.952 ( 7.269 -10.265 2.989) 12.929 3.020 ( -2.063 -4.616 2.724) 5.743 3.195 ( -5.167 4.620 5.613) 8.919 3.271 ( 1.037 -8.650 -4.025) 9.597 3.429 ( 0.157 1.712 0.681) 1.849 3.542 ( -1.051 1.920 0.432) 2.231 3.658 ( 0.815 1.856 -3.427) 3.981 3.710 ( -3.787 6.204 1.847) 7.499 3.808 ( 1.187 11.643 6.693) 13.482 3.991 ( 7.449 4.472 -5.887) 10.495 4.104 ( 1.998 4.684 -3.961) 6.451 4.387 ( -4.104 0.901 -4.144) 5.901 4.570 ( 2.729 -1.112 -1.210) 3.186 6.480 ( -1.513 2.176 6.853) 7.348 6.505 ( -4.054 1.674 -3.820) 5.816 6.558 ( 1.030 5.622 4.764) 7.441 6.695 ( 3.604 -4.046 -1.302) 5.572 6.923 ( -2.663 0.944 3.180) 4.254 6.945 ( -1.051 4.426 3.638) 5.825 7.090 ( 1.819 0.508 -1.820) 2.623 7.179 ( 4.195 -0.161 -6.551) 7.781 7.272 ( -5.114 2.563 4.363) 7.194 7.368 ( -2.471 0.509 -4.325) 5.007 7.419 ( 3.195 4.013 -0.279) 5.137 7.599 ( 5.312 1.681 1.025) 5.665 7.740 ( -1.824 3.023 10.987) 11.540 7.980 ( 1.970 0.557 -10.113) 10.318 8.313 ( 0.564 -3.173 4.685) 5.687 8.409 ( 3.388 -2.992 0.845) 4.598 8.477 ( -1.037 0.029 3.823) 3.961 8.686 ( 0.251 -0.366 -6.401) 6.417 8.718 ( -0.386 -3.891 2.018) 4.401 8.833 ( 2.307 0.395 -0.312) 2.362 8.947 ( -3.907 -3.952 0.169) 5.560 8.978 ( -0.776 -1.745 0.178) 1.918 9.212 ( -2.075 0.719 -3.858) 4.440 9.325 ( 3.473 -1.465 -1.886) 4.215 ======================= Grid point 189 (99/116) ======================= q-point: (-0.25 0.14 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -5.482 7.394 10.653) 14.079 1.739 ( -1.407 6.813 5.764) 9.035 1.848 ( -0.830 0.512 -2.380) 2.572 2.093 ( -2.419 0.699 -9.318) 9.652 2.228 ( -0.152 -0.114 3.155) 3.161 2.259 ( 0.171 1.103 -2.656) 2.881 2.467 ( -0.164 -3.712 1.787) 4.123 2.505 ( -2.255 -6.674 9.014) 11.440 2.655 ( -2.631 -0.678 -6.206) 6.774 2.774 ( 5.905 -4.690 -0.080) 7.541 2.925 ( -2.926 -1.467 9.955) 10.480 2.960 ( -0.887 -4.156 1.016) 4.369 3.057 ( -1.159 -2.349 1.048) 2.821 3.212 ( 0.777 -2.634 1.850) 3.311 3.268 ( 5.253 -3.316 0.839) 6.268 3.379 ( -5.051 3.424 4.736) 7.724 3.530 ( -0.171 1.813 -3.332) 3.798 3.647 ( -1.318 1.444 -4.784) 5.168 3.664 ( 0.652 1.958 1.064) 2.322 3.880 ( 3.495 8.259 3.098) 9.488 4.074 ( 1.289 0.335 -2.245) 2.610 4.168 ( 5.726 3.220 -2.192) 6.925 4.327 ( 0.095 2.360 -8.586) 8.905 4.580 ( -1.506 -1.089 -0.795) 2.021 6.424 ( -2.677 2.053 -4.007) 5.238 6.446 ( -3.199 2.329 3.773) 5.467 6.611 ( 3.096 7.971 5.864) 10.369 6.785 ( 4.487 -6.293 4.168) 8.781 6.863 ( -2.868 2.231 1.710) 4.016 6.978 ( 2.652 2.705 2.061) 4.312 7.090 ( -1.198 1.182 0.965) 1.940 7.239 ( 1.406 1.905 2.327) 3.320 7.246 ( 3.724 1.383 -0.727) 4.039 7.337 ( -0.498 1.126 -3.525) 3.734 7.465 ( 0.914 2.542 -0.507) 2.749 7.638 ( -0.801 0.349 -0.754) 1.154 7.718 ( -3.220 2.895 6.413) 7.738 8.000 ( 2.446 -0.722 -12.126) 12.391 8.325 ( -0.905 -2.357 5.443) 6.000 8.471 ( 2.048 -1.502 5.374) 5.944 8.499 ( 2.981 -1.164 -5.669) 6.509 8.665 ( 0.690 0.162 0.412) 0.820 8.755 ( 1.977 -3.386 -1.429) 4.173 8.852 ( -4.066 -6.868 -1.004) 8.045 8.873 ( 0.558 0.676 3.250) 3.366 8.971 ( -0.101 -1.256 2.218) 2.551 9.169 ( -1.200 2.728 -4.523) 5.416 9.368 ( 1.344 -1.073 -2.581) 3.101 ======================= Grid point 190 (100/116) ======================= q-point: (-0.12 0.14 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 2.461 8.114 14.776) 17.036 1.686 ( -5.374 5.730 15.896) 17.731 1.864 ( 1.684 1.335 -10.013) 10.241 2.038 ( 0.065 3.326 -12.649) 13.079 2.225 ( -1.324 -0.011 3.629) 3.863 2.262 ( 1.387 0.539 -3.910) 4.184 2.429 ( -2.094 -4.512 8.057) 9.469 2.558 ( 2.319 -3.596 0.738) 4.342 2.611 ( 0.932 0.698 -4.142) 4.302 2.827 ( -8.041 0.953 10.334) 13.128 2.853 ( 2.097 -4.636 2.153) 5.524 2.967 ( -0.261 -4.610 -0.873) 4.699 3.034 ( -0.611 -0.967 6.126) 6.232 3.187 ( -0.120 -3.022 -0.567) 3.077 3.294 ( -4.095 2.707 3.070) 5.789 3.384 ( 2.181 2.771 -4.501) 5.718 3.521 ( 0.624 0.512 -1.653) 1.840 3.604 ( -1.947 1.999 -3.809) 4.722 3.741 ( 6.556 -1.296 1.845) 6.933 3.927 ( 0.121 4.810 2.839) 5.587 4.088 ( 0.749 -1.818 1.312) 2.364 4.250 ( 1.956 2.754 -0.124) 3.380 4.353 ( 5.001 -0.290 -11.976) 12.981 4.513 ( -4.571 -0.219 -1.117) 4.710 6.385 ( -0.792 3.476 -2.313) 4.250 6.386 ( -3.046 2.682 2.124) 4.581 6.696 ( 4.062 7.987 2.675) 9.351 6.805 ( -2.005 2.817 -0.244) 3.466 6.901 ( 4.174 -5.028 9.324) 11.386 7.046 ( 3.739 -0.852 0.796) 3.916 7.113 ( 3.601 1.379 2.864) 4.803 7.267 ( 0.683 1.545 -2.937) 3.388 7.317 ( -0.905 3.022 2.563) 4.064 7.333 ( 3.041 -0.224 4.097) 5.107 7.447 ( -1.767 1.680 -1.252) 2.741 7.596 ( -1.857 1.216 -3.492) 4.138 7.639 ( -5.609 2.147 3.177) 6.795 7.984 ( -1.182 -1.125 -14.593) 14.684 8.316 ( -1.306 -1.331 6.795) 7.046 8.512 ( 1.869 -2.996 -3.439) 4.929 8.546 ( 2.163 -2.748 -0.014) 3.498 8.692 ( 0.752 -1.711 1.626) 2.477 8.738 ( -2.587 -1.990 0.857) 3.374 8.826 ( 1.540 -5.620 -2.436) 6.316 8.894 ( 0.207 0.667 4.061) 4.121 8.994 ( 1.907 1.019 1.749) 2.781 9.152 ( 0.858 2.433 -2.261) 3.431 9.360 ( -1.476 -0.452 -3.497) 3.823 ======================= Grid point 191 (101/116) ======================= q-point: ( 0.00 0.29 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 1.322 9.540 8.597) 12.910 1.807 ( -0.120 8.832 11.239) 14.294 1.901 ( -1.679 5.495 -3.704) 6.836 2.129 ( 1.533 5.011 -11.260) 12.420 2.214 ( -1.552 0.935 2.219) 2.864 2.267 ( 1.420 -2.779 -3.333) 4.566 2.391 ( 1.493 -1.309 7.936) 8.181 2.533 ( 1.763 -2.150 -1.964) 3.404 2.622 ( 2.984 -4.606 -1.325) 5.646 2.664 ( -5.140 -3.817 -2.690) 6.944 2.756 ( -1.953 -5.332 4.716) 7.381 2.851 ( 1.468 -5.433 -3.796) 6.788 3.068 ( 0.248 -0.684 3.571) 3.644 3.136 ( 1.154 -3.657 -2.780) 4.736 3.343 ( -1.356 7.367 5.982) 9.587 3.462 ( 1.610 2.918 -4.420) 5.536 3.544 ( -0.868 1.500 1.875) 2.554 3.595 ( -1.466 1.932 -2.410) 3.419 3.891 ( 1.371 1.309 2.733) 3.326 3.951 ( -0.606 2.311 -1.203) 2.675 4.068 ( 0.810 -1.214 6.364) 6.530 4.182 ( -2.258 -4.059 -3.121) 5.596 4.411 ( -1.939 1.788 1.248) 2.918 4.485 ( 2.523 0.591 -5.357) 5.950 6.419 ( -2.519 4.923 3.884) 6.758 6.486 ( 2.117 4.971 -2.523) 5.963 6.802 ( -1.415 -3.172 5.866) 6.817 6.833 ( 2.137 -0.928 1.639) 2.849 7.005 ( 2.762 4.786 0.803) 5.584 7.063 ( 0.689 -0.142 -3.299) 3.374 7.218 ( 2.230 0.956 3.869) 4.567 7.260 ( -2.388 -1.432 -0.552) 2.838 7.352 ( -1.771 4.100 0.312) 4.478 7.366 ( 2.058 2.646 -0.908) 3.473 7.529 ( 2.335 3.165 6.680) 7.752 7.613 ( -3.866 6.698 -1.726) 7.923 7.634 ( 1.945 0.657 1.504) 2.545 7.859 ( -4.838 -0.480 -14.135) 14.948 8.273 ( -1.631 -2.642 6.985) 7.644 8.417 ( 0.180 -6.123 -4.795) 7.779 8.484 ( 0.019 -4.750 6.511) 8.060 8.600 ( -0.743 -5.523 4.545) 7.191 8.664 ( -0.875 -0.974 -5.076) 5.242 8.773 ( 0.906 -3.612 -6.614) 7.590 8.981 ( 2.887 3.051 4.737) 6.331 9.066 ( 1.666 1.269 -1.570) 2.617 9.213 ( 1.672 0.733 0.894) 2.033 9.292 ( -3.100 -0.455 -4.869) 5.790 ======================= Grid point 192 (102/116) ======================= q-point: ( 0.12 0.29 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -0.734 9.112 5.609) 10.725 1.842 ( -0.297 8.945 12.747) 15.576 1.855 ( -0.319 5.304 -6.676) 8.533 2.112 ( -0.246 6.325 -8.698) 10.757 2.207 ( 0.353 1.108 1.332) 1.768 2.289 ( 1.506 -2.682 -2.996) 4.294 2.428 ( 0.502 -1.042 6.632) 6.732 2.532 ( -2.473 -0.714 -3.724) 4.527 2.574 ( 0.250 -4.291 -7.078) 8.281 2.674 ( -0.424 -6.731 2.845) 7.320 2.750 ( 0.858 -7.266 4.761) 8.729 2.882 ( 2.255 -6.044 -2.948) 7.093 3.058 ( -1.839 -2.242 0.269) 2.912 3.135 ( -0.872 -3.949 -1.664) 4.373 3.339 ( -0.537 3.623 3.825) 5.296 3.466 ( -2.063 -0.237 -1.010) 2.310 3.515 ( -0.923 2.863 0.142) 3.012 3.599 ( 0.624 2.941 2.269) 3.767 3.801 ( -3.568 2.943 0.659) 4.671 4.003 ( 1.976 2.076 -1.849) 3.411 4.117 ( 2.735 3.118 4.725) 6.287 4.177 ( 0.527 -1.197 0.841) 1.555 4.357 ( -2.364 2.628 -1.949) 4.037 4.534 ( 2.588 -1.242 -2.810) 4.017 6.382 ( -1.797 4.591 3.731) 6.183 6.527 ( 2.014 4.146 -1.609) 4.882 6.778 ( -1.737 -3.009 2.893) 4.521 6.859 ( -0.254 3.809 1.129) 3.981 7.021 ( -0.723 0.347 -0.530) 0.961 7.048 ( -0.120 -0.015 -7.015) 7.016 7.177 ( -4.272 0.326 0.425) 4.306 7.243 ( -0.581 -1.233 0.708) 1.536 7.378 ( 1.532 8.881 -2.418) 9.331 7.430 ( 2.649 2.512 4.872) 6.088 7.512 ( -0.816 3.081 -0.601) 3.243 7.644 ( 3.541 3.547 9.090) 10.380 7.691 ( 1.472 -2.325 -0.014) 2.752 7.724 ( -3.153 2.840 -8.022) 9.075 8.248 ( -2.430 -3.561 6.992) 8.214 8.426 ( 0.681 -2.954 -2.439) 3.891 8.507 ( 1.172 -7.935 6.728) 10.469 8.600 ( -1.595 -5.033 6.403) 8.299 8.633 ( 0.601 -0.391 -7.432) 7.467 8.761 ( -0.712 -2.779 -5.575) 6.269 9.032 ( 1.102 1.506 1.588) 2.451 9.063 ( -0.135 1.581 -6.544) 6.734 9.200 ( -3.777 0.616 -3.392) 5.114 9.265 ( 1.573 -1.211 2.206) 2.968 ======================= Grid point 193 (103/116) ======================= q-point: ( 0.25 0.29 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -0.754 9.043 2.059) 9.305 1.848 ( 0.463 4.610 -2.672) 5.349 1.897 ( 2.715 6.441 7.368) 10.156 2.079 ( -1.512 4.541 -5.097) 6.992 2.221 ( 0.530 1.313 1.059) 1.768 2.307 ( 0.868 -1.457 -2.191) 2.770 2.450 ( -0.894 -1.981 5.178) 5.615 2.472 ( -0.545 -0.432 -1.590) 1.736 2.578 ( -0.948 -5.875 -5.394) 8.032 2.660 ( 0.727 -5.068 -2.480) 5.689 2.768 ( -0.843 -11.683 3.169) 12.134 2.904 ( -0.596 -7.782 -0.313) 7.811 2.996 ( -3.346 -1.482 -2.434) 4.396 3.093 ( -3.265 -5.542 1.184) 6.541 3.307 ( -1.980 3.134 0.719) 3.776 3.459 ( -0.165 -1.058 1.225) 1.627 3.494 ( 0.981 0.280 -0.365) 1.084 3.611 ( 0.240 0.496 1.636) 1.726 3.803 ( 2.090 7.718 4.106) 8.989 4.053 ( 3.713 5.604 -2.721) 7.252 4.148 ( -3.428 7.187 7.255) 10.772 4.188 ( 3.042 1.726 -4.514) 5.710 4.327 ( -0.162 2.756 -1.291) 3.048 4.558 ( 0.145 -2.467 -1.015) 2.671 6.379 ( 0.583 3.298 4.444) 5.565 6.545 ( -0.027 1.417 0.475) 1.494 6.757 ( -0.613 0.401 -1.248) 1.447 6.833 ( -2.347 6.324 -0.352) 6.755 6.997 ( -1.025 0.521 -0.565) 1.281 7.050 ( 2.066 -1.159 -8.265) 8.598 7.112 ( -2.274 0.028 0.415) 2.311 7.195 ( -4.685 -2.212 0.916) 5.261 7.334 ( -2.156 10.549 0.975) 10.811 7.505 ( 1.253 2.871 -2.518) 4.019 7.523 ( 0.325 3.531 0.200) 3.551 7.612 ( -1.519 0.345 -3.113) 3.481 7.712 ( 0.553 2.139 12.779) 12.968 7.821 ( 7.504 -0.329 -0.151) 7.513 8.227 ( -1.560 -3.609 6.895) 7.937 8.404 ( -2.885 -0.618 1.695) 3.402 8.548 ( 0.110 -5.191 -1.714) 5.468 8.563 ( -2.051 -4.674 6.584) 8.330 8.665 ( 2.978 -2.873 -2.830) 5.013 8.732 ( 0.043 -2.033 -4.065) 4.545 9.017 ( -1.443 -0.548 -7.727) 7.880 9.050 ( 0.149 -0.822 -3.042) 3.154 9.141 ( -1.517 2.230 -0.116) 2.700 9.285 ( -0.169 -2.462 1.194) 2.741 ======================= Grid point 194 (104/116) ======================= q-point: ( 0.38 0.29 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 5.738 6.346 -0.145) 8.556 1.866 ( 2.328 2.768 -0.448) 3.644 1.949 ( -0.087 3.725 3.157) 4.884 2.025 ( -2.888 0.722 -0.656) 3.048 2.230 ( -0.006 1.347 1.920) 2.346 2.311 ( 0.215 -0.139 -1.155) 1.183 2.415 ( -2.610 -0.778 -2.403) 3.632 2.453 ( -4.755 -1.767 2.749) 5.769 2.532 ( -0.299 -3.141 5.531) 6.368 2.687 ( 2.308 -9.231 -10.290) 14.015 2.750 ( -0.256 -10.657 0.236) 10.663 2.827 ( -5.769 -7.990 1.243) 9.933 2.980 ( 1.692 -2.887 -2.808) 4.369 3.021 ( -3.923 -5.038 1.650) 6.595 3.319 ( 3.240 2.883 -0.208) 4.342 3.432 ( -2.600 0.208 2.250) 3.445 3.549 ( 3.230 -0.544 -0.422) 3.302 3.618 ( 0.051 -0.934 0.141) 0.946 3.881 ( 4.863 10.269 3.178) 11.799 4.057 ( -4.929 9.670 4.905) 11.911 4.133 ( 2.380 5.945 -1.586) 6.597 4.209 ( -0.291 7.402 -3.760) 8.307 4.358 ( 3.733 -0.427 0.458) 3.785 4.532 ( -2.409 -2.490 -0.701) 3.535 6.428 ( 2.852 2.413 5.969) 7.041 6.545 ( 0.056 0.339 3.413) 3.430 6.733 ( -1.655 4.094 -4.582) 6.363 6.769 ( -3.389 4.946 -3.969) 7.190 6.984 ( -0.437 -0.687 0.783) 1.129 7.061 ( 0.739 -0.001 -6.886) 6.925 7.076 ( -3.101 0.569 3.060) 4.393 7.111 ( -1.854 -2.049 -1.434) 3.114 7.343 ( 2.501 6.329 3.795) 7.792 7.480 ( -0.405 5.616 -5.423) 7.817 7.505 ( -1.797 3.481 -0.097) 3.918 7.588 ( -2.971 0.056 3.841) 4.856 7.774 ( 2.776 3.746 9.010) 10.145 7.957 ( 5.960 0.734 -2.787) 6.620 8.210 ( -1.734 -4.401 4.614) 6.608 8.332 ( -4.509 -0.933 2.564) 5.270 8.496 ( -2.929 -3.228 3.784) 5.772 8.572 ( 0.542 -3.692 -0.118) 3.733 8.713 ( 2.768 -2.339 -1.819) 4.055 8.751 ( 1.498 -2.238 -2.646) 3.776 8.979 ( -0.508 -1.152 -4.958) 5.115 9.031 ( -1.322 -1.514 -4.651) 5.067 9.138 ( 1.225 0.174 1.416) 1.880 9.268 ( -1.255 -3.064 -1.428) 3.606 ======================= Grid point 195 (105/116) ======================= q-point: (-0.50 0.29 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -2.273 6.638 2.532) 7.459 1.883 ( -1.768 6.218 -1.126) 6.562 1.938 ( -2.473 -2.678 3.664) 5.168 2.016 ( 7.129 -4.428 -3.015) 8.917 2.235 ( -0.030 1.901 3.556) 4.032 2.307 ( -1.113 1.601 -2.993) 3.572 2.346 ( -1.078 -1.936 3.106) 3.815 2.416 ( 1.101 -0.451 -2.352) 2.636 2.527 ( -4.202 -7.076 7.887) 11.399 2.665 ( -0.934 -8.484 -1.687) 8.700 2.738 ( -1.591 -6.881 -0.564) 7.085 2.800 ( 3.952 -6.905 -4.760) 9.271 2.960 ( -2.605 -3.569 1.766) 4.758 3.025 ( 3.458 -5.866 -4.360) 8.086 3.364 ( -4.448 2.435 2.951) 5.867 3.403 ( 4.207 1.445 -1.024) 4.565 3.582 ( -0.342 0.130 1.003) 1.067 3.629 ( 1.845 -1.247 -2.758) 3.545 3.962 ( -4.786 9.874 3.468) 11.508 4.005 ( 6.584 10.468 -0.210) 12.368 4.125 ( -3.712 10.009 4.001) 11.400 4.197 ( 0.114 5.487 -2.913) 6.213 4.446 ( 2.979 -2.659 0.374) 4.010 4.475 ( -1.232 -1.236 -2.707) 3.221 6.504 ( 2.446 2.518 8.290) 9.003 6.576 ( 1.975 1.995 4.745) 5.513 6.658 ( -4.032 3.157 -4.272) 6.669 6.693 ( -3.135 2.773 -6.177) 7.461 6.966 ( -2.082 -0.484 3.917) 4.462 7.039 ( -1.102 0.768 -0.868) 1.599 7.057 ( 0.930 -0.800 -1.238) 1.743 7.108 ( 2.010 -0.194 -3.930) 4.418 7.386 ( -1.523 2.987 4.723) 5.792 7.472 ( -3.284 1.851 1.304) 3.989 7.494 ( 2.428 5.552 -1.846) 6.335 7.547 ( 2.417 4.606 -1.069) 5.310 7.833 ( 0.073 6.062 8.255) 10.242 8.013 ( 1.323 2.694 -6.935) 7.556 8.226 ( 3.095 -6.308 3.618) 7.903 8.255 ( -3.234 -3.573 1.759) 5.130 8.472 ( -1.340 -1.995 6.981) 7.383 8.585 ( 1.210 -3.741 -1.394) 4.172 8.740 ( -0.864 -1.875 -2.825) 3.499 8.772 ( 2.461 -1.075 -3.146) 4.136 8.953 ( -2.363 -1.271 0.308) 2.700 8.983 ( -1.892 -1.340 -2.831) 3.659 9.188 ( 2.794 -2.244 -0.002) 3.583 9.244 ( 0.312 -2.521 -4.418) 5.096 ======================= Grid point 196 (106/116) ======================= q-point: (-0.38 0.29 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -7.832 7.985 4.388) 12.015 1.874 ( -0.566 3.317 -0.910) 3.486 1.910 ( -0.627 4.296 4.133) 5.994 2.119 ( 2.073 -3.709 -6.133) 7.461 2.240 ( -0.676 2.033 2.569) 3.345 2.284 ( -0.151 0.826 -0.836) 1.185 2.365 ( 1.473 -2.539 2.481) 3.843 2.415 ( -6.924 -8.737 11.800) 16.233 2.523 ( 8.561 -4.151 -2.963) 9.965 2.659 ( -0.225 -4.146 -4.322) 5.993 2.754 ( 3.359 -8.022 -0.185) 8.699 2.869 ( 3.913 -5.321 -2.271) 6.984 2.921 ( -1.942 -2.566 2.310) 3.961 3.086 ( 3.482 -7.286 -4.116) 9.064 3.290 ( -3.025 4.580 2.635) 6.089 3.455 ( 0.978 0.979 -0.375) 1.433 3.560 ( -1.546 0.030 -1.023) 1.854 3.655 ( 1.254 -1.595 -3.272) 3.850 3.878 ( -4.713 8.929 3.104) 10.563 4.052 ( -3.307 11.641 6.022) 13.518 4.142 ( 5.184 9.369 -2.330) 10.958 4.167 ( -1.470 1.208 -0.529) 1.975 4.409 ( -1.722 0.820 -4.441) 4.833 4.531 ( 2.509 -2.867 -0.034) 3.809 6.527 ( -3.885 1.742 1.527) 4.523 6.566 ( -0.816 4.576 2.319) 5.195 6.626 ( -0.605 -2.466 -0.895) 2.692 6.681 ( 4.227 5.758 4.456) 8.419 6.929 ( -2.753 -0.248 4.029) 4.886 7.024 ( 0.367 3.090 -2.366) 3.909 7.085 ( 1.286 -1.794 0.240) 2.220 7.165 ( 4.388 -1.032 -3.015) 5.424 7.338 ( -3.638 4.183 5.382) 7.727 7.399 ( -2.581 2.508 -0.527) 3.637 7.533 ( 2.194 6.303 -2.176) 7.019 7.643 ( 4.210 2.415 -2.031) 5.261 7.817 ( -2.916 4.571 7.566) 9.308 8.006 ( 0.025 1.895 -8.472) 8.682 8.235 ( 1.274 -4.025 2.241) 4.780 8.331 ( 5.454 -4.595 3.212) 7.821 8.466 ( -0.782 -0.813 4.631) 4.766 8.613 ( 1.515 -5.123 0.190) 5.345 8.696 ( -1.841 0.072 -4.216) 4.601 8.791 ( -0.455 -3.901 -3.890) 5.528 8.894 ( -2.747 -0.606 1.855) 3.370 8.952 ( -1.263 -1.439 1.265) 2.295 9.208 ( 0.616 -0.754 -3.617) 3.746 9.286 ( 3.683 -2.333 -3.258) 5.443 ======================= Grid point 197 (107/116) ======================= q-point: (-0.25 0.29 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -2.818 11.098 8.324) 14.156 1.871 ( -1.914 2.967 3.153) 4.734 1.914 ( 1.543 8.569 1.279) 8.800 2.097 ( -0.856 -0.680 -7.388) 7.468 2.230 ( -0.497 0.191 0.458) 0.702 2.286 ( -0.091 1.025 -0.497) 1.143 2.340 ( -3.019 -6.257 10.857) 12.890 2.406 ( 2.170 -4.619 2.572) 5.715 2.626 ( 0.464 -1.906 -6.784) 7.062 2.676 ( 4.560 -4.448 -1.285) 6.498 2.804 ( 0.217 -8.625 0.534) 8.644 2.895 ( -0.897 -5.206 0.158) 5.285 2.957 ( 4.555 -2.777 0.811) 5.396 3.129 ( 1.178 -5.346 -2.206) 5.902 3.289 ( 3.138 3.858 2.308) 5.482 3.444 ( -2.357 1.898 2.403) 3.865 3.541 ( 1.157 0.033 -3.872) 4.041 3.663 ( 0.331 -0.405 -3.098) 3.142 3.786 ( -4.978 8.689 3.883) 10.741 4.030 ( -0.704 7.181 3.569) 8.049 4.085 ( -3.908 -0.020 1.478) 4.178 4.266 ( 5.331 6.164 -1.968) 8.384 4.366 ( -1.569 0.781 -6.043) 6.292 4.547 ( -0.916 -2.169 0.299) 2.373 6.455 ( -2.367 1.382 -1.284) 3.027 6.533 ( -2.347 5.246 0.838) 5.807 6.668 ( 2.869 -4.706 6.101) 8.222 6.790 ( 5.448 8.222 4.692) 10.923 6.882 ( -3.064 -0.520 4.409) 5.394 7.034 ( 1.013 2.828 -2.958) 4.216 7.103 ( 0.757 -0.084 1.538) 1.716 7.246 ( 3.927 -1.704 -1.174) 4.439 7.312 ( 0.172 5.280 3.761) 6.485 7.372 ( -0.542 2.356 1.250) 2.722 7.551 ( -0.536 5.424 -1.563) 5.670 7.662 ( -0.705 2.031 -3.727) 4.303 7.774 ( -3.369 2.384 4.154) 5.856 7.985 ( 0.631 -0.893 -10.931) 10.985 8.276 ( 0.983 -1.856 2.927) 3.603 8.430 ( 2.948 -2.826 4.234) 5.883 8.463 ( -0.067 -1.953 -0.924) 2.161 8.622 ( -0.842 -5.763 1.603) 6.041 8.696 ( 2.787 -1.092 -3.695) 4.755 8.732 ( -2.896 -3.908 -2.800) 5.613 8.882 ( 0.483 0.225 2.353) 2.413 8.947 ( 0.447 -1.410 3.653) 3.941 9.210 ( 0.452 1.574 -4.333) 4.632 9.336 ( 2.049 -2.020 -3.412) 4.463 ======================= Grid point 198 (108/116) ======================= q-point: (-0.12 0.29 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 2.153 11.796 10.142) 15.705 1.821 ( -3.880 7.099 10.590) 13.327 1.931 ( -0.357 5.290 -3.172) 6.179 2.103 ( 3.435 2.480 -10.395) 11.225 2.228 ( 0.147 -0.115 -0.178) 0.258 2.268 ( -0.959 -0.927 -1.515) 2.018 2.346 ( 0.327 -2.694 9.878) 10.244 2.470 ( 3.513 -5.002 2.948) 6.785 2.609 ( 0.144 -0.549 -6.885) 6.908 2.733 ( 0.713 -4.944 -2.394) 5.539 2.780 ( -2.127 -6.021 3.032) 7.069 2.863 ( -1.867 -5.560 -2.333) 6.312 3.030 ( 2.488 -0.463 3.555) 4.364 3.125 ( 0.006 -2.800 -1.158) 3.030 3.352 ( -0.658 2.931 3.518) 4.626 3.441 ( 2.987 2.041 -0.155) 3.621 3.549 ( -0.848 2.734 -2.990) 4.140 3.646 ( -1.486 1.745 -1.874) 2.960 3.767 ( 4.000 3.867 2.273) 6.010 4.013 ( -2.471 3.887 3.921) 6.049 4.047 ( -0.139 -2.197 0.913) 2.383 4.271 ( -4.574 -1.762 -1.501) 5.126 4.377 ( 4.232 3.114 -4.378) 6.839 4.508 ( -2.504 -0.369 -0.861) 2.673 6.434 ( -0.002 2.628 0.618) 2.700 6.490 ( -1.955 5.860 0.171) 6.180 6.748 ( 3.539 -5.500 6.017) 8.887 6.838 ( -2.175 -0.376 3.607) 4.229 6.912 ( 5.523 7.807 3.533) 10.195 7.048 ( 1.182 1.300 -2.439) 3.006 7.144 ( 2.947 1.392 3.321) 4.653 7.286 ( 0.002 -1.485 -0.775) 1.675 7.344 ( 1.634 3.123 0.325) 3.539 7.383 ( -0.084 2.731 6.474) 7.026 7.507 ( -2.176 4.463 -0.909) 5.048 7.630 ( -0.978 2.313 -4.551) 5.198 7.701 ( -4.362 3.585 0.387) 5.659 7.956 ( -1.224 -1.715 -13.186) 13.354 8.281 ( -0.875 -1.885 4.352) 4.823 8.443 ( -1.139 -3.708 -0.693) 3.941 8.470 ( 0.057 -4.283 2.005) 4.729 8.606 ( -0.975 -6.449 3.765) 7.531 8.685 ( -0.269 -1.769 -5.049) 5.357 8.758 ( 2.554 -2.334 -5.056) 6.126 8.915 ( 2.037 1.497 5.148) 5.735 9.000 ( 3.618 -0.299 4.225) 5.570 9.203 ( 0.094 2.566 -3.586) 4.411 9.342 ( -0.607 -1.371 -4.086) 4.352 ======================= Grid point 199 (109/116) ======================= q-point: ( 0.00 0.43 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 0.414 8.132 3.401) 8.824 1.952 ( 0.496 3.716 -0.343) 3.765 2.046 ( -0.137 8.022 3.969) 8.951 2.165 ( 1.956 -2.549 -3.207) 4.540 2.191 ( 0.642 -2.932 1.694) 3.446 2.206 ( -0.132 -2.304 -1.222) 2.612 2.392 ( 1.094 1.928 7.705) 8.017 2.460 ( 2.658 -4.290 5.278) 7.302 2.581 ( -0.780 0.432 -6.277) 6.340 2.606 ( -3.185 -1.465 -5.834) 6.806 2.675 ( -0.708 -1.297 -0.058) 1.478 2.737 ( 1.039 -5.694 -4.940) 7.610 3.054 ( -0.131 -0.084 0.305) 0.342 3.075 ( 0.268 -2.152 -1.569) 2.677 3.469 ( -1.744 3.532 0.501) 3.971 3.494 ( 1.044 0.348 -1.948) 2.237 3.589 ( -0.857 2.889 2.077) 3.660 3.622 ( -0.904 0.107 -1.167) 1.480 3.932 ( 0.243 2.926 3.308) 4.423 3.980 ( -0.907 -0.352 -0.761) 1.235 4.051 ( 2.682 0.278 4.964) 5.649 4.098 ( -1.297 -3.844 0.576) 4.098 4.451 ( -1.234 1.977 1.111) 2.582 4.482 ( 0.588 -0.921 -1.554) 1.900 6.519 ( -1.277 4.770 4.178) 6.468 6.569 ( 0.390 1.721 -0.497) 1.834 6.720 ( 0.822 -2.067 5.594) 6.021 6.767 ( 2.205 -4.525 1.035) 5.139 7.083 ( -0.993 2.539 -2.556) 3.737 7.099 ( 1.073 1.611 -3.447) 3.953 7.223 ( 1.416 -0.196 3.467) 3.750 7.232 ( -1.122 -1.042 3.600) 3.912 7.408 ( 0.434 1.289 1.010) 1.694 7.409 ( 1.403 1.199 0.912) 2.059 7.606 ( -0.271 3.247 2.351) 4.018 7.639 ( -0.400 -0.309 -0.650) 0.823 7.761 ( -0.553 7.081 -3.342) 7.850 7.851 ( -2.219 -1.296 -9.293) 9.642 8.224 ( -2.172 -0.823 3.465) 4.171 8.284 ( -1.567 -6.049 -1.157) 6.355 8.440 ( -0.331 0.374 6.603) 6.622 8.492 ( -0.339 -4.526 6.201) 7.685 8.664 ( 0.106 1.047 -7.929) 7.998 8.705 ( 0.637 -2.900 -7.960) 8.496 9.037 ( 2.978 2.384 4.482) 5.886 9.071 ( 2.700 -0.826 2.633) 3.861 9.238 ( -0.650 1.664 -2.943) 3.443 9.272 ( -1.977 -1.515 -4.746) 5.360 ======================= Grid point 200 (110/116) ======================= q-point: ( 0.12 0.43 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.285 7.043 2.276) 7.408 1.956 ( 0.279 2.895 -3.297) 4.396 2.037 ( -2.372 9.981 4.358) 11.146 2.184 ( -1.140 -1.474 -4.512) 4.881 2.203 ( 1.714 -1.150 -0.830) 2.224 2.213 ( 1.654 -3.822 0.132) 4.167 2.414 ( -0.407 0.841 6.515) 6.582 2.481 ( -1.585 -4.678 0.102) 4.940 2.539 ( 0.231 0.811 -4.461) 4.540 2.582 ( 0.373 -3.098 -2.004) 3.709 2.647 ( -2.384 0.635 0.186) 2.475 2.750 ( 0.760 -6.970 -3.371) 7.780 3.035 ( -1.780 0.101 -0.456) 1.840 3.063 ( -1.531 -2.681 -0.677) 3.161 3.394 ( -2.929 2.164 0.144) 3.645 3.435 ( -3.540 -1.988 -0.745) 4.128 3.580 ( -2.875 2.940 1.889) 4.525 3.622 ( -1.642 -0.885 1.585) 2.448 3.904 ( 1.067 6.519 2.536) 7.076 4.010 ( 3.001 -2.772 -0.132) 4.088 4.143 ( 4.925 1.483 -0.416) 5.160 4.174 ( 5.605 -0.596 3.811) 6.804 4.420 ( -1.822 3.685 0.321) 4.123 4.491 ( 0.287 -3.030 -0.366) 3.066 6.480 ( -2.656 4.861 3.033) 6.315 6.559 ( -1.944 -1.979 1.424) 3.118 6.757 ( 2.945 2.580 0.318) 3.928 6.847 ( 4.545 -4.621 0.433) 6.496 7.034 ( -3.107 2.592 -1.339) 4.262 7.070 ( -2.165 -0.253 -3.333) 3.982 7.189 ( -3.439 1.099 0.739) 3.685 7.216 ( -2.432 -1.396 0.074) 2.805 7.471 ( 4.920 2.305 2.458) 5.963 7.491 ( 5.140 0.959 1.836) 5.542 7.594 ( -1.365 3.502 0.083) 3.759 7.643 ( 0.274 -2.079 -0.968) 2.310 7.736 ( -1.888 5.257 0.329) 5.595 7.786 ( -1.358 1.570 -4.076) 4.575 8.200 ( -0.937 0.425 5.145) 5.247 8.296 ( 2.550 -7.971 2.324) 8.686 8.446 ( -0.874 0.785 6.643) 6.746 8.500 ( -0.814 -4.274 6.396) 7.735 8.646 ( 0.403 1.630 -7.905) 8.081 8.697 ( 0.388 -3.198 -6.994) 7.700 9.062 ( -1.182 1.580 -1.140) 2.278 9.083 ( -1.112 -0.131 -3.319) 3.503 9.213 ( -1.689 0.950 -1.555) 2.485 9.238 ( 0.002 -1.409 -0.009) 1.409 ======================= Grid point 201 (111/116) ======================= q-point: ( 0.25 0.43 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -2.066 7.841 1.880) 8.324 1.948 ( 0.179 4.815 -4.391) 6.519 1.997 ( -1.908 3.677 3.738) 5.580 2.119 ( -3.918 -3.080 -3.709) 6.213 2.232 ( 1.246 0.012 0.573) 1.372 2.254 ( 1.800 -2.969 0.395) 3.494 2.431 ( 1.110 0.881 2.700) 3.050 2.465 ( 1.591 -1.184 -4.450) 4.872 2.536 ( -1.759 1.685 -4.185) 4.842 2.574 ( -1.428 -5.429 3.053) 6.390 2.588 ( -2.310 -0.184 -0.896) 2.485 2.722 ( -3.303 -9.684 -1.427) 10.331 2.989 ( -2.193 0.492 -1.458) 2.679 3.015 ( -2.774 -2.295 0.022) 3.600 3.362 ( -0.668 2.572 0.408) 2.688 3.415 ( 0.465 -2.697 1.073) 2.940 3.526 ( -1.164 2.542 0.853) 2.923 3.582 ( -1.456 -2.657 1.352) 3.318 3.974 ( 4.289 7.957 2.078) 9.275 4.091 ( 4.661 -3.028 -0.639) 5.595 4.224 ( 2.687 4.186 0.759) 5.031 4.266 ( 2.383 1.407 4.614) 5.380 4.390 ( -0.862 4.193 -1.511) 4.540 4.486 ( -0.814 -4.566 -0.015) 4.638 6.453 ( -0.550 3.827 3.337) 5.107 6.524 ( -1.465 -2.866 2.277) 3.942 6.820 ( 3.167 5.290 -3.338) 7.012 6.931 ( 3.741 -3.324 0.303) 5.013 6.964 ( -3.682 3.117 -2.026) 5.233 7.031 ( -0.569 -1.424 -2.384) 2.834 7.110 ( -4.417 0.459 -1.450) 4.671 7.143 ( -4.608 -2.471 -0.893) 5.304 7.522 ( -2.742 5.849 5.275) 8.340 7.563 ( 0.167 0.958 5.524) 5.609 7.583 ( 2.064 3.609 -6.519) 7.732 7.625 ( 0.008 0.070 -8.491) 8.492 7.736 ( 1.827 1.715 7.726) 8.123 7.802 ( 3.092 -2.899 3.870) 5.739 8.222 ( 1.140 4.337 5.544) 7.130 8.363 ( 1.984 -7.128 0.894) 7.453 8.436 ( -1.461 -0.359 7.668) 7.814 8.481 ( -2.723 -3.661 5.488) 7.137 8.650 ( 2.018 1.001 -6.460) 6.841 8.688 ( 0.880 -2.359 -5.860) 6.378 9.014 ( -2.037 0.449 -5.740) 6.107 9.031 ( -2.049 -1.029 -5.135) 5.623 9.184 ( -1.409 2.261 0.386) 2.692 9.233 ( -0.993 -2.559 0.778) 2.852 ======================= Grid point 202 (112/116) ======================= q-point: ( 0.38 0.43 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -0.349 4.387 1.714) 4.723 1.953 ( 0.951 3.695 -2.558) 4.594 1.960 ( -2.881 -0.664 2.242) 3.711 2.045 ( -2.351 -0.863 -2.838) 3.785 2.251 ( 0.274 0.847 2.840) 2.976 2.279 ( 0.497 -2.343 3.284) 4.065 2.441 ( -4.979 3.079 -1.500) 6.043 2.455 ( -0.106 2.850 -3.885) 4.819 2.508 ( 1.103 -0.124 0.846) 1.396 2.530 ( -0.814 -3.481 -1.591) 3.913 2.580 ( 0.547 -6.320 -3.132) 7.075 2.634 ( -4.126 -9.722 0.112) 10.562 2.959 ( -0.419 -0.062 -1.739) 1.790 2.968 ( -1.905 -1.085 -0.022) 2.193 3.375 ( 1.914 2.681 0.840) 3.400 3.421 ( -0.389 -1.583 2.243) 2.772 3.549 ( 2.387 0.959 -0.507) 2.622 3.583 ( 0.784 -2.072 0.014) 2.215 4.070 ( 5.177 7.663 0.385) 9.256 4.165 ( 1.659 -1.093 0.235) 2.000 4.241 ( -0.389 6.038 4.587) 7.593 4.304 ( 0.958 0.624 1.541) 1.919 4.376 ( -0.617 3.234 -0.636) 3.353 4.461 ( -1.389 -4.383 -1.289) 4.775 6.483 ( 2.390 2.747 5.138) 6.298 6.529 ( 1.365 -1.708 3.913) 4.482 6.832 ( -1.739 4.926 -6.267) 8.159 6.865 ( -5.556 3.290 -5.077) 8.214 6.976 ( -0.000 -0.088 2.757) 2.759 7.025 ( -2.954 -3.250 2.445) 5.027 7.047 ( 1.811 -1.380 -6.245) 6.647 7.064 ( -1.357 -2.152 -1.886) 3.167 7.482 ( -1.911 5.605 4.933) 7.707 7.537 ( -2.561 -0.240 4.617) 5.285 7.583 ( -0.158 4.001 -4.235) 5.828 7.615 ( -0.175 1.088 -1.959) 2.248 7.834 ( 5.616 2.601 6.046) 8.652 7.912 ( 6.332 -4.830 4.508) 9.152 8.221 ( -3.147 5.388 -0.163) 6.242 8.314 ( -5.411 -1.949 -1.577) 5.964 8.437 ( -1.391 -1.771 6.506) 6.885 8.471 ( 0.871 -5.089 7.499) 9.105 8.688 ( 2.940 0.230 -4.698) 5.547 8.713 ( 2.657 -1.787 -5.134) 6.050 8.971 ( -0.897 0.402 -4.225) 4.338 8.994 ( -0.903 -1.794 -3.704) 4.213 9.156 ( -1.080 1.734 -0.310) 2.067 9.205 ( -1.481 -2.978 -1.322) 3.579 ======================= Grid point 203 (113/116) ======================= q-point: (-0.50 0.43 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -0.356 -0.859 1.540) 1.799 1.918 ( 2.032 -3.074 -0.384) 3.705 1.968 ( -2.593 4.573 1.268) 5.408 1.994 ( -0.514 2.401 -1.178) 2.723 2.270 ( 1.002 1.387 4.759) 5.058 2.301 ( 0.513 -2.040 5.999) 6.357 2.351 ( -3.551 2.770 -2.139) 4.986 2.412 ( -2.452 -2.693 -2.086) 4.197 2.444 ( -4.569 2.058 2.683) 5.684 2.559 ( 2.776 -4.431 -4.095) 6.642 2.599 ( 0.484 -5.556 -1.076) 5.680 2.629 ( 4.015 -5.594 -4.579) 8.269 2.941 ( -0.737 0.539 -0.081) 0.917 2.963 ( 1.129 -1.633 -2.133) 2.914 3.409 ( -1.338 1.772 1.506) 2.683 3.424 ( 2.340 0.352 -0.085) 2.368 3.581 ( 0.370 0.114 -0.381) 0.543 3.598 ( 1.041 -1.524 -1.694) 2.506 4.125 ( -4.509 5.860 3.055) 8.001 4.166 ( 3.193 3.405 -0.786) 4.734 4.256 ( 0.178 4.518 3.954) 6.006 4.320 ( -0.505 5.563 -1.722) 5.845 4.374 ( 1.774 -3.627 2.667) 4.839 4.433 ( -0.925 -3.300 -2.543) 4.268 6.557 ( 2.754 2.441 7.657) 8.496 6.590 ( 2.567 -0.598 5.464) 6.067 6.725 ( -5.070 2.967 -4.368) 7.320 6.745 ( -4.907 1.313 -6.643) 8.362 6.961 ( -1.576 0.505 3.474) 3.848 7.001 ( -0.680 -3.232 2.975) 4.445 7.054 ( 1.939 1.312 -5.312) 5.806 7.093 ( 2.688 -1.942 -5.569) 6.482 7.456 ( -2.827 3.320 6.886) 8.150 7.493 ( -3.436 -0.131 6.006) 6.920 7.594 ( 2.373 3.893 -2.521) 5.210 7.624 ( 2.148 1.492 -2.990) 3.973 7.957 ( 3.942 5.514 5.509) 8.735 8.046 ( 4.647 -2.233 0.929) 5.238 8.132 ( -1.900 0.492 -1.073) 2.237 8.190 ( -5.469 -3.185 -2.922) 6.971 8.448 ( -0.002 0.328 8.068) 8.075 8.500 ( 0.400 -4.291 4.999) 6.600 8.719 ( 0.963 0.140 -5.359) 5.447 8.742 ( 1.322 -1.755 -5.570) 5.988 8.944 ( -2.058 0.331 0.212) 2.095 8.959 ( -2.034 -1.044 -1.173) 2.570 9.162 ( 1.963 -0.010 -1.925) 2.750 9.189 ( 1.237 -2.464 -4.018) 4.873 ======================= Grid point 204 (114/116) ======================= q-point: (-0.38 0.43 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -3.450 7.599 3.296) 8.973 1.913 ( 1.066 3.109 0.010) 3.287 1.984 ( 0.424 -1.091 2.860) 3.090 2.012 ( 4.133 -5.963 -1.766) 7.467 2.278 ( -3.660 0.949 0.653) 3.837 2.289 ( -1.632 -0.933 1.004) 2.131 2.318 ( -2.164 0.099 8.960) 9.218 2.332 ( -2.101 -0.318 5.333) 5.741 2.474 ( 6.153 1.716 -3.745) 7.404 2.610 ( 2.997 -7.234 -3.734) 8.675 2.626 ( 3.070 -0.366 -3.756) 4.865 2.688 ( 2.878 -7.132 -3.706) 8.537 2.938 ( 0.529 2.027 0.064) 2.096 2.989 ( 2.078 -3.188 -2.122) 4.357 3.383 ( -1.188 4.438 0.374) 4.610 3.452 ( 0.473 -1.864 -0.579) 2.008 3.566 ( -1.035 1.223 -1.968) 2.538 3.609 ( 0.572 -2.633 -2.415) 3.618 4.038 ( -4.809 6.647 3.205) 8.808 4.138 ( -4.500 -3.101 3.241) 6.354 4.268 ( -3.929 8.653 1.479) 9.617 4.321 ( 4.126 7.530 0.182) 8.589 4.393 ( -1.411 -2.981 -2.725) 4.278 4.450 ( 3.073 -5.150 0.405) 6.011 6.555 ( -4.575 1.203 0.003) 4.731 6.581 ( -2.446 -1.446 2.058) 3.509 6.679 ( 0.108 5.191 2.772) 5.886 6.746 ( 4.066 -0.342 4.634) 6.174 6.939 ( -1.126 2.207 2.683) 3.652 7.014 ( 1.380 -4.363 1.107) 4.708 7.083 ( 2.326 2.791 -5.504) 6.595 7.136 ( 3.161 -2.175 -4.844) 6.180 7.416 ( -2.639 3.068 7.516) 8.537 7.443 ( -2.890 0.776 5.951) 6.661 7.639 ( 2.411 3.780 -2.840) 5.307 7.675 ( 3.031 0.198 -3.319) 4.499 7.925 ( -5.269 5.912 -0.582) 7.941 8.018 ( -4.088 -2.130 -6.001) 7.567 8.187 ( 5.297 0.307 2.255) 5.765 8.239 ( 6.799 -4.082 4.849) 9.295 8.462 ( -0.531 0.941 5.623) 5.726 8.515 ( -0.051 -4.177 3.770) 5.627 8.699 ( -0.990 0.481 -6.167) 6.264 8.726 ( -1.453 -2.304 -6.160) 6.736 8.896 ( -1.995 0.670 1.351) 2.501 8.920 ( -1.767 -1.550 1.670) 2.883 9.204 ( 2.847 0.687 -3.603) 4.643 9.237 ( 3.713 -2.325 -3.735) 5.757 ======================= Grid point 205 (115/116) ======================= q-point: (-0.25 0.43 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -0.725 9.855 5.718) 11.417 1.942 ( 0.411 2.306 1.099) 2.588 2.025 ( 4.206 0.531 1.675) 4.559 2.075 ( 0.916 -0.487 -1.032) 1.463 2.216 ( -2.093 -1.893 1.639) 3.264 2.228 ( -3.152 -2.833 3.493) 5.492 2.318 ( 0.655 0.422 5.040) 5.100 2.332 ( -0.331 -1.436 4.780) 5.002 2.593 ( 5.159 0.768 -4.024) 6.588 2.633 ( 1.438 -0.248 -4.567) 4.795 2.677 ( 1.518 -3.316 -4.210) 5.569 2.734 ( 2.577 -8.215 -2.527) 8.973 2.969 ( 2.722 2.263 0.297) 3.552 3.033 ( 2.757 -4.008 -1.772) 5.177 3.370 ( 0.040 3.929 -0.360) 3.946 3.437 ( -1.439 -2.378 -0.657) 2.856 3.567 ( 2.542 2.660 -2.703) 4.566 3.627 ( 2.308 -2.835 -2.649) 4.515 3.952 ( -4.989 6.920 3.711) 9.303 4.053 ( -4.747 -3.142 3.719) 6.799 4.185 ( -4.817 7.765 2.674) 9.521 4.314 ( -4.807 -4.083 0.952) 6.379 4.405 ( 3.014 5.081 -2.804) 6.539 4.492 ( 0.985 -3.360 -0.267) 3.511 6.490 ( -1.557 2.304 0.489) 2.824 6.549 ( -0.325 -3.237 0.554) 3.300 6.687 ( -1.001 5.884 6.324) 8.696 6.801 ( -0.858 -4.654 6.678) 8.185 6.961 ( 3.302 5.967 0.888) 6.878 7.049 ( 1.956 -2.525 -0.663) 3.262 7.120 ( 2.600 3.001 -3.018) 4.987 7.190 ( 3.166 -3.495 -3.610) 5.939 7.403 ( -0.779 2.710 8.681) 9.127 7.417 ( -1.382 1.347 6.445) 6.727 7.655 ( -0.386 4.286 -3.393) 5.480 7.698 ( 0.278 0.336 -5.307) 5.325 7.832 ( -3.419 4.431 -1.317) 5.750 7.937 ( -1.830 -4.472 -7.487) 8.911 8.279 ( 2.022 2.434 1.513) 3.508 8.354 ( 2.985 -4.321 2.873) 5.986 8.447 ( -2.065 0.819 3.160) 3.863 8.504 ( -1.978 -4.770 2.702) 5.828 8.680 ( -0.066 -0.539 -6.279) 6.302 8.687 ( 1.376 -1.081 -5.438) 5.713 8.891 ( 0.906 0.857 3.287) 3.516 8.916 ( 1.013 -1.537 3.854) 4.271 9.244 ( 1.964 2.009 -3.984) 4.875 9.290 ( 2.416 -2.445 -3.822) 5.140 ======================= Grid point 206 (116/116) ======================= q-point: (-0.12 0.43 0.43) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 1.470 9.404 5.159) 10.827 1.946 ( -0.134 3.260 1.964) 3.808 2.051 ( -1.615 5.864 2.575) 6.605 2.119 ( 3.825 -0.469 -0.440) 3.879 2.188 ( -1.090 -3.542 1.344) 3.942 2.209 ( -0.072 -3.687 -0.156) 3.691 2.345 ( 1.124 1.101 6.360) 6.552 2.381 ( 3.407 -3.015 5.116) 6.847 2.610 ( -0.216 1.060 -6.608) 6.696 2.662 ( -0.026 -4.434 -3.696) 5.772 2.678 ( 0.551 0.184 -3.230) 3.282 2.745 ( -0.399 -5.605 -3.152) 6.443 3.030 ( 2.631 0.993 0.111) 2.814 3.070 ( 1.005 -2.663 -1.411) 3.177 3.404 ( 3.601 2.254 -0.651) 4.298 3.442 ( 3.261 -1.391 -1.302) 3.777 3.619 ( 0.919 3.154 -1.590) 3.650 3.659 ( 0.225 -0.676 -1.720) 1.861 3.883 ( -1.249 6.682 3.888) 7.831 3.991 ( -1.565 -3.717 3.041) 5.051 4.096 ( -5.105 4.541 2.934) 7.436 4.196 ( -6.935 -5.006 1.375) 8.663 4.445 ( 1.552 3.069 -1.176) 3.635 4.491 ( -0.720 -1.472 -0.540) 1.726 6.496 ( 1.398 3.635 2.230) 4.488 6.564 ( 0.899 -1.255 0.644) 1.673 6.684 ( -0.173 2.138 6.114) 6.480 6.776 ( -2.360 -4.810 4.750) 7.161 7.043 ( 4.325 4.348 -0.496) 6.153 7.082 ( 1.620 0.736 -3.051) 3.532 7.167 ( 2.477 1.793 2.117) 3.719 7.228 ( 1.164 -3.536 -0.858) 3.820 7.408 ( -1.108 1.914 5.645) 6.063 7.417 ( -0.860 0.716 6.656) 6.749 7.618 ( -1.543 5.275 -2.090) 5.880 7.668 ( -1.496 0.371 -5.048) 5.278 7.784 ( -1.175 5.363 -2.934) 6.225 7.900 ( -0.555 -4.564 -8.740) 9.876 8.267 ( -2.424 1.400 0.256) 2.811 8.343 ( -3.215 -5.433 -1.752) 6.551 8.431 ( -0.526 0.521 5.526) 5.576 8.486 ( -0.621 -4.760 5.260) 7.121 8.675 ( 0.903 0.699 -7.897) 7.979 8.708 ( 1.337 -2.383 -6.950) 7.468 8.950 ( 3.721 1.884 5.662) 7.032 8.984 ( 4.179 -1.284 5.461) 6.995 9.255 ( 0.196 2.587 -4.156) 4.900 9.305 ( 0.056 -2.262 -4.343) 4.897 =================== 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 10.0 834.172 613.660 494.451 0.000 47.174 0.000 3/18816 20.0 113.755 125.717 88.841 0.000 6.484 0.000 3/18816 30.0 39.202 48.640 34.249 0.000 0.816 0.000 3/18816 40.0 21.542 28.277 19.984 0.000 0.077 0.000 3/18816 50.0 14.568 19.699 13.986 0.000 -0.082 0.000 3/18816 60.0 10.899 14.971 10.694 0.000 -0.115 0.000 3/18816 70.0 8.646 11.975 8.619 0.000 -0.113 0.000 3/18816 80.0 7.135 9.925 7.204 0.000 -0.102 0.000 3/18816 90.0 6.060 8.451 6.187 0.000 -0.090 0.000 3/18816 100.0 5.263 7.349 5.426 0.000 -0.079 0.000 3/18816 110.0 4.650 6.499 4.836 0.000 -0.069 0.000 3/18816 120.0 4.167 5.826 4.367 0.000 -0.061 0.000 3/18816 130.0 3.776 5.281 3.984 0.000 -0.054 0.000 3/18816 140.0 3.454 4.832 3.667 0.000 -0.049 0.000 3/18816 150.0 3.185 4.455 3.398 0.000 -0.044 0.000 3/18816 160.0 2.955 4.134 3.168 0.000 -0.040 0.000 3/18816 170.0 2.758 3.858 2.969 0.000 -0.037 0.000 3/18816 180.0 2.586 3.618 2.794 0.000 -0.034 0.000 3/18816 190.0 2.435 3.407 2.640 0.000 -0.031 0.000 3/18816 200.0 2.301 3.220 2.502 0.000 -0.029 0.000 3/18816 210.0 2.182 3.053 2.379 0.000 -0.027 0.000 3/18816 220.0 2.074 2.903 2.267 0.000 -0.026 0.000 3/18816 230.0 1.978 2.767 2.166 0.000 -0.024 0.000 3/18816 240.0 1.890 2.644 2.074 0.000 -0.023 0.000 3/18816 250.0 1.809 2.532 1.989 0.000 -0.022 0.000 3/18816 260.0 1.736 2.429 1.911 0.000 -0.020 0.000 3/18816 270.0 1.668 2.334 1.839 0.000 -0.020 0.000 3/18816 280.0 1.606 2.247 1.773 0.000 -0.019 0.000 3/18816 290.0 1.548 2.166 1.711 0.000 -0.018 0.000 3/18816 300.0 1.494 2.091 1.654 0.000 -0.017 0.000 3/18816 310.0 1.444 2.021 1.600 0.000 -0.016 0.000 3/18816 320.0 1.398 1.956 1.550 0.000 -0.016 0.000 3/18816 330.0 1.354 1.894 1.502 0.000 -0.015 0.000 3/18816 340.0 1.313 1.837 1.458 0.000 -0.015 0.000 3/18816 350.0 1.274 1.783 1.416 0.000 -0.014 0.000 3/18816 360.0 1.238 1.732 1.377 0.000 -0.014 0.000 3/18816 370.0 1.204 1.684 1.340 0.000 -0.013 0.000 3/18816 380.0 1.171 1.639 1.304 0.000 -0.013 0.000 3/18816 390.0 1.140 1.596 1.271 0.000 -0.013 0.000 3/18816 400.0 1.111 1.555 1.239 0.000 -0.012 0.000 3/18816 410.0 1.084 1.517 1.209 0.000 -0.012 0.000 3/18816 420.0 1.057 1.480 1.180 0.000 -0.012 0.000 3/18816 430.0 1.032 1.445 1.153 0.000 -0.011 0.000 3/18816 440.0 1.009 1.412 1.127 0.000 -0.011 0.000 3/18816 450.0 0.986 1.380 1.102 0.000 -0.011 0.000 3/18816 460.0 0.964 1.349 1.078 0.000 -0.010 0.000 3/18816 470.0 0.943 1.320 1.055 0.000 -0.010 0.000 3/18816 480.0 0.923 1.292 1.033 0.000 -0.010 0.000 3/18816 490.0 0.904 1.266 1.012 0.000 -0.010 0.000 3/18816 500.0 0.886 1.240 0.992 0.000 -0.009 0.000 3/18816 510.0 0.869 1.216 0.972 0.000 -0.009 0.000 3/18816 520.0 0.852 1.192 0.954 0.000 -0.009 0.000 3/18816 530.0 0.835 1.169 0.936 0.000 -0.009 0.000 3/18816 540.0 0.820 1.147 0.918 0.000 -0.009 0.000 3/18816 550.0 0.805 1.126 0.902 0.000 -0.009 0.000 3/18816 560.0 0.790 1.106 0.886 0.000 -0.008 0.000 3/18816 570.0 0.776 1.087 0.870 0.000 -0.008 0.000 3/18816 580.0 0.763 1.068 0.855 0.000 -0.008 0.000 3/18816 590.0 0.750 1.049 0.841 0.000 -0.008 0.000 3/18816 600.0 0.737 1.032 0.827 0.000 -0.008 0.000 3/18816 610.0 0.725 1.015 0.813 0.000 -0.008 0.000 3/18816 620.0 0.713 0.998 0.800 0.000 -0.008 0.000 3/18816 630.0 0.702 0.982 0.788 0.000 -0.007 0.000 3/18816 640.0 0.691 0.967 0.775 0.000 -0.007 0.000 3/18816 650.0 0.680 0.952 0.764 0.000 -0.007 0.000 3/18816 660.0 0.670 0.938 0.752 0.000 -0.007 0.000 3/18816 670.0 0.660 0.924 0.741 0.000 -0.007 0.000 3/18816 680.0 0.650 0.910 0.730 0.000 -0.007 0.000 3/18816 690.0 0.641 0.897 0.719 0.000 -0.007 0.000 3/18816 700.0 0.631 0.884 0.709 0.000 -0.007 0.000 3/18816 710.0 0.622 0.871 0.699 0.000 -0.007 0.000 3/18816 720.0 0.614 0.859 0.690 0.000 -0.006 0.000 3/18816 730.0 0.605 0.847 0.680 0.000 -0.006 0.000 3/18816 740.0 0.597 0.836 0.671 0.000 -0.006 0.000 3/18816 750.0 0.589 0.825 0.662 0.000 -0.006 0.000 3/18816 760.0 0.581 0.814 0.653 0.000 -0.006 0.000 3/18816 770.0 0.574 0.803 0.645 0.000 -0.006 0.000 3/18816 780.0 0.566 0.793 0.637 0.000 -0.006 0.000 3/18816 790.0 0.559 0.783 0.629 0.000 -0.006 0.000 3/18816 800.0 0.552 0.773 0.621 0.000 -0.006 0.000 3/18816 810.0 0.545 0.763 0.613 0.000 -0.006 0.000 3/18816 820.0 0.539 0.754 0.606 0.000 -0.006 0.000 3/18816 830.0 0.532 0.745 0.599 0.000 -0.006 0.000 3/18816 840.0 0.526 0.736 0.591 0.000 -0.005 0.000 3/18816 850.0 0.520 0.727 0.585 0.000 -0.005 0.000 3/18816 860.0 0.514 0.719 0.578 0.000 -0.005 0.000 3/18816 870.0 0.508 0.711 0.571 0.000 -0.005 0.000 3/18816 880.0 0.502 0.703 0.565 0.000 -0.005 0.000 3/18816 890.0 0.496 0.695 0.558 0.000 -0.005 0.000 3/18816 900.0 0.491 0.687 0.552 0.000 -0.005 0.000 3/18816 910.0 0.485 0.679 0.546 0.000 -0.005 0.000 3/18816 920.0 0.480 0.672 0.540 0.000 -0.005 0.000 3/18816 930.0 0.475 0.665 0.534 0.000 -0.005 0.000 3/18816 940.0 0.470 0.658 0.529 0.000 -0.005 0.000 3/18816 950.0 0.465 0.651 0.523 0.000 -0.005 0.000 3/18816 960.0 0.460 0.644 0.518 0.000 -0.005 0.000 3/18816 970.0 0.455 0.637 0.512 0.000 -0.005 0.000 3/18816 980.0 0.451 0.631 0.507 0.000 -0.005 0.000 3/18816 990.0 0.446 0.625 0.502 0.000 -0.005 0.000 3/18816 1000.0 0.442 0.618 0.497 0.000 -0.005 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m877.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:45:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|