----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:41:34]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.279532750700621 0.000000000000000 0.000000000000000 b 0.000000000000000 5.773494670000000 0.000000000000000 c -5.867011647266112 0.000000000000000 10.997977475030275 Atomic positions (fractional): *1 F 0.78478433239895 0.04057100667705 0.45722293833716 18.998 2 F 0.21521566760105 0.54057100667705 0.04277706166284 18.998 3 F 0.21521566760105 0.95942899332295 0.54277706166284 18.998 4 F 0.78478433239895 0.45942899332295 0.95722293833716 18.998 *5 F 0.78910024075934 0.94692868140315 0.91998207106954 18.998 6 F 0.21089975924067 0.44692868140315 0.58001792893046 18.998 7 F 0.21089975924067 0.05307131859685 0.08001792893046 18.998 8 F 0.78910024075934 0.55307131859685 0.41998207106954 18.998 *9 F 0.98583314723134 0.26539064980676 0.86130122985789 18.998 10 F 0.01416685276866 0.76539064980676 0.63869877014211 18.998 11 F 0.01416685276866 0.73460935019324 0.13869877014211 18.998 12 F 0.98583314723134 0.23460935019324 0.36130122985789 18.998 *13 F 0.46817774176993 0.26082480066746 0.05243339370155 18.998 14 F 0.53182225823007 0.76082480066746 0.44756660629845 18.998 15 F 0.53182225823007 0.73917519933254 0.94756660629845 18.998 16 F 0.46817774176993 0.23917519933254 0.55243339370155 18.998 *17 F 0.75739544385195 0.95081397662494 0.66802593675434 18.998 18 F 0.24260455614805 0.45081397662494 0.83197406324566 18.998 19 F 0.24260455614805 0.04918602337506 0.33197406324566 18.998 20 F 0.75739544385195 0.54918602337506 0.16802593675434 18.998 *21 F 0.23105140775965 0.98003817227338 0.86376174264655 18.998 22 F 0.76894859224035 0.48003817227338 0.63623825735345 18.998 23 F 0.76894859224035 0.01996182772662 0.13623825735345 18.998 24 F 0.23105140775965 0.51996182772662 0.36376174264655 18.998 *25 F 0.53412375210257 0.90889517187101 0.23276010684652 18.998 26 F 0.46587624789743 0.40889517187101 0.26723989315348 18.998 27 F 0.46587624789743 0.09110482812899 0.76723989315348 18.998 28 F 0.53412375210257 0.59110482812899 0.73276010684652 18.998 *29 Sn 0.77316041120651 0.75528171219478 0.54248258079043 118.710 30 Sn 0.22683958879349 0.25528171219478 0.95751741920957 118.710 31 Sn 0.22683958879349 0.24471828780522 0.45751741920957 118.710 32 Sn 0.77316041120651 0.74471828780522 0.04248258079043 118.710 *33 La 0.68889783104216 0.24166727829024 0.26504784562645 138.905 34 La 0.31110216895784 0.74166727829024 0.23495215437355 138.905 35 La 0.31110216895784 0.75833272170976 0.73495215437355 138.905 36 La 0.68889783104216 0.25833272170976 0.76504784562645 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.279532750700621 0.000000000000000 0.000000000000000 b 0.000000000000000 5.773494670000000 0.000000000000000 c -5.867011647266112 0.000000000000000 10.997977475030275 Atomic positions (fractional): *1 F 0.78478433239895 0.04057100667705 0.45722293833716 18.998 > 1 2 F 0.21521566760105 0.54057100667705 0.04277706166284 18.998 > 2 3 F 0.21521566760105 0.95942899332295 0.54277706166284 18.998 > 3 4 F 0.78478433239895 0.45942899332295 0.95722293833716 18.998 > 4 *5 F 0.78910024075934 0.94692868140315 0.91998207106954 18.998 > 5 6 F 0.21089975924067 0.44692868140315 0.58001792893046 18.998 > 6 7 F 0.21089975924067 0.05307131859685 0.08001792893046 18.998 > 7 8 F 0.78910024075934 0.55307131859685 0.41998207106954 18.998 > 8 *9 F 0.98583314723134 0.26539064980676 0.86130122985789 18.998 > 9 10 F 0.01416685276866 0.76539064980676 0.63869877014211 18.998 > 10 11 F 0.01416685276866 0.73460935019324 0.13869877014211 18.998 > 11 12 F 0.98583314723134 0.23460935019324 0.36130122985789 18.998 > 12 *13 F 0.46817774176993 0.26082480066746 0.05243339370155 18.998 > 13 14 F 0.53182225823007 0.76082480066746 0.44756660629845 18.998 > 14 15 F 0.53182225823007 0.73917519933254 0.94756660629845 18.998 > 15 16 F 0.46817774176993 0.23917519933254 0.55243339370155 18.998 > 16 *17 F 0.75739544385195 0.95081397662494 0.66802593675434 18.998 > 17 18 F 0.24260455614805 0.45081397662494 0.83197406324566 18.998 > 18 19 F 0.24260455614805 0.04918602337506 0.33197406324566 18.998 > 19 20 F 0.75739544385195 0.54918602337506 0.16802593675434 18.998 > 20 *21 F 0.23105140775965 0.98003817227338 0.86376174264655 18.998 > 21 22 F 0.76894859224035 0.48003817227338 0.63623825735345 18.998 > 22 23 F 0.76894859224035 0.01996182772662 0.13623825735345 18.998 > 23 24 F 0.23105140775965 0.51996182772662 0.36376174264655 18.998 > 24 *25 F 0.53412375210257 0.90889517187101 0.23276010684652 18.998 > 25 26 F 0.46587624789743 0.40889517187101 0.26723989315348 18.998 > 26 27 F 0.46587624789743 0.09110482812899 0.76723989315348 18.998 > 27 28 F 0.53412375210257 0.59110482812899 0.73276010684652 18.998 > 28 *29 Sn 0.77316041120651 0.75528171219478 0.54248258079043 118.710 > 29 30 Sn 0.22683958879349 0.25528171219478 0.95751741920957 118.710 > 30 31 Sn 0.22683958879349 0.24471828780522 0.45751741920957 118.710 > 31 32 Sn 0.77316041120651 0.74471828780522 0.04248258079043 118.710 > 32 *33 La 0.68889783104216 0.24166727829024 0.26504784562645 138.905 > 33 34 La 0.31110216895784 0.74166727829024 0.23495215437355 138.905 > 34 35 La 0.31110216895784 0.75833272170976 0.73495215437355 138.905 > 35 36 La 0.68889783104216 0.25833272170976 0.76504784562645 138.905 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.559065501401243 0.000000000000000 0.000000000000000 b 0.000000000000000 11.546989340000000 0.000000000000000 c -5.867011647266112 0.000000000000000 10.997977475030275 Atomic positions (fractional): *1 F 0.39239216619948 0.02028550333853 0.45722293833716 18.998 > 1 2 F 0.89239216619948 0.02028550333853 0.45722293833716 18.998 > 1 3 F 0.39239216619948 0.52028550333853 0.45722293833716 18.998 > 1 4 F 0.89239216619948 0.52028550333853 0.45722293833716 18.998 > 1 5 F 0.10760783380052 0.27028550333853 0.04277706166284 18.998 > 2 6 F 0.60760783380052 0.27028550333853 0.04277706166284 18.998 > 2 7 F 0.10760783380052 0.77028550333853 0.04277706166284 18.998 > 2 8 F 0.60760783380052 0.77028550333853 0.04277706166284 18.998 > 2 9 F 0.10760783380052 0.47971449666147 0.54277706166284 18.998 > 3 10 F 0.60760783380052 0.47971449666147 0.54277706166284 18.998 > 3 11 F 0.10760783380052 0.97971449666147 0.54277706166284 18.998 > 3 12 F 0.60760783380052 0.97971449666147 0.54277706166284 18.998 > 3 13 F 0.39239216619948 0.22971449666147 0.95722293833716 18.998 > 4 14 F 0.89239216619948 0.22971449666147 0.95722293833716 18.998 > 4 15 F 0.39239216619948 0.72971449666147 0.95722293833716 18.998 > 4 16 F 0.89239216619948 0.72971449666147 0.95722293833716 18.998 > 4 *17 F 0.39455012037967 0.47346434070157 0.91998207106954 18.998 > 5 18 F 0.89455012037967 0.47346434070157 0.91998207106954 18.998 > 5 19 F 0.39455012037967 0.97346434070157 0.91998207106954 18.998 > 5 20 F 0.89455012037967 0.97346434070157 0.91998207106954 18.998 > 5 21 F 0.10544987962033 0.22346434070157 0.58001792893046 18.998 > 6 22 F 0.60544987962033 0.22346434070157 0.58001792893046 18.998 > 6 23 F 0.10544987962033 0.72346434070157 0.58001792893046 18.998 > 6 24 F 0.60544987962033 0.72346434070157 0.58001792893046 18.998 > 6 25 F 0.10544987962033 0.02653565929843 0.08001792893046 18.998 > 7 26 F 0.60544987962033 0.02653565929843 0.08001792893046 18.998 > 7 27 F 0.10544987962033 0.52653565929843 0.08001792893046 18.998 > 7 28 F 0.60544987962033 0.52653565929843 0.08001792893046 18.998 > 7 29 F 0.39455012037967 0.27653565929843 0.41998207106954 18.998 > 8 30 F 0.89455012037967 0.27653565929843 0.41998207106954 18.998 > 8 31 F 0.39455012037967 0.77653565929843 0.41998207106954 18.998 > 8 32 F 0.89455012037967 0.77653565929843 0.41998207106954 18.998 > 8 *33 F 0.49291657361567 0.13269532490338 0.86130122985789 18.998 > 9 34 F 0.99291657361567 0.13269532490338 0.86130122985789 18.998 > 9 35 F 0.49291657361567 0.63269532490338 0.86130122985789 18.998 > 9 36 F 0.99291657361567 0.63269532490338 0.86130122985789 18.998 > 9 37 F 0.00708342638433 0.38269532490338 0.63869877014211 18.998 > 10 38 F 0.50708342638433 0.38269532490338 0.63869877014211 18.998 > 10 39 F 0.00708342638433 0.88269532490338 0.63869877014211 18.998 > 10 40 F 0.50708342638433 0.88269532490338 0.63869877014211 18.998 > 10 41 F 0.00708342638433 0.36730467509662 0.13869877014211 18.998 > 11 42 F 0.50708342638433 0.36730467509662 0.13869877014211 18.998 > 11 43 F 0.00708342638433 0.86730467509662 0.13869877014211 18.998 > 11 44 F 0.50708342638433 0.86730467509662 0.13869877014211 18.998 > 11 45 F 0.49291657361567 0.11730467509662 0.36130122985789 18.998 > 12 46 F 0.99291657361567 0.11730467509662 0.36130122985789 18.998 > 12 47 F 0.49291657361567 0.61730467509662 0.36130122985789 18.998 > 12 48 F 0.99291657361567 0.61730467509662 0.36130122985789 18.998 > 12 *49 F 0.23408887088496 0.13041240033373 0.05243339370155 18.998 > 13 50 F 0.73408887088496 0.13041240033373 0.05243339370155 18.998 > 13 51 F 0.23408887088496 0.63041240033373 0.05243339370155 18.998 > 13 52 F 0.73408887088496 0.63041240033373 0.05243339370155 18.998 > 13 53 F 0.26591112911504 0.38041240033373 0.44756660629845 18.998 > 14 54 F 0.76591112911504 0.38041240033373 0.44756660629845 18.998 > 14 55 F 0.26591112911504 0.88041240033373 0.44756660629845 18.998 > 14 56 F 0.76591112911504 0.88041240033373 0.44756660629845 18.998 > 14 57 F 0.26591112911504 0.36958759966627 0.94756660629845 18.998 > 15 58 F 0.76591112911504 0.36958759966627 0.94756660629845 18.998 > 15 59 F 0.26591112911504 0.86958759966627 0.94756660629845 18.998 > 15 60 F 0.76591112911504 0.86958759966627 0.94756660629845 18.998 > 15 61 F 0.23408887088496 0.11958759966627 0.55243339370155 18.998 > 16 62 F 0.73408887088496 0.11958759966627 0.55243339370155 18.998 > 16 63 F 0.23408887088496 0.61958759966627 0.55243339370155 18.998 > 16 64 F 0.73408887088496 0.61958759966627 0.55243339370155 18.998 > 16 *65 F 0.37869772192598 0.47540698831247 0.66802593675434 18.998 > 17 66 F 0.87869772192598 0.47540698831247 0.66802593675434 18.998 > 17 67 F 0.37869772192598 0.97540698831247 0.66802593675434 18.998 > 17 68 F 0.87869772192598 0.97540698831247 0.66802593675434 18.998 > 17 69 F 0.12130227807402 0.22540698831247 0.83197406324566 18.998 > 18 70 F 0.62130227807402 0.22540698831247 0.83197406324566 18.998 > 18 71 F 0.12130227807402 0.72540698831247 0.83197406324566 18.998 > 18 72 F 0.62130227807402 0.72540698831247 0.83197406324566 18.998 > 18 73 F 0.12130227807402 0.02459301168753 0.33197406324566 18.998 > 19 74 F 0.62130227807402 0.02459301168753 0.33197406324566 18.998 > 19 75 F 0.12130227807402 0.52459301168753 0.33197406324566 18.998 > 19 76 F 0.62130227807402 0.52459301168753 0.33197406324566 18.998 > 19 77 F 0.37869772192598 0.27459301168753 0.16802593675434 18.998 > 20 78 F 0.87869772192598 0.27459301168753 0.16802593675434 18.998 > 20 79 F 0.37869772192598 0.77459301168753 0.16802593675434 18.998 > 20 80 F 0.87869772192598 0.77459301168753 0.16802593675434 18.998 > 20 *81 F 0.11552570387982 0.49001908613669 0.86376174264655 18.998 > 21 82 F 0.61552570387982 0.49001908613669 0.86376174264655 18.998 > 21 83 F 0.11552570387982 0.99001908613669 0.86376174264655 18.998 > 21 84 F 0.61552570387982 0.99001908613669 0.86376174264655 18.998 > 21 85 F 0.38447429612018 0.24001908613669 0.63623825735345 18.998 > 22 86 F 0.88447429612018 0.24001908613669 0.63623825735345 18.998 > 22 87 F 0.38447429612018 0.74001908613669 0.63623825735345 18.998 > 22 88 F 0.88447429612018 0.74001908613669 0.63623825735345 18.998 > 22 89 F 0.38447429612018 0.00998091386331 0.13623825735345 18.998 > 23 90 F 0.88447429612018 0.00998091386331 0.13623825735345 18.998 > 23 91 F 0.38447429612018 0.50998091386331 0.13623825735345 18.998 > 23 92 F 0.88447429612018 0.50998091386331 0.13623825735345 18.998 > 23 93 F 0.11552570387982 0.25998091386331 0.36376174264655 18.998 > 24 94 F 0.61552570387982 0.25998091386331 0.36376174264655 18.998 > 24 95 F 0.11552570387982 0.75998091386331 0.36376174264655 18.998 > 24 96 F 0.61552570387982 0.75998091386331 0.36376174264655 18.998 > 24 *97 F 0.26706187605128 0.45444758593550 0.23276010684652 18.998 > 25 98 F 0.76706187605128 0.45444758593550 0.23276010684652 18.998 > 25 99 F 0.26706187605128 0.95444758593550 0.23276010684652 18.998 > 25 100 F 0.76706187605128 0.95444758593550 0.23276010684652 18.998 > 25 101 F 0.23293812394872 0.20444758593550 0.26723989315348 18.998 > 26 102 F 0.73293812394872 0.20444758593550 0.26723989315348 18.998 > 26 103 F 0.23293812394872 0.70444758593550 0.26723989315348 18.998 > 26 104 F 0.73293812394872 0.70444758593550 0.26723989315348 18.998 > 26 105 F 0.23293812394872 0.04555241406450 0.76723989315348 18.998 > 27 106 F 0.73293812394872 0.04555241406450 0.76723989315348 18.998 > 27 107 F 0.23293812394872 0.54555241406450 0.76723989315348 18.998 > 27 108 F 0.73293812394872 0.54555241406450 0.76723989315348 18.998 > 27 109 F 0.26706187605128 0.29555241406450 0.73276010684652 18.998 > 28 110 F 0.76706187605128 0.29555241406450 0.73276010684652 18.998 > 28 111 F 0.26706187605128 0.79555241406450 0.73276010684652 18.998 > 28 112 F 0.76706187605128 0.79555241406450 0.73276010684652 18.998 > 28 *113 Sn 0.38658020560326 0.37764085609739 0.54248258079043 118.710 > 29 114 Sn 0.88658020560326 0.37764085609739 0.54248258079043 118.710 > 29 115 Sn 0.38658020560326 0.87764085609739 0.54248258079043 118.710 > 29 116 Sn 0.88658020560326 0.87764085609739 0.54248258079043 118.710 > 29 117 Sn 0.11341979439674 0.12764085609739 0.95751741920957 118.710 > 30 118 Sn 0.61341979439674 0.12764085609739 0.95751741920957 118.710 > 30 119 Sn 0.11341979439674 0.62764085609739 0.95751741920957 118.710 > 30 120 Sn 0.61341979439674 0.62764085609739 0.95751741920957 118.710 > 30 121 Sn 0.11341979439674 0.12235914390261 0.45751741920957 118.710 > 31 122 Sn 0.61341979439674 0.12235914390261 0.45751741920957 118.710 > 31 123 Sn 0.11341979439674 0.62235914390261 0.45751741920957 118.710 > 31 124 Sn 0.61341979439674 0.62235914390261 0.45751741920957 118.710 > 31 125 Sn 0.38658020560326 0.37235914390261 0.04248258079043 118.710 > 32 126 Sn 0.88658020560326 0.37235914390261 0.04248258079043 118.710 > 32 127 Sn 0.38658020560326 0.87235914390261 0.04248258079043 118.710 > 32 128 Sn 0.88658020560326 0.87235914390261 0.04248258079043 118.710 > 32 *129 La 0.34444891552108 0.12083363914512 0.26504784562645 138.905 > 33 130 La 0.84444891552108 0.12083363914512 0.26504784562645 138.905 > 33 131 La 0.34444891552108 0.62083363914512 0.26504784562645 138.905 > 33 132 La 0.84444891552108 0.62083363914512 0.26504784562645 138.905 > 33 133 La 0.15555108447892 0.37083363914512 0.23495215437355 138.905 > 34 134 La 0.65555108447892 0.37083363914512 0.23495215437355 138.905 > 34 135 La 0.15555108447892 0.87083363914512 0.23495215437355 138.905 > 34 136 La 0.65555108447892 0.87083363914512 0.23495215437355 138.905 > 34 137 La 0.15555108447892 0.37916636085488 0.73495215437355 138.905 > 35 138 La 0.65555108447892 0.37916636085488 0.73495215437355 138.905 > 35 139 La 0.15555108447892 0.87916636085488 0.73495215437355 138.905 > 35 140 La 0.65555108447892 0.87916636085488 0.73495215437355 138.905 > 35 141 La 0.34444891552108 0.12916636085488 0.76504784562645 138.905 > 36 142 La 0.84444891552108 0.12916636085488 0.76504784562645 138.905 > 36 143 La 0.34444891552108 0.62916636085488 0.76504784562645 138.905 > 36 144 La 0.84444891552108 0.62916636085488 0.76504784562645 138.905 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3113559 0.0000000 0.0122668 0.0000000 2.2963214 0.0000000 0.0123156 0.0000000 2.2971861 -------------------------- Born effective charges -------------------------- 1 F -0.7150386 -0.1785088 0.1335223 -0.1972270 -1.2811797 0.6064595 0.1515295 0.6081270 -1.3547307 2 F -0.7150386 0.1785088 0.1335223 0.1972270 -1.2811797 -0.6064595 0.1515295 -0.6081270 -1.3547307 3 F -0.7150386 -0.1785088 0.1335223 -0.1972270 -1.2811797 0.6064595 0.1515295 0.6081270 -1.3547307 4 F -0.7150386 0.1785088 0.1335223 0.1972270 -1.2811797 -0.6064595 0.1515295 -0.6081270 -1.3547307 5 F -0.7480212 -0.1656059 0.1567072 -0.1978930 -1.2626813 0.6036986 0.1630736 0.5937486 -1.3003301 6 F -0.7480212 0.1656059 0.1567072 0.1978930 -1.2626813 -0.6036986 0.1630736 -0.5937486 -1.3003301 7 F -0.7480212 -0.1656059 0.1567072 -0.1978930 -1.2626813 0.6036986 0.1630736 0.5937486 -1.3003301 8 F -0.7480212 0.1656059 0.1567072 0.1978930 -1.2626813 -0.6036986 0.1630736 -0.5937486 -1.3003301 9 F -1.9080220 0.0219086 -0.6834671 -0.0045663 -0.6567962 0.0143007 -0.6625132 -0.0036962 -1.0420405 10 F -1.9080220 -0.0219086 -0.6834671 0.0045663 -0.6567962 -0.0143007 -0.6625132 0.0036962 -1.0420405 11 F -1.9080220 0.0219086 -0.6834671 -0.0045663 -0.6567962 0.0143007 -0.6625132 -0.0036962 -1.0420405 12 F -1.9080220 -0.0219086 -0.6834671 0.0045663 -0.6567962 -0.0143007 -0.6625132 0.0036962 -1.0420405 13 F -1.0591493 -0.0072283 -0.4270963 0.0246550 -0.6720184 0.0343641 -0.4772195 0.0040303 -1.4013086 14 F -1.0591493 0.0072283 -0.4270963 -0.0246550 -0.6720184 -0.0343641 -0.4772195 -0.0040303 -1.4013086 15 F -1.0591493 -0.0072283 -0.4270963 0.0246550 -0.6720184 0.0343641 -0.4772195 0.0040303 -1.4013086 16 F -1.0591493 0.0072283 -0.4270963 -0.0246550 -0.6720184 -0.0343641 -0.4772195 -0.0040303 -1.4013086 17 F -1.0344315 0.4981106 0.4308399 0.4788816 -1.3285594 -0.5550840 0.4141016 -0.5515075 -1.1724602 18 F -1.0344315 -0.4981106 0.4308399 -0.4788816 -1.3285594 0.5550840 0.4141016 0.5515075 -1.1724602 19 F -1.0344315 0.4981106 0.4308399 0.4788816 -1.3285594 -0.5550840 0.4141016 -0.5515075 -1.1724602 20 F -1.0344315 -0.4981106 0.4308399 -0.4788816 -1.3285594 0.5550840 0.4141016 0.5515075 -1.1724602 21 F -1.0175923 0.4628430 0.4006632 0.4408702 -1.3076629 -0.5382139 0.3739021 -0.5247790 -1.1231052 22 F -1.0175923 -0.4628430 0.4006632 -0.4408702 -1.3076629 0.5382139 0.3739021 0.5247790 -1.1231052 23 F -1.0175923 0.4628430 0.4006632 0.4408702 -1.3076629 -0.5382139 0.3739021 -0.5247790 -1.1231052 24 F -1.0175923 -0.4628430 0.4006632 -0.4408702 -1.3076629 0.5382139 0.3739021 0.5247790 -1.1231052 25 F -1.6482633 -0.8104823 -0.0916903 -0.9013354 -1.5478858 -0.0768564 -0.0538142 -0.0415971 -0.6961713 26 F -1.6482633 0.8104823 -0.0916903 0.9013354 -1.5478858 0.0768564 -0.0538142 0.0415971 -0.6961713 27 F -1.6482633 -0.8104823 -0.0916903 -0.9013354 -1.5478858 -0.0768564 -0.0538142 -0.0415971 -0.6961713 28 F -1.6482633 0.8104823 -0.0916903 0.9013354 -1.5478858 0.0768564 -0.0538142 0.0415971 -0.6961713 29 Sn 3.7875719 0.0731080 -0.0210690 -0.0707476 3.8202688 0.1124770 0.0475043 -0.1431925 3.9858716 30 Sn 3.7875719 -0.0731080 -0.0210690 0.0707476 3.8202688 -0.1124770 0.0475043 0.1431925 3.9858716 31 Sn 3.7875719 0.0731080 -0.0210690 -0.0707476 3.8202688 0.1124770 0.0475043 -0.1431925 3.9858716 32 Sn 3.7875719 -0.0731080 -0.0210690 0.0707476 3.8202688 -0.1124770 0.0475043 0.1431925 3.9858716 33 La 4.3429463 0.2137920 0.1015900 -0.0891365 4.2365148 0.0829200 0.0434358 0.0354827 4.1042751 34 La 4.3429463 -0.2137920 0.1015900 0.0891365 4.2365148 -0.0829200 0.0434358 -0.0354827 4.1042751 35 La 4.3429463 0.2137920 0.1015900 -0.0891365 4.2365148 0.0829200 0.0434358 0.0354827 4.1042751 36 La 4.3429463 -0.2137920 0.1015900 0.0891365 4.2365148 -0.0829200 0.0434358 -0.0354827 4.1042751 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 1120 - Time: 3.504 Solver_block: 200 / 1120 - Time: 3.206 Solver_block: 300 / 1120 - Time: 3.250 Solver_block: 400 / 1120 - Time: 3.323 Solver_block: 500 / 1120 - Time: 3.434 Solver_block: 600 / 1120 - Time: 3.285 Solver_block: 700 / 1120 - Time: 3.280 Solver_block: 800 / 1120 - Time: 3.335 Solver_block: 900 / 1120 - Time: 3.142 Solver_block: 1000 / 1120 - Time: 3.250 Solver_block: 1100 / 1120 - Time: 3.429 Solver_block: 1120 / 1120 - Time: 0.856 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 37.945 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:43:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:43:23]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.279532750700621 0.000000000000000 0.000000000000000 b 0.000000000000000 5.773494670000000 0.000000000000000 c -5.867011647266112 0.000000000000000 10.997977475030275 Atomic positions (fractional): 1 F 0.78478433239895 0.04057100667705 0.45722293833716 18.998 2 F 0.21521566760105 0.54057100667705 0.04277706166284 18.998 3 F 0.21521566760105 0.95942899332295 0.54277706166284 18.998 4 F 0.78478433239895 0.45942899332295 0.95722293833716 18.998 5 F 0.78910024075934 0.94692868140315 0.91998207106954 18.998 6 F 0.21089975924067 0.44692868140315 0.58001792893046 18.998 7 F 0.21089975924067 0.05307131859685 0.08001792893046 18.998 8 F 0.78910024075934 0.55307131859685 0.41998207106954 18.998 9 F 0.98583314723134 0.26539064980676 0.86130122985789 18.998 10 F 0.01416685276866 0.76539064980676 0.63869877014211 18.998 11 F 0.01416685276866 0.73460935019324 0.13869877014211 18.998 12 F 0.98583314723134 0.23460935019324 0.36130122985789 18.998 13 F 0.46817774176993 0.26082480066746 0.05243339370155 18.998 14 F 0.53182225823007 0.76082480066746 0.44756660629845 18.998 15 F 0.53182225823007 0.73917519933254 0.94756660629845 18.998 16 F 0.46817774176993 0.23917519933254 0.55243339370155 18.998 17 F 0.75739544385195 0.95081397662494 0.66802593675434 18.998 18 F 0.24260455614805 0.45081397662494 0.83197406324566 18.998 19 F 0.24260455614805 0.04918602337506 0.33197406324566 18.998 20 F 0.75739544385195 0.54918602337506 0.16802593675434 18.998 21 F 0.23105140775965 0.98003817227338 0.86376174264655 18.998 22 F 0.76894859224035 0.48003817227338 0.63623825735345 18.998 23 F 0.76894859224035 0.01996182772662 0.13623825735345 18.998 24 F 0.23105140775965 0.51996182772662 0.36376174264655 18.998 25 F 0.53412375210257 0.90889517187101 0.23276010684652 18.998 26 F 0.46587624789743 0.40889517187101 0.26723989315348 18.998 27 F 0.46587624789743 0.09110482812899 0.76723989315348 18.998 28 F 0.53412375210257 0.59110482812899 0.73276010684652 18.998 29 Sn 0.77316041120651 0.75528171219478 0.54248258079043 118.710 30 Sn 0.22683958879349 0.25528171219478 0.95751741920957 118.710 31 Sn 0.22683958879349 0.24471828780522 0.45751741920957 118.710 32 Sn 0.77316041120651 0.74471828780522 0.04248258079043 118.710 33 La 0.68889783104216 0.24166727829024 0.26504784562645 138.905 34 La 0.31110216895784 0.74166727829024 0.23495215437355 138.905 35 La 0.31110216895784 0.75833272170976 0.73495215437355 138.905 36 La 0.68889783104216 0.25833272170976 0.76504784562645 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.559065501401243 0.000000000000000 0.000000000000000 b 0.000000000000000 11.546989340000000 0.000000000000000 c -5.867011647266112 0.000000000000000 10.997977475030275 Atomic positions (fractional): 1 F 0.39239216619948 0.02028550333853 0.45722293833716 18.998 > 1 2 F 0.89239216619948 0.02028550333853 0.45722293833716 18.998 > 1 3 F 0.39239216619948 0.52028550333853 0.45722293833716 18.998 > 1 4 F 0.89239216619948 0.52028550333853 0.45722293833716 18.998 > 1 5 F 0.10760783380052 0.27028550333853 0.04277706166284 18.998 > 5 6 F 0.60760783380052 0.27028550333853 0.04277706166284 18.998 > 5 7 F 0.10760783380052 0.77028550333853 0.04277706166284 18.998 > 5 8 F 0.60760783380052 0.77028550333853 0.04277706166284 18.998 > 5 9 F 0.10760783380052 0.47971449666147 0.54277706166284 18.998 > 9 10 F 0.60760783380052 0.47971449666147 0.54277706166284 18.998 > 9 11 F 0.10760783380052 0.97971449666147 0.54277706166284 18.998 > 9 12 F 0.60760783380052 0.97971449666147 0.54277706166284 18.998 > 9 13 F 0.39239216619948 0.22971449666147 0.95722293833716 18.998 > 13 14 F 0.89239216619948 0.22971449666147 0.95722293833716 18.998 > 13 15 F 0.39239216619948 0.72971449666147 0.95722293833716 18.998 > 13 16 F 0.89239216619948 0.72971449666147 0.95722293833716 18.998 > 13 17 F 0.39455012037967 0.47346434070157 0.91998207106954 18.998 > 17 18 F 0.89455012037967 0.47346434070157 0.91998207106954 18.998 > 17 19 F 0.39455012037967 0.97346434070157 0.91998207106954 18.998 > 17 20 F 0.89455012037967 0.97346434070157 0.91998207106954 18.998 > 17 21 F 0.10544987962033 0.22346434070157 0.58001792893046 18.998 > 21 22 F 0.60544987962033 0.22346434070157 0.58001792893046 18.998 > 21 23 F 0.10544987962033 0.72346434070157 0.58001792893046 18.998 > 21 24 F 0.60544987962033 0.72346434070157 0.58001792893046 18.998 > 21 25 F 0.10544987962033 0.02653565929843 0.08001792893046 18.998 > 25 26 F 0.60544987962033 0.02653565929843 0.08001792893046 18.998 > 25 27 F 0.10544987962033 0.52653565929843 0.08001792893046 18.998 > 25 28 F 0.60544987962033 0.52653565929843 0.08001792893046 18.998 > 25 29 F 0.39455012037967 0.27653565929843 0.41998207106954 18.998 > 29 30 F 0.89455012037967 0.27653565929843 0.41998207106954 18.998 > 29 31 F 0.39455012037967 0.77653565929843 0.41998207106954 18.998 > 29 32 F 0.89455012037967 0.77653565929843 0.41998207106954 18.998 > 29 33 F 0.49291657361567 0.13269532490338 0.86130122985789 18.998 > 33 34 F 0.99291657361567 0.13269532490338 0.86130122985789 18.998 > 33 35 F 0.49291657361567 0.63269532490338 0.86130122985789 18.998 > 33 36 F 0.99291657361567 0.63269532490338 0.86130122985789 18.998 > 33 37 F 0.00708342638433 0.38269532490338 0.63869877014211 18.998 > 37 38 F 0.50708342638433 0.38269532490338 0.63869877014211 18.998 > 37 39 F 0.00708342638433 0.88269532490338 0.63869877014211 18.998 > 37 40 F 0.50708342638433 0.88269532490338 0.63869877014211 18.998 > 37 41 F 0.00708342638433 0.36730467509662 0.13869877014211 18.998 > 41 42 F 0.50708342638433 0.36730467509662 0.13869877014211 18.998 > 41 43 F 0.00708342638433 0.86730467509662 0.13869877014211 18.998 > 41 44 F 0.50708342638433 0.86730467509662 0.13869877014211 18.998 > 41 45 F 0.49291657361567 0.11730467509662 0.36130122985789 18.998 > 45 46 F 0.99291657361567 0.11730467509662 0.36130122985789 18.998 > 45 47 F 0.49291657361567 0.61730467509662 0.36130122985789 18.998 > 45 48 F 0.99291657361567 0.61730467509662 0.36130122985789 18.998 > 45 49 F 0.23408887088496 0.13041240033373 0.05243339370155 18.998 > 49 50 F 0.73408887088496 0.13041240033373 0.05243339370155 18.998 > 49 51 F 0.23408887088496 0.63041240033373 0.05243339370155 18.998 > 49 52 F 0.73408887088496 0.63041240033373 0.05243339370155 18.998 > 49 53 F 0.26591112911504 0.38041240033373 0.44756660629845 18.998 > 53 54 F 0.76591112911504 0.38041240033373 0.44756660629845 18.998 > 53 55 F 0.26591112911504 0.88041240033373 0.44756660629845 18.998 > 53 56 F 0.76591112911504 0.88041240033373 0.44756660629845 18.998 > 53 57 F 0.26591112911504 0.36958759966627 0.94756660629845 18.998 > 57 58 F 0.76591112911504 0.36958759966627 0.94756660629845 18.998 > 57 59 F 0.26591112911504 0.86958759966627 0.94756660629845 18.998 > 57 60 F 0.76591112911504 0.86958759966627 0.94756660629845 18.998 > 57 61 F 0.23408887088496 0.11958759966627 0.55243339370155 18.998 > 61 62 F 0.73408887088496 0.11958759966627 0.55243339370155 18.998 > 61 63 F 0.23408887088496 0.61958759966627 0.55243339370155 18.998 > 61 64 F 0.73408887088496 0.61958759966627 0.55243339370155 18.998 > 61 65 F 0.37869772192598 0.47540698831247 0.66802593675434 18.998 > 65 66 F 0.87869772192598 0.47540698831247 0.66802593675434 18.998 > 65 67 F 0.37869772192598 0.97540698831247 0.66802593675434 18.998 > 65 68 F 0.87869772192598 0.97540698831247 0.66802593675434 18.998 > 65 69 F 0.12130227807402 0.22540698831247 0.83197406324566 18.998 > 69 70 F 0.62130227807402 0.22540698831247 0.83197406324566 18.998 > 69 71 F 0.12130227807402 0.72540698831247 0.83197406324566 18.998 > 69 72 F 0.62130227807402 0.72540698831247 0.83197406324566 18.998 > 69 73 F 0.12130227807402 0.02459301168753 0.33197406324566 18.998 > 73 74 F 0.62130227807402 0.02459301168753 0.33197406324566 18.998 > 73 75 F 0.12130227807402 0.52459301168753 0.33197406324566 18.998 > 73 76 F 0.62130227807402 0.52459301168753 0.33197406324566 18.998 > 73 77 F 0.37869772192598 0.27459301168753 0.16802593675434 18.998 > 77 78 F 0.87869772192598 0.27459301168753 0.16802593675434 18.998 > 77 79 F 0.37869772192598 0.77459301168753 0.16802593675434 18.998 > 77 80 F 0.87869772192598 0.77459301168753 0.16802593675434 18.998 > 77 81 F 0.11552570387982 0.49001908613669 0.86376174264655 18.998 > 81 82 F 0.61552570387982 0.49001908613669 0.86376174264655 18.998 > 81 83 F 0.11552570387982 0.99001908613669 0.86376174264655 18.998 > 81 84 F 0.61552570387982 0.99001908613669 0.86376174264655 18.998 > 81 85 F 0.38447429612018 0.24001908613669 0.63623825735345 18.998 > 85 86 F 0.88447429612018 0.24001908613669 0.63623825735345 18.998 > 85 87 F 0.38447429612018 0.74001908613669 0.63623825735345 18.998 > 85 88 F 0.88447429612018 0.74001908613669 0.63623825735345 18.998 > 85 89 F 0.38447429612018 0.00998091386331 0.13623825735345 18.998 > 89 90 F 0.88447429612018 0.00998091386331 0.13623825735345 18.998 > 89 91 F 0.38447429612018 0.50998091386331 0.13623825735345 18.998 > 89 92 F 0.88447429612018 0.50998091386331 0.13623825735345 18.998 > 89 93 F 0.11552570387982 0.25998091386331 0.36376174264655 18.998 > 93 94 F 0.61552570387982 0.25998091386331 0.36376174264655 18.998 > 93 95 F 0.11552570387982 0.75998091386331 0.36376174264655 18.998 > 93 96 F 0.61552570387982 0.75998091386331 0.36376174264655 18.998 > 93 97 F 0.26706187605128 0.45444758593550 0.23276010684652 18.998 > 97 98 F 0.76706187605128 0.45444758593550 0.23276010684652 18.998 > 97 99 F 0.26706187605128 0.95444758593550 0.23276010684652 18.998 > 97 100 F 0.76706187605128 0.95444758593550 0.23276010684652 18.998 > 97 101 F 0.23293812394872 0.20444758593550 0.26723989315348 18.998 > 101 102 F 0.73293812394872 0.20444758593550 0.26723989315348 18.998 > 101 103 F 0.23293812394872 0.70444758593550 0.26723989315348 18.998 > 101 104 F 0.73293812394872 0.70444758593550 0.26723989315348 18.998 > 101 105 F 0.23293812394872 0.04555241406450 0.76723989315348 18.998 > 105 106 F 0.73293812394872 0.04555241406450 0.76723989315348 18.998 > 105 107 F 0.23293812394872 0.54555241406450 0.76723989315348 18.998 > 105 108 F 0.73293812394872 0.54555241406450 0.76723989315348 18.998 > 105 109 F 0.26706187605128 0.29555241406450 0.73276010684652 18.998 > 109 110 F 0.76706187605128 0.29555241406450 0.73276010684652 18.998 > 109 111 F 0.26706187605128 0.79555241406450 0.73276010684652 18.998 > 109 112 F 0.76706187605128 0.79555241406450 0.73276010684652 18.998 > 109 113 Sn 0.38658020560326 0.37764085609739 0.54248258079043 118.710 > 113 114 Sn 0.88658020560326 0.37764085609739 0.54248258079043 118.710 > 113 115 Sn 0.38658020560326 0.87764085609739 0.54248258079043 118.710 > 113 116 Sn 0.88658020560326 0.87764085609739 0.54248258079043 118.710 > 113 117 Sn 0.11341979439674 0.12764085609739 0.95751741920957 118.710 > 117 118 Sn 0.61341979439674 0.12764085609739 0.95751741920957 118.710 > 117 119 Sn 0.11341979439674 0.62764085609739 0.95751741920957 118.710 > 117 120 Sn 0.61341979439674 0.62764085609739 0.95751741920957 118.710 > 117 121 Sn 0.11341979439674 0.12235914390261 0.45751741920957 118.710 > 121 122 Sn 0.61341979439674 0.12235914390261 0.45751741920957 118.710 > 121 123 Sn 0.11341979439674 0.62235914390261 0.45751741920957 118.710 > 121 124 Sn 0.61341979439674 0.62235914390261 0.45751741920957 118.710 > 121 125 Sn 0.38658020560326 0.37235914390261 0.04248258079043 118.710 > 125 126 Sn 0.88658020560326 0.37235914390261 0.04248258079043 118.710 > 125 127 Sn 0.38658020560326 0.87235914390261 0.04248258079043 118.710 > 125 128 Sn 0.88658020560326 0.87235914390261 0.04248258079043 118.710 > 125 129 La 0.34444891552108 0.12083363914512 0.26504784562645 138.905 > 129 130 La 0.84444891552108 0.12083363914512 0.26504784562645 138.905 > 129 131 La 0.34444891552108 0.62083363914512 0.26504784562645 138.905 > 129 132 La 0.84444891552108 0.62083363914512 0.26504784562645 138.905 > 129 133 La 0.15555108447892 0.37083363914512 0.23495215437355 138.905 > 133 134 La 0.65555108447892 0.37083363914512 0.23495215437355 138.905 > 133 135 La 0.15555108447892 0.87083363914512 0.23495215437355 138.905 > 133 136 La 0.65555108447892 0.87083363914512 0.23495215437355 138.905 > 133 137 La 0.15555108447892 0.37916636085488 0.73495215437355 138.905 > 137 138 La 0.65555108447892 0.37916636085488 0.73495215437355 138.905 > 137 139 La 0.15555108447892 0.87916636085488 0.73495215437355 138.905 > 137 140 La 0.65555108447892 0.87916636085488 0.73495215437355 138.905 > 137 141 La 0.34444891552108 0.12916636085488 0.76504784562645 138.905 > 141 142 La 0.84444891552108 0.12916636085488 0.76504784562645 138.905 > 141 143 La 0.34444891552108 0.62916636085488 0.76504784562645 138.905 > 141 144 La 0.84444891552108 0.62916636085488 0.76504784562645 138.905 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3113559 0.0000000 0.0122668 0.0000000 2.2963214 0.0000000 0.0123156 0.0000000 2.2971861 -------------------------- Born effective charges -------------------------- 1 F -0.7150386 -0.1785088 0.1335223 -0.1972270 -1.2811797 0.6064595 0.1515295 0.6081270 -1.3547307 2 F -0.7150386 0.1785088 0.1335223 0.1972270 -1.2811797 -0.6064595 0.1515295 -0.6081270 -1.3547307 3 F -0.7150386 -0.1785088 0.1335223 -0.1972270 -1.2811797 0.6064595 0.1515295 0.6081270 -1.3547307 4 F -0.7150386 0.1785088 0.1335223 0.1972270 -1.2811797 -0.6064595 0.1515295 -0.6081270 -1.3547307 5 F -0.7480212 -0.1656059 0.1567072 -0.1978930 -1.2626813 0.6036986 0.1630736 0.5937486 -1.3003301 6 F -0.7480212 0.1656059 0.1567072 0.1978930 -1.2626813 -0.6036986 0.1630736 -0.5937486 -1.3003301 7 F -0.7480212 -0.1656059 0.1567072 -0.1978930 -1.2626813 0.6036986 0.1630736 0.5937486 -1.3003301 8 F -0.7480212 0.1656059 0.1567072 0.1978930 -1.2626813 -0.6036986 0.1630736 -0.5937486 -1.3003301 9 F -1.9080220 0.0219086 -0.6834671 -0.0045663 -0.6567962 0.0143007 -0.6625132 -0.0036962 -1.0420405 10 F -1.9080220 -0.0219086 -0.6834671 0.0045663 -0.6567962 -0.0143007 -0.6625132 0.0036962 -1.0420405 11 F -1.9080220 0.0219086 -0.6834671 -0.0045663 -0.6567962 0.0143007 -0.6625132 -0.0036962 -1.0420405 12 F -1.9080220 -0.0219086 -0.6834671 0.0045663 -0.6567962 -0.0143007 -0.6625132 0.0036962 -1.0420405 13 F -1.0591493 -0.0072283 -0.4270963 0.0246550 -0.6720184 0.0343641 -0.4772195 0.0040303 -1.4013086 14 F -1.0591493 0.0072283 -0.4270963 -0.0246550 -0.6720184 -0.0343641 -0.4772195 -0.0040303 -1.4013086 15 F -1.0591493 -0.0072283 -0.4270963 0.0246550 -0.6720184 0.0343641 -0.4772195 0.0040303 -1.4013086 16 F -1.0591493 0.0072283 -0.4270963 -0.0246550 -0.6720184 -0.0343641 -0.4772195 -0.0040303 -1.4013086 17 F -1.0344315 0.4981106 0.4308399 0.4788816 -1.3285594 -0.5550840 0.4141016 -0.5515075 -1.1724602 18 F -1.0344315 -0.4981106 0.4308399 -0.4788816 -1.3285594 0.5550840 0.4141016 0.5515075 -1.1724602 19 F -1.0344315 0.4981106 0.4308399 0.4788816 -1.3285594 -0.5550840 0.4141016 -0.5515075 -1.1724602 20 F -1.0344315 -0.4981106 0.4308399 -0.4788816 -1.3285594 0.5550840 0.4141016 0.5515075 -1.1724602 21 F -1.0175923 0.4628430 0.4006632 0.4408702 -1.3076629 -0.5382139 0.3739021 -0.5247790 -1.1231052 22 F -1.0175923 -0.4628430 0.4006632 -0.4408702 -1.3076629 0.5382139 0.3739021 0.5247790 -1.1231052 23 F -1.0175923 0.4628430 0.4006632 0.4408702 -1.3076629 -0.5382139 0.3739021 -0.5247790 -1.1231052 24 F -1.0175923 -0.4628430 0.4006632 -0.4408702 -1.3076629 0.5382139 0.3739021 0.5247790 -1.1231052 25 F -1.6482633 -0.8104823 -0.0916903 -0.9013354 -1.5478858 -0.0768564 -0.0538142 -0.0415971 -0.6961713 26 F -1.6482633 0.8104823 -0.0916903 0.9013354 -1.5478858 0.0768564 -0.0538142 0.0415971 -0.6961713 27 F -1.6482633 -0.8104823 -0.0916903 -0.9013354 -1.5478858 -0.0768564 -0.0538142 -0.0415971 -0.6961713 28 F -1.6482633 0.8104823 -0.0916903 0.9013354 -1.5478858 0.0768564 -0.0538142 0.0415971 -0.6961713 29 Sn 3.7875719 0.0731080 -0.0210690 -0.0707476 3.8202688 0.1124770 0.0475043 -0.1431925 3.9858716 30 Sn 3.7875719 -0.0731080 -0.0210690 0.0707476 3.8202688 -0.1124770 0.0475043 0.1431925 3.9858716 31 Sn 3.7875719 0.0731080 -0.0210690 -0.0707476 3.8202688 0.1124770 0.0475043 -0.1431925 3.9858716 32 Sn 3.7875719 -0.0731080 -0.0210690 0.0707476 3.8202688 -0.1124770 0.0475043 0.1431925 3.9858716 33 La 4.3429463 0.2137920 0.1015900 -0.0891365 4.2365148 0.0829200 0.0434358 0.0354827 4.1042751 34 La 4.3429463 -0.2137920 0.1015900 0.0891365 4.2365148 -0.0829200 0.0434358 -0.0354827 4.1042751 35 La 4.3429463 0.2137920 0.1015900 -0.0891365 4.2365148 0.0829200 0.0434358 0.0354827 4.1042751 36 La 4.3429463 -0.2137920 0.1015900 0.0891365 4.2365148 -0.0829200 0.0434358 -0.0354827 4.1042751 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 113, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 129, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:44:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:44:35]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.279532750700621 0.000000000000000 0.000000000000000 b 0.000000000000000 5.773494670000000 0.000000000000000 c -5.867011647266112 0.000000000000000 10.997977475030275 Atomic positions (fractional): 1 F 0.78478433239895 0.04057100667705 0.45722293833716 18.998 2 F 0.21521566760105 0.54057100667705 0.04277706166284 18.998 3 F 0.21521566760105 0.95942899332295 0.54277706166284 18.998 4 F 0.78478433239895 0.45942899332295 0.95722293833716 18.998 5 F 0.78910024075934 0.94692868140315 0.91998207106954 18.998 6 F 0.21089975924067 0.44692868140315 0.58001792893046 18.998 7 F 0.21089975924067 0.05307131859685 0.08001792893046 18.998 8 F 0.78910024075934 0.55307131859685 0.41998207106954 18.998 9 F 0.98583314723134 0.26539064980676 0.86130122985789 18.998 10 F 0.01416685276866 0.76539064980676 0.63869877014211 18.998 11 F 0.01416685276866 0.73460935019324 0.13869877014211 18.998 12 F 0.98583314723134 0.23460935019324 0.36130122985789 18.998 13 F 0.46817774176993 0.26082480066746 0.05243339370155 18.998 14 F 0.53182225823007 0.76082480066746 0.44756660629845 18.998 15 F 0.53182225823007 0.73917519933254 0.94756660629845 18.998 16 F 0.46817774176993 0.23917519933254 0.55243339370155 18.998 17 F 0.75739544385195 0.95081397662494 0.66802593675434 18.998 18 F 0.24260455614805 0.45081397662494 0.83197406324566 18.998 19 F 0.24260455614805 0.04918602337506 0.33197406324566 18.998 20 F 0.75739544385195 0.54918602337506 0.16802593675434 18.998 21 F 0.23105140775965 0.98003817227338 0.86376174264655 18.998 22 F 0.76894859224035 0.48003817227338 0.63623825735345 18.998 23 F 0.76894859224035 0.01996182772662 0.13623825735345 18.998 24 F 0.23105140775965 0.51996182772662 0.36376174264655 18.998 25 F 0.53412375210257 0.90889517187101 0.23276010684652 18.998 26 F 0.46587624789743 0.40889517187101 0.26723989315348 18.998 27 F 0.46587624789743 0.09110482812899 0.76723989315348 18.998 28 F 0.53412375210257 0.59110482812899 0.73276010684652 18.998 29 Sn 0.77316041120651 0.75528171219478 0.54248258079043 118.710 30 Sn 0.22683958879349 0.25528171219478 0.95751741920957 118.710 31 Sn 0.22683958879349 0.24471828780522 0.45751741920957 118.710 32 Sn 0.77316041120651 0.74471828780522 0.04248258079043 118.710 33 La 0.68889783104216 0.24166727829024 0.26504784562645 138.905 34 La 0.31110216895784 0.74166727829024 0.23495215437355 138.905 35 La 0.31110216895784 0.75833272170976 0.73495215437355 138.905 36 La 0.68889783104216 0.25833272170976 0.76504784562645 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.559065501401243 0.000000000000000 0.000000000000000 b 0.000000000000000 11.546989340000000 0.000000000000000 c -5.867011647266112 0.000000000000000 10.997977475030275 Atomic positions (fractional): 1 F 0.39239216619948 0.02028550333853 0.45722293833716 18.998 > 1 2 F 0.89239216619948 0.02028550333853 0.45722293833716 18.998 > 1 3 F 0.39239216619948 0.52028550333853 0.45722293833716 18.998 > 1 4 F 0.89239216619948 0.52028550333853 0.45722293833716 18.998 > 1 5 F 0.10760783380052 0.27028550333853 0.04277706166284 18.998 > 5 6 F 0.60760783380052 0.27028550333853 0.04277706166284 18.998 > 5 7 F 0.10760783380052 0.77028550333853 0.04277706166284 18.998 > 5 8 F 0.60760783380052 0.77028550333853 0.04277706166284 18.998 > 5 9 F 0.10760783380052 0.47971449666147 0.54277706166284 18.998 > 9 10 F 0.60760783380052 0.47971449666147 0.54277706166284 18.998 > 9 11 F 0.10760783380052 0.97971449666147 0.54277706166284 18.998 > 9 12 F 0.60760783380052 0.97971449666147 0.54277706166284 18.998 > 9 13 F 0.39239216619948 0.22971449666147 0.95722293833716 18.998 > 13 14 F 0.89239216619948 0.22971449666147 0.95722293833716 18.998 > 13 15 F 0.39239216619948 0.72971449666147 0.95722293833716 18.998 > 13 16 F 0.89239216619948 0.72971449666147 0.95722293833716 18.998 > 13 17 F 0.39455012037967 0.47346434070157 0.91998207106954 18.998 > 17 18 F 0.89455012037967 0.47346434070157 0.91998207106954 18.998 > 17 19 F 0.39455012037967 0.97346434070157 0.91998207106954 18.998 > 17 20 F 0.89455012037967 0.97346434070157 0.91998207106954 18.998 > 17 21 F 0.10544987962033 0.22346434070157 0.58001792893046 18.998 > 21 22 F 0.60544987962033 0.22346434070157 0.58001792893046 18.998 > 21 23 F 0.10544987962033 0.72346434070157 0.58001792893046 18.998 > 21 24 F 0.60544987962033 0.72346434070157 0.58001792893046 18.998 > 21 25 F 0.10544987962033 0.02653565929843 0.08001792893046 18.998 > 25 26 F 0.60544987962033 0.02653565929843 0.08001792893046 18.998 > 25 27 F 0.10544987962033 0.52653565929843 0.08001792893046 18.998 > 25 28 F 0.60544987962033 0.52653565929843 0.08001792893046 18.998 > 25 29 F 0.39455012037967 0.27653565929843 0.41998207106954 18.998 > 29 30 F 0.89455012037967 0.27653565929843 0.41998207106954 18.998 > 29 31 F 0.39455012037967 0.77653565929843 0.41998207106954 18.998 > 29 32 F 0.89455012037967 0.77653565929843 0.41998207106954 18.998 > 29 33 F 0.49291657361567 0.13269532490338 0.86130122985789 18.998 > 33 34 F 0.99291657361567 0.13269532490338 0.86130122985789 18.998 > 33 35 F 0.49291657361567 0.63269532490338 0.86130122985789 18.998 > 33 36 F 0.99291657361567 0.63269532490338 0.86130122985789 18.998 > 33 37 F 0.00708342638433 0.38269532490338 0.63869877014211 18.998 > 37 38 F 0.50708342638433 0.38269532490338 0.63869877014211 18.998 > 37 39 F 0.00708342638433 0.88269532490338 0.63869877014211 18.998 > 37 40 F 0.50708342638433 0.88269532490338 0.63869877014211 18.998 > 37 41 F 0.00708342638433 0.36730467509662 0.13869877014211 18.998 > 41 42 F 0.50708342638433 0.36730467509662 0.13869877014211 18.998 > 41 43 F 0.00708342638433 0.86730467509662 0.13869877014211 18.998 > 41 44 F 0.50708342638433 0.86730467509662 0.13869877014211 18.998 > 41 45 F 0.49291657361567 0.11730467509662 0.36130122985789 18.998 > 45 46 F 0.99291657361567 0.11730467509662 0.36130122985789 18.998 > 45 47 F 0.49291657361567 0.61730467509662 0.36130122985789 18.998 > 45 48 F 0.99291657361567 0.61730467509662 0.36130122985789 18.998 > 45 49 F 0.23408887088496 0.13041240033373 0.05243339370155 18.998 > 49 50 F 0.73408887088496 0.13041240033373 0.05243339370155 18.998 > 49 51 F 0.23408887088496 0.63041240033373 0.05243339370155 18.998 > 49 52 F 0.73408887088496 0.63041240033373 0.05243339370155 18.998 > 49 53 F 0.26591112911504 0.38041240033373 0.44756660629845 18.998 > 53 54 F 0.76591112911504 0.38041240033373 0.44756660629845 18.998 > 53 55 F 0.26591112911504 0.88041240033373 0.44756660629845 18.998 > 53 56 F 0.76591112911504 0.88041240033373 0.44756660629845 18.998 > 53 57 F 0.26591112911504 0.36958759966627 0.94756660629845 18.998 > 57 58 F 0.76591112911504 0.36958759966627 0.94756660629845 18.998 > 57 59 F 0.26591112911504 0.86958759966627 0.94756660629845 18.998 > 57 60 F 0.76591112911504 0.86958759966627 0.94756660629845 18.998 > 57 61 F 0.23408887088496 0.11958759966627 0.55243339370155 18.998 > 61 62 F 0.73408887088496 0.11958759966627 0.55243339370155 18.998 > 61 63 F 0.23408887088496 0.61958759966627 0.55243339370155 18.998 > 61 64 F 0.73408887088496 0.61958759966627 0.55243339370155 18.998 > 61 65 F 0.37869772192598 0.47540698831247 0.66802593675434 18.998 > 65 66 F 0.87869772192598 0.47540698831247 0.66802593675434 18.998 > 65 67 F 0.37869772192598 0.97540698831247 0.66802593675434 18.998 > 65 68 F 0.87869772192598 0.97540698831247 0.66802593675434 18.998 > 65 69 F 0.12130227807402 0.22540698831247 0.83197406324566 18.998 > 69 70 F 0.62130227807402 0.22540698831247 0.83197406324566 18.998 > 69 71 F 0.12130227807402 0.72540698831247 0.83197406324566 18.998 > 69 72 F 0.62130227807402 0.72540698831247 0.83197406324566 18.998 > 69 73 F 0.12130227807402 0.02459301168753 0.33197406324566 18.998 > 73 74 F 0.62130227807402 0.02459301168753 0.33197406324566 18.998 > 73 75 F 0.12130227807402 0.52459301168753 0.33197406324566 18.998 > 73 76 F 0.62130227807402 0.52459301168753 0.33197406324566 18.998 > 73 77 F 0.37869772192598 0.27459301168753 0.16802593675434 18.998 > 77 78 F 0.87869772192598 0.27459301168753 0.16802593675434 18.998 > 77 79 F 0.37869772192598 0.77459301168753 0.16802593675434 18.998 > 77 80 F 0.87869772192598 0.77459301168753 0.16802593675434 18.998 > 77 81 F 0.11552570387982 0.49001908613669 0.86376174264655 18.998 > 81 82 F 0.61552570387982 0.49001908613669 0.86376174264655 18.998 > 81 83 F 0.11552570387982 0.99001908613669 0.86376174264655 18.998 > 81 84 F 0.61552570387982 0.99001908613669 0.86376174264655 18.998 > 81 85 F 0.38447429612018 0.24001908613669 0.63623825735345 18.998 > 85 86 F 0.88447429612018 0.24001908613669 0.63623825735345 18.998 > 85 87 F 0.38447429612018 0.74001908613669 0.63623825735345 18.998 > 85 88 F 0.88447429612018 0.74001908613669 0.63623825735345 18.998 > 85 89 F 0.38447429612018 0.00998091386331 0.13623825735345 18.998 > 89 90 F 0.88447429612018 0.00998091386331 0.13623825735345 18.998 > 89 91 F 0.38447429612018 0.50998091386331 0.13623825735345 18.998 > 89 92 F 0.88447429612018 0.50998091386331 0.13623825735345 18.998 > 89 93 F 0.11552570387982 0.25998091386331 0.36376174264655 18.998 > 93 94 F 0.61552570387982 0.25998091386331 0.36376174264655 18.998 > 93 95 F 0.11552570387982 0.75998091386331 0.36376174264655 18.998 > 93 96 F 0.61552570387982 0.75998091386331 0.36376174264655 18.998 > 93 97 F 0.26706187605128 0.45444758593550 0.23276010684652 18.998 > 97 98 F 0.76706187605128 0.45444758593550 0.23276010684652 18.998 > 97 99 F 0.26706187605128 0.95444758593550 0.23276010684652 18.998 > 97 100 F 0.76706187605128 0.95444758593550 0.23276010684652 18.998 > 97 101 F 0.23293812394872 0.20444758593550 0.26723989315348 18.998 > 101 102 F 0.73293812394872 0.20444758593550 0.26723989315348 18.998 > 101 103 F 0.23293812394872 0.70444758593550 0.26723989315348 18.998 > 101 104 F 0.73293812394872 0.70444758593550 0.26723989315348 18.998 > 101 105 F 0.23293812394872 0.04555241406450 0.76723989315348 18.998 > 105 106 F 0.73293812394872 0.04555241406450 0.76723989315348 18.998 > 105 107 F 0.23293812394872 0.54555241406450 0.76723989315348 18.998 > 105 108 F 0.73293812394872 0.54555241406450 0.76723989315348 18.998 > 105 109 F 0.26706187605128 0.29555241406450 0.73276010684652 18.998 > 109 110 F 0.76706187605128 0.29555241406450 0.73276010684652 18.998 > 109 111 F 0.26706187605128 0.79555241406450 0.73276010684652 18.998 > 109 112 F 0.76706187605128 0.79555241406450 0.73276010684652 18.998 > 109 113 Sn 0.38658020560326 0.37764085609739 0.54248258079043 118.710 > 113 114 Sn 0.88658020560326 0.37764085609739 0.54248258079043 118.710 > 113 115 Sn 0.38658020560326 0.87764085609739 0.54248258079043 118.710 > 113 116 Sn 0.88658020560326 0.87764085609739 0.54248258079043 118.710 > 113 117 Sn 0.11341979439674 0.12764085609739 0.95751741920957 118.710 > 117 118 Sn 0.61341979439674 0.12764085609739 0.95751741920957 118.710 > 117 119 Sn 0.11341979439674 0.62764085609739 0.95751741920957 118.710 > 117 120 Sn 0.61341979439674 0.62764085609739 0.95751741920957 118.710 > 117 121 Sn 0.11341979439674 0.12235914390261 0.45751741920957 118.710 > 121 122 Sn 0.61341979439674 0.12235914390261 0.45751741920957 118.710 > 121 123 Sn 0.11341979439674 0.62235914390261 0.45751741920957 118.710 > 121 124 Sn 0.61341979439674 0.62235914390261 0.45751741920957 118.710 > 121 125 Sn 0.38658020560326 0.37235914390261 0.04248258079043 118.710 > 125 126 Sn 0.88658020560326 0.37235914390261 0.04248258079043 118.710 > 125 127 Sn 0.38658020560326 0.87235914390261 0.04248258079043 118.710 > 125 128 Sn 0.88658020560326 0.87235914390261 0.04248258079043 118.710 > 125 129 La 0.34444891552108 0.12083363914512 0.26504784562645 138.905 > 129 130 La 0.84444891552108 0.12083363914512 0.26504784562645 138.905 > 129 131 La 0.34444891552108 0.62083363914512 0.26504784562645 138.905 > 129 132 La 0.84444891552108 0.62083363914512 0.26504784562645 138.905 > 129 133 La 0.15555108447892 0.37083363914512 0.23495215437355 138.905 > 133 134 La 0.65555108447892 0.37083363914512 0.23495215437355 138.905 > 133 135 La 0.15555108447892 0.87083363914512 0.23495215437355 138.905 > 133 136 La 0.65555108447892 0.87083363914512 0.23495215437355 138.905 > 133 137 La 0.15555108447892 0.37916636085488 0.73495215437355 138.905 > 137 138 La 0.65555108447892 0.37916636085488 0.73495215437355 138.905 > 137 139 La 0.15555108447892 0.87916636085488 0.73495215437355 138.905 > 137 140 La 0.65555108447892 0.87916636085488 0.73495215437355 138.905 > 137 141 La 0.34444891552108 0.12916636085488 0.76504784562645 138.905 > 141 142 La 0.84444891552108 0.12916636085488 0.76504784562645 138.905 > 141 143 La 0.34444891552108 0.62916636085488 0.76504784562645 138.905 > 141 144 La 0.84444891552108 0.62916636085488 0.76504784562645 138.905 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3113559 0.0000000 0.0122668 0.0000000 2.2963214 0.0000000 0.0123156 0.0000000 2.2971861 -------------------------- Born effective charges -------------------------- 1 F -0.7150386 -0.1785088 0.1335223 -0.1972270 -1.2811797 0.6064595 0.1515295 0.6081270 -1.3547307 2 F -0.7150386 0.1785088 0.1335223 0.1972270 -1.2811797 -0.6064595 0.1515295 -0.6081270 -1.3547307 3 F -0.7150386 -0.1785088 0.1335223 -0.1972270 -1.2811797 0.6064595 0.1515295 0.6081270 -1.3547307 4 F -0.7150386 0.1785088 0.1335223 0.1972270 -1.2811797 -0.6064595 0.1515295 -0.6081270 -1.3547307 5 F -0.7480212 -0.1656059 0.1567072 -0.1978930 -1.2626813 0.6036986 0.1630736 0.5937486 -1.3003301 6 F -0.7480212 0.1656059 0.1567072 0.1978930 -1.2626813 -0.6036986 0.1630736 -0.5937486 -1.3003301 7 F -0.7480212 -0.1656059 0.1567072 -0.1978930 -1.2626813 0.6036986 0.1630736 0.5937486 -1.3003301 8 F -0.7480212 0.1656059 0.1567072 0.1978930 -1.2626813 -0.6036986 0.1630736 -0.5937486 -1.3003301 9 F -1.9080220 0.0219086 -0.6834671 -0.0045663 -0.6567962 0.0143007 -0.6625132 -0.0036962 -1.0420405 10 F -1.9080220 -0.0219086 -0.6834671 0.0045663 -0.6567962 -0.0143007 -0.6625132 0.0036962 -1.0420405 11 F -1.9080220 0.0219086 -0.6834671 -0.0045663 -0.6567962 0.0143007 -0.6625132 -0.0036962 -1.0420405 12 F -1.9080220 -0.0219086 -0.6834671 0.0045663 -0.6567962 -0.0143007 -0.6625132 0.0036962 -1.0420405 13 F -1.0591493 -0.0072283 -0.4270963 0.0246550 -0.6720184 0.0343641 -0.4772195 0.0040303 -1.4013086 14 F -1.0591493 0.0072283 -0.4270963 -0.0246550 -0.6720184 -0.0343641 -0.4772195 -0.0040303 -1.4013086 15 F -1.0591493 -0.0072283 -0.4270963 0.0246550 -0.6720184 0.0343641 -0.4772195 0.0040303 -1.4013086 16 F -1.0591493 0.0072283 -0.4270963 -0.0246550 -0.6720184 -0.0343641 -0.4772195 -0.0040303 -1.4013086 17 F -1.0344315 0.4981106 0.4308399 0.4788816 -1.3285594 -0.5550840 0.4141016 -0.5515075 -1.1724602 18 F -1.0344315 -0.4981106 0.4308399 -0.4788816 -1.3285594 0.5550840 0.4141016 0.5515075 -1.1724602 19 F -1.0344315 0.4981106 0.4308399 0.4788816 -1.3285594 -0.5550840 0.4141016 -0.5515075 -1.1724602 20 F -1.0344315 -0.4981106 0.4308399 -0.4788816 -1.3285594 0.5550840 0.4141016 0.5515075 -1.1724602 21 F -1.0175923 0.4628430 0.4006632 0.4408702 -1.3076629 -0.5382139 0.3739021 -0.5247790 -1.1231052 22 F -1.0175923 -0.4628430 0.4006632 -0.4408702 -1.3076629 0.5382139 0.3739021 0.5247790 -1.1231052 23 F -1.0175923 0.4628430 0.4006632 0.4408702 -1.3076629 -0.5382139 0.3739021 -0.5247790 -1.1231052 24 F -1.0175923 -0.4628430 0.4006632 -0.4408702 -1.3076629 0.5382139 0.3739021 0.5247790 -1.1231052 25 F -1.6482633 -0.8104823 -0.0916903 -0.9013354 -1.5478858 -0.0768564 -0.0538142 -0.0415971 -0.6961713 26 F -1.6482633 0.8104823 -0.0916903 0.9013354 -1.5478858 0.0768564 -0.0538142 0.0415971 -0.6961713 27 F -1.6482633 -0.8104823 -0.0916903 -0.9013354 -1.5478858 -0.0768564 -0.0538142 -0.0415971 -0.6961713 28 F -1.6482633 0.8104823 -0.0916903 0.9013354 -1.5478858 0.0768564 -0.0538142 0.0415971 -0.6961713 29 Sn 3.7875719 0.0731080 -0.0210690 -0.0707476 3.8202688 0.1124770 0.0475043 -0.1431925 3.9858716 30 Sn 3.7875719 -0.0731080 -0.0210690 0.0707476 3.8202688 -0.1124770 0.0475043 0.1431925 3.9858716 31 Sn 3.7875719 0.0731080 -0.0210690 -0.0707476 3.8202688 0.1124770 0.0475043 -0.1431925 3.9858716 32 Sn 3.7875719 -0.0731080 -0.0210690 0.0707476 3.8202688 -0.1124770 0.0475043 0.1431925 3.9858716 33 La 4.3429463 0.2137920 0.1015900 -0.0891365 4.2365148 0.0829200 0.0434358 0.0354827 4.1042751 34 La 4.3429463 -0.2137920 0.1015900 0.0891365 4.2365148 -0.0829200 0.0434358 -0.0354827 4.1042751 35 La 4.3429463 0.2137920 0.1015900 -0.0891365 4.2365148 0.0829200 0.0434358 0.0354827 4.1042751 36 La 4.3429463 -0.2137920 0.1015900 0.0891365 4.2365148 -0.0829200 0.0434358 -0.0354827 4.1042751 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- 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 ... [ 6 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 305, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 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 1.450 ( 0.000 0.000 0.000) 0.000 1.744 ( 0.000 0.000 0.000) 0.000 1.751 ( 0.000 0.000 0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.697 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 0.000) 0.000 4.887 ( 0.000 0.000 0.000) 0.000 4.914 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 5.287 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 5.942 ( 0.000 0.000 0.000) 0.000 5.977 ( 0.000 0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 0.000) 0.000 6.769 ( 0.000 0.000 0.000) 0.000 6.841 ( 0.000 0.000 0.000) 0.000 6.841 ( 0.000 0.000 0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 6.986 ( 0.000 0.000 0.000) 0.000 6.991 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.121 ( 0.000 0.000 0.000) 0.000 7.281 ( 0.000 0.000 0.000) 0.000 7.304 ( 0.000 0.000 0.000) 0.000 7.392 ( 0.000 0.000 0.000) 0.000 7.494 ( 0.000 0.000 0.000) 0.000 7.595 ( 0.000 0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 7.744 ( 0.000 0.000 0.000) 0.000 7.841 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.180 ( 0.000 0.000 0.000) 0.000 8.181 ( 0.000 0.000 0.000) 0.000 8.274 ( 0.000 0.000 0.000) 0.000 8.745 ( 0.000 0.000 0.000) 0.000 10.061 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 11.591 ( 0.000 0.000 0.000) 0.000 12.089 ( 0.000 0.000 0.000) 0.000 13.221 ( 0.000 0.000 0.000) 0.000 13.394 ( 0.000 0.000 0.000) 0.000 13.412 ( 0.000 0.000 0.000) 0.000 13.424 ( 0.000 0.000 0.000) 0.000 13.517 ( 0.000 0.000 0.000) 0.000 13.537 ( 0.000 0.000 0.000) 0.000 13.642 ( 0.000 0.000 0.000) 0.000 15.603 ( 0.000 0.000 0.000) 0.000 15.631 ( 0.000 0.000 0.000) 0.000 15.644 ( 0.000 0.000 0.000) 0.000 15.647 ( 0.000 0.000 0.000) 0.000 15.696 ( 0.000 0.000 0.000) 0.000 15.753 ( 0.000 0.000 0.000) 0.000 15.806 ( 0.000 0.000 0.000) 0.000 15.832 ( 0.000 0.000 0.000) 0.000 15.961 ( 0.000 0.000 0.000) 0.000 16.076 ( 0.000 0.000 0.000) 0.000 16.618 ( 0.000 0.000 0.000) 0.000 17.451 ( 0.000 0.000 0.000) 0.000 17.472 ( 0.000 0.000 0.000) 0.000 17.689 ( 0.000 0.000 0.000) 0.000 17.904 ( 0.000 0.000 0.000) 0.000 18.212 ( 0.000 0.000 0.000) 0.000 18.445 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 16.245 0.000 10.771) 19.491 0.403 ( 17.601 0.000 7.088) 18.974 0.961 ( 35.322 0.000 25.802) 43.743 1.479 ( 3.617 0.000 -1.368) 3.867 1.670 ( -4.001 0.000 -4.137) 5.756 1.774 ( 1.596 0.000 0.899) 1.832 1.885 ( -1.342 0.000 -2.081) 2.476 2.040 ( -0.735 0.000 1.383) 1.566 2.076 ( 2.972 0.000 0.604) 3.033 2.154 ( -5.641 0.000 -8.224) 9.972 2.285 ( 0.648 0.000 0.712) 0.963 2.313 ( -1.331 0.000 2.507) 2.838 2.364 ( 0.152 0.000 -0.849) 0.862 2.469 ( -1.481 0.000 -0.661) 1.622 2.580 ( 2.471 0.000 -8.830) 9.169 2.617 ( 7.935 0.000 3.558) 8.696 2.841 ( -5.183 0.000 -0.196) 5.187 2.945 ( -5.323 0.000 1.479) 5.524 2.991 ( 2.976 0.000 2.248) 3.730 3.067 ( 1.982 0.000 4.411) 4.836 3.094 ( -1.859 0.000 -3.337) 3.820 3.148 ( -2.414 0.000 2.037) 3.158 3.212 ( 1.580 0.000 0.881) 1.809 3.532 ( -6.276 0.000 -3.509) 7.191 3.668 ( -1.187 0.000 -6.665) 6.770 3.677 ( -6.330 0.000 -9.370) 11.307 3.692 ( -0.414 0.000 -4.146) 4.167 3.791 ( -0.063 0.000 4.296) 4.297 3.812 ( 1.749 0.000 3.944) 4.314 3.877 ( -2.931 0.000 2.550) 3.886 3.888 ( -1.113 0.000 -0.050) 1.114 3.930 ( 1.324 0.000 -4.345) 4.543 3.996 ( 2.220 0.000 4.542) 5.055 4.086 ( -0.974 0.000 3.981) 4.099 4.209 ( -4.887 0.000 -3.148) 5.813 4.245 ( 3.673 0.000 0.313) 3.686 4.358 ( 1.518 0.000 -2.640) 3.046 4.418 ( -2.968 0.000 -3.253) 4.404 4.514 ( 4.379 0.000 0.243) 4.386 4.523 ( -1.126 0.000 1.107) 1.579 4.775 ( -3.518 0.000 -2.687) 4.427 4.781 ( -2.813 0.000 -2.905) 4.044 4.950 ( -1.208 0.000 -11.313) 11.378 4.968 ( -0.966 0.000 1.057) 1.432 4.989 ( -1.206 0.000 -0.464) 1.293 5.061 ( 4.481 0.000 4.443) 6.310 5.182 ( 0.506 0.000 -3.997) 4.029 5.219 ( 0.988 0.000 1.919) 2.159 5.279 ( 0.921 0.000 4.333) 4.429 5.363 ( 2.831 0.000 6.378) 6.978 5.659 ( -27.908 0.000 40.070) 48.831 5.710 ( -5.227 0.000 2.702) 5.884 5.980 ( 2.458 0.000 -0.326) 2.480 6.103 ( 8.488 0.000 1.850) 8.687 6.181 ( 1.614 0.000 -1.417) 2.148 6.505 ( 0.678 0.000 -4.451) 4.502 6.593 ( -1.521 0.000 0.442) 1.584 6.759 ( -0.740 0.000 2.540) 2.646 6.795 ( -5.580 0.000 0.918) 5.655 6.825 ( -1.284 0.000 -5.546) 5.693 6.893 ( 3.537 0.000 2.988) 4.630 6.993 ( 3.369 0.000 -6.543) 7.359 7.008 ( 2.754 0.000 -0.916) 2.903 7.022 ( 1.203 0.000 4.974) 5.117 7.067 ( -0.887 0.000 3.311) 3.428 7.229 ( 1.176 0.000 -2.141) 2.443 7.313 ( 1.453 0.000 1.417) 2.030 7.390 ( 1.153 0.000 -2.568) 2.815 7.406 ( 0.665 0.000 -0.363) 0.758 7.468 ( 1.774 0.000 -6.731) 6.960 7.696 ( -2.654 0.000 -2.876) 3.913 7.716 ( -0.905 0.000 3.314) 3.436 7.794 ( 7.698 0.000 -11.998) 14.255 7.844 ( 1.775 0.000 -2.957) 3.449 8.020 ( 0.084 0.000 2.232) 2.234 8.059 ( -7.234 0.000 16.336) 17.866 8.115 ( -3.046 0.000 -1.864) 3.571 8.242 ( 2.143 0.000 5.247) 5.668 8.306 ( 0.448 0.000 2.999) 3.032 8.677 ( -5.543 0.000 -3.452) 6.530 10.063 ( 0.211 0.000 0.040) 0.215 10.072 ( 0.175 0.000 -0.067) 0.188 12.064 ( 1.889 0.000 -8.242) 8.456 12.362 ( 11.080 0.000 -22.358) 24.953 13.288 ( 5.007 0.000 2.467) 5.582 13.399 ( 0.034 0.000 0.644) 0.645 13.412 ( 0.110 0.000 -0.224) 0.250 13.424 ( -0.163 0.000 0.167) 0.233 13.578 ( 3.998 0.000 2.855) 4.913 13.579 ( 8.677 0.000 -3.055) 9.199 13.720 ( -0.409 0.000 14.085) 14.091 15.519 ( -23.515 0.000 -9.370) 25.313 15.625 ( 1.632 0.000 1.427) 2.168 15.649 ( 0.356 0.000 -0.567) 0.670 15.660 ( 1.539 0.000 1.532) 2.171 15.669 ( 0.251 0.000 -5.729) 5.734 15.751 ( 1.168 0.000 -2.367) 2.639 15.797 ( 0.481 0.000 -10.505) 10.516 15.827 ( 1.921 0.000 1.420) 2.388 15.867 ( 3.497 0.000 0.929) 3.619 16.926 ( 16.418 0.000 16.596) 23.345 17.469 ( 0.835 0.000 -1.935) 2.107 17.493 ( 3.066 0.000 2.779) 4.138 17.673 ( -2.643 0.000 1.150) 2.882 17.871 ( -2.629 0.000 -0.967) 2.801 18.152 ( -2.610 0.000 -7.055) 7.522 18.255 ( -6.146 0.000 6.452) 8.911 18.368 ( -7.401 0.000 -0.768) 7.440 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 12.412 0.000 5.046) 13.398 0.774 ( 13.624 0.000 9.909) 16.847 1.494 ( 3.214 0.000 -1.603) 3.591 1.536 ( 3.881 0.000 -1.952) 4.344 1.547 ( -5.155 0.000 -11.536) 12.635 1.647 ( -11.691 0.000 -6.595) 13.423 1.875 ( -6.513 0.000 -2.251) 6.891 1.970 ( 15.782 0.000 14.058) 21.135 2.162 ( 6.431 0.000 1.817) 6.682 2.303 ( -0.931 0.000 2.779) 2.931 2.321 ( 12.473 0.000 7.030) 14.317 2.324 ( 2.630 0.000 -2.472) 3.610 2.365 ( -7.052 0.000 -3.619) 7.926 2.389 ( 0.335 0.000 6.343) 6.352 2.535 ( 1.923 0.000 -8.234) 8.455 2.737 ( -5.394 0.000 -0.344) 5.405 2.756 ( 3.361 0.000 3.616) 4.937 2.875 ( -2.978 0.000 -0.236) 2.987 2.995 ( -4.913 0.000 -3.952) 6.305 3.022 ( -1.670 0.000 -0.284) 1.694 3.143 ( -0.700 0.000 3.746) 3.811 3.159 ( 3.916 0.000 3.239) 5.082 3.305 ( 4.931 0.000 5.139) 7.122 3.371 ( -8.229 0.000 -6.200) 10.303 3.527 ( 1.905 0.000 -4.951) 5.304 3.570 ( -7.031 0.000 -3.277) 7.757 3.593 ( -1.024 0.000 -9.461) 9.516 3.802 ( -0.241 0.000 -0.311) 0.393 3.809 ( -6.086 0.000 -1.684) 6.314 3.848 ( -1.786 0.000 5.556) 5.836 3.865 ( 0.173 0.000 4.157) 4.161 3.938 ( 0.260 0.000 1.867) 1.885 4.033 ( 0.994 0.000 -5.791) 5.876 4.146 ( 0.594 0.000 0.891) 1.071 4.176 ( 3.256 0.000 5.281) 6.204 4.316 ( -4.155 0.000 -2.207) 4.705 4.320 ( 4.856 0.000 -1.009) 4.959 4.365 ( 1.226 0.000 -0.708) 1.416 4.484 ( -4.288 0.000 0.963) 4.395 4.623 ( 6.945 0.000 -0.150) 6.947 4.739 ( 0.521 0.000 -5.511) 5.535 4.748 ( 0.368 0.000 1.565) 1.607 4.779 ( -5.822 0.000 -1.907) 6.127 4.911 ( -5.526 0.000 -2.679) 6.141 4.939 ( -1.809 0.000 -0.169) 1.817 5.105 ( -3.366 0.000 -0.309) 3.380 5.152 ( -1.443 0.000 -2.862) 3.205 5.260 ( 3.879 0.000 2.071) 4.398 5.379 ( 3.001 0.000 4.913) 5.757 5.474 ( 0.661 0.000 10.204) 10.226 5.591 ( -7.750 0.000 12.083) 14.355 5.643 ( -6.066 0.000 4.316) 7.445 6.035 ( 3.270 0.000 0.875) 3.385 6.190 ( 1.211 0.000 -2.062) 2.391 6.223 ( 5.347 0.000 -5.718) 7.829 6.461 ( 0.288 0.000 -6.035) 6.042 6.549 ( -2.483 0.000 0.991) 2.674 6.698 ( -4.477 0.000 1.356) 4.678 6.744 ( -1.654 0.000 -4.713) 4.995 6.760 ( -0.521 0.000 -0.080) 0.527 6.996 ( 1.387 0.000 7.378) 7.507 7.003 ( 2.241 0.000 -2.653) 3.473 7.077 ( 4.400 0.000 1.484) 4.644 7.088 ( 0.620 0.000 1.397) 1.529 7.097 ( 1.825 0.000 1.686) 2.484 7.224 ( 0.196 0.000 -1.925) 1.935 7.338 ( 4.139 0.000 -4.242) 5.927 7.362 ( -0.985 0.000 -6.683) 6.755 7.411 ( -2.371 0.000 6.427) 6.851 7.472 ( 2.016 0.000 -1.112) 2.302 7.630 ( -1.138 0.000 -2.552) 2.794 7.733 ( -2.006 0.000 5.638) 5.984 7.797 ( 1.243 0.000 -4.408) 4.580 7.854 ( 3.105 0.000 -4.251) 5.264 8.027 ( -0.161 0.000 -0.517) 0.542 8.068 ( -2.170 0.000 2.257) 3.131 8.120 ( 1.428 0.000 8.089) 8.214 8.314 ( 0.123 0.000 1.406) 1.411 8.342 ( 0.983 0.000 4.435) 4.543 8.500 ( -8.472 0.000 -5.494) 10.098 10.068 ( 0.232 0.000 0.037) 0.235 10.074 ( 0.159 0.000 -0.070) 0.173 12.014 ( 1.328 0.000 -7.237) 7.358 12.346 ( 3.479 0.000 -7.828) 8.566 13.382 ( 2.470 0.000 1.287) 2.785 13.404 ( -0.113 0.000 0.706) 0.715 13.411 ( 0.147 0.000 -0.476) 0.498 13.422 ( -0.201 0.000 -0.065) 0.211 13.734 ( 11.823 0.000 -6.842) 13.660 13.796 ( 14.453 0.000 9.445) 17.266 13.844 ( -3.400 0.000 17.029) 17.365 14.884 ( -26.857 0.000 -18.082) 32.377 15.650 ( 0.150 0.000 -0.149) 0.211 15.657 ( 0.372 0.000 -0.937) 1.008 15.670 ( 1.355 0.000 1.235) 1.833 15.691 ( 0.456 0.000 0.887) 0.997 15.750 ( 0.596 0.000 -1.186) 1.328 15.771 ( 0.925 0.000 -2.334) 2.510 15.913 ( 4.547 0.000 3.408) 5.683 15.965 ( 4.813 0.000 2.051) 5.232 17.303 ( 11.786 0.000 7.592) 14.019 17.471 ( 1.625 0.000 -1.763) 2.397 17.580 ( 0.244 0.000 3.923) 3.931 17.608 ( -5.025 0.000 -0.452) 5.045 17.840 ( 1.912 0.000 0.850) 2.092 18.017 ( -2.925 0.000 -7.515) 8.064 18.170 ( -6.769 0.000 -0.270) 6.774 18.212 ( -7.511 0.000 -0.895) 7.564 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.000 0.000 0.000) 0.000 0.987 ( 0.000 0.000 0.000) 0.000 1.332 ( 0.000 0.000 0.000) 0.000 1.429 ( 0.000 0.000 0.000) 0.000 1.564 ( 0.000 0.000 -0.000) 0.000 1.576 ( -0.000 0.000 0.000) 0.000 1.787 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 -0.000) 0.000 2.258 ( 0.000 0.000 -0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 -0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.757 ( -0.000 0.000 -0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 3.199 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 -0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.507 ( 0.000 0.000 -0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.576 ( -0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.828 ( -0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 3.955 ( -0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 -0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.381 ( -0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 -0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.662 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.764 ( 0.000 0.000 0.000) 0.000 4.770 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 5.538 ( 0.000 0.000 0.000) 0.000 5.586 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 6.086 ( 0.000 0.000 0.000) 0.000 6.189 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.685 ( 0.000 0.000 -0.000) 0.000 6.690 ( 0.000 0.000 0.000) 0.000 6.753 ( 0.000 0.000 0.000) 0.000 7.012 ( 0.000 0.000 0.000) 0.000 7.065 ( 0.000 0.000 -0.000) 0.000 7.093 ( 0.000 0.000 0.000) 0.000 7.104 ( 0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 0.000) 0.000 7.211 ( 0.000 0.000 0.000) 0.000 7.292 ( 0.000 0.000 0.000) 0.000 7.390 ( -0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 -0.000) 0.000 7.495 ( 0.000 0.000 0.000) 0.000 7.607 ( 0.000 0.000 0.000) 0.000 7.747 ( 0.000 0.000 0.000) 0.000 7.778 ( 0.000 0.000 -0.000) 0.000 7.862 ( 0.000 0.000 0.000) 0.000 8.024 ( 0.000 0.000 0.000) 0.000 8.061 ( -0.000 0.000 0.000) 0.000 8.234 ( -0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.332 ( 0.000 0.000 0.000) 0.000 8.379 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.076 ( 0.000 0.000 0.000) 0.000 11.989 ( 0.000 0.000 0.000) 0.000 12.340 ( 0.000 0.000 0.000) 0.000 13.408 ( 0.000 0.000 -0.000) 0.000 13.409 ( 0.000 0.000 0.000) 0.000 13.412 ( 0.000 0.000 0.000) 0.000 13.415 ( -0.000 0.000 -0.000) 0.000 13.814 ( 0.000 0.000 -0.000) 0.000 13.899 ( 0.000 0.000 0.000) 0.000 14.202 ( 0.000 0.000 0.000) 0.000 14.324 ( -0.000 0.000 -0.000) 0.000 15.651 ( 0.000 0.000 0.000) 0.000 15.656 ( 0.000 0.000 0.000) 0.000 15.690 ( 0.000 0.000 0.000) 0.000 15.697 ( -0.000 0.000 0.000) 0.000 15.750 ( 0.000 0.000 0.000) 0.000 15.769 ( 0.000 0.000 0.000) 0.000 15.989 ( 0.000 0.000 0.000) 0.000 16.028 ( 0.000 0.000 0.000) 0.000 17.490 ( 0.000 0.000 0.000) 0.000 17.497 ( 0.000 0.000 0.000) 0.000 17.524 ( -0.000 0.000 0.000) 0.000 17.536 ( -0.000 0.000 0.000) 0.000 17.944 ( 0.000 0.000 0.000) 0.000 17.952 ( 0.000 0.000 0.000) 0.000 18.046 ( -0.000 0.000 -0.000) 0.000 18.131 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 0.000 20.872 0.000) 20.872 0.668 ( 0.000 33.620 0.000) 33.620 0.705 ( 0.000 35.940 0.000) 35.940 1.513 ( 0.000 5.625 0.000) 5.625 1.767 ( 0.000 3.686 0.000) 3.686 1.876 ( 0.000 7.796 0.000) 7.796 1.901 ( 0.000 3.168 0.000) 3.168 2.015 ( 0.000 1.589 0.000) 1.589 2.100 ( 0.000 5.535 0.000) 5.535 2.234 ( 0.000 -5.643 0.000) 5.643 2.340 ( 0.000 2.574 0.000) 2.574 2.363 ( 0.000 7.182 0.000) 7.182 2.431 ( 0.000 1.415 0.000) 1.415 2.480 ( 0.000 3.716 0.000) 3.716 2.543 ( 0.000 7.611 0.000) 7.611 2.622 ( 0.000 7.586 0.000) 7.586 2.859 ( 0.000 -7.692 0.000) 7.692 2.902 ( 0.000 -0.527 0.000) 0.527 2.912 ( 0.000 -7.271 0.000) 7.271 3.035 ( 0.000 1.683 0.000) 1.683 3.145 ( 0.000 -2.544 0.000) 2.544 3.200 ( 0.000 2.281 0.000) 2.281 3.224 ( 0.000 3.974 0.000) 3.974 3.564 ( 0.000 -9.067 0.000) 9.067 3.627 ( 0.000 -4.021 0.000) 4.021 3.655 ( 0.000 -4.796 0.000) 4.796 3.724 ( 0.000 -2.315 0.000) 2.315 3.734 ( 0.000 -2.499 0.000) 2.499 3.835 ( 0.000 0.730 0.000) 0.730 3.865 ( 0.000 -2.539 0.000) 2.539 3.929 ( 0.000 2.523 0.000) 2.523 3.938 ( 0.000 5.087 0.000) 5.087 4.100 ( 0.000 -0.848 0.000) 0.848 4.204 ( 0.000 0.437 0.000) 0.437 4.330 ( 0.000 2.166 0.000) 2.166 4.352 ( 0.000 0.535 0.000) 0.535 4.355 ( 0.000 -4.317 0.000) 4.317 4.461 ( 0.000 0.124 0.000) 0.124 4.482 ( 0.000 -3.276 0.000) 3.276 4.675 ( 0.000 -2.461 0.000) 2.461 4.719 ( 0.000 -9.827 0.000) 9.827 4.859 ( 0.000 -2.783 0.000) 2.783 4.878 ( 0.000 -1.884 0.000) 1.884 4.885 ( 0.000 1.225 0.000) 1.225 4.986 ( 0.000 1.981 0.000) 1.981 5.060 ( 0.000 2.520 0.000) 2.520 5.116 ( 0.000 1.883 0.000) 1.883 5.186 ( 0.000 2.771 0.000) 2.771 5.274 ( 0.000 1.008 0.000) 1.008 5.364 ( 0.000 5.876 0.000) 5.876 5.439 ( 0.000 -5.076 0.000) 5.076 5.578 ( 0.000 -13.903 0.000) 13.903 6.037 ( 0.000 7.617 0.000) 7.617 6.039 ( 0.000 4.078 0.000) 4.078 6.437 ( 0.000 0.228 0.000) 0.228 6.516 ( 0.000 -5.981 0.000) 5.981 6.523 ( 0.000 -4.146 0.000) 4.146 6.593 ( 0.000 2.431 0.000) 2.431 6.735 ( 0.000 -3.508 0.000) 3.508 6.823 ( 0.000 0.099 0.000) 0.099 6.849 ( 0.000 -3.086 0.000) 3.086 6.892 ( 0.000 2.590 0.000) 2.590 6.942 ( 0.000 -4.667 0.000) 4.667 7.011 ( 0.000 -3.991 0.000) 3.991 7.117 ( 0.000 -0.663 0.000) 0.663 7.147 ( 0.000 2.481 0.000) 2.481 7.269 ( 0.000 -3.440 0.000) 3.440 7.322 ( 0.000 3.237 0.000) 3.237 7.493 ( 0.000 -1.878 0.000) 1.878 7.588 ( 0.000 5.212 0.000) 5.212 7.614 ( 0.000 1.866 0.000) 1.866 7.704 ( 0.000 -0.522 0.000) 0.522 7.803 ( 0.000 -2.037 0.000) 2.037 7.828 ( 0.000 2.037 0.000) 2.037 7.971 ( 0.000 5.228 0.000) 5.228 8.075 ( 0.000 0.050 0.000) 0.050 8.190 ( 0.000 2.315 0.000) 2.315 8.221 ( 0.000 4.429 0.000) 4.429 8.308 ( 0.000 3.560 0.000) 3.560 8.723 ( 0.000 -2.536 0.000) 2.536 10.186 ( 0.000 10.837 0.000) 10.837 11.072 ( 0.000 1.108 0.000) 1.108 11.576 ( 0.000 -1.615 0.000) 1.615 11.957 ( 0.000 -12.113 0.000) 12.113 13.270 ( 0.000 4.213 0.000) 4.213 13.388 ( 0.000 0.484 0.000) 0.484 13.405 ( 0.000 0.292 0.000) 0.292 13.517 ( 0.000 0.084 0.000) 0.084 13.581 ( 0.000 1.884 0.000) 1.884 13.620 ( 0.000 17.270 0.000) 17.270 13.696 ( 0.000 7.414 0.000) 7.414 15.336 ( 0.000 -23.796 0.000) 23.796 15.646 ( 0.000 0.269 0.000) 0.269 15.648 ( 0.000 0.055 0.000) 0.055 15.713 ( 0.000 0.210 0.000) 0.210 15.738 ( 0.000 -0.568 0.000) 0.568 15.774 ( 0.000 1.442 0.000) 1.442 15.811 ( 0.000 0.696 0.000) 0.696 15.975 ( 0.000 0.567 0.000) 0.567 16.069 ( 0.000 -0.640 0.000) 0.640 16.841 ( 0.000 18.511 0.000) 18.511 17.454 ( 0.000 -1.491 0.000) 1.491 17.454 ( 0.000 0.320 0.000) 0.320 17.670 ( 0.000 -2.011 0.000) 2.011 17.852 ( 0.000 -4.439 0.000) 4.439 18.053 ( 0.000 1.716 0.000) 1.716 18.126 ( 0.000 -8.665 0.000) 8.665 18.341 ( 0.000 -10.396 0.000) 10.396 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 3.501 23.191 19.025) 30.199 0.819 ( 14.375 29.925 -4.537) 33.508 1.073 ( 29.297 12.809 21.652) 38.616 1.532 ( 3.390 4.601 -2.610) 6.283 1.726 ( -4.309 5.254 -3.918) 7.844 1.824 ( 0.214 3.026 -0.842) 3.148 1.928 ( -0.909 4.634 -3.054) 5.624 2.052 ( 0.776 2.631 4.167) 4.989 2.118 ( -5.819 0.777 -0.981) 5.952 2.160 ( 4.771 3.735 -4.787) 7.722 2.301 ( -1.769 1.545 0.609) 2.427 2.387 ( -0.181 6.653 1.937) 6.932 2.418 ( -1.112 4.759 -2.384) 5.438 2.476 ( 0.017 1.961 -0.673) 2.074 2.560 ( 2.085 -3.405 -3.251) 5.149 2.632 ( 2.762 4.133 -3.025) 5.819 2.836 ( -4.090 -4.323 4.699) 7.582 2.895 ( -2.912 -3.738 1.586) 4.997 2.918 ( -0.704 -4.189 -0.216) 4.253 3.022 ( 0.090 1.734 0.361) 1.773 3.118 ( -2.037 -3.039 0.455) 3.687 3.202 ( -1.062 1.235 1.832) 2.452 3.228 ( 0.924 4.931 0.062) 5.017 3.525 ( -3.009 -0.048 -2.758) 4.082 3.573 ( 0.397 -7.199 -2.292) 7.566 3.658 ( -1.427 -1.976 -6.216) 6.677 3.715 ( -0.394 -0.784 -3.378) 3.490 3.760 ( -3.692 -1.765 0.805) 4.171 3.782 ( 1.420 -2.780 3.777) 4.900 3.877 ( -1.567 -0.753 -1.246) 2.139 3.923 ( 0.124 -0.650 -2.432) 2.520 3.994 ( -0.244 2.204 4.300) 4.838 4.035 ( -8.371 4.356 -6.156) 11.267 4.101 ( 0.718 0.683 1.998) 2.231 4.216 ( -0.358 0.074 -1.314) 1.364 4.292 ( -2.167 3.114 -3.805) 5.373 4.345 ( 0.179 -1.608 -1.103) 1.958 4.409 ( -1.004 0.043 -3.421) 3.566 4.527 ( -1.695 1.989 4.381) 5.101 4.543 ( 3.056 1.968 -1.830) 4.070 4.746 ( -1.648 -3.286 -2.732) 4.580 4.775 ( -3.184 -0.351 -1.491) 3.534 4.903 ( -2.144 -3.127 2.131) 4.349 4.980 ( 3.059 -1.322 0.515) 3.372 5.009 ( -2.079 2.891 -4.485) 5.726 5.057 ( 0.510 0.560 1.711) 1.871 5.097 ( 1.764 -5.101 -2.580) 5.982 5.234 ( 0.595 0.624 0.228) 0.891 5.307 ( 2.973 2.833 5.691) 7.018 5.404 ( 0.185 1.157 3.693) 3.875 5.518 ( -8.748 -8.177 22.445) 25.439 5.567 ( -3.938 -10.878 5.664) 12.880 5.999 ( -0.561 1.748 -0.343) 1.867 6.122 ( 6.537 3.443 -0.897) 7.443 6.338 ( -3.327 7.705 0.900) 8.441 6.487 ( -1.006 -3.418 -0.401) 3.585 6.532 ( -2.393 -6.077 -5.415) 8.484 6.690 ( -0.117 -4.507 1.539) 4.764 6.730 ( 0.142 -4.762 2.456) 5.360 6.810 ( -0.075 -0.439 -2.272) 2.315 6.904 ( 4.037 -2.021 -1.670) 4.814 6.930 ( 2.042 -0.809 1.267) 2.536 6.992 ( -0.397 -1.265 1.068) 1.702 7.032 ( 1.486 -2.327 3.748) 4.655 7.107 ( 3.040 2.485 -4.115) 5.688 7.190 ( 3.866 -4.086 0.133) 5.626 7.266 ( 0.744 0.654 -1.061) 1.451 7.321 ( 3.300 -1.184 -1.162) 3.693 7.503 ( 1.342 1.716 -1.162) 2.469 7.559 ( 0.478 5.889 -3.391) 6.812 7.627 ( -0.547 -0.698 -1.700) 1.917 7.713 ( -2.918 -1.988 6.375) 7.287 7.813 ( 2.237 0.108 -5.629) 6.058 7.825 ( 3.123 0.982 -2.369) 4.041 8.006 ( -0.392 0.886 6.503) 6.574 8.058 ( -1.122 0.143 -0.085) 1.134 8.126 ( -5.294 0.781 1.635) 5.596 8.278 ( 3.617 4.585 2.482) 6.346 8.360 ( 1.787 5.377 3.087) 6.452 8.657 ( -5.388 -2.071 -3.006) 6.508 10.184 ( -0.338 10.626 0.494) 10.643 10.469 ( -19.828 24.936 -5.708) 32.365 11.935 ( 1.929 -11.944 -6.481) 13.725 12.099 ( 21.123 -18.393 -6.411) 28.733 13.290 ( 2.440 1.511 2.138) 3.579 13.382 ( 0.355 -0.398 -1.082) 1.207 13.408 ( 0.095 0.082 0.301) 0.326 13.489 ( -1.036 0.626 -1.762) 2.138 13.546 ( 1.901 2.357 -1.376) 3.326 13.716 ( 7.811 11.806 1.775) 14.267 13.839 ( 3.499 13.324 14.472) 19.980 15.184 ( -13.949 -23.698 -8.862) 28.891 15.649 ( 0.296 0.240 -0.009) 0.381 15.654 ( 0.526 0.459 -0.052) 0.700 15.700 ( -3.712 3.052 -0.510) 4.832 15.737 ( -1.552 0.727 2.176) 2.770 15.749 ( 2.732 0.036 -1.727) 3.233 15.817 ( 0.766 1.609 -5.424) 5.709 15.887 ( -1.580 2.233 -1.856) 3.306 15.897 ( -2.099 3.747 -4.691) 6.360 17.077 ( 13.070 12.869 11.856) 21.840 17.453 ( 0.699 -1.593 -1.561) 2.337 17.499 ( 3.286 0.736 3.297) 4.713 17.650 ( -2.767 -2.318 0.724) 3.682 17.837 ( -1.671 -3.241 -0.561) 3.689 18.063 ( -2.744 -8.922 -7.071) 11.710 18.202 ( 1.768 -2.680 6.986) 7.688 18.261 ( -7.442 -10.703 -1.455) 13.117 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 3.774 19.782 18.975) 27.670 1.055 ( 15.598 23.376 -5.669) 28.668 1.532 ( 0.587 3.357 -7.284) 8.042 1.587 ( 1.099 4.384 -2.417) 5.125 1.635 ( 1.624 7.952 -3.054) 8.672 1.677 ( -10.491 3.069 -4.646) 11.877 1.853 ( -1.284 0.498 -2.839) 3.156 2.047 ( 4.948 5.986 8.504) 11.517 2.197 ( 5.759 2.925 2.989) 7.117 2.255 ( 7.010 -3.540 0.061) 7.853 2.302 ( -1.694 -1.084 4.756) 5.164 2.386 ( 2.632 4.706 -2.343) 5.880 2.402 ( -1.843 4.117 -0.295) 4.520 2.443 ( -1.694 3.873 4.026) 5.838 2.564 ( 3.512 -3.613 -2.676) 5.705 2.629 ( -1.320 -0.546 -2.953) 3.281 2.829 ( -1.231 -3.201 -0.855) 3.535 2.843 ( -2.898 -1.234 4.403) 5.414 2.907 ( -0.745 -1.724 2.169) 2.869 2.985 ( -2.306 -3.310 -1.368) 4.259 3.106 ( -1.197 -3.007 -1.225) 3.461 3.202 ( -2.005 0.602 1.838) 2.786 3.283 ( 3.875 3.400 1.608) 5.400 3.465 ( -2.818 4.876 0.330) 5.641 3.498 ( -4.922 -2.259 -3.851) 6.645 3.559 ( -4.002 -1.035 -6.755) 7.920 3.579 ( -0.385 -0.991 -6.074) 6.166 3.776 ( -0.712 -2.681 2.488) 3.726 3.791 ( -0.612 0.652 -0.982) 1.328 3.852 ( -1.133 -2.573 3.788) 4.718 3.892 ( -0.816 2.690 1.040) 2.997 3.956 ( 1.722 0.409 -2.311) 2.910 4.053 ( -0.191 1.134 0.082) 1.153 4.159 ( -1.921 2.234 1.199) 3.181 4.182 ( 3.982 -1.342 0.809) 4.279 4.280 ( 0.172 -0.389 -0.473) 0.636 4.329 ( 1.950 0.257 -2.098) 2.875 4.385 ( -0.433 1.457 0.500) 1.600 4.496 ( -3.022 1.925 1.467) 3.871 4.615 ( 2.846 -1.793 0.286) 3.375 4.719 ( 1.269 -1.565 -4.885) 5.285 4.764 ( 2.388 1.642 1.604) 3.313 4.823 ( -4.674 2.512 0.300) 5.315 4.891 ( -5.396 -0.370 -1.146) 5.529 4.936 ( -4.044 -0.263 -4.166) 5.812 5.056 ( -2.060 -1.096 -1.410) 2.726 5.174 ( 3.623 -1.306 1.269) 4.055 5.250 ( 1.143 -0.841 0.672) 1.570 5.368 ( 0.365 -0.993 4.431) 4.555 5.470 ( -1.008 -5.121 6.744) 8.528 5.549 ( -4.556 -5.557 7.203) 10.174 5.563 ( -0.267 -1.433 5.648) 5.833 6.037 ( 3.563 0.764 2.501) 4.420 6.199 ( 2.082 -0.355 -1.863) 2.816 6.287 ( -1.705 6.396 -4.990) 8.289 6.412 ( -1.397 -5.043 -4.673) 7.016 6.481 ( -0.810 -5.309 0.252) 5.377 6.664 ( -2.489 -3.232 1.467) 4.336 6.719 ( -2.682 -2.567 -1.182) 3.896 6.776 ( -0.378 0.016 -2.749) 2.775 6.925 ( 2.678 -4.517 -3.093) 6.094 6.965 ( -0.879 -1.459 2.983) 3.436 6.995 ( -1.176 -4.993 5.566) 7.569 7.105 ( 1.172 0.568 2.570) 2.881 7.141 ( 3.438 -4.525 -2.937) 6.397 7.230 ( 4.231 3.726 -4.085) 6.962 7.296 ( 3.066 2.293 -2.076) 4.356 7.405 ( 0.286 2.896 2.004) 3.533 7.476 ( 2.456 4.578 -2.063) 5.590 7.563 ( -3.901 2.252 0.559) 4.539 7.603 ( 2.690 -0.173 0.569) 2.755 7.720 ( -2.079 -1.690 4.778) 5.478 7.794 ( 1.506 0.225 -5.232) 5.449 7.857 ( 2.326 0.738 -2.203) 3.288 8.034 ( 0.678 0.918 -3.096) 3.299 8.064 ( -3.051 -0.920 4.985) 5.917 8.102 ( 1.686 -0.878 6.993) 7.247 8.350 ( 1.979 2.650 -0.653) 3.371 8.402 ( -0.458 7.176 2.886) 7.748 8.497 ( -7.294 -0.064 -3.673) 8.167 10.184 ( -0.267 10.278 0.434) 10.291 10.252 ( -4.545 16.200 -1.405) 16.884 11.898 ( 1.078 -10.935 -5.723) 12.389 12.255 ( 6.047 -9.122 -5.169) 12.103 13.345 ( 0.998 -1.676 0.545) 2.025 13.377 ( 0.046 -1.007 -1.078) 1.476 13.418 ( 0.220 0.646 0.562) 0.884 13.478 ( 0.148 1.425 -0.098) 1.436 13.697 ( 13.061 -6.031 7.739) 16.336 13.878 ( 7.302 13.639 0.458) 15.477 14.028 ( 2.248 17.148 12.014) 21.059 14.700 ( -22.943 -16.550 -16.283) 32.641 15.650 ( -0.596 0.584 -0.026) 0.835 15.655 ( 0.521 -0.288 -0.841) 1.030 15.668 ( 0.096 -0.022 0.259) 0.277 15.699 ( -1.259 0.681 -1.528) 2.094 15.776 ( 0.230 1.782 -0.631) 1.904 15.796 ( 0.895 1.579 -0.391) 1.857 15.912 ( 4.295 -0.101 3.310) 5.423 15.969 ( 4.534 0.336 1.940) 4.943 17.370 ( 9.255 5.020 4.653) 11.511 17.454 ( 1.268 -1.966 -1.335) 2.694 17.572 ( -5.132 -3.132 -1.147) 6.121 17.596 ( -0.383 1.361 4.154) 4.388 17.841 ( 4.155 0.483 2.263) 4.756 17.935 ( -1.945 -8.175 -7.323) 11.147 18.092 ( -8.290 -11.843 -1.374) 14.521 18.194 ( -5.216 2.023 0.103) 5.596 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 0.000 19.381 -0.000) 19.381 1.189 ( -0.000 18.445 0.000) 18.445 1.370 ( -0.000 3.795 -0.000) 3.795 1.555 ( 0.000 11.533 -0.000) 11.533 1.611 ( -0.000 3.862 0.000) 3.862 1.625 ( 0.000 4.936 -0.000) 4.936 1.776 ( -0.000 -0.172 0.000) 0.172 2.170 ( 0.000 -4.717 -0.000) 4.717 2.173 ( -0.000 2.628 0.000) 2.628 2.340 ( 0.000 -4.957 0.000) 4.957 2.373 ( 0.000 5.725 0.000) 5.725 2.399 ( -0.000 5.442 0.000) 5.442 2.452 ( -0.000 -3.460 0.000) 3.460 2.491 ( 0.000 1.975 0.000) 1.975 2.552 ( 0.000 -3.310 0.000) 3.310 2.657 ( 0.000 1.669 0.000) 1.669 2.737 ( -0.000 -2.804 -0.000) 2.804 2.871 ( 0.000 -3.617 -0.000) 3.617 2.935 ( 0.000 8.673 0.000) 8.673 2.944 ( -0.000 -4.090 0.000) 4.090 3.115 ( -0.000 -4.128 -0.000) 4.128 3.121 ( 0.000 -5.134 0.000) 5.134 3.330 ( 0.000 4.474 -0.000) 4.474 3.370 ( -0.000 3.542 -0.000) 3.542 3.491 ( -0.000 -5.986 -0.000) 5.986 3.498 ( -0.000 -1.199 0.000) 1.199 3.557 ( -0.000 4.874 -0.000) 4.874 3.734 ( 0.000 1.519 -0.000) 1.519 3.809 ( -0.000 -1.262 0.000) 1.262 3.874 ( -0.000 -5.102 0.000) 5.102 3.899 ( 0.000 4.862 -0.000) 4.862 3.984 ( 0.000 3.107 0.000) 3.107 3.992 ( -0.000 0.538 -0.000) 0.538 4.198 ( 0.000 1.319 0.000) 1.319 4.200 ( -0.000 -1.483 -0.000) 1.483 4.286 ( 0.000 1.401 0.000) 1.401 4.344 ( 0.000 -2.930 0.000) 2.930 4.391 ( 0.000 1.331 -0.000) 1.331 4.473 ( -0.000 4.283 0.000) 4.283 4.621 ( -0.000 -4.357 0.000) 4.357 4.710 ( -0.000 0.954 -0.000) 0.954 4.792 ( -0.000 2.310 0.000) 2.310 4.819 ( -0.000 3.199 -0.000) 3.199 4.840 ( 0.000 2.055 0.000) 2.055 4.851 ( -0.000 -4.736 -0.000) 4.736 5.010 ( -0.000 -0.763 0.000) 0.763 5.179 ( 0.000 2.639 0.000) 2.639 5.299 ( -0.000 -2.684 -0.000) 2.684 5.413 ( -0.000 -2.161 0.000) 2.161 5.467 ( 0.000 -9.345 -0.000) 9.345 5.544 ( 0.000 -3.034 -0.000) 3.034 5.598 ( -0.000 0.664 0.000) 0.664 6.131 ( 0.000 4.195 0.000) 4.195 6.185 ( 0.000 -2.382 0.000) 2.382 6.204 ( -0.000 1.391 -0.000) 1.391 6.388 ( -0.000 -3.120 0.000) 3.120 6.473 ( 0.000 -4.990 -0.000) 4.990 6.655 ( 0.000 -2.810 -0.000) 2.810 6.675 ( -0.000 -1.697 -0.000) 1.697 6.756 ( -0.000 -0.346 0.000) 0.346 6.938 ( 0.000 -6.954 -0.000) 6.954 6.966 ( -0.000 -1.356 0.000) 1.356 7.038 ( 0.000 -6.165 0.000) 6.165 7.109 ( -0.000 -9.919 -0.000) 9.919 7.151 ( 0.000 2.875 -0.000) 2.875 7.282 ( 0.000 9.231 0.000) 9.231 7.294 ( -0.000 4.734 -0.000) 4.734 7.392 ( -0.000 0.326 0.000) 0.326 7.492 ( -0.000 2.639 0.000) 2.639 7.551 ( -0.000 4.396 -0.000) 4.396 7.635 ( -0.000 1.523 0.000) 1.523 7.727 ( 0.000 -1.753 0.000) 1.753 7.776 ( 0.000 -0.162 -0.000) 0.162 7.866 ( 0.000 0.783 -0.000) 0.783 8.028 ( 0.000 0.867 -0.000) 0.867 8.053 ( -0.000 -0.770 0.000) 0.770 8.249 ( -0.000 1.506 -0.000) 1.506 8.254 ( 0.000 -5.068 0.000) 5.068 8.402 ( 0.000 8.654 -0.000) 8.654 8.435 ( 0.000 3.941 0.000) 3.941 10.182 ( 0.000 10.287 0.000) 10.287 10.212 ( -0.000 12.983 0.000) 12.983 11.878 ( 0.000 -10.546 0.000) 10.546 12.279 ( -0.000 -6.438 -0.000) 6.438 13.354 ( -0.000 -1.570 0.000) 1.570 13.371 ( 0.000 -2.448 -0.000) 2.448 13.422 ( 0.000 0.694 -0.000) 0.694 13.479 ( 0.000 1.796 -0.000) 1.796 13.947 ( 0.000 14.388 -0.000) 14.388 14.059 ( 0.000 6.105 0.000) 6.105 14.128 ( 0.000 -7.205 0.000) 7.205 14.193 ( -0.000 -2.916 -0.000) 2.916 15.645 ( 0.000 -0.190 0.000) 0.190 15.656 ( 0.000 -0.525 0.000) 0.525 15.676 ( -0.265 -0.425 -0.758) 0.908 15.676 ( 0.265 -0.425 0.758) 0.908 15.775 ( -0.000 1.471 -0.000) 1.471 15.800 ( 0.000 1.739 0.000) 1.739 15.991 ( 0.000 0.212 0.000) 0.212 16.029 ( -0.000 0.086 0.000) 0.086 17.455 ( 0.000 -6.863 0.000) 6.863 17.489 ( -0.000 -0.736 -0.000) 0.736 17.535 ( -0.000 -0.239 -0.000) 0.239 17.544 ( 0.000 3.400 0.000) 3.400 17.887 ( 0.000 -6.078 0.000) 6.078 17.981 ( 0.000 3.924 0.000) 3.924 17.995 ( -0.000 -13.526 0.000) 13.526 18.081 ( -0.000 3.074 -0.000) 3.074 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.000 22.527 0.000) 22.527 1.275 ( 0.000 28.916 0.000) 28.916 1.367 ( 0.000 32.390 0.000) 32.390 1.614 ( 0.000 3.445 0.000) 3.445 1.831 ( 0.000 0.213 0.000) 0.213 1.960 ( 0.000 2.910 0.000) 2.910 1.996 ( 0.000 3.067 0.000) 3.067 2.104 ( 0.000 7.903 0.000) 7.903 2.125 ( 0.000 -4.345 0.000) 4.345 2.191 ( 0.000 2.425 0.000) 2.425 2.472 ( 0.000 3.478 0.000) 3.478 2.481 ( 0.000 12.833 0.000) 12.833 2.503 ( 0.000 6.332 0.000) 6.332 2.591 ( 0.000 4.496 0.000) 4.496 2.662 ( 0.000 2.418 0.000) 2.418 2.702 ( 0.000 -6.218 0.000) 6.218 2.772 ( 0.000 6.069 0.000) 6.069 2.817 ( 0.000 -0.758 0.000) 0.758 2.872 ( 0.000 -2.710 0.000) 2.710 3.049 ( 0.000 -1.198 0.000) 1.198 3.065 ( 0.000 -3.127 0.000) 3.127 3.257 ( 0.000 2.041 0.000) 2.041 3.277 ( 0.000 2.368 0.000) 2.368 3.404 ( 0.000 -5.698 0.000) 5.698 3.548 ( 0.000 -4.885 0.000) 4.885 3.601 ( 0.000 1.225 0.000) 1.225 3.658 ( 0.000 -4.532 0.000) 4.532 3.673 ( 0.000 -3.567 0.000) 3.567 3.801 ( 0.000 -3.775 0.000) 3.775 3.810 ( 0.000 -3.461 0.000) 3.461 3.958 ( 0.000 2.485 0.000) 2.485 4.016 ( 0.000 1.221 0.000) 1.221 4.170 ( 0.000 -4.023 0.000) 4.023 4.176 ( 0.000 -0.376 0.000) 0.376 4.183 ( 0.000 -3.372 0.000) 3.372 4.293 ( 0.000 -2.035 0.000) 2.035 4.402 ( 0.000 0.171 0.000) 0.171 4.475 ( 0.000 3.904 0.000) 3.904 4.490 ( 0.000 1.790 0.000) 1.790 4.585 ( 0.000 -3.474 0.000) 3.474 4.657 ( 0.000 -0.619 0.000) 0.619 4.810 ( 0.000 -1.816 0.000) 1.816 4.845 ( 0.000 -1.061 0.000) 1.061 4.903 ( 0.000 0.098 0.000) 0.098 5.020 ( 0.000 1.098 0.000) 1.098 5.049 ( 0.000 -2.013 0.000) 2.013 5.127 ( 0.000 -0.564 0.000) 0.564 5.151 ( 0.000 -9.390 0.000) 9.390 5.287 ( 0.000 -0.256 0.000) 0.256 5.357 ( 0.000 -2.182 0.000) 2.182 5.404 ( 0.000 -1.306 0.000) 1.306 5.478 ( 0.000 5.012 0.000) 5.012 6.116 ( 0.000 3.830 0.000) 3.830 6.151 ( 0.000 2.548 0.000) 2.548 6.354 ( 0.000 -9.656 0.000) 9.656 6.418 ( 0.000 -5.408 0.000) 5.408 6.444 ( 0.000 0.415 0.000) 0.415 6.622 ( 0.000 -1.372 0.000) 1.372 6.665 ( 0.000 -1.301 0.000) 1.301 6.801 ( 0.000 -2.051 0.000) 2.051 6.817 ( 0.000 -1.415 0.000) 1.415 6.851 ( 0.000 -4.008 0.000) 4.008 6.929 ( 0.000 -3.779 0.000) 3.779 6.948 ( 0.000 2.238 0.000) 2.238 7.129 ( 0.000 -4.543 0.000) 4.543 7.141 ( 0.000 3.602 0.000) 3.602 7.254 ( 0.000 2.807 0.000) 2.807 7.383 ( 0.000 2.824 0.000) 2.824 7.534 ( 0.000 4.625 0.000) 4.625 7.551 ( 0.000 -7.262 0.000) 7.262 7.665 ( 0.000 2.240 0.000) 2.240 7.669 ( 0.000 -2.385 0.000) 2.385 7.828 ( 0.000 -0.323 0.000) 0.323 7.859 ( 0.000 5.887 0.000) 5.887 8.070 ( 0.000 4.083 0.000) 4.083 8.081 ( 0.000 1.756 0.000) 1.756 8.286 ( 0.000 6.918 0.000) 6.918 8.331 ( 0.000 5.719 0.000) 5.719 8.406 ( 0.000 6.322 0.000) 6.322 8.645 ( 0.000 -5.491 0.000) 5.491 10.432 ( 0.000 13.572 0.000) 13.572 11.105 ( 0.000 2.345 0.000) 2.345 11.529 ( 0.000 -3.250 0.000) 3.250 11.685 ( 0.000 -15.078 0.000) 15.078 13.339 ( 0.000 2.501 0.000) 2.501 13.404 ( 0.000 1.048 0.000) 1.048 13.451 ( 0.000 4.427 0.000) 4.427 13.519 ( 0.000 0.267 0.000) 0.267 13.586 ( 0.000 -0.565 0.000) 0.565 13.952 ( 0.000 18.002 0.000) 18.002 14.021 ( 0.000 22.861 0.000) 22.861 14.840 ( 0.000 -26.205 0.000) 26.205 15.650 ( 0.000 0.233 0.000) 0.233 15.653 ( 0.000 0.409 0.000) 0.409 15.709 ( 0.000 -0.541 0.000) 0.541 15.731 ( 0.000 -0.035 0.000) 0.035 15.803 ( 0.000 1.378 0.000) 1.378 15.828 ( 0.000 0.866 0.000) 0.866 15.981 ( 0.000 0.214 0.000) 0.214 16.053 ( 0.000 -1.052 0.000) 1.052 17.203 ( 0.000 17.146 0.000) 17.146 17.412 ( 0.000 -2.743 0.000) 2.743 17.472 ( 0.000 2.154 0.000) 2.154 17.615 ( 0.000 -3.568 0.000) 3.568 17.755 ( 0.000 -5.464 0.000) 5.464 17.898 ( 0.000 -14.163 0.000) 14.163 18.064 ( 0.000 -8.493 0.000) 8.493 18.082 ( 0.000 -7.768 0.000) 7.768 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 11.918 17.560 14.336) 25.611 1.397 ( -1.076 27.649 18.735) 33.416 1.454 ( 18.488 23.214 -7.778) 30.679 1.608 ( 3.721 2.787 -5.251) 7.014 1.842 ( -2.239 -0.733 0.937) 2.536 1.849 ( -6.194 6.633 -3.154) 9.607 2.030 ( 0.256 -4.337 -0.783) 4.414 2.058 ( 0.067 7.845 -4.423) 9.007 2.167 ( -1.875 2.208 9.705) 10.128 2.220 ( 5.456 -1.313 -5.830) 8.092 2.407 ( -8.242 12.402 -0.533) 14.900 2.454 ( -2.275 -1.688 -0.343) 2.853 2.483 ( -3.505 1.919 0.193) 4.000 2.567 ( 1.068 7.102 -9.333) 11.776 2.574 ( -3.546 4.618 -0.699) 5.865 2.705 ( -0.305 0.729 -0.401) 0.886 2.748 ( -3.506 -3.940 0.470) 5.295 2.805 ( 0.636 0.540 5.944) 6.002 2.861 ( -2.581 -4.882 1.115) 5.633 3.044 ( 0.244 -0.670 -2.595) 2.692 3.101 ( -0.267 2.700 -0.226) 2.722 3.238 ( -1.344 3.376 2.168) 4.232 3.293 ( 2.546 1.389 0.834) 3.018 3.451 ( 3.068 -3.640 -0.188) 4.765 3.548 ( 0.685 0.597 -2.261) 2.436 3.597 ( -0.305 -4.019 -3.631) 5.425 3.674 ( 0.451 -2.948 2.892) 4.154 3.692 ( 0.185 -3.687 2.119) 4.256 3.757 ( -3.136 -0.690 0.430) 3.240 3.829 ( 3.008 -3.491 -4.271) 6.283 3.915 ( -2.852 -0.209 -2.051) 3.519 4.018 ( -1.411 -0.001 3.324) 3.612 4.031 ( -4.949 -3.463 -3.829) 7.152 4.146 ( -1.489 4.121 -1.750) 4.718 4.208 ( 0.265 -1.119 -0.333) 1.198 4.302 ( 1.744 -1.776 -1.127) 2.732 4.344 ( -2.749 3.435 -2.283) 4.957 4.427 ( 0.332 1.570 -2.313) 2.815 4.532 ( 2.513 -0.502 2.250) 3.411 4.620 ( -2.579 2.892 0.643) 3.928 4.669 ( -0.165 -2.995 1.093) 3.192 4.774 ( -1.658 0.691 0.572) 1.885 4.869 ( 0.478 -0.799 2.169) 2.360 4.935 ( 1.247 -3.335 1.370) 3.815 5.016 ( -0.909 -1.755 -3.393) 3.926 5.049 ( 2.813 -1.269 -2.432) 3.929 5.088 ( -1.905 0.654 -0.707) 2.134 5.182 ( 1.375 -7.728 0.178) 7.851 5.290 ( -2.108 -1.941 2.104) 3.555 5.345 ( -1.773 -1.848 3.349) 4.216 5.437 ( -0.249 -2.779 6.021) 6.637 5.511 ( 0.604 2.925 4.445) 5.355 6.047 ( -3.080 2.990 1.065) 4.422 6.183 ( 1.874 1.893 -0.316) 2.683 6.343 ( -1.178 -8.402 0.250) 8.488 6.395 ( -0.854 -2.917 -4.039) 5.054 6.449 ( -0.031 -1.895 -1.006) 2.146 6.622 ( -1.459 -5.661 0.816) 5.902 6.644 ( -3.033 -0.296 1.602) 3.443 6.799 ( 0.095 -1.299 -1.911) 2.313 6.858 ( -0.215 -2.712 2.288) 3.555 6.904 ( 5.876 -2.005 -1.547) 6.398 6.950 ( 2.419 -2.620 2.530) 4.372 7.002 ( 2.641 -0.388 2.728) 3.817 7.097 ( 1.406 -3.033 -7.181) 7.922 7.190 ( 4.092 3.389 -0.582) 5.345 7.279 ( 4.424 0.899 1.821) 4.868 7.367 ( -1.215 4.978 0.260) 5.130 7.517 ( 0.314 1.681 -2.171) 2.764 7.576 ( 1.238 -5.474 0.073) 5.613 7.646 ( -3.365 -0.433 4.364) 5.527 7.699 ( 0.765 2.811 1.049) 3.096 7.828 ( 0.520 0.330 -0.785) 0.997 7.877 ( 2.453 5.161 -2.442) 6.214 8.023 ( -5.090 0.512 5.899) 7.808 8.090 ( 2.605 3.090 -5.414) 6.756 8.148 ( -7.379 2.027 -0.577) 7.674 8.406 ( 3.679 7.254 -0.671) 8.162 8.494 ( 3.963 7.621 4.106) 9.521 8.598 ( -3.724 -3.626 -1.657) 5.456 10.426 ( -1.040 13.301 0.905) 13.373 10.828 ( -16.146 13.508 -3.796) 21.390 11.670 ( 0.859 -14.616 -3.611) 15.080 11.796 ( 16.679 -13.133 0.521) 21.235 13.335 ( -0.568 2.500 0.828) 2.694 13.384 ( -0.723 0.794 -1.881) 2.166 13.420 ( -0.725 1.111 0.020) 1.327 13.498 ( -1.887 1.092 -2.068) 3.004 13.565 ( -0.204 -0.289 -1.175) 1.228 14.048 ( 9.179 21.459 3.965) 23.674 14.201 ( 8.185 22.433 12.229) 26.828 14.707 ( -10.387 -24.824 -8.356) 28.177 15.654 ( 0.111 0.182 -0.159) 0.267 15.662 ( 0.591 0.280 0.352) 0.742 15.727 ( 0.029 0.136 1.090) 1.099 15.739 ( 0.111 0.019 1.003) 1.009 15.759 ( -1.807 0.959 -0.807) 2.199 15.845 ( 0.347 1.181 -2.173) 2.497 15.912 ( -1.983 0.759 -1.848) 2.815 15.946 ( -4.343 1.141 -4.337) 6.243 17.320 ( 6.438 9.897 4.193) 12.529 17.405 ( -0.481 -3.609 -0.969) 3.768 17.540 ( 4.307 4.247 6.017) 8.532 17.587 ( -3.094 -4.014 -0.351) 5.080 17.763 ( 1.052 -3.848 0.396) 4.008 17.828 ( -3.155 -14.702 -7.254) 16.695 17.991 ( -6.847 -15.906 -2.683) 17.524 18.171 ( 4.208 -1.184 5.503) 7.028 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 3.711 18.696 15.622) 24.645 1.537 ( 8.667 23.929 -2.791) 25.603 1.579 ( 6.100 -0.264 -10.796) 12.403 1.650 ( -9.955 1.688 -6.654) 12.092 1.724 ( -3.360 3.893 -1.257) 5.294 1.854 ( 6.157 12.498 6.520) 15.382 1.930 ( -3.272 6.297 -9.393) 11.772 2.036 ( -5.525 -10.817 0.129) 12.146 2.232 ( -2.292 -1.893 1.532) 3.344 2.268 ( -0.614 3.408 4.396) 5.596 2.275 ( 1.251 0.187 3.036) 3.289 2.401 ( 1.166 0.378 4.464) 4.629 2.450 ( 0.137 2.046 1.506) 2.544 2.524 ( -2.391 5.480 -0.024) 5.979 2.558 ( 4.681 2.825 -5.943) 8.075 2.688 ( -0.991 1.512 0.922) 2.029 2.706 ( -1.246 -2.313 -1.627) 3.090 2.831 ( -1.492 -1.800 2.068) 3.121 2.885 ( 0.066 1.611 2.929) 3.343 2.975 ( -1.549 0.070 -0.868) 1.777 3.090 ( -0.675 1.916 -0.360) 2.063 3.228 ( -1.371 3.130 -2.076) 3.998 3.364 ( 3.161 3.134 1.448) 4.681 3.465 ( -1.242 -1.205 -3.621) 4.013 3.500 ( -6.067 -2.521 -3.906) 7.643 3.515 ( -1.466 0.661 0.905) 1.845 3.654 ( 1.206 5.319 -1.265) 5.599 3.699 ( -2.765 -4.376 2.772) 5.872 3.765 ( 1.222 -0.516 3.773) 3.999 3.858 ( 3.650 1.961 -4.004) 5.762 3.925 ( 2.271 0.429 1.745) 2.896 3.961 ( 0.493 0.413 -0.918) 1.121 4.052 ( -0.266 -1.159 0.740) 1.401 4.127 ( 2.100 -3.079 -1.815) 4.145 4.179 ( -2.528 -0.652 0.888) 2.758 4.303 ( -0.118 2.533 -0.089) 2.537 4.351 ( 3.504 1.633 -1.661) 4.208 4.417 ( -0.900 1.082 0.627) 1.541 4.537 ( -2.630 0.095 -1.200) 2.892 4.570 ( -2.485 -0.738 3.132) 4.065 4.686 ( 2.195 -1.466 -0.847) 2.772 4.784 ( 0.629 0.835 -0.079) 1.048 4.871 ( 0.896 3.063 1.726) 3.628 4.927 ( -4.397 -0.198 -0.916) 4.496 4.933 ( -2.909 2.088 -5.206) 6.319 5.057 ( -0.401 -0.336 -1.674) 1.753 5.113 ( 4.089 -4.214 3.377) 6.773 5.181 ( -1.190 -8.711 -0.285) 8.796 5.268 ( -1.498 -5.561 0.047) 5.760 5.359 ( -1.006 -2.141 3.920) 4.579 5.475 ( -0.980 -3.285 4.227) 5.442 5.568 ( 1.697 -0.309 1.640) 2.380 6.085 ( 3.628 3.893 5.218) 7.453 6.169 ( -2.388 -2.934 -4.138) 5.607 6.303 ( -0.845 -4.493 -0.386) 4.588 6.375 ( 0.766 -5.443 -1.569) 5.717 6.403 ( -2.403 3.375 -1.873) 4.547 6.600 ( -1.697 -5.592 1.008) 5.930 6.620 ( -1.953 -2.842 1.554) 3.782 6.767 ( -0.836 -0.980 -2.801) 3.083 6.865 ( -0.283 -1.996 0.678) 2.127 6.913 ( -2.397 -3.505 1.496) 4.503 6.963 ( 0.843 0.757 -2.113) 2.398 7.042 ( -0.828 -2.390 -1.311) 2.850 7.132 ( 3.735 0.617 0.662) 3.843 7.282 ( 8.557 -0.745 -4.939) 9.908 7.343 ( 1.809 3.546 1.816) 4.375 7.448 ( 3.171 -0.217 2.939) 4.329 7.519 ( 1.297 1.118 1.045) 2.006 7.558 ( -2.158 0.387 -0.233) 2.204 7.649 ( 0.471 1.416 0.821) 1.703 7.685 ( -0.760 -0.310 -0.816) 1.157 7.813 ( -1.800 1.223 -1.094) 2.436 7.892 ( 0.406 2.924 -0.087) 2.953 8.023 ( -1.576 -2.419 4.685) 5.503 8.072 ( 0.593 1.877 -2.039) 2.834 8.101 ( 1.386 1.337 2.066) 2.825 8.389 ( -3.900 -0.037 -4.547) 5.991 8.535 ( -0.309 5.399 0.348) 5.419 8.581 ( 1.542 9.897 2.185) 10.252 10.417 ( -0.840 12.832 0.885) 12.890 10.586 ( -7.489 17.013 -2.008) 18.697 11.644 ( 0.379 -14.454 -3.352) 14.842 12.022 ( 8.349 -14.289 -0.880) 16.573 13.328 ( 0.071 -0.170 -0.475) 0.510 13.373 ( -0.372 0.383 -2.237) 2.300 13.432 ( 0.440 0.703 1.709) 1.899 13.465 ( 0.321 -1.645 0.786) 1.851 13.605 ( 4.997 -3.193 4.599) 7.504 14.259 ( 7.763 24.619 3.553) 26.057 14.336 ( -16.813 -18.187 -13.525) 28.220 14.453 ( 6.214 24.310 8.840) 26.603 15.649 ( -0.072 -0.173 -1.212) 1.226 15.670 ( 0.155 0.260 -0.104) 0.319 15.675 ( -2.146 1.495 0.229) 2.625 15.716 ( -1.546 1.155 -2.066) 2.827 15.798 ( -1.024 0.472 -0.268) 1.159 15.813 ( 1.038 0.128 0.911) 1.387 15.906 ( 3.807 -0.588 3.383) 5.127 15.976 ( 3.847 0.303 1.931) 4.315 17.333 ( -4.947 -10.410 -3.460) 12.034 17.450 ( 4.222 1.270 1.118) 4.549 17.505 ( -2.615 -3.212 -2.078) 4.633 17.621 ( -2.316 0.069 2.551) 3.446 17.697 ( -1.695 -17.096 -7.787) 18.862 17.827 ( -7.078 -12.037 -1.536) 14.048 17.893 ( 9.349 5.250 6.307) 12.439 18.231 ( -1.956 1.435 1.214) 2.713 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.000 4.826 -0.000) 4.826 1.501 ( 0.000 18.378 0.000) 18.378 1.590 ( -0.000 11.035 0.000) 11.035 1.654 ( -0.000 6.272 -0.000) 6.272 1.699 ( -0.000 3.428 -0.000) 3.428 1.806 ( 0.000 7.684 -0.000) 7.684 1.830 ( -0.000 6.372 0.000) 6.372 2.034 ( 0.000 -10.745 -0.000) 10.745 2.211 ( 0.000 -4.155 0.000) 4.155 2.224 ( -0.000 2.546 -0.000) 2.546 2.337 ( -0.000 -3.778 0.000) 3.778 2.460 ( 0.000 -0.379 -0.000) 0.379 2.469 ( -0.000 2.686 0.000) 2.686 2.566 ( 0.000 4.741 0.000) 4.741 2.606 ( 0.000 9.053 0.000) 9.053 2.633 ( -0.000 -6.814 0.000) 6.814 2.724 ( 0.000 4.552 0.000) 4.552 2.814 ( -0.000 -2.809 -0.000) 2.809 2.857 ( -0.000 -1.318 0.000) 1.318 3.051 ( -0.000 -1.488 -0.000) 1.488 3.089 ( 0.000 1.044 0.000) 1.044 3.121 ( 0.000 8.548 0.000) 8.548 3.377 ( 0.000 -1.754 0.000) 1.754 3.432 ( -0.000 1.393 0.000) 1.393 3.438 ( 0.000 2.883 -0.000) 2.883 3.497 ( -0.000 0.975 0.000) 0.975 3.684 ( -0.000 7.713 0.000) 7.713 3.687 ( 0.000 -2.924 -0.000) 2.924 3.792 ( -0.000 -1.608 0.000) 1.608 3.866 ( 0.000 5.438 -0.000) 5.438 3.974 ( -0.000 2.929 -0.000) 2.929 3.989 ( 0.000 -1.841 0.000) 1.841 4.002 ( -0.000 0.062 -0.000) 0.062 4.148 ( -0.000 -6.215 0.000) 6.215 4.174 ( 0.000 -2.496 -0.000) 2.496 4.319 ( 0.000 2.243 0.000) 2.243 4.346 ( 0.000 1.855 -0.000) 1.855 4.428 ( 0.000 1.741 0.000) 1.741 4.530 ( 0.000 -3.279 0.000) 3.279 4.540 ( -0.000 2.139 0.000) 2.139 4.705 ( 0.000 -1.789 -0.000) 1.789 4.802 ( -0.000 -0.581 0.000) 0.581 4.844 ( 0.000 1.061 0.000) 1.061 4.855 ( -0.000 3.998 0.000) 3.998 4.941 ( 0.000 6.528 -0.000) 6.528 5.014 ( -0.000 1.224 0.000) 1.224 5.161 ( 0.000 -7.555 -0.000) 7.555 5.210 ( -0.000 -6.437 0.000) 6.437 5.230 ( 0.000 -10.163 -0.000) 10.163 5.369 ( -0.000 -2.126 0.000) 2.126 5.490 ( 0.000 -2.845 -0.000) 2.845 5.588 ( 0.000 -2.109 0.000) 2.109 6.104 ( 0.000 -4.550 -0.000) 4.550 6.210 ( 0.000 2.772 0.000) 2.772 6.260 ( -0.000 1.519 -0.000) 1.519 6.369 ( -0.000 2.643 0.000) 2.643 6.372 ( 0.000 -5.346 -0.000) 5.346 6.584 ( 0.000 -7.524 0.000) 7.524 6.604 ( 0.000 -1.057 -0.000) 1.057 6.743 ( 0.000 -0.892 0.000) 0.892 6.862 ( 0.000 -0.507 -0.000) 0.507 6.901 ( -0.000 -5.505 0.000) 5.505 6.991 ( 0.000 0.573 -0.000) 0.573 6.993 ( -0.000 -1.967 0.000) 1.967 7.167 ( 0.000 -0.131 -0.000) 0.131 7.366 ( 0.000 2.045 -0.000) 2.045 7.392 ( -0.000 -2.140 -0.000) 2.140 7.428 ( -0.000 3.514 0.000) 3.514 7.488 ( -0.000 1.617 -0.000) 1.617 7.612 ( -0.000 1.647 -0.000) 1.647 7.656 ( -0.000 0.725 0.000) 0.725 7.684 ( 0.000 -2.637 0.000) 2.637 7.777 ( 0.000 0.337 -0.000) 0.337 7.891 ( 0.000 1.297 -0.000) 1.297 8.038 ( 0.000 -0.523 -0.000) 0.523 8.068 ( -0.000 2.975 0.000) 2.975 8.169 ( -0.000 -3.346 -0.000) 3.346 8.280 ( 0.000 1.526 0.000) 1.526 8.541 ( 0.000 7.181 0.000) 7.181 8.604 ( 0.000 10.949 -0.000) 10.949 10.413 ( 0.000 12.671 0.000) 12.671 10.511 ( 0.000 16.803 0.000) 16.803 11.630 ( 0.000 -14.288 0.000) 14.288 12.090 ( -0.000 -13.073 -0.000) 13.073 13.336 ( -0.000 -1.071 -0.000) 1.071 13.344 ( 0.000 0.173 0.000) 0.173 13.437 ( 0.000 0.771 -0.000) 0.771 13.480 ( 0.000 -1.072 -0.000) 1.072 13.830 ( 0.000 -14.052 0.000) 14.052 13.954 ( -0.000 -10.059 -0.000) 10.059 14.352 ( 0.000 26.445 0.000) 26.445 14.558 ( 0.000 26.153 -0.000) 26.153 15.642 ( 0.000 -0.381 -0.000) 0.381 15.656 ( -0.000 1.307 0.000) 1.307 15.672 ( 0.000 -0.185 0.000) 0.185 15.689 ( 0.000 1.108 -0.000) 1.108 15.792 ( -0.000 0.328 0.000) 0.328 15.817 ( 0.000 0.148 0.000) 0.148 15.996 ( 0.000 0.314 0.000) 0.314 16.031 ( -0.000 0.149 0.000) 0.149 17.233 ( 0.000 -16.353 -0.000) 16.353 17.463 ( -0.000 -3.276 0.000) 3.276 17.526 ( -0.000 -0.583 -0.000) 0.583 17.583 ( 0.000 0.356 0.000) 0.356 17.638 ( -0.000 -21.219 0.000) 21.219 17.753 ( -0.000 -7.006 0.000) 7.006 18.085 ( 0.000 6.147 0.000) 6.147 18.153 ( -0.000 3.966 -0.000) 3.966 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.000 21.655 0.000) 21.655 1.624 ( 0.000 -1.250 0.000) 1.250 1.673 ( 0.000 -1.508 0.000) 1.508 1.810 ( 0.000 12.380 0.000) 12.380 1.916 ( 0.000 22.492 0.000) 22.492 1.976 ( 0.000 -4.150 0.000) 4.150 2.029 ( 0.000 3.775 0.000) 3.775 2.061 ( 0.000 -1.370 0.000) 1.370 2.275 ( 0.000 5.536 0.000) 5.536 2.291 ( 0.000 10.955 0.000) 10.955 2.439 ( 0.000 -14.153 0.000) 14.153 2.557 ( 0.000 2.454 0.000) 2.454 2.580 ( 0.000 -7.664 0.000) 7.664 2.600 ( 0.000 3.279 0.000) 3.279 2.634 ( 0.000 0.089 0.000) 0.089 2.796 ( 0.000 15.324 0.000) 15.324 2.813 ( 0.000 2.637 0.000) 2.637 2.888 ( 0.000 3.637 0.000) 3.637 2.952 ( 0.000 7.339 0.000) 7.339 2.993 ( 0.000 -2.671 0.000) 2.671 3.114 ( 0.000 6.512 0.000) 6.512 3.243 ( 0.000 -2.092 0.000) 2.092 3.325 ( 0.000 -3.448 0.000) 3.448 3.338 ( 0.000 1.885 0.000) 1.885 3.519 ( 0.000 1.267 0.000) 1.267 3.533 ( 0.000 -7.258 0.000) 7.258 3.553 ( 0.000 -4.941 0.000) 4.941 3.688 ( 0.000 0.289 0.000) 0.289 3.720 ( 0.000 -5.961 0.000) 5.961 3.745 ( 0.000 0.835 0.000) 0.835 3.921 ( 0.000 -9.232 0.000) 9.232 4.019 ( 0.000 3.353 0.000) 3.353 4.076 ( 0.000 3.385 0.000) 3.385 4.105 ( 0.000 -3.908 0.000) 3.908 4.258 ( 0.000 -2.824 0.000) 2.824 4.338 ( 0.000 8.063 0.000) 8.063 4.372 ( 0.000 -3.042 0.000) 3.042 4.509 ( 0.000 0.956 0.000) 0.956 4.539 ( 0.000 0.951 0.000) 0.951 4.575 ( 0.000 1.275 0.000) 1.275 4.631 ( 0.000 -1.904 0.000) 1.904 4.785 ( 0.000 -1.599 0.000) 1.599 4.855 ( 0.000 2.431 0.000) 2.431 4.872 ( 0.000 -2.992 0.000) 2.992 4.983 ( 0.000 -1.527 0.000) 1.527 5.005 ( 0.000 -2.904 0.000) 2.904 5.059 ( 0.000 0.460 0.000) 0.460 5.122 ( 0.000 0.721 0.000) 0.721 5.277 ( 0.000 0.483 0.000) 0.483 5.346 ( 0.000 -0.505 0.000) 0.505 5.382 ( 0.000 -2.820 0.000) 2.820 5.528 ( 0.000 -0.494 0.000) 0.494 6.121 ( 0.000 -4.287 0.000) 4.287 6.145 ( 0.000 -4.447 0.000) 4.447 6.219 ( 0.000 -0.095 0.000) 0.095 6.344 ( 0.000 -2.319 0.000) 2.319 6.456 ( 0.000 0.439 0.000) 0.439 6.551 ( 0.000 -3.975 0.000) 3.975 6.686 ( 0.000 1.370 0.000) 1.370 6.770 ( 0.000 -1.274 0.000) 1.274 6.775 ( 0.000 -2.396 0.000) 2.396 6.813 ( 0.000 1.067 0.000) 1.067 6.857 ( 0.000 -3.602 0.000) 3.602 6.971 ( 0.000 0.026 0.000) 0.026 7.064 ( 0.000 -1.547 0.000) 1.547 7.233 ( 0.000 4.542 0.000) 4.542 7.303 ( 0.000 1.835 0.000) 1.835 7.361 ( 0.000 -7.594 0.000) 7.594 7.467 ( 0.000 1.894 0.000) 1.894 7.602 ( 0.000 1.144 0.000) 1.144 7.631 ( 0.000 -1.224 0.000) 1.224 7.678 ( 0.000 -0.654 0.000) 0.654 7.868 ( 0.000 5.376 0.000) 5.376 7.947 ( 0.000 3.180 0.000) 3.180 8.127 ( 0.000 2.043 0.000) 2.043 8.170 ( 0.000 6.772 0.000) 6.772 8.412 ( 0.000 2.417 0.000) 2.417 8.425 ( 0.000 6.702 0.000) 6.702 8.518 ( 0.000 -7.316 0.000) 7.316 8.522 ( 0.000 4.822 0.000) 4.822 10.683 ( 0.000 12.316 0.000) 12.316 11.164 ( 0.000 3.797 0.000) 3.797 11.399 ( 0.000 -14.166 0.000) 14.166 11.453 ( 0.000 -4.748 0.000) 4.748 13.382 ( 0.000 2.242 0.000) 2.242 13.423 ( 0.000 0.854 0.000) 0.854 13.527 ( 0.000 0.540 0.000) 0.540 13.550 ( 0.000 4.017 0.000) 4.017 13.578 ( 0.000 1.665 0.000) 1.665 14.335 ( 0.000 20.126 0.000) 20.126 14.359 ( 0.000 -20.851 0.000) 20.851 14.450 ( 0.000 17.845 0.000) 17.845 15.657 ( 0.000 0.501 0.000) 0.501 15.658 ( 0.000 0.064 0.000) 0.064 15.698 ( 0.000 -0.361 0.000) 0.361 15.742 ( 0.000 1.215 0.000) 1.215 15.818 ( 0.000 -0.104 0.000) 0.104 15.836 ( 0.000 -0.191 0.000) 0.191 15.986 ( 0.000 0.374 0.000) 0.374 16.031 ( 0.000 -1.136 0.000) 1.136 17.347 ( 0.000 -4.087 0.000) 4.087 17.415 ( 0.000 4.325 0.000) 4.325 17.506 ( 0.000 -6.996 0.000) 6.996 17.612 ( 0.000 9.425 0.000) 9.425 17.640 ( 0.000 -8.743 0.000) 8.743 17.649 ( 0.000 -5.426 0.000) 5.426 17.762 ( 0.000 -14.113 0.000) 14.113 18.053 ( 0.000 -2.466 0.000) 2.466 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 8.065 12.883 7.464) 16.933 1.524 ( 2.376 -2.693 -10.028) 10.652 1.721 ( -7.467 -7.335 8.492) 13.478 1.818 ( -3.283 11.611 6.921) 13.910 1.924 ( 1.738 7.834 -2.956) 8.552 1.970 ( 0.084 7.480 -2.045) 7.755 2.026 ( 0.429 9.187 5.389) 10.659 2.119 ( 2.798 1.585 5.346) 6.239 2.184 ( -4.048 3.480 -7.618) 9.302 2.284 ( -1.766 4.395 -0.979) 4.837 2.412 ( -4.262 -4.386 -4.973) 7.882 2.475 ( -5.627 -3.982 1.712) 7.103 2.489 ( -2.400 -2.772 -0.906) 3.776 2.609 ( -4.191 1.988 -3.417) 5.761 2.691 ( -1.131 4.466 1.515) 4.849 2.731 ( -2.010 5.795 -1.250) 6.260 2.799 ( 0.481 4.947 0.375) 4.985 2.825 ( 2.251 4.645 -0.528) 5.189 2.917 ( -3.832 7.070 0.939) 8.096 3.001 ( 2.229 -1.581 -2.981) 4.044 3.189 ( -0.612 5.171 -0.985) 5.299 3.294 ( 6.683 0.823 3.007) 7.375 3.333 ( -0.042 3.580 -0.033) 3.580 3.391 ( 2.484 -4.867 0.328) 5.474 3.488 ( -1.785 -6.058 0.674) 6.351 3.534 ( 0.600 -2.402 -4.511) 5.146 3.570 ( 1.111 -3.100 4.199) 5.337 3.709 ( 1.456 0.260 2.858) 3.218 3.746 ( 2.492 -4.086 -0.038) 4.786 3.772 ( 2.926 2.492 -0.377) 3.861 3.878 ( -2.356 -3.821 0.178) 4.492 4.006 ( -1.558 1.001 -2.522) 3.129 4.014 ( -0.080 1.572 0.032) 1.575 4.181 ( 1.684 -0.955 1.648) 2.542 4.221 ( -3.124 1.632 -2.582) 4.369 4.296 ( 0.465 0.991 -1.842) 2.143 4.393 ( 0.733 1.074 0.032) 1.301 4.456 ( -1.559 1.690 -5.053) 5.551 4.528 ( 0.238 0.063 2.181) 2.195 4.637 ( -3.528 -1.461 1.989) 4.305 4.646 ( 2.252 0.891 4.403) 5.025 4.772 ( -0.251 -3.076 -2.172) 3.774 4.859 ( -0.165 -1.418 0.558) 1.533 4.870 ( 0.886 -1.279 -0.225) 1.572 4.960 ( -0.328 -0.979 -2.905) 3.083 4.992 ( -0.027 -1.114 0.610) 1.270 5.081 ( -0.183 -0.645 1.039) 1.237 5.151 ( 1.780 1.156 -1.911) 2.856 5.279 ( -0.789 -0.986 4.446) 4.621 5.295 ( -2.652 -1.226 -3.378) 4.466 5.400 ( 1.276 -2.588 0.063) 2.887 5.525 ( -0.852 -2.125 0.832) 2.436 6.087 ( -1.263 0.493 2.237) 2.616 6.182 ( 0.941 -2.124 1.753) 2.910 6.205 ( -0.149 -4.625 -1.646) 4.911 6.310 ( -3.259 -4.070 -3.060) 6.046 6.437 ( -0.292 -0.205 -0.821) 0.895 6.529 ( -2.168 -4.058 -0.462) 4.624 6.676 ( -2.272 3.550 2.835) 5.080 6.768 ( 0.334 -1.383 -2.171) 2.595 6.809 ( -0.801 -2.019 3.517) 4.134 6.868 ( 3.656 -1.265 -0.802) 3.950 6.904 ( 5.804 -2.512 2.031) 6.643 6.994 ( 1.619 -0.879 2.974) 3.498 7.041 ( 1.820 -1.459 -5.596) 6.062 7.261 ( -2.519 0.974 1.038) 2.893 7.310 ( 5.668 2.545 2.989) 6.895 7.415 ( 1.403 -2.514 -0.341) 2.899 7.490 ( 2.722 1.208 0.298) 2.993 7.558 ( -2.117 1.452 -2.768) 3.775 7.645 ( -0.996 -0.261 3.002) 3.174 7.716 ( 2.645 -1.041 3.361) 4.402 7.850 ( -2.105 3.195 0.372) 3.844 7.960 ( 0.277 2.342 0.601) 2.434 8.065 ( -5.981 4.038 -0.036) 7.217 8.156 ( 2.255 3.584 -5.054) 6.594 8.202 ( -8.345 2.998 -4.557) 9.969 8.447 ( -2.962 -4.733 -2.428) 6.089 8.588 ( 5.133 4.967 1.793) 7.365 8.634 ( 5.854 5.403 3.969) 8.900 10.672 ( -1.289 12.180 0.607) 12.263 11.040 ( -8.891 9.472 -1.365) 13.062 11.390 ( -0.224 -14.152 -1.709) 14.257 11.576 ( 9.138 -10.264 1.257) 13.800 13.379 ( -1.391 2.125 1.841) 3.136 13.409 ( -1.493 1.382 -3.273) 3.854 13.446 ( -2.612 1.409 0.429) 2.999 13.519 ( -4.413 0.029 -1.522) 4.669 13.571 ( 1.157 2.461 -2.801) 3.904 14.257 ( -7.196 -21.116 -7.568) 23.557 14.490 ( 12.120 22.982 6.588) 26.804 14.639 ( 11.853 21.233 11.263) 26.799 15.655 ( -0.166 0.027 -0.094) 0.193 15.664 ( 0.152 -0.091 0.343) 0.386 15.717 ( 1.815 -0.882 1.348) 2.427 15.747 ( -0.224 0.760 1.092) 1.349 15.777 ( -3.074 0.702 -0.351) 3.173 15.856 ( -0.378 -0.281 -0.711) 0.853 15.921 ( -2.903 0.257 -2.181) 3.640 15.951 ( -3.908 -0.360 -3.179) 5.051 17.289 ( -5.871 -7.988 -3.211) 10.420 17.419 ( -1.756 -3.914 -1.273) 4.475 17.457 ( -2.374 -6.210 -2.068) 6.963 17.576 ( -2.349 -6.908 -5.883) 9.373 17.612 ( -1.454 -1.596 2.096) 3.009 17.716 ( -2.903 -11.064 -2.083) 11.626 17.776 ( 9.360 7.442 6.029) 13.392 18.139 ( 4.957 -2.457 4.838) 7.349 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 7.069 -12.441 -15.850) 21.354 1.593 ( -13.273 -12.331 10.515) 20.948 1.674 ( 0.854 10.454 7.113) 12.673 1.766 ( -12.174 0.291 -4.459) 12.969 1.814 ( 1.160 4.860 -0.639) 5.037 1.946 ( -1.273 7.341 0.038) 7.451 2.001 ( -4.444 -0.347 -9.192) 10.216 2.119 ( -2.083 9.029 2.262) 9.538 2.192 ( -0.030 2.381 -3.923) 4.589 2.239 ( 0.228 1.993 8.045) 8.291 2.366 ( -0.746 1.187 0.155) 1.411 2.426 ( 0.376 5.723 6.754) 8.861 2.496 ( 1.756 -2.828 -1.620) 3.702 2.536 ( 1.446 1.256 -4.587) 4.971 2.641 ( -1.961 8.933 -0.242) 9.149 2.688 ( 0.239 -0.138 1.289) 1.318 2.823 ( -1.244 2.347 -1.930) 3.283 2.869 ( 2.571 6.135 0.041) 6.652 2.943 ( 0.450 7.207 7.749) 10.592 2.961 ( -1.179 0.063 -5.072) 5.208 3.162 ( -1.550 4.032 0.921) 4.417 3.314 ( 0.781 3.704 -5.750) 6.884 3.390 ( 0.904 -1.297 -1.950) 2.510 3.396 ( -0.987 -2.156 2.033) 3.123 3.468 ( -1.770 -5.348 0.647) 5.670 3.480 ( -0.559 -0.488 -0.748) 1.054 3.674 ( 3.491 3.501 5.722) 7.562 3.766 ( 0.247 -2.042 3.700) 4.233 3.792 ( 1.796 5.575 -0.362) 5.868 3.859 ( 8.408 -0.463 -1.236) 8.511 3.906 ( 2.143 -2.580 3.392) 4.770 3.991 ( 0.805 1.699 1.207) 2.234 4.027 ( 1.701 1.965 -2.440) 3.565 4.125 ( -2.633 1.187 -3.167) 4.286 4.159 ( -4.402 0.494 -0.409) 4.449 4.328 ( 2.139 -0.894 -2.051) 3.095 4.395 ( -1.316 -1.620 -1.390) 2.508 4.407 ( 1.557 3.502 -0.265) 3.842 4.552 ( -0.620 1.767 0.038) 1.873 4.571 ( -3.296 0.126 3.870) 5.085 4.668 ( -1.190 -0.250 -0.920) 1.525 4.779 ( -0.003 -4.441 -1.523) 4.695 4.833 ( 1.946 -6.541 2.421) 7.241 4.907 ( -1.147 -2.231 -0.484) 2.555 4.971 ( -1.138 2.626 0.720) 2.952 4.993 ( 4.260 -1.290 -0.706) 4.506 5.062 ( -0.890 -0.465 -0.884) 1.338 5.126 ( -1.279 0.453 -2.456) 2.806 5.205 ( -3.773 -1.463 -2.601) 4.810 5.327 ( 0.242 -0.781 2.977) 3.087 5.419 ( 0.847 -2.702 0.874) 2.964 5.521 ( 0.228 -4.658 -1.051) 4.781 6.106 ( -3.615 -2.065 -2.443) 4.827 6.148 ( 2.143 1.270 2.122) 3.272 6.234 ( 1.614 -3.219 1.157) 3.782 6.258 ( -0.233 -6.068 0.400) 6.086 6.420 ( -1.091 -1.010 -0.623) 1.613 6.480 ( -2.737 -4.951 -0.015) 5.657 6.675 ( -1.259 6.538 4.014) 7.774 6.746 ( 0.030 -0.562 -3.029) 3.081 6.816 ( -1.718 -3.223 2.528) 4.442 6.894 ( 1.215 1.265 0.535) 1.833 6.972 ( 0.041 -0.229 -2.651) 2.661 7.023 ( 2.164 0.308 0.559) 2.256 7.138 ( 6.241 -0.953 -0.488) 6.333 7.227 ( 0.232 -3.550 -0.382) 3.578 7.403 ( -0.187 -0.057 0.604) 0.635 7.425 ( 1.564 0.736 -0.751) 1.885 7.505 ( 2.284 -1.895 -0.490) 3.008 7.592 ( 3.516 2.811 3.639) 5.789 7.649 ( -0.388 -1.062 0.863) 1.422 7.730 ( -3.781 4.477 -3.857) 7.016 7.816 ( -3.688 -1.479 4.697) 6.152 7.930 ( -4.332 -0.385 1.713) 4.675 8.010 ( 1.879 2.317 -0.825) 3.096 8.085 ( -0.990 0.119 -1.212) 1.570 8.165 ( 2.397 4.082 -2.945) 5.575 8.357 ( -3.623 -2.552 -2.683) 5.181 8.669 ( 2.669 7.276 0.345) 7.758 8.746 ( 2.923 6.528 2.295) 7.512 10.656 ( -1.068 11.875 0.629) 11.940 10.890 ( -5.705 14.768 -1.027) 15.865 11.366 ( -0.349 -14.050 -1.659) 14.152 11.732 ( 6.188 -15.359 1.008) 16.589 13.335 ( -1.489 0.789 -1.128) 2.027 13.382 ( -0.550 0.380 -2.150) 2.251 13.436 ( -0.938 -0.159 2.604) 2.772 13.451 ( -1.425 0.202 1.121) 1.824 13.570 ( 1.165 -0.357 0.275) 1.249 13.991 ( -10.332 -15.939 -11.938) 22.435 14.784 ( 10.618 28.336 6.298) 30.909 14.962 ( 10.073 26.704 8.545) 29.793 15.648 ( -0.125 0.073 -0.801) 0.814 15.666 ( -0.081 -0.395 0.138) 0.426 15.708 ( -2.432 1.329 -0.047) 2.772 15.738 ( -0.914 0.918 -1.931) 2.326 15.798 ( -1.153 -0.462 1.378) 1.855 15.806 ( 1.053 -0.548 1.654) 2.036 15.885 ( 2.463 -1.767 3.363) 4.528 15.972 ( 3.153 -1.014 2.877) 4.387 17.052 ( -12.327 -16.899 -8.885) 22.726 17.237 ( -8.483 -22.555 -7.880) 25.353 17.478 ( 2.142 0.674 0.125) 2.249 17.506 ( -0.017 -1.302 -3.227) 3.479 17.593 ( -2.077 -2.469 0.751) 3.312 17.655 ( -2.040 -6.669 -0.744) 7.013 18.023 ( 9.411 7.095 6.905) 13.659 18.242 ( 1.220 -0.302 2.454) 2.757 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 -14.108 -0.000) 14.108 1.492 ( 0.000 -21.021 0.000) 21.021 1.523 ( -0.000 3.817 -0.000) 3.817 1.731 ( 0.000 2.636 0.000) 2.636 1.840 ( -0.000 2.262 0.000) 2.262 1.870 ( 0.000 4.408 -0.000) 4.408 1.999 ( 0.000 4.042 -0.000) 4.042 2.041 ( -0.000 12.691 0.000) 12.691 2.250 ( 0.000 1.025 0.000) 1.025 2.285 ( -0.000 2.104 0.000) 2.104 2.307 ( -0.000 5.229 -0.000) 5.229 2.427 ( 0.000 0.579 -0.000) 0.579 2.509 ( -0.000 -2.264 0.000) 2.264 2.545 ( -0.000 5.041 -0.000) 5.041 2.649 ( -0.000 1.643 -0.000) 1.643 2.772 ( 0.000 5.108 0.000) 5.108 2.802 ( -0.000 1.298 -0.000) 1.298 2.839 ( 0.000 4.627 0.000) 4.627 2.905 ( 0.000 5.386 0.000) 5.386 3.038 ( -0.000 5.049 -0.000) 5.049 3.137 ( 0.000 3.134 0.000) 3.134 3.271 ( 0.000 3.130 -0.000) 3.130 3.364 ( -0.000 1.856 0.000) 1.856 3.394 ( 0.000 -2.933 -0.000) 2.933 3.448 ( 0.000 -4.093 0.000) 4.093 3.500 ( 0.000 2.586 -0.000) 2.586 3.757 ( -0.000 3.958 -0.000) 3.958 3.790 ( -0.000 2.936 0.000) 2.936 3.791 ( 0.000 -0.339 -0.000) 0.339 3.969 ( -0.000 -1.760 -0.000) 1.760 3.979 ( 0.000 3.930 0.000) 3.930 3.997 ( 0.000 6.364 0.000) 6.364 4.010 ( -0.000 -0.356 0.000) 0.356 4.070 ( -0.000 1.015 0.000) 1.015 4.097 ( 0.000 -4.369 -0.000) 4.369 4.325 ( 0.000 -3.071 -0.000) 3.071 4.362 ( -0.000 1.401 0.000) 1.401 4.451 ( 0.000 1.531 0.000) 1.531 4.543 ( -0.000 3.033 -0.000) 3.033 4.566 ( 0.000 1.316 -0.000) 1.316 4.652 ( 0.000 -4.194 0.000) 4.194 4.760 ( -0.000 -4.990 0.000) 4.990 4.854 ( 0.000 -0.735 -0.000) 0.735 4.917 ( 0.000 -9.755 0.000) 9.755 4.953 ( -0.000 4.828 0.000) 4.828 5.034 ( -0.000 -1.287 -0.000) 1.287 5.063 ( 0.000 3.431 0.000) 3.431 5.104 ( -0.000 -0.067 -0.000) 0.067 5.131 ( -0.000 -3.957 -0.000) 3.957 5.336 ( -0.000 -1.062 0.000) 1.062 5.441 ( 0.000 -1.961 -0.000) 1.961 5.511 ( 0.000 -5.685 -0.000) 5.685 6.043 ( 0.000 -1.498 -0.000) 1.498 6.202 ( 0.000 -3.946 0.000) 3.946 6.245 ( 0.000 -1.581 -0.000) 1.581 6.278 ( -0.000 -3.625 0.000) 3.625 6.403 ( 0.000 -1.225 0.000) 1.225 6.446 ( 0.000 -5.724 0.000) 5.724 6.693 ( 0.000 9.598 -0.000) 9.598 6.723 ( -0.000 -0.779 0.000) 0.779 6.810 ( 0.000 -3.551 0.000) 3.551 6.910 ( 0.000 4.457 -0.000) 4.457 6.983 ( 0.000 -0.953 -0.000) 0.953 6.998 ( -0.000 1.548 0.000) 1.548 7.183 ( -0.000 1.535 0.000) 1.535 7.257 ( -0.000 -8.412 0.000) 8.412 7.407 ( 0.000 2.868 -0.000) 2.868 7.446 ( 0.000 -2.588 0.000) 2.588 7.516 ( 0.000 -1.844 -0.000) 1.844 7.643 ( -0.000 -2.073 0.000) 2.073 7.654 ( -0.000 3.455 -0.000) 3.455 7.658 ( -0.000 0.742 0.000) 0.742 7.790 ( 0.000 1.052 -0.000) 1.052 7.898 ( -0.000 -0.731 0.000) 0.731 8.041 ( -0.000 0.795 0.000) 0.795 8.079 ( 0.000 -1.869 -0.000) 1.869 8.179 ( 0.000 4.024 0.000) 4.024 8.301 ( 0.000 0.473 0.000) 0.473 8.694 ( -0.000 7.890 0.000) 7.890 8.782 ( 0.000 6.904 -0.000) 6.904 10.649 ( 0.000 11.718 0.000) 11.718 10.832 ( 0.000 16.376 0.000) 16.376 11.354 ( 0.000 -13.985 0.000) 13.985 11.796 ( -0.000 -16.825 -0.000) 16.825 13.326 ( 0.000 -0.149 -0.000) 0.149 13.348 ( 0.000 -0.066 0.000) 0.066 13.447 ( 0.000 0.116 -0.000) 0.116 13.458 ( -0.000 -0.912 0.000) 0.912 13.632 ( 0.000 -6.242 0.000) 6.242 13.767 ( -0.000 -8.760 -0.000) 8.760 14.917 ( 0.000 31.079 0.000) 31.079 15.095 ( 0.000 28.579 -0.000) 28.579 15.643 ( 0.000 0.377 -0.000) 0.377 15.666 ( 0.000 -0.479 -0.000) 0.479 15.690 ( 0.000 2.022 0.000) 2.022 15.709 ( 0.000 0.870 -0.000) 0.870 15.793 ( -0.000 0.018 0.000) 0.018 15.814 ( 0.000 -0.343 -0.000) 0.343 16.002 ( 0.000 0.219 0.000) 0.219 16.033 ( -0.000 -0.050 -0.000) 0.050 16.841 ( 0.000 -23.397 -0.000) 23.397 17.094 ( -0.000 -28.205 0.000) 28.205 17.485 ( -0.000 -0.493 0.000) 0.493 17.517 ( -0.000 -0.333 -0.000) 0.333 17.568 ( 0.000 -1.511 0.000) 1.511 17.632 ( -0.000 -5.437 0.000) 5.437 18.191 ( 0.000 4.432 0.000) 4.432 18.221 ( -0.000 2.847 -0.000) 2.847 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.000 4.464 0.000) 4.464 1.577 ( 0.000 -2.739 0.000) 2.739 1.688 ( 0.000 11.496 0.000) 11.496 1.822 ( 0.000 -4.702 0.000) 4.702 1.954 ( 0.000 -8.494 0.000) 8.494 1.955 ( 0.000 -4.668 0.000) 4.668 2.178 ( 0.000 6.172 0.000) 6.172 2.220 ( 0.000 13.682 0.000) 13.682 2.303 ( 0.000 -4.851 0.000) 4.851 2.345 ( 0.000 1.984 0.000) 1.984 2.471 ( 0.000 -0.124 0.000) 0.124 2.495 ( 0.000 8.375 0.000) 8.375 2.551 ( 0.000 -4.411 0.000) 4.411 2.617 ( 0.000 -3.177 0.000) 3.177 2.674 ( 0.000 7.200 0.000) 7.200 2.828 ( 0.000 -6.801 0.000) 6.801 2.891 ( 0.000 6.368 0.000) 6.368 2.992 ( 0.000 0.840 0.000) 0.840 3.054 ( 0.000 5.225 0.000) 5.225 3.091 ( 0.000 5.397 0.000) 5.397 3.179 ( 0.000 -1.019 0.000) 1.019 3.229 ( 0.000 4.371 0.000) 4.371 3.277 ( 0.000 -7.536 0.000) 7.536 3.357 ( 0.000 8.649 0.000) 8.649 3.391 ( 0.000 -8.929 0.000) 8.929 3.478 ( 0.000 2.616 0.000) 2.616 3.561 ( 0.000 -9.612 0.000) 9.612 3.591 ( 0.000 -6.739 0.000) 6.739 3.642 ( 0.000 7.059 0.000) 7.059 3.761 ( 0.000 -4.414 0.000) 4.414 3.895 ( 0.000 6.740 0.000) 6.740 4.023 ( 0.000 -5.348 0.000) 5.348 4.088 ( 0.000 3.961 0.000) 3.961 4.172 ( 0.000 5.832 0.000) 5.832 4.176 ( 0.000 -5.072 0.000) 5.072 4.285 ( 0.000 -5.642 0.000) 5.642 4.457 ( 0.000 3.826 0.000) 3.826 4.511 ( 0.000 -2.505 0.000) 2.505 4.553 ( 0.000 3.152 0.000) 3.152 4.598 ( 0.000 -1.701 0.000) 1.701 4.618 ( 0.000 3.956 0.000) 3.956 4.723 ( 0.000 -5.477 0.000) 5.477 4.856 ( 0.000 2.447 0.000) 2.447 4.921 ( 0.000 0.733 0.000) 0.733 4.935 ( 0.000 -1.008 0.000) 1.008 4.980 ( 0.000 -1.069 0.000) 1.069 5.122 ( 0.000 4.924 0.000) 4.924 5.151 ( 0.000 1.788 0.000) 1.788 5.287 ( 0.000 -2.009 0.000) 2.009 5.300 ( 0.000 -4.442 0.000) 4.442 5.352 ( 0.000 4.009 0.000) 4.009 5.461 ( 0.000 -5.744 0.000) 5.744 6.048 ( 0.000 -2.206 0.000) 2.206 6.053 ( 0.000 -2.820 0.000) 2.820 6.264 ( 0.000 2.752 0.000) 2.752 6.309 ( 0.000 -1.820 0.000) 1.820 6.459 ( 0.000 0.320 0.000) 0.320 6.486 ( 0.000 -2.576 0.000) 2.576 6.709 ( 0.000 1.364 0.000) 1.364 6.737 ( 0.000 -1.565 0.000) 1.565 6.756 ( 0.000 0.330 0.000) 0.330 6.791 ( 0.000 -3.032 0.000) 3.032 6.885 ( 0.000 4.833 0.000) 4.833 6.953 ( 0.000 -2.014 0.000) 2.014 7.075 ( 0.000 2.939 0.000) 2.939 7.184 ( 0.000 -7.771 0.000) 7.771 7.311 ( 0.000 1.614 0.000) 1.614 7.323 ( 0.000 0.254 0.000) 0.254 7.524 ( 0.000 3.279 0.000) 3.279 7.582 ( 0.000 -2.519 0.000) 2.519 7.629 ( 0.000 0.811 0.000) 0.811 7.653 ( 0.000 -1.535 0.000) 1.535 7.989 ( 0.000 4.480 0.000) 4.480 7.999 ( 0.000 2.074 0.000) 2.074 8.172 ( 0.000 4.110 0.000) 4.110 8.268 ( 0.000 -0.471 0.000) 0.471 8.384 ( 0.000 -2.405 0.000) 2.405 8.418 ( 0.000 -1.772 0.000) 1.772 8.539 ( 0.000 3.993 0.000) 3.993 8.574 ( 0.000 0.448 0.000) 0.448 10.911 ( 0.000 11.651 0.000) 11.651 11.142 ( 0.000 -12.563 0.000) 12.563 11.250 ( 0.000 5.080 0.000) 5.080 11.353 ( 0.000 -5.449 0.000) 5.449 13.420 ( 0.000 1.404 0.000) 1.404 13.433 ( 0.000 0.011 0.000) 0.011 13.539 ( 0.000 0.619 0.000) 0.619 13.551 ( 0.000 -0.685 0.000) 0.685 13.721 ( 0.000 10.509 0.000) 10.509 13.981 ( 0.000 -16.679 0.000) 16.679 14.656 ( 0.000 11.391 0.000) 11.391 14.713 ( 0.000 6.189 0.000) 6.189 15.659 ( 0.000 0.086 0.000) 0.086 15.662 ( 0.000 -0.158 0.000) 0.158 15.716 ( 0.000 2.730 0.000) 2.730 15.768 ( 0.000 0.155 0.000) 0.155 15.795 ( 0.000 -1.155 0.000) 1.155 15.819 ( 0.000 -1.576 0.000) 1.576 15.996 ( 0.000 0.654 0.000) 0.654 16.011 ( 0.000 -0.923 0.000) 0.923 17.271 ( 0.000 -2.361 0.000) 2.361 17.317 ( 0.000 -7.512 0.000) 7.512 17.485 ( 0.000 3.096 0.000) 3.096 17.547 ( 0.000 -1.316 0.000) 1.316 17.551 ( 0.000 -4.178 0.000) 4.178 17.580 ( 0.000 -5.056 0.000) 5.056 17.825 ( 0.000 9.697 0.000) 9.697 17.974 ( 0.000 -5.823 0.000) 5.823 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -7.634 -0.345 -7.070) 10.411 1.500 ( -12.681 -10.092 5.061) 16.979 1.775 ( 4.733 11.933 7.490) 14.863 1.878 ( 4.254 -0.510 2.298) 4.862 1.982 ( -2.862 3.537 0.292) 4.559 2.026 ( 0.319 -0.363 0.078) 0.490 2.052 ( -0.802 -3.586 -4.813) 6.055 2.181 ( -6.820 -7.074 1.750) 9.980 2.304 ( -6.493 2.319 -4.134) 8.040 2.350 ( 2.361 2.760 -2.488) 4.402 2.380 ( -1.669 9.397 -0.974) 9.594 2.475 ( 1.775 3.509 -0.272) 3.942 2.577 ( -1.508 6.021 1.061) 6.297 2.611 ( -0.723 -0.734 1.047) 1.469 2.678 ( 0.705 -2.077 0.262) 2.209 2.787 ( -4.078 -5.772 3.106) 7.720 2.831 ( -3.969 5.225 0.964) 6.632 2.912 ( -5.545 0.365 -0.718) 5.603 3.039 ( 1.209 6.789 -4.189) 8.068 3.105 ( 0.431 8.052 1.427) 8.189 3.223 ( -1.463 -6.448 -3.779) 7.615 3.280 ( 6.885 -2.019 1.085) 7.256 3.306 ( 2.358 -1.068 2.582) 3.656 3.353 ( -0.013 -5.501 -1.650) 5.743 3.389 ( 4.544 6.956 -1.574) 8.457 3.550 ( -1.117 -0.206 -0.400) 1.204 3.572 ( 3.716 1.366 4.989) 6.369 3.602 ( 0.853 -7.062 0.040) 7.114 3.710 ( 5.590 1.625 3.794) 6.948 3.782 ( 2.350 -4.132 0.820) 4.824 3.897 ( 0.962 6.011 -1.776) 6.341 3.997 ( 0.198 -3.358 -2.508) 4.196 4.078 ( -0.841 4.701 0.248) 4.782 4.173 ( 0.267 -4.111 -0.688) 4.177 4.213 ( 0.377 3.484 3.975) 5.299 4.294 ( -0.585 -3.036 2.758) 4.143 4.414 ( -0.760 2.511 -5.468) 6.065 4.477 ( -0.809 -2.986 -3.150) 4.415 4.548 ( 0.275 4.361 -1.638) 4.667 4.604 ( -1.318 -1.879 1.837) 2.940 4.635 ( 1.274 1.185 2.070) 2.704 4.722 ( -0.500 -5.124 1.049) 5.254 4.859 ( -2.724 3.033 -2.593) 4.832 4.872 ( -0.044 0.988 -1.906) 2.148 4.942 ( 0.239 -0.419 0.741) 0.885 5.002 ( -2.471 -3.119 0.353) 3.994 5.094 ( -0.277 4.774 -0.584) 4.818 5.162 ( 1.406 -0.821 -0.770) 1.801 5.273 ( 0.572 0.395 1.150) 1.344 5.305 ( -0.654 -0.157 -1.536) 1.676 5.340 ( 0.934 0.037 -1.430) 1.708 5.437 ( -1.411 -6.192 -1.596) 6.548 6.079 ( 2.757 -0.143 2.299) 3.593 6.107 ( 2.794 -3.106 2.412) 4.824 6.201 ( -4.065 1.745 -2.364) 5.016 6.246 ( -4.858 -2.765 -2.591) 6.161 6.437 ( -1.417 0.442 -0.646) 1.619 6.465 ( -1.824 -2.481 -0.899) 3.208 6.750 ( -0.292 1.804 0.832) 2.008 6.764 ( 3.053 2.207 0.420) 3.791 6.775 ( 0.326 -1.160 0.019) 1.205 6.835 ( 5.322 -3.373 2.494) 6.777 6.895 ( 0.251 2.844 2.949) 4.105 6.959 ( -0.200 -2.872 3.535) 4.559 7.063 ( 1.000 3.770 -1.917) 4.346 7.174 ( -1.200 -7.038 1.564) 7.309 7.369 ( 3.736 2.521 1.135) 4.647 7.394 ( 3.821 -0.142 -0.559) 3.864 7.542 ( 1.920 2.580 1.449) 3.527 7.566 ( -1.497 -0.144 -0.513) 1.589 7.637 ( -0.396 -0.019 1.435) 1.489 7.669 ( 2.166 -2.970 2.856) 4.655 7.943 ( -4.364 4.571 -0.680) 6.356 7.985 ( -2.960 0.068 0.778) 3.062 8.143 ( -3.237 4.255 -3.391) 6.331 8.207 ( -3.479 -0.232 -5.472) 6.488 8.250 ( -4.801 2.832 -3.577) 6.623 8.330 ( -1.790 -5.829 -1.558) 6.293 8.676 ( 6.757 3.223 2.387) 7.857 8.698 ( 6.787 1.068 3.596) 7.755 10.900 ( -1.133 11.667 0.059) 11.722 11.131 ( -0.807 -12.459 -0.505) 12.495 11.215 ( -2.955 8.718 -0.031) 9.205 11.389 ( 2.561 -9.308 0.884) 9.694 13.414 ( -1.373 1.340 1.234) 2.281 13.426 ( -0.867 0.188 -1.496) 1.739 13.473 ( -4.371 1.433 0.173) 4.603 13.500 ( -4.500 -1.396 -0.392) 4.728 13.679 ( -1.152 8.615 -5.746) 10.419 13.906 ( -4.160 -15.096 -6.857) 17.094 14.864 ( 15.886 13.770 9.520) 23.078 14.938 ( 16.504 7.162 11.501) 21.353 15.658 ( -0.399 0.183 0.581) 0.729 15.661 ( -0.333 -0.129 0.453) 0.577 15.712 ( -0.438 1.163 -0.550) 1.359 15.750 ( -1.653 -1.251 -0.668) 2.178 15.791 ( -1.013 1.253 1.994) 2.564 15.829 ( -0.717 -2.322 1.615) 2.917 15.926 ( -4.117 0.413 -2.883) 5.043 15.938 ( -4.286 -0.809 -3.027) 5.309 17.145 ( -10.356 -4.420 -7.052) 13.285 17.189 ( -9.730 -9.179 -7.870) 15.520 17.488 ( 0.310 2.781 0.397) 2.827 17.527 ( -0.183 0.163 -2.465) 2.478 17.548 ( -0.482 -3.501 0.503) 3.570 17.572 ( -0.238 -4.560 -1.124) 4.703 17.942 ( 7.799 8.053 5.979) 12.705 18.068 ( 6.057 -5.022 5.066) 9.358 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -3.096 -4.689 -8.549) 10.230 1.298 ( -14.668 -13.122 7.402) 21.027 1.764 ( -8.973 3.477 -8.090) 12.572 1.826 ( -7.147 -0.320 -4.390) 8.394 1.909 ( -6.497 -0.944 -3.298) 7.347 1.951 ( -5.180 -2.928 -1.378) 6.108 2.016 ( 3.996 10.702 6.767) 13.278 2.193 ( -0.249 -2.679 -0.952) 2.854 2.212 ( 1.164 -0.413 1.680) 2.085 2.243 ( -1.230 -3.071 3.427) 4.763 2.464 ( 2.099 6.867 -5.559) 9.081 2.508 ( -1.702 4.529 -2.972) 5.678 2.557 ( 4.997 1.576 -1.455) 5.438 2.638 ( -0.390 -4.263 -0.532) 4.314 2.659 ( -1.300 12.916 9.399) 16.026 2.774 ( -1.131 3.267 -1.123) 3.635 2.797 ( -1.057 -1.169 0.961) 1.846 2.879 ( -2.190 -6.984 5.700) 9.277 3.006 ( 0.072 5.855 -1.829) 6.134 3.146 ( 0.136 8.045 3.028) 8.597 3.166 ( 1.184 -7.066 -3.024) 7.777 3.303 ( 1.385 2.009 -4.887) 5.463 3.339 ( -0.448 -0.868 1.926) 2.160 3.449 ( 5.494 -0.093 -1.499) 5.696 3.454 ( 2.340 2.739 -1.240) 3.810 3.509 ( -2.277 8.074 3.926) 9.262 3.625 ( 1.928 -10.218 -0.749) 10.425 3.665 ( 1.082 -5.700 3.879) 6.979 3.863 ( 5.194 1.902 1.624) 5.765 3.879 ( 6.098 0.184 4.149) 7.378 3.904 ( 2.309 4.565 -0.432) 5.134 4.002 ( 1.005 -4.454 -0.304) 4.576 4.079 ( -0.146 5.548 2.605) 6.131 4.155 ( -1.324 -0.438 -1.874) 2.337 4.224 ( -1.428 5.627 0.923) 5.878 4.323 ( 0.955 -0.660 2.242) 2.525 4.336 ( -1.410 -0.218 -7.119) 7.260 4.460 ( -0.008 -6.205 1.397) 6.360 4.533 ( 0.804 3.665 -2.532) 4.527 4.602 ( -0.070 -0.772 0.243) 0.813 4.644 ( -3.154 1.493 -0.293) 3.502 4.738 ( -3.255 2.834 -2.351) 4.915 4.742 ( 0.450 -5.057 2.510) 5.663 4.826 ( -3.013 -4.922 -1.561) 5.978 4.972 ( 2.103 -0.063 0.848) 2.269 5.002 ( 1.882 -2.639 2.092) 3.858 5.078 ( -0.805 4.283 -2.211) 4.887 5.136 ( -1.032 -0.622 -3.812) 3.998 5.242 ( -2.757 4.793 -1.576) 5.750 5.333 ( 0.694 -0.003 -2.284) 2.387 5.361 ( 1.617 -2.629 4.074) 5.111 5.411 ( 1.308 -5.334 -2.417) 6.001 6.096 ( -3.699 1.037 -2.407) 4.534 6.140 ( -2.999 -2.961 -1.523) 4.481 6.168 ( 4.294 -0.623 0.887) 4.429 6.188 ( 1.608 -2.060 3.962) 4.747 6.400 ( -2.117 -0.544 -0.625) 2.273 6.413 ( -2.741 -2.050 -0.754) 3.505 6.734 ( -0.755 0.808 -0.647) 1.281 6.762 ( -1.053 -2.085 0.032) 2.336 6.831 ( 0.901 6.383 4.655) 7.951 6.901 ( 0.265 -1.059 4.597) 4.725 6.986 ( 2.907 1.734 -0.074) 3.386 7.032 ( 6.253 -0.595 1.896) 6.561 7.102 ( 4.094 -0.592 -2.481) 4.824 7.153 ( -1.782 -4.002 1.248) 4.555 7.396 ( 0.656 0.704 -2.892) 3.048 7.424 ( 2.149 -1.659 -1.723) 3.215 7.517 ( -2.113 3.056 -1.331) 3.946 7.585 ( -0.667 -3.313 0.911) 3.500 7.675 ( 1.030 3.880 4.991) 6.405 7.756 ( -2.002 -4.128 6.485) 7.944 7.829 ( -3.809 4.955 -2.690) 6.804 7.902 ( -4.538 -2.484 -0.759) 5.229 8.061 ( -0.584 2.005 -2.730) 3.437 8.083 ( -2.144 -0.429 -3.250) 3.917 8.239 ( 2.188 3.583 -1.945) 4.627 8.303 ( -0.132 -3.043 -1.291) 3.309 8.785 ( 3.424 4.225 0.969) 5.524 8.819 ( 3.487 0.946 1.788) 4.031 10.879 ( -1.017 11.567 0.092) 11.612 11.110 ( -0.811 -12.479 -0.516) 12.516 11.165 ( -2.228 13.991 0.067) 14.168 11.441 ( 1.925 -14.734 0.980) 14.892 13.356 ( -2.720 1.351 -1.611) 3.438 13.379 ( -2.211 -0.797 -2.114) 3.161 13.441 ( -2.621 0.626 3.866) 4.712 13.452 ( -1.923 -0.300 3.273) 3.808 13.602 ( -0.282 4.105 -5.627) 6.970 13.738 ( -4.309 -10.139 -9.561) 14.587 15.289 ( 17.259 21.893 8.509) 29.147 15.409 ( 19.729 15.494 8.854) 26.602 15.652 ( -0.589 0.467 -0.523) 0.916 15.659 ( -0.663 -0.108 0.889) 1.115 15.691 ( -0.185 -3.982 1.550) 4.277 15.721 ( 0.237 -3.362 -1.440) 3.665 15.800 ( -1.279 1.157 6.274) 6.507 15.806 ( -2.701 0.733 3.776) 4.700 15.848 ( -1.607 -0.745 -0.892) 1.983 15.918 ( 1.171 -5.078 4.863) 7.128 16.782 ( -17.220 -7.836 -14.689) 23.952 16.849 ( -14.668 -14.493 -14.364) 25.130 17.501 ( 0.326 1.786 -0.384) 1.856 17.508 ( 0.495 1.158 -0.845) 1.516 17.543 ( -0.622 -2.420 0.468) 2.542 17.555 ( -0.531 -3.874 -0.777) 3.987 18.142 ( 6.816 5.086 5.363) 10.054 18.216 ( 4.044 -2.545 3.794) 6.101 ======================= Grid point 31 (20/80) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.000 -10.295 -0.000) 10.295 1.168 ( 0.000 -10.949 0.000) 10.949 1.604 ( 0.000 4.856 -0.000) 4.856 1.707 ( 0.000 -4.904 0.000) 4.904 1.835 ( -0.000 0.744 0.000) 0.744 1.874 ( 0.000 -2.321 0.000) 2.321 2.116 ( 0.000 6.004 0.000) 6.004 2.194 ( -0.000 0.461 -0.000) 0.461 2.245 ( 0.000 0.593 0.000) 0.593 2.256 ( -0.000 -0.746 -0.000) 0.746 2.440 ( 0.000 2.016 -0.000) 2.016 2.454 ( -0.000 5.130 0.000) 5.130 2.611 ( 0.000 0.874 0.000) 0.874 2.634 ( -0.000 1.586 -0.000) 1.586 2.672 ( 0.000 8.687 -0.000) 8.687 2.782 ( -0.000 -1.964 0.000) 1.964 2.820 ( 0.000 -0.169 0.000) 0.169 2.845 ( -0.000 -1.663 0.000) 1.663 3.018 ( 0.000 5.599 0.000) 5.599 3.148 ( -0.000 -8.772 0.000) 8.772 3.202 ( 0.000 4.759 -0.000) 4.759 3.275 ( 0.000 10.726 0.000) 10.726 3.344 ( 0.000 -2.884 0.000) 2.884 3.445 ( 0.000 2.366 -0.000) 2.366 3.474 ( -0.000 5.671 0.000) 5.671 3.545 ( 0.000 4.018 -0.000) 4.018 3.639 ( -0.000 -11.054 0.000) 11.054 3.693 ( 0.000 -6.881 -0.000) 6.881 3.904 ( -0.000 4.563 -0.000) 4.563 3.963 ( -0.000 -1.619 0.000) 1.619 3.989 ( -0.000 -0.969 0.000) 0.969 3.990 ( 0.000 -2.247 -0.000) 2.247 4.097 ( -0.000 6.337 -0.000) 6.337 4.135 ( 0.000 3.240 0.000) 3.240 4.198 ( -0.000 9.627 -0.000) 9.627 4.271 ( 0.000 -2.027 -0.000) 2.027 4.347 ( 0.000 -1.182 0.000) 1.182 4.480 ( 0.000 -11.563 0.000) 11.563 4.529 ( 0.000 5.754 0.000) 5.754 4.592 ( -0.000 0.146 -0.000) 0.146 4.605 ( -0.000 2.806 0.000) 2.806 4.672 ( -0.000 -3.471 -0.000) 3.471 4.788 ( 0.000 -3.577 0.000) 3.577 4.801 ( -0.000 -3.720 -0.000) 3.720 4.988 ( -0.000 -0.171 -0.000) 0.171 5.024 ( -0.000 -3.039 0.000) 3.039 5.067 ( -0.000 4.082 0.000) 4.082 5.125 ( 0.000 -1.037 -0.000) 1.037 5.184 ( 0.000 7.024 0.000) 7.024 5.312 ( 0.000 -3.878 -0.000) 3.878 5.408 ( -0.000 -2.493 0.000) 2.493 5.413 ( 0.000 -1.162 -0.000) 1.162 6.045 ( 0.000 1.592 -0.000) 1.592 6.105 ( -0.000 -4.608 0.000) 4.608 6.223 ( 0.000 -0.449 -0.000) 0.449 6.233 ( -0.000 -1.405 0.000) 1.405 6.369 ( 0.000 -1.246 -0.000) 1.246 6.373 ( -0.000 -1.891 0.000) 1.891 6.723 ( 0.000 0.758 -0.000) 0.758 6.750 ( -0.000 -1.990 0.000) 1.990 6.868 ( -0.000 5.728 0.000) 5.728 6.942 ( 0.000 -2.168 0.000) 2.168 7.007 ( 0.000 4.465 0.000) 4.465 7.074 ( -0.000 5.661 0.000) 5.661 7.119 ( -0.000 -5.048 0.000) 5.048 7.185 ( -0.000 -2.735 0.000) 2.735 7.387 ( 0.000 -0.804 -0.000) 0.804 7.438 ( -0.000 -4.753 -0.000) 4.753 7.485 ( 0.000 4.716 0.000) 4.716 7.577 ( -0.000 -4.503 0.000) 4.503 7.692 ( -0.000 1.811 0.000) 1.811 7.706 ( 0.000 0.931 0.000) 0.931 7.821 ( 0.000 2.244 -0.000) 2.244 7.867 ( -0.000 -2.253 0.000) 2.253 8.053 ( -0.000 0.213 0.000) 0.213 8.055 ( 0.000 -0.367 -0.000) 0.367 8.254 ( 0.000 3.179 0.000) 3.179 8.295 ( 0.000 -1.145 0.000) 1.145 8.819 ( -0.000 4.641 0.000) 4.641 8.858 ( 0.000 0.865 -0.000) 0.865 10.870 ( 0.000 11.463 0.000) 11.463 11.099 ( 0.000 -12.501 -0.000) 12.501 11.144 ( 0.000 16.286 0.000) 16.286 11.465 ( -0.000 -17.090 -0.000) 17.090 13.327 ( 0.000 0.319 0.000) 0.319 13.338 ( -0.000 -0.724 0.000) 0.724 13.446 ( 0.000 0.038 -0.000) 0.038 13.449 ( -0.000 -0.181 0.000) 0.181 13.580 ( 0.000 0.301 0.000) 0.301 13.632 ( -0.000 -5.033 -0.000) 5.033 15.482 ( 0.000 23.824 -0.000) 23.824 15.572 ( 0.000 15.244 0.000) 15.244 15.654 ( -0.000 -0.789 0.000) 0.789 15.654 ( 0.000 0.829 -0.000) 0.829 15.721 ( -0.000 1.009 0.000) 1.009 15.742 ( -0.000 3.282 -0.000) 3.282 15.803 ( 0.000 1.590 0.000) 1.590 15.818 ( 0.000 2.062 -0.000) 2.062 16.001 ( 0.000 -0.533 0.000) 0.533 16.021 ( -0.000 -2.061 -0.000) 2.061 16.410 ( 0.000 -15.812 -0.000) 15.812 16.555 ( -0.000 -25.100 0.000) 25.100 17.496 ( 0.000 1.538 -0.000) 1.538 17.518 ( 0.000 0.528 -0.000) 0.528 17.537 ( 0.000 -1.440 0.000) 1.440 17.545 ( -0.000 -3.575 0.000) 3.575 18.250 ( 0.000 1.675 0.000) 1.675 18.257 ( -0.000 0.840 -0.000) 0.840 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 8.844 0.000 29.532) 30.828 0.605 ( -12.446 0.000 32.713) 35.001 0.757 ( 4.882 0.000 39.676) 39.975 1.488 ( -3.544 0.000 3.148) 4.741 1.738 ( -6.136 0.000 -1.624) 6.347 1.821 ( -1.969 0.000 5.036) 5.407 1.898 ( 1.361 0.000 3.280) 3.551 2.009 ( 1.049 0.000 -0.564) 1.191 2.046 ( 1.096 0.000 0.505) 1.207 2.107 ( 7.365 0.000 -12.874) 14.832 2.258 ( -11.530 0.000 -7.894) 13.974 2.336 ( -1.062 0.000 -3.966) 4.105 2.390 ( 2.737 0.000 3.396) 4.362 2.404 ( 0.550 0.000 -8.834) 8.851 2.491 ( -1.080 0.000 0.448) 1.170 2.496 ( 9.064 0.000 3.201) 9.612 2.856 ( 0.882 0.000 -3.643) 3.748 2.918 ( 3.157 0.000 -10.659) 11.117 2.993 ( 1.595 0.000 3.723) 4.051 3.077 ( 0.607 0.000 1.149) 1.300 3.101 ( 0.549 0.000 5.823) 5.849 3.208 ( -1.373 0.000 2.440) 2.800 3.217 ( -1.382 0.000 1.446) 2.000 3.609 ( 0.948 0.000 -7.573) 7.632 3.632 ( -8.190 0.000 -7.777) 11.294 3.636 ( -0.260 0.000 -9.284) 9.287 3.643 ( 0.932 0.000 -3.638) 3.756 3.712 ( 6.774 0.000 -0.857) 6.828 3.820 ( 0.029 0.000 3.406) 3.406 3.915 ( 1.652 0.000 3.969) 4.300 3.934 ( -1.550 0.000 -2.629) 3.052 3.990 ( -1.267 0.000 7.810) 7.912 4.005 ( -0.079 0.000 4.171) 4.171 4.126 ( -0.028 0.000 2.230) 2.230 4.194 ( 1.029 0.000 -0.842) 1.329 4.266 ( -3.231 0.000 -2.209) 3.914 4.382 ( -5.139 0.000 -2.949) 5.925 4.445 ( -3.313 0.000 -2.147) 3.947 4.466 ( 0.693 0.000 0.056) 0.696 4.540 ( 2.001 0.000 -2.130) 2.922 4.779 ( -1.200 0.000 -6.242) 6.357 4.795 ( -2.789 0.000 -5.564) 6.223 4.869 ( -0.182 0.000 2.938) 2.943 4.976 ( 3.206 0.000 1.846) 3.700 5.015 ( 4.801 0.000 3.937) 6.209 5.072 ( -3.066 0.000 1.251) 3.311 5.166 ( 0.142 0.000 1.738) 1.744 5.204 ( -0.009 0.000 -0.842) 0.842 5.299 ( 7.462 0.000 4.958) 8.958 5.319 ( -0.247 0.000 6.439) 6.444 5.825 ( -2.301 0.000 6.608) 6.997 5.935 ( 1.605 0.000 -0.490) 1.678 5.998 ( -3.392 0.000 2.319) 4.109 6.161 ( -0.551 0.000 -0.492) 0.739 6.439 ( 0.436 0.000 -7.088) 7.102 6.534 ( 29.552 0.000 0.067) 29.552 6.618 ( 2.658 0.000 3.594) 4.470 6.767 ( 1.714 0.000 -0.255) 1.733 6.812 ( -20.828 0.000 -2.085) 20.932 6.847 ( -0.009 0.000 -4.410) 4.410 6.857 ( -0.191 0.000 1.798) 1.808 6.874 ( -4.516 0.000 -0.404) 4.534 6.944 ( 3.532 0.000 -1.029) 3.679 7.079 ( -1.059 0.000 5.417) 5.519 7.116 ( 8.268 0.000 -0.625) 8.292 7.137 ( 2.197 0.000 3.586) 4.206 7.255 ( -5.940 0.000 -2.306) 6.372 7.341 ( -7.924 0.000 -2.963) 8.460 7.343 ( 2.043 0.000 -4.088) 4.570 7.469 ( -5.788 0.000 -3.212) 6.619 7.562 ( 7.447 0.000 -2.064) 7.728 7.705 ( -1.657 0.000 -4.011) 4.340 7.751 ( 0.464 0.000 4.302) 4.327 7.913 ( -4.528 0.000 6.076) 7.578 7.999 ( 2.249 0.000 -0.955) 2.443 8.113 ( 1.199 0.000 -2.786) 3.033 8.265 ( 1.832 0.000 4.920) 5.250 8.325 ( 1.222 0.000 5.382) 5.519 8.474 ( -11.063 0.000 -1.956) 11.235 8.707 ( -1.321 0.000 -4.129) 4.335 10.062 ( -0.009 0.000 0.098) 0.099 10.069 ( 0.024 0.000 -0.108) 0.111 11.630 ( 12.437 0.000 3.058) 12.808 12.007 ( -4.352 0.000 -7.830) 8.958 13.245 ( 0.704 0.000 2.501) 2.598 13.399 ( 0.388 0.000 0.453) 0.597 13.411 ( -0.075 0.000 -0.337) 0.346 13.425 ( 0.215 0.000 -0.408) 0.461 13.493 ( -1.486 0.000 -1.847) 2.370 13.528 ( 0.006 0.000 -0.980) 0.980 13.837 ( 3.832 0.000 19.675) 20.044 15.443 ( 5.376 0.000 -26.334) 26.877 15.617 ( 0.533 0.000 1.474) 1.567 15.648 ( 1.119 0.000 1.631) 1.978 15.664 ( -0.520 0.000 0.796) 0.951 15.678 ( -0.337 0.000 -0.502) 0.605 15.801 ( 1.680 0.000 -0.445) 1.738 15.808 ( -12.181 0.000 0.253) 12.183 15.825 ( 1.028 0.000 -0.707) 1.248 15.925 ( -13.695 0.000 -7.022) 15.390 16.935 ( 4.676 0.000 24.067) 24.517 17.450 ( -0.715 0.000 -2.170) 2.284 17.454 ( 3.316 0.000 2.580) 4.202 17.715 ( -0.177 0.000 2.522) 2.528 17.884 ( -0.003 0.000 -2.016) 2.016 18.127 ( -2.587 0.000 -9.130) 9.490 18.317 ( 8.805 0.000 2.108) 9.054 18.437 ( -0.769 0.000 -0.949) 1.221 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -1.819 0.000 27.471) 27.531 0.845 ( 0.675 0.000 29.500) 29.507 1.406 ( 15.903 0.000 21.250) 26.542 1.467 ( -0.489 0.000 -4.786) 4.811 1.562 ( -6.503 0.000 -7.960) 10.279 1.808 ( -10.796 0.000 -3.497) 11.348 1.891 ( 5.528 0.000 9.465) 10.961 2.014 ( -8.483 0.000 0.221) 8.486 2.066 ( 1.857 0.000 -2.691) 3.269 2.121 ( 8.515 0.000 -13.288) 15.782 2.154 ( 11.010 0.000 5.003) 12.094 2.299 ( 1.775 0.000 -2.096) 2.747 2.356 ( 3.686 0.000 -9.270) 9.976 2.445 ( -3.245 0.000 -1.995) 3.809 2.468 ( 1.460 0.000 4.007) 4.264 2.672 ( 6.629 0.000 2.087) 6.950 2.791 ( -2.641 0.000 -4.801) 5.480 2.853 ( 2.096 0.000 -11.846) 12.030 3.072 ( -3.592 0.000 2.901) 4.618 3.076 ( -1.421 0.000 3.950) 4.198 3.168 ( -3.237 0.000 -2.311) 3.977 3.181 ( -1.310 0.000 5.961) 6.103 3.216 ( 6.855 0.000 2.423) 7.270 3.465 ( -2.231 0.000 -3.418) 4.081 3.486 ( -7.105 0.000 -9.521) 11.880 3.560 ( -1.648 0.000 -3.604) 3.963 3.618 ( -1.207 0.000 -3.290) 3.504 3.759 ( 3.619 0.000 -8.112) 8.883 3.832 ( -1.675 0.000 1.341) 2.146 3.887 ( -0.026 0.000 1.971) 1.971 3.953 ( -4.599 0.000 4.916) 6.732 3.976 ( -2.369 0.000 4.556) 5.135 4.049 ( 0.943 0.000 3.506) 3.631 4.172 ( -3.833 0.000 -1.027) 3.968 4.174 ( 0.753 0.000 2.549) 2.658 4.230 ( 4.034 0.000 -1.631) 4.352 4.345 ( 0.957 0.000 1.275) 1.594 4.358 ( -3.263 0.000 -3.477) 4.768 4.508 ( 4.619 0.000 -0.844) 4.696 4.584 ( -0.911 0.000 2.092) 2.281 4.671 ( -0.980 0.000 -6.313) 6.388 4.737 ( 0.931 0.000 -0.610) 1.113 4.872 ( -4.522 0.000 0.722) 4.580 4.990 ( -2.463 0.000 1.045) 2.675 4.998 ( -5.685 0.000 0.952) 5.764 5.138 ( 0.018 0.000 -1.084) 1.084 5.139 ( 1.948 0.000 3.429) 3.944 5.195 ( 2.201 0.000 -2.906) 3.645 5.371 ( 0.714 0.000 2.661) 2.755 5.468 ( 4.911 0.000 3.887) 6.263 5.814 ( -5.410 0.000 7.818) 9.508 5.965 ( -6.162 0.000 3.125) 6.910 6.027 ( 6.065 0.000 2.680) 6.631 6.151 ( -0.027 0.000 -1.386) 1.386 6.212 ( -25.632 0.000 7.357) 26.667 6.380 ( 1.009 0.000 -8.437) 8.498 6.644 ( -3.639 0.000 5.400) 6.512 6.741 ( -0.325 0.000 -3.650) 3.664 6.768 ( -2.516 0.000 -5.364) 5.925 6.775 ( -0.304 0.000 0.371) 0.480 6.861 ( 4.919 0.000 -4.163) 6.444 6.981 ( 6.379 0.000 3.645) 7.347 6.997 ( 3.012 0.000 0.074) 3.013 7.121 ( 0.028 0.000 5.756) 5.756 7.140 ( -1.992 0.000 -1.320) 2.389 7.164 ( 1.436 0.000 -0.247) 1.457 7.280 ( 2.036 0.000 -1.314) 2.423 7.323 ( -1.514 0.000 -7.137) 7.296 7.395 ( 7.677 0.000 1.876) 7.903 7.397 ( 4.526 0.000 -0.976) 4.630 7.616 ( -2.140 0.000 -5.692) 6.081 7.678 ( 7.123 0.000 -2.374) 7.508 7.803 ( 0.244 0.000 4.812) 4.818 7.870 ( -5.726 0.000 4.213) 7.109 7.992 ( 0.268 0.000 -4.654) 4.662 8.120 ( -0.070 0.000 1.061) 1.063 8.255 ( -9.112 0.000 5.339) 10.560 8.337 ( 0.195 0.000 4.404) 4.408 8.397 ( -0.381 0.000 7.147) 7.157 8.584 ( -6.168 0.000 -6.403) 8.891 10.064 ( 0.180 0.000 0.107) 0.209 10.070 ( 0.182 0.000 -0.123) 0.219 11.906 ( 2.339 0.000 -8.086) 8.417 12.045 ( 21.539 0.000 -8.398) 23.119 13.335 ( 4.663 0.000 3.016) 5.554 13.405 ( 0.149 0.000 -0.675) 0.692 13.407 ( 0.232 0.000 -0.206) 0.310 13.422 ( -0.019 0.000 -0.413) 0.413 13.522 ( 6.009 0.000 -2.427) 6.481 13.587 ( 9.454 0.000 -0.502) 9.468 14.081 ( -1.725 0.000 24.179) 24.240 15.043 ( -14.447 0.000 -32.935) 35.964 15.655 ( 1.507 0.000 1.559) 2.168 15.663 ( -0.812 0.000 1.618) 1.810 15.668 ( -0.926 0.000 1.352) 1.639 15.687 ( 0.951 0.000 1.084) 1.442 15.734 ( -0.489 0.000 -0.420) 0.644 15.747 ( -1.936 0.000 -0.590) 2.024 15.858 ( 4.114 0.000 2.239) 4.684 15.888 ( 5.478 0.000 1.768) 5.756 17.237 ( 6.287 0.000 14.092) 15.431 17.428 ( 0.998 0.000 -2.307) 2.514 17.591 ( 4.753 0.000 9.401) 10.534 17.694 ( -4.512 0.000 0.204) 4.517 17.840 ( -1.644 0.000 -2.272) 2.804 17.967 ( -2.075 0.000 -12.210) 12.385 18.320 ( -6.718 0.000 2.075) 7.032 18.341 ( -7.130 0.000 -2.227) 7.470 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -2.166 0.000 18.997) 19.120 1.124 ( -0.887 0.000 24.117) 24.134 1.245 ( -0.169 0.000 -16.523) 16.524 1.531 ( -7.131 0.000 6.370) 9.562 1.538 ( 1.883 0.000 1.269) 2.271 1.659 ( -5.344 0.000 4.797) 7.181 1.886 ( -7.919 0.000 3.322) 8.588 2.059 ( 4.198 0.000 -7.015) 8.175 2.138 ( 10.153 0.000 -11.834) 15.593 2.204 ( 8.445 0.000 -0.546) 8.462 2.316 ( -2.594 0.000 -0.925) 2.754 2.343 ( 3.431 0.000 -6.988) 7.785 2.427 ( 6.869 0.000 8.612) 11.016 2.469 ( 10.014 0.000 7.060) 12.253 2.513 ( 0.069 0.000 2.147) 2.148 2.703 ( -1.712 0.000 -2.562) 3.081 2.738 ( -0.072 0.000 -6.106) 6.107 2.771 ( 1.286 0.000 -7.641) 7.748 2.977 ( -4.325 0.000 -1.531) 4.588 3.006 ( -4.879 0.000 -1.075) 4.996 3.155 ( 2.096 0.000 -3.116) 3.755 3.233 ( 2.101 0.000 4.389) 4.866 3.249 ( -6.995 0.000 -3.361) 7.760 3.405 ( 6.346 0.000 -0.293) 6.353 3.450 ( -7.854 0.000 0.775) 7.892 3.509 ( 5.284 0.000 2.665) 5.919 3.546 ( -1.930 0.000 0.689) 2.049 3.741 ( 0.930 0.000 -5.390) 5.469 3.819 ( -0.519 0.000 1.049) 1.170 3.883 ( -5.243 0.000 -4.669) 7.021 3.924 ( 0.769 0.000 1.237) 1.457 3.927 ( -4.182 0.000 2.751) 5.006 4.064 ( -2.698 0.000 5.389) 6.026 4.196 ( 1.882 0.000 6.038) 6.325 4.203 ( 3.013 0.000 -1.200) 3.243 4.265 ( -2.816 0.000 -3.782) 4.715 4.298 ( 4.048 0.000 -1.220) 4.228 4.388 ( 1.179 0.000 2.373) 2.650 4.517 ( -6.187 0.000 1.113) 6.286 4.601 ( 6.577 0.000 -2.144) 6.918 4.667 ( 1.596 0.000 0.693) 1.740 4.783 ( -3.563 0.000 0.009) 3.563 4.789 ( 1.727 0.000 2.943) 3.412 4.888 ( -5.479 0.000 -0.916) 5.555 4.942 ( -2.354 0.000 -0.188) 2.362 5.084 ( -4.141 0.000 -1.778) 4.507 5.143 ( -1.032 0.000 2.525) 2.727 5.275 ( 4.218 0.000 -0.150) 4.220 5.380 ( 1.224 0.000 -4.636) 4.795 5.542 ( 1.669 0.000 -1.447) 2.208 5.705 ( -16.866 0.000 -1.323) 16.918 5.746 ( -10.199 0.000 5.297) 11.493 6.093 ( 0.016 0.000 1.258) 1.258 6.143 ( 2.454 0.000 -2.885) 3.787 6.182 ( 5.547 0.000 6.875) 8.834 6.358 ( 4.458 0.000 -4.498) 6.333 6.628 ( -5.007 0.000 7.329) 8.876 6.677 ( -2.303 0.000 -2.924) 3.722 6.720 ( -0.313 0.000 1.158) 1.200 6.774 ( -0.705 0.000 1.712) 1.851 6.918 ( 5.925 0.000 -5.108) 7.823 7.015 ( 1.361 0.000 -7.439) 7.563 7.065 ( 1.987 0.000 1.710) 2.621 7.114 ( 0.501 0.000 -2.164) 2.221 7.181 ( 0.562 0.000 2.435) 2.499 7.187 ( 1.394 0.000 -0.292) 1.424 7.291 ( 0.924 0.000 1.622) 1.866 7.296 ( 1.066 0.000 0.266) 1.099 7.457 ( 1.995 0.000 -0.961) 2.215 7.499 ( 0.745 0.000 3.068) 3.157 7.577 ( 2.963 0.000 -2.392) 3.808 7.730 ( -1.346 0.000 -2.715) 3.031 7.828 ( 0.643 0.000 2.922) 2.992 7.847 ( -0.818 0.000 4.516) 4.589 7.953 ( 1.478 0.000 -5.563) 5.756 8.111 ( -1.741 0.000 0.350) 1.776 8.229 ( 0.388 0.000 3.285) 3.308 8.335 ( -2.387 0.000 0.458) 2.431 8.393 ( -7.311 0.000 -5.571) 9.191 8.437 ( -2.665 0.000 5.772) 6.358 10.069 ( 0.177 0.000 0.094) 0.201 10.073 ( 0.224 0.000 -0.096) 0.243 11.937 ( 5.327 0.000 -0.690) 5.371 12.254 ( 9.031 0.000 -1.647) 9.180 13.400 ( 0.167 0.000 -0.810) 0.827 13.403 ( 1.124 0.000 0.883) 1.429 13.411 ( 0.370 0.000 -0.284) 0.466 13.417 ( -0.116 0.000 -0.453) 0.467 13.610 ( 6.921 0.000 -5.830) 9.049 13.907 ( 23.213 0.000 3.643) 23.497 14.195 ( -10.120 0.000 20.482) 22.846 14.444 ( -17.468 0.000 -28.051) 33.046 15.665 ( -0.617 0.000 1.254) 1.397 15.669 ( -0.460 0.000 1.229) 1.313 15.683 ( 0.615 0.000 0.132) 0.629 15.697 ( -0.021 0.000 -0.249) 0.250 15.730 ( 0.971 0.000 -0.798) 1.257 15.754 ( 1.328 0.000 0.242) 1.350 15.968 ( 3.369 0.000 2.144) 3.993 16.008 ( 3.582 0.000 2.835) 4.568 17.425 ( 5.317 0.000 5.035) 7.323 17.448 ( 2.940 0.000 -0.903) 3.076 17.566 ( -4.485 0.000 -4.890) 6.635 17.653 ( -6.415 0.000 2.674) 6.950 17.880 ( 2.309 0.000 -6.126) 6.547 17.898 ( 6.049 0.000 6.733) 9.051 18.169 ( -10.593 0.000 0.125) 10.594 18.197 ( -5.586 0.000 -0.859) 5.652 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -11.931 0.000 14.034) 18.420 1.116 ( -18.909 0.000 12.891) 22.885 1.382 ( 19.509 0.000 5.342) 20.227 1.577 ( 1.196 0.000 13.714) 13.766 1.583 ( 0.898 0.000 2.888) 3.024 1.662 ( -2.893 0.000 8.065) 8.568 1.854 ( -0.110 0.000 6.876) 6.877 2.049 ( 1.905 0.000 -10.850) 11.016 2.167 ( 4.212 0.000 -11.574) 12.316 2.225 ( -6.185 0.000 -10.521) 12.204 2.311 ( 3.100 0.000 -1.589) 3.483 2.313 ( 2.320 0.000 5.018) 5.529 2.403 ( -5.695 0.000 -2.631) 6.273 2.463 ( -9.889 0.000 -8.306) 12.915 2.582 ( 0.224 0.000 0.926) 0.952 2.640 ( 1.764 0.000 -4.384) 4.726 2.712 ( -0.282 0.000 -8.094) 8.099 2.785 ( 8.604 0.000 -2.155) 8.870 2.969 ( 2.521 0.000 3.986) 4.717 3.012 ( 2.076 0.000 3.728) 4.267 3.072 ( -0.206 0.000 -6.675) 6.678 3.282 ( -8.263 0.000 2.756) 8.710 3.294 ( 5.419 0.000 4.299) 6.918 3.322 ( -2.703 0.000 -2.696) 3.817 3.431 ( 7.865 0.000 0.071) 7.865 3.630 ( -3.985 0.000 3.684) 5.427 3.634 ( 3.108 0.000 5.703) 6.495 3.688 ( 5.507 0.000 0.422) 5.524 3.796 ( 2.132 0.000 -7.115) 7.428 3.800 ( -1.004 0.000 -3.139) 3.296 3.864 ( -4.587 0.000 3.151) 5.565 3.921 ( -0.495 0.000 -1.895) 1.959 4.109 ( 0.447 0.000 5.848) 5.865 4.195 ( -3.765 0.000 -5.278) 6.484 4.198 ( -2.552 0.000 0.870) 2.696 4.271 ( 0.903 0.000 3.705) 3.814 4.354 ( 4.357 0.000 0.631) 4.402 4.420 ( -4.619 0.000 0.389) 4.635 4.453 ( 1.482 0.000 4.375) 4.619 4.668 ( 2.797 0.000 -3.060) 4.146 4.717 ( 2.051 0.000 1.903) 2.797 4.773 ( -4.958 0.000 -0.416) 4.975 4.782 ( 1.042 0.000 4.438) 4.559 4.842 ( 2.199 0.000 1.929) 2.925 4.926 ( 0.607 0.000 0.355) 0.703 5.058 ( 1.953 0.000 1.574) 2.508 5.164 ( -0.334 0.000 5.351) 5.362 5.275 ( -1.220 0.000 -5.484) 5.618 5.353 ( 1.164 0.000 -6.125) 6.234 5.425 ( -7.878 0.000 -10.599) 13.206 5.508 ( -0.996 0.000 -7.046) 7.116 5.599 ( -5.270 0.000 -1.710) 5.540 6.098 ( -2.119 0.000 2.513) 3.287 6.185 ( 2.861 0.000 -0.242) 2.871 6.333 ( 0.563 0.000 9.036) 9.054 6.441 ( 5.809 0.000 1.097) 5.911 6.604 ( -5.301 0.000 7.193) 8.936 6.627 ( 0.734 0.000 -2.663) 2.762 6.760 ( 1.305 0.000 4.377) 4.567 6.777 ( -1.209 0.000 1.577) 1.987 6.934 ( -0.256 0.000 -8.825) 8.829 6.969 ( 3.994 0.000 -3.050) 5.026 7.102 ( -0.014 0.000 -0.144) 0.145 7.105 ( 0.756 0.000 -2.533) 2.644 7.140 ( -3.291 0.000 -2.040) 3.872 7.209 ( 1.700 0.000 -0.566) 1.791 7.319 ( 0.877 0.000 -0.707) 1.126 7.379 ( 3.355 0.000 5.955) 6.835 7.481 ( -5.720 0.000 3.746) 6.838 7.485 ( 1.585 0.000 -0.638) 1.709 7.610 ( 1.401 0.000 0.118) 1.406 7.660 ( -0.026 0.000 -4.581) 4.581 7.864 ( -1.568 0.000 4.679) 4.935 7.897 ( 1.785 0.000 2.917) 3.419 7.947 ( 3.291 0.000 -5.350) 6.281 8.074 ( -1.462 0.000 -0.850) 1.691 8.156 ( -7.019 0.000 -4.557) 8.368 8.295 ( -0.500 0.000 -2.135) 2.192 8.394 ( 7.185 0.000 3.749) 8.104 8.400 ( -5.479 0.000 1.973) 5.823 10.071 ( -0.076 0.000 0.062) 0.098 10.075 ( 0.095 0.000 -0.031) 0.100 12.058 ( 3.672 0.000 7.415) 8.274 12.375 ( 4.064 0.000 3.003) 5.054 13.396 ( 0.166 0.000 -0.694) 0.714 13.405 ( -0.899 0.000 -0.558) 1.058 13.415 ( 0.252 0.000 -0.047) 0.256 13.417 ( 0.287 0.000 0.001) 0.287 13.633 ( 4.163 0.000 -10.130) 10.952 13.908 ( -13.535 0.000 -21.351) 25.280 14.105 ( -17.307 0.000 13.050) 21.676 14.452 ( 30.309 0.000 4.610) 30.657 15.664 ( -0.494 0.000 0.833) 0.969 15.673 ( -0.188 0.000 0.762) 0.785 15.680 ( -0.679 0.000 -0.949) 1.167 15.689 ( -0.174 0.000 -0.738) 0.759 15.752 ( 1.344 0.000 1.253) 1.837 15.792 ( 1.232 0.000 3.138) 3.371 15.959 ( -3.490 0.000 -2.926) 4.555 16.022 ( -2.962 0.000 -1.082) 3.153 17.495 ( -10.200 0.000 0.271) 10.204 17.496 ( 1.287 0.000 -0.073) 1.289 17.531 ( 3.356 0.000 0.644) 3.417 17.541 ( 1.722 0.000 0.438) 1.777 17.922 ( -8.792 0.000 -1.643) 8.944 17.930 ( 8.012 0.000 -1.917) 8.238 18.102 ( 3.492 0.000 4.941) 6.051 18.160 ( 0.456 0.000 2.559) 2.600 ======================= Grid point 67 (25/80) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -23.430 0.000 15.252) 27.956 0.857 ( -21.279 0.000 16.174) 26.728 1.419 ( -32.090 0.000 -12.946) 34.603 1.594 ( -2.603 0.000 4.330) 5.053 1.681 ( -1.155 0.000 7.697) 7.783 1.853 ( -2.858 0.000 4.835) 5.616 1.855 ( 12.547 0.000 10.531) 16.380 1.958 ( 4.592 0.000 6.128) 7.658 2.082 ( 2.606 0.000 -8.942) 9.314 2.135 ( 1.401 0.000 -10.014) 10.112 2.206 ( -7.920 0.000 -4.863) 9.294 2.311 ( 0.612 0.000 -3.210) 3.268 2.377 ( 0.770 0.000 2.829) 2.932 2.445 ( 3.120 0.000 2.741) 4.153 2.584 ( 1.969 0.000 -3.787) 4.268 2.661 ( 2.212 0.000 -5.028) 5.493 2.706 ( 7.151 0.000 -3.285) 7.869 2.814 ( 3.020 0.000 -5.965) 6.686 3.015 ( 1.877 0.000 -2.994) 3.534 3.038 ( -1.426 0.000 0.789) 1.630 3.120 ( 4.203 0.000 3.407) 5.410 3.148 ( -8.141 0.000 2.930) 8.653 3.217 ( -1.873 0.000 -5.272) 5.595 3.454 ( 6.390 0.000 3.001) 7.060 3.612 ( 4.163 0.000 2.068) 4.648 3.634 ( 7.314 0.000 2.686) 7.792 3.721 ( 0.828 0.000 2.708) 2.831 3.739 ( 0.513 0.000 -4.112) 4.143 3.769 ( 1.145 0.000 -3.230) 3.427 3.861 ( 6.157 0.000 3.286) 6.979 3.864 ( -0.189 0.000 5.532) 5.535 3.884 ( 0.815 0.000 -5.286) 5.349 4.038 ( -3.446 0.000 -8.389) 9.069 4.134 ( -8.372 0.000 3.489) 9.070 4.168 ( 1.846 0.000 3.802) 4.226 4.311 ( -4.402 0.000 -2.171) 4.908 4.363 ( 6.151 0.000 3.136) 6.904 4.439 ( -1.537 0.000 5.786) 5.987 4.534 ( 2.320 0.000 7.641) 7.986 4.603 ( -5.803 0.000 -2.493) 6.316 4.727 ( 1.809 0.000 -0.730) 1.951 4.753 ( 2.494 0.000 0.460) 2.536 4.892 ( 4.878 0.000 4.690) 6.767 4.950 ( 0.719 0.000 -0.155) 0.735 5.019 ( 10.714 0.000 3.004) 11.127 5.088 ( -1.421 0.000 -3.242) 3.540 5.178 ( -5.820 0.000 -11.443) 12.838 5.206 ( -0.323 0.000 -2.467) 2.488 5.232 ( 0.002 0.000 5.326) 5.326 5.273 ( -2.011 0.000 -3.396) 3.947 5.397 ( -2.672 0.000 -8.063) 8.494 5.587 ( 5.629 0.000 -2.610) 6.205 6.060 ( -4.463 0.000 2.201) 4.976 6.214 ( -0.061 0.000 0.502) 0.506 6.296 ( -9.735 0.000 2.019) 9.942 6.558 ( 3.181 0.000 3.471) 4.708 6.578 ( -3.138 0.000 3.991) 5.077 6.685 ( 5.536 0.000 0.312) 5.544 6.730 ( -1.879 0.000 -5.531) 5.842 6.836 ( 1.896 0.000 4.186) 4.596 6.878 ( 0.568 0.000 -2.522) 2.586 7.007 ( 1.713 0.000 0.780) 1.882 7.054 ( -3.463 0.000 -0.391) 3.485 7.066 ( -3.474 0.000 -2.020) 4.019 7.088 ( -0.476 0.000 -1.685) 1.751 7.238 ( 2.615 0.000 -3.037) 4.008 7.300 ( -1.052 0.000 -1.672) 1.975 7.416 ( -3.925 0.000 3.193) 5.060 7.434 ( -1.766 0.000 0.221) 1.780 7.527 ( 1.469 0.000 4.576) 4.806 7.651 ( 2.480 0.000 -2.869) 3.793 7.654 ( 3.607 0.000 0.076) 3.608 7.885 ( -1.395 0.000 4.023) 4.257 7.921 ( -0.221 0.000 -3.835) 3.841 7.960 ( 3.046 0.000 -3.607) 4.721 8.030 ( -4.726 0.000 6.405) 7.960 8.067 ( 1.964 0.000 -1.225) 2.315 8.271 ( -0.852 0.000 -3.379) 3.485 8.300 ( -4.525 0.000 0.060) 4.526 8.576 ( 8.233 0.000 2.539) 8.616 10.068 ( -0.286 0.000 0.034) 0.288 10.075 ( -0.106 0.000 -0.011) 0.106 12.173 ( -0.972 0.000 9.072) 9.124 12.448 ( 1.659 0.000 -0.811) 1.847 13.347 ( -4.541 0.000 -3.283) 5.603 13.393 ( 0.099 0.000 -0.391) 0.404 13.417 ( -0.102 0.000 0.207) 0.231 13.419 ( 0.201 0.000 -0.274) 0.340 13.581 ( -4.071 0.000 -10.432) 11.198 13.592 ( 2.578 0.000 -8.359) 8.748 13.861 ( -18.349 0.000 5.786) 19.240 15.035 ( 30.435 0.000 -1.493) 30.471 15.646 ( -1.719 0.000 -1.146) 2.065 15.664 ( -0.333 0.000 0.624) 0.707 15.672 ( -0.947 0.000 -0.977) 1.361 15.677 ( 0.201 0.000 0.080) 0.216 15.813 ( 1.972 0.000 6.436) 6.731 15.854 ( -3.305 0.000 -3.085) 4.521 15.872 ( 2.117 0.000 8.802) 9.053 15.925 ( -4.449 0.000 -2.603) 5.154 17.202 ( -20.162 0.000 -2.323) 20.296 17.507 ( -1.221 0.000 1.798) 2.173 17.525 ( -2.925 0.000 -2.295) 3.718 17.606 ( 3.998 0.000 -0.100) 3.999 17.832 ( 0.825 0.000 -0.386) 0.910 18.115 ( 9.483 0.000 2.978) 9.940 18.177 ( 0.996 0.000 0.378) 1.065 18.230 ( 5.109 0.000 0.771) 5.167 ======================= Grid point 68 (26/80) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -30.834 0.000 -4.404) 31.147 0.645 ( -22.583 0.000 25.770) 34.265 0.714 ( -28.142 0.000 21.024) 35.128 1.543 ( -6.636 0.000 5.148) 8.399 1.760 ( 1.011 0.000 5.847) 5.934 1.840 ( -5.056 0.000 5.146) 7.214 1.896 ( -3.490 0.000 -0.587) 3.539 2.039 ( -2.774 0.000 1.266) 3.049 2.049 ( -1.210 0.000 -1.505) 1.931 2.094 ( 7.440 0.000 -13.244) 15.190 2.277 ( 10.612 0.000 4.408) 11.491 2.329 ( 1.263 0.000 1.024) 1.625 2.391 ( -1.426 0.000 0.770) 1.621 2.446 ( -0.759 0.000 -4.181) 4.249 2.532 ( -0.355 0.000 -12.165) 12.170 2.561 ( -7.635 0.000 -1.987) 7.889 2.806 ( 6.266 0.000 -2.257) 6.660 2.906 ( 7.462 0.000 -4.049) 8.490 3.020 ( -1.733 0.000 -2.008) 2.653 3.036 ( 3.548 0.000 -2.695) 4.455 3.053 ( -3.141 0.000 4.669) 5.627 3.193 ( 0.263 0.000 1.529) 1.552 3.198 ( 1.254 0.000 2.810) 3.077 3.577 ( 6.723 0.000 1.173) 6.825 3.653 ( -0.051 0.000 -4.757) 4.757 3.703 ( 0.244 0.000 -6.277) 6.282 3.708 ( 2.087 0.000 -7.682) 7.961 3.783 ( 0.244 0.000 2.550) 2.562 3.791 ( 3.747 0.000 1.187) 3.931 3.839 ( -0.950 0.000 -3.340) 3.473 3.896 ( -1.289 0.000 8.057) 8.160 3.947 ( -0.515 0.000 0.508) 0.724 4.009 ( -4.276 0.000 3.135) 5.302 4.036 ( 6.974 0.000 -0.908) 7.033 4.228 ( -2.710 0.000 -1.162) 2.948 4.269 ( 3.607 0.000 2.613) 4.454 4.437 ( -1.289 0.000 1.216) 1.772 4.468 ( 0.072 0.000 1.936) 1.938 4.496 ( -2.169 0.000 -1.573) 2.679 4.698 ( 3.307 0.000 12.452) 12.884 4.804 ( -1.105 0.000 -19.551) 19.582 4.810 ( 6.016 0.000 1.183) 6.131 4.903 ( -1.129 0.000 1.936) 2.241 4.924 ( -1.209 0.000 -5.577) 5.706 4.968 ( -1.481 0.000 -4.081) 4.342 5.020 ( 2.682 0.000 0.503) 2.729 5.092 ( -3.750 0.000 -1.796) 4.158 5.210 ( -1.285 0.000 3.283) 3.526 5.266 ( -1.057 0.000 -1.456) 1.799 5.268 ( 0.691 0.000 2.448) 2.543 5.553 ( 18.279 0.000 32.795) 37.545 5.718 ( 7.264 0.000 3.426) 8.032 5.985 ( -4.714 0.000 -0.166) 4.717 6.111 ( -10.178 0.000 2.089) 10.390 6.193 ( -2.062 0.000 -0.193) 2.071 6.535 ( -2.927 0.000 -6.739) 7.347 6.564 ( -1.185 0.000 2.310) 2.596 6.716 ( 3.780 0.000 -0.655) 3.837 6.781 ( 4.796 0.000 0.267) 4.803 6.878 ( 0.602 0.000 -0.821) 1.018 6.889 ( 0.963 0.000 0.613) 1.141 6.937 ( -4.128 0.000 -3.679) 5.530 7.037 ( -1.233 0.000 -1.851) 2.224 7.052 ( -1.139 0.000 3.984) 4.144 7.070 ( 0.335 0.000 3.584) 3.600 7.186 ( -3.125 0.000 -6.059) 6.817 7.283 ( -0.615 0.000 0.715) 0.943 7.380 ( -1.793 0.000 -2.944) 3.447 7.436 ( 3.417 0.000 1.333) 3.668 7.555 ( -2.634 0.000 2.120) 3.381 7.666 ( 0.504 0.000 -6.072) 6.093 7.721 ( 2.428 0.000 0.094) 2.430 7.761 ( -5.747 0.000 -7.895) 9.765 7.920 ( -2.525 0.000 5.622) 6.163 7.975 ( 1.479 0.000 -2.104) 2.572 8.107 ( 3.908 0.000 -3.681) 5.368 8.190 ( 9.785 0.000 20.971) 23.142 8.209 ( -1.165 0.000 1.969) 2.288 8.282 ( 0.152 0.000 0.696) 0.713 8.703 ( 4.299 0.000 -0.621) 4.343 10.063 ( -0.228 0.000 0.057) 0.235 10.072 ( -0.172 0.000 -0.081) 0.190 12.156 ( -6.340 0.000 0.728) 6.382 12.251 ( -16.215 0.000 -33.185) 36.935 13.245 ( -2.424 0.000 0.323) 2.446 13.393 ( 0.064 0.000 0.044) 0.077 13.415 ( -0.241 0.000 0.033) 0.243 13.421 ( 0.330 0.000 -0.194) 0.383 13.528 ( 0.948 0.000 0.021) 0.948 13.612 ( -8.196 0.000 0.412) 8.206 13.633 ( 1.263 0.000 5.739) 5.876 15.413 ( 18.833 0.000 -14.877) 24.000 15.613 ( -0.974 0.000 0.172) 0.989 15.643 ( -1.191 0.000 -0.170) 1.203 15.664 ( -0.216 0.000 0.491) 0.536 15.681 ( 0.593 0.000 -0.835) 1.024 15.800 ( -0.402 0.000 -1.646) 1.695 15.845 ( -1.913 0.000 -1.584) 2.483 15.958 ( 3.972 0.000 6.749) 7.831 16.048 ( 5.122 0.000 7.164) 8.806 16.820 ( -18.751 0.000 8.935) 20.771 17.451 ( -2.415 0.000 -1.961) 3.111 17.486 ( -1.657 0.000 -0.379) 1.700 17.672 ( 2.552 0.000 1.363) 2.893 17.871 ( 2.629 0.000 -0.891) 2.776 18.146 ( -1.862 0.000 -0.014) 1.862 18.204 ( 0.151 0.000 -1.632) 1.639 18.373 ( 7.866 0.000 0.024) 7.866 ======================= Grid point 69 (27/80) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 5.169 15.222 10.969) 19.461 0.725 ( 19.863 12.302 27.173) 35.837 1.202 ( -10.642 28.310 29.222) 42.055 1.515 ( -2.758 1.980 -1.422) 3.681 1.777 ( -3.490 3.356 -1.787) 5.161 1.853 ( -2.692 0.193 -1.352) 3.018 1.909 ( 5.048 1.993 -0.378) 5.440 1.964 ( 0.625 2.644 -1.029) 2.906 2.113 ( 0.201 4.086 -0.038) 4.091 2.222 ( 3.237 7.484 -7.646) 11.178 2.270 ( -7.439 1.480 0.844) 7.632 2.362 ( -0.882 3.921 -6.700) 7.813 2.435 ( 3.017 4.288 1.505) 5.455 2.443 ( -1.235 4.464 -1.786) 4.964 2.525 ( 4.296 3.120 -0.378) 5.323 2.553 ( -2.456 4.889 -2.834) 6.162 2.839 ( 5.090 -0.914 -3.421) 6.201 2.931 ( 0.144 -2.526 1.087) 2.754 2.966 ( -1.888 -0.723 -1.493) 2.513 3.024 ( 0.270 -3.309 3.384) 4.740 3.077 ( 1.550 -1.859 -2.160) 3.244 3.223 ( 1.392 1.484 1.857) 2.755 3.270 ( -1.142 3.703 2.848) 4.809 3.513 ( -1.003 -7.133 -5.278) 8.930 3.567 ( -0.933 -3.939 -3.533) 5.372 3.639 ( -0.735 -0.633 -6.349) 6.423 3.677 ( 0.278 -0.123 -2.754) 2.770 3.727 ( 1.970 0.819 -1.956) 2.895 3.811 ( -1.636 -1.048 1.448) 2.423 3.874 ( 1.741 -3.748 2.239) 4.700 3.939 ( -1.619 -2.043 -1.584) 3.051 4.003 ( 2.221 2.416 3.237) 4.610 4.102 ( -3.093 4.943 -8.131) 10.005 4.134 ( -0.326 0.751 3.863) 3.949 4.196 ( -0.104 0.383 -1.381) 1.437 4.299 ( -1.874 2.534 -2.953) 4.319 4.348 ( -2.737 -3.150 -2.403) 4.815 4.434 ( -3.061 -1.084 -1.866) 3.746 4.501 ( 0.432 1.903 1.047) 2.215 4.561 ( 2.347 1.734 -1.225) 3.164 4.728 ( -1.715 -2.122 -3.555) 4.482 4.853 ( -5.295 1.841 -4.750) 7.348 4.892 ( 2.062 2.442 1.298) 3.450 4.940 ( 3.392 -4.910 4.664) 7.574 4.983 ( 4.892 -1.586 2.274) 5.623 5.054 ( -1.188 -2.337 0.347) 2.644 5.117 ( -2.655 -2.019 -0.409) 3.361 5.224 ( 0.055 1.466 -0.980) 1.764 5.293 ( 5.186 2.237 6.954) 8.959 5.384 ( 1.779 2.406 1.560) 3.374 5.667 ( -2.427 -12.656 9.721) 16.142 5.890 ( 1.996 -21.335 20.362) 29.560 6.021 ( 2.290 6.305 -0.518) 6.728 6.068 ( -4.343 2.965 2.369) 5.767 6.368 ( 8.526 -3.623 -4.278) 10.204 6.431 ( 2.938 -3.997 -7.251) 8.786 6.594 ( -7.243 -5.558 3.011) 9.614 6.631 ( 5.111 -0.412 3.365) 6.133 6.736 ( 1.933 -3.164 0.245) 3.716 6.809 ( -1.653 -1.425 -1.667) 2.747 6.824 ( -1.220 -1.624 -2.030) 2.872 6.881 ( -0.995 1.340 -1.233) 2.075 6.949 ( -2.118 -3.418 0.507) 4.053 7.032 ( 0.910 -4.844 1.247) 5.084 7.111 ( 2.814 -1.237 0.697) 3.152 7.167 ( 1.857 2.223 1.421) 3.226 7.237 ( -3.739 -2.225 -2.718) 5.130 7.311 ( -1.997 4.040 -1.294) 4.689 7.445 ( 1.504 -0.058 -4.290) 4.546 7.535 ( 0.492 0.692 -2.948) 3.068 7.580 ( -1.344 6.654 -2.543) 7.249 7.718 ( 1.650 -0.435 -2.253) 2.827 7.774 ( 0.197 2.945 2.989) 4.201 7.936 ( -6.093 -0.229 6.389) 8.832 7.994 ( 1.131 0.919 0.651) 1.596 8.146 ( -0.690 2.233 -0.761) 2.458 8.205 ( -1.343 -2.891 7.219) 7.892 8.274 ( 0.147 0.792 4.032) 4.111 8.350 ( 2.003 1.927 4.554) 5.335 8.685 ( -0.997 -2.412 -3.987) 4.766 10.196 ( 0.037 11.729 1.239) 11.794 10.665 ( -2.015 25.004 -25.603) 35.844 11.605 ( 7.521 -2.392 2.787) 8.370 11.903 ( -3.645 -9.969 -5.458) 11.935 13.284 ( 0.586 3.172 1.879) 3.733 13.400 ( -1.020 0.253 -0.086) 1.055 13.441 ( -2.429 2.827 2.406) 4.436 13.490 ( -1.894 0.814 -1.637) 2.633 13.519 ( -1.629 5.670 -2.575) 6.437 13.622 ( 2.341 9.964 -1.287) 10.316 13.903 ( 6.220 7.515 18.639) 21.037 15.194 ( 0.091 -19.718 -16.016) 25.403 15.652 ( -0.293 0.669 0.546) 0.912 15.659 ( -0.044 0.628 1.159) 1.319 15.695 ( 1.346 2.409 -0.273) 2.773 15.714 ( 2.845 1.261 -1.605) 3.502 15.786 ( -1.520 0.350 0.805) 1.755 15.815 ( -1.969 0.076 -0.089) 1.972 15.892 ( -5.843 4.181 -5.003) 8.755 15.966 ( -8.904 2.583 -7.420) 11.875 17.044 ( 5.138 10.301 17.467) 20.919 17.437 ( -0.348 -1.098 -1.535) 1.919 17.462 ( 2.923 0.559 1.791) 3.473 17.693 ( -0.387 -2.267 2.296) 3.250 17.842 ( 0.419 -4.143 -1.474) 4.417 18.051 ( -3.220 -7.625 -7.990) 11.504 18.168 ( 8.129 -7.450 6.969) 13.045 18.335 ( -1.610 -10.193 -0.798) 10.351 ======================= Grid point 70 (28/80) ======================= q-point: ( 0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 10.161 12.143 10.891) 19.217 1.195 ( 0.066 19.962 24.929) 31.937 1.447 ( 1.051 2.035 -1.392) 2.680 1.532 ( 12.551 8.423 14.701) 21.085 1.612 ( -7.404 5.153 -8.627) 12.482 1.840 ( -5.724 -3.141 -1.358) 6.669 1.843 ( -4.953 2.466 -0.928) 5.610 2.002 ( 8.317 -0.622 -9.640) 12.747 2.117 ( 4.559 3.636 2.323) 6.277 2.149 ( -2.420 8.826 2.672) 9.534 2.288 ( 3.122 6.802 1.169) 7.575 2.320 ( 1.714 2.518 -3.635) 4.742 2.414 ( 4.388 5.690 -5.372) 8.971 2.452 ( -3.048 -0.189 -3.206) 4.428 2.504 ( 1.071 3.486 2.613) 4.486 2.630 ( 1.865 -1.787 2.316) 3.469 2.840 ( -1.707 0.686 -7.786) 8.000 2.877 ( 2.368 4.957 -2.444) 6.013 2.960 ( -4.313 -7.131 3.588) 9.073 3.035 ( -1.181 -2.971 0.878) 3.316 3.098 ( -0.127 -5.765 -0.236) 5.771 3.234 ( -0.294 1.633 1.104) 1.993 3.271 ( -0.394 4.796 3.781) 6.120 3.486 ( 1.301 -1.738 -5.760) 6.155 3.510 ( -2.785 2.471 -0.600) 3.771 3.556 ( -2.080 -0.827 -3.669) 4.298 3.585 ( -3.536 0.510 -6.641) 7.541 3.751 ( 2.510 -0.623 -6.120) 6.644 3.796 ( -1.247 -3.132 1.749) 3.798 3.892 ( -1.884 -2.562 0.564) 3.229 3.938 ( -0.908 -1.766 6.741) 7.027 3.953 ( -2.305 0.604 -1.183) 2.660 4.086 ( 1.325 1.853 3.733) 4.374 4.138 ( -0.700 -3.094 -1.038) 3.337 4.195 ( -1.068 1.112 0.300) 1.571 4.244 ( 0.728 2.485 -1.482) 2.984 4.323 ( -0.883 -1.426 -0.420) 1.729 4.389 ( 0.187 1.301 0.104) 1.319 4.519 ( 1.737 1.091 -1.275) 2.416 4.613 ( 0.698 2.257 1.847) 2.998 4.667 ( -0.725 0.397 -2.255) 2.402 4.751 ( -0.922 1.146 -1.578) 2.157 4.905 ( -3.464 2.613 0.736) 4.401 4.969 ( -3.043 -3.377 -0.427) 4.566 4.996 ( -4.828 0.440 -0.488) 4.872 5.067 ( 0.385 -3.720 0.877) 3.841 5.119 ( 4.474 -2.237 3.820) 6.294 5.217 ( 1.072 0.832 -3.158) 3.437 5.368 ( -0.315 -0.370 0.362) 0.606 5.471 ( 4.701 -1.336 2.910) 5.688 5.675 ( -6.277 -11.316 8.961) 15.740 5.891 ( -15.482 -13.208 12.665) 23.970 6.025 ( 0.509 3.145 3.898) 5.035 6.099 ( 5.331 3.135 -1.872) 6.462 6.301 ( -3.181 3.452 -3.844) 6.068 6.385 ( -3.515 -3.213 -9.231) 10.387 6.545 ( -2.173 -4.580 4.298) 6.647 6.709 ( -0.624 -3.461 -0.488) 3.551 6.745 ( -0.319 -4.109 -0.486) 4.150 6.780 ( -1.994 1.412 0.026) 2.444 6.824 ( 3.900 -1.859 -5.323) 6.855 6.956 ( 5.138 -4.387 0.660) 6.788 6.988 ( 7.233 -0.455 -1.112) 7.332 7.071 ( -0.445 -3.020 2.835) 4.166 7.119 ( -0.545 -3.148 -0.263) 3.206 7.144 ( -0.745 -0.369 -1.346) 1.582 7.246 ( 2.350 0.483 -1.257) 2.708 7.327 ( 6.061 1.177 1.645) 6.389 7.432 ( -2.003 3.230 -5.824) 6.955 7.513 ( 5.801 4.392 -1.329) 7.397 7.604 ( 0.998 1.658 -0.116) 1.939 7.707 ( 2.608 0.387 -4.526) 5.238 7.826 ( -0.126 2.324 5.130) 5.633 7.878 ( -6.732 1.291 5.670) 8.896 7.992 ( 0.363 0.236 -3.535) 3.561 8.136 ( -1.009 -0.208 3.428) 3.580 8.205 ( -4.252 -0.564 5.247) 6.777 8.324 ( 1.275 -0.064 1.967) 2.345 8.428 ( 0.886 3.668 4.647) 5.986 8.577 ( -5.380 -1.066 -5.451) 7.733 10.203 ( -0.877 12.135 1.709) 12.287 10.342 ( -8.210 21.230 -6.745) 23.740 11.815 ( 2.013 -8.625 -5.930) 10.659 11.958 ( 19.640 -8.093 -5.010) 21.825 13.327 ( 1.158 0.022 1.238) 1.696 13.386 ( -0.818 -0.246 0.724) 1.119 13.429 ( -0.425 1.573 2.064) 2.630 13.473 ( -0.104 1.863 -0.503) 1.933 13.527 ( 7.169 0.992 -0.507) 7.255 13.713 ( 8.028 13.512 -1.360) 15.776 14.175 ( 1.129 9.642 21.232) 23.346 14.860 ( -14.060 -16.338 -24.623) 32.725 15.645 ( -0.574 -0.003 -0.229) 0.618 15.671 ( -0.428 0.794 1.594) 1.831 15.696 ( -1.764 1.454 1.214) 2.588 15.724 ( -2.773 1.530 -2.585) 4.088 15.758 ( 0.425 2.491 -0.160) 2.532 15.768 ( 1.106 1.895 1.121) 2.464 15.868 ( 2.583 0.930 1.024) 2.930 15.895 ( 5.031 0.743 1.367) 5.266 17.293 ( 5.791 4.861 9.351) 12.025 17.421 ( 0.810 -0.770 -1.736) 2.065 17.609 ( 5.428 1.944 9.507) 11.119 17.661 ( -5.200 -3.433 -0.715) 6.271 17.815 ( -0.376 -2.369 -1.663) 2.919 17.890 ( -2.462 -7.688 -10.665) 13.375 18.225 ( -7.608 -11.367 -2.484) 13.902 18.280 ( -1.715 -3.273 2.080) 4.240 ======================= Grid point 71 (29/80) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 4.479 9.689 6.320) 12.405 1.280 ( -0.029 3.666 -15.544) 15.971 1.395 ( -1.293 15.886 18.494) 24.415 1.495 ( 0.782 2.587 0.361) 2.727 1.662 ( -4.220 5.379 1.060) 6.918 1.698 ( -3.939 2.720 4.203) 6.370 1.864 ( -3.428 2.706 2.542) 5.053 2.086 ( 2.945 0.843 -7.215) 7.838 2.126 ( 6.543 0.247 -1.480) 6.712 2.229 ( 3.490 1.151 -4.118) 5.519 2.348 ( 2.434 3.456 -2.257) 4.792 2.371 ( -1.398 2.729 -1.710) 3.511 2.466 ( 7.499 3.818 10.684) 13.600 2.501 ( 0.911 1.010 -5.107) 5.285 2.524 ( 3.845 2.527 2.708) 5.339 2.630 ( 0.111 -3.564 2.410) 4.304 2.757 ( -1.953 0.623 -4.160) 4.638 2.871 ( -0.517 5.839 -3.932) 7.059 2.927 ( -1.773 -4.551 0.796) 4.948 2.967 ( -2.065 0.184 -1.775) 2.729 3.078 ( -0.208 -6.139 -1.147) 6.248 3.225 ( -4.420 -1.406 1.086) 4.764 3.319 ( 0.656 4.693 0.915) 4.826 3.417 ( 0.113 -0.399 -3.679) 3.703 3.439 ( -3.238 0.077 -0.891) 3.360 3.516 ( -0.226 -0.040 0.260) 0.347 3.542 ( 0.725 1.994 3.565) 4.148 3.741 ( 0.473 0.791 -3.336) 3.461 3.785 ( 1.282 -1.949 -3.179) 3.943 3.847 ( -2.565 -3.824 0.248) 4.611 3.955 ( 1.130 2.113 1.002) 2.597 3.987 ( -2.722 2.835 3.652) 5.365 4.060 ( -3.820 -0.662 3.244) 5.055 4.148 ( 2.500 -3.415 -3.233) 5.326 4.208 ( 1.652 1.477 3.817) 4.413 4.282 ( -0.487 0.963 -0.868) 1.385 4.294 ( 2.731 -0.333 -1.373) 3.075 4.423 ( 0.876 2.216 2.476) 3.436 4.499 ( -2.660 -0.296 -0.934) 2.834 4.627 ( 0.366 -0.440 0.431) 0.716 4.684 ( 2.244 2.674 1.854) 3.952 4.772 ( 1.204 0.836 -0.791) 1.665 4.839 ( -2.157 2.762 1.239) 3.717 4.889 ( -3.566 -1.854 -0.835) 4.105 4.897 ( -4.828 -1.235 1.110) 5.106 5.056 ( -3.562 -0.625 0.935) 3.735 5.174 ( 0.882 0.469 -0.219) 1.023 5.251 ( 4.037 -2.181 -1.000) 4.696 5.356 ( 1.250 -2.153 -4.451) 5.099 5.529 ( -0.142 -2.919 -0.750) 3.017 5.594 ( -8.557 -10.081 0.533) 13.234 5.714 ( -11.062 -2.785 5.606) 12.710 6.132 ( 2.739 2.910 3.215) 5.129 6.166 ( 1.444 -1.743 1.360) 2.640 6.177 ( 0.403 4.304 -3.716) 5.701 6.331 ( 3.094 -2.457 -3.937) 5.578 6.550 ( -2.888 -5.501 5.877) 8.552 6.664 ( -1.698 -2.671 -1.614) 3.553 6.710 ( -3.159 -1.542 1.017) 3.659 6.765 ( -0.216 -0.089 1.890) 1.905 6.854 ( 4.102 -4.300 -3.942) 7.131 6.998 ( 1.303 -5.476 -3.343) 6.547 7.053 ( -2.382 -2.238 -1.248) 3.498 7.077 ( 3.755 -2.251 -2.832) 5.214 7.124 ( 1.209 -5.418 3.052) 6.335 7.189 ( 2.944 3.147 1.562) 4.584 7.259 ( 1.800 4.518 -3.580) 6.039 7.386 ( 2.851 3.127 -0.579) 4.271 7.467 ( 5.743 0.787 -1.630) 6.021 7.570 ( -0.138 4.558 0.157) 4.563 7.621 ( 1.430 1.050 1.275) 2.184 7.701 ( -1.330 -1.413 -2.364) 3.059 7.823 ( -2.477 -0.399 3.657) 4.435 7.868 ( 0.250 2.337 2.702) 3.581 7.974 ( 1.453 2.337 -2.401) 3.651 8.136 ( -3.527 1.390 2.031) 4.301 8.219 ( 1.998 -0.864 5.124) 5.567 8.309 ( -3.741 -1.555 -3.281) 5.213 8.420 ( -3.826 4.204 -2.356) 6.153 8.471 ( -1.838 2.977 2.471) 4.283 10.196 ( -1.279 11.590 0.792) 11.687 10.225 ( -1.973 13.955 -1.291) 14.153 11.840 ( 4.071 -9.299 -0.237) 10.154 12.182 ( 9.725 -7.383 -2.013) 12.375 13.346 ( 1.235 -2.290 -0.517) 2.653 13.376 ( -1.033 -0.707 0.827) 1.500 13.431 ( -0.731 1.274 0.695) 1.625 13.472 ( 0.489 2.258 -0.392) 2.344 13.772 ( 12.081 9.436 -1.324) 15.387 13.871 ( 14.801 2.509 2.533) 15.224 14.298 ( -11.233 3.829 4.151) 12.573 14.333 ( -13.413 -3.749 -11.268) 17.914 15.638 ( 0.227 -1.549 -0.300) 1.594 15.675 ( -0.395 0.533 0.510) 0.837 15.678 ( -0.985 -0.144 0.454) 1.094 15.695 ( -0.717 0.603 2.465) 2.637 15.761 ( 0.655 1.934 -1.256) 2.397 15.790 ( 0.798 2.147 -0.410) 2.327 15.970 ( 3.407 0.243 2.346) 4.144 16.010 ( 3.478 0.137 2.730) 4.424 17.427 ( 2.683 -1.699 1.053) 3.345 17.452 ( 4.254 0.970 1.550) 4.630 17.512 ( -4.082 -4.905 -5.780) 8.610 17.655 ( -5.537 -0.149 1.298) 5.689 17.818 ( 2.051 -6.291 -4.361) 7.925 17.922 ( 7.176 2.528 6.763) 10.179 18.074 ( -5.842 -11.857 -0.590) 13.231 18.180 ( -8.591 1.008 -1.393) 8.761 ======================= Grid point 72 (30/80) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -10.436 6.086 -1.673) 12.197 1.395 ( 12.831 5.934 6.307) 15.480 1.471 ( -9.807 18.720 13.940) 25.317 1.566 ( 8.949 0.537 0.875) 9.008 1.614 ( -1.547 1.490 3.374) 4.000 1.749 ( -1.358 5.176 9.024) 10.491 1.856 ( 0.883 2.982 6.680) 7.368 2.052 ( 0.769 0.214 -7.852) 7.892 2.209 ( 0.294 -1.918 -5.312) 5.656 2.235 ( 1.378 4.727 -7.968) 9.367 2.290 ( 1.158 -1.223 -0.142) 1.690 2.334 ( -6.845 -2.171 -10.464) 12.691 2.410 ( 1.622 6.066 2.969) 6.946 2.475 ( -4.403 1.857 -3.115) 5.705 2.575 ( -0.992 -1.359 -1.415) 2.198 2.672 ( -2.320 5.516 -1.486) 6.166 2.753 ( 3.400 0.933 -1.393) 3.791 2.838 ( 2.094 -3.449 -0.478) 4.063 2.882 ( -2.732 2.312 -3.585) 5.066 2.952 ( 2.292 -5.470 -0.065) 5.932 3.116 ( 2.365 2.691 -1.041) 3.731 3.173 ( -2.531 -5.544 6.481) 8.897 3.355 ( -4.822 2.887 -0.703) 5.664 3.390 ( 6.915 0.389 3.698) 7.852 3.411 ( 2.444 3.933 -2.484) 5.254 3.567 ( 0.679 -4.984 4.882) 7.010 3.619 ( 2.097 0.021 3.066) 3.715 3.714 ( 1.920 0.328 -2.255) 2.980 3.766 ( 0.708 -1.680 -5.096) 5.412 3.832 ( -0.002 -0.748 1.296) 1.496 3.908 ( -3.688 5.560 0.430) 6.686 3.959 ( 0.002 2.118 -3.061) 3.722 4.101 ( 0.911 -0.305 5.105) 5.194 4.138 ( -2.281 -2.474 0.289) 3.377 4.247 ( -4.418 1.119 -2.819) 5.359 4.255 ( 1.786 -0.235 0.323) 1.830 4.344 ( 4.648 -0.663 1.147) 4.833 4.422 ( -4.383 -0.405 2.349) 4.989 4.473 ( 0.624 2.180 0.975) 2.468 4.626 ( 0.355 -4.286 -1.473) 4.546 4.749 ( 2.952 3.432 1.490) 4.766 4.786 ( -0.694 0.389 3.222) 3.319 4.825 ( -2.462 -0.186 0.239) 2.480 4.837 ( -1.367 4.192 1.070) 4.537 4.898 ( 3.544 -1.494 3.464) 5.177 5.036 ( 1.351 -1.075 2.101) 2.720 5.206 ( 0.235 1.782 2.361) 2.967 5.248 ( -0.221 -2.849 -4.795) 5.582 5.315 ( -2.302 -2.974 -7.003) 7.949 5.420 ( -2.355 -4.324 -5.365) 7.282 5.497 ( -1.428 -1.024 -5.086) 5.381 5.589 ( -5.662 0.866 -2.198) 6.135 6.091 ( -3.084 0.108 -0.357) 3.107 6.183 ( 2.789 -0.943 -0.612) 3.007 6.323 ( 1.976 0.656 7.956) 8.224 6.379 ( 4.240 -5.613 0.819) 7.082 6.548 ( -3.287 -4.296 5.048) 7.399 6.630 ( -0.851 -1.714 0.224) 1.927 6.697 ( 0.502 -3.599 1.470) 3.920 6.793 ( 0.446 -0.145 2.981) 3.017 6.883 ( 2.655 -3.928 -3.882) 6.128 6.938 ( -0.009 -6.189 -6.597) 9.045 7.022 ( -2.989 -1.613 2.871) 4.447 7.095 ( 0.358 1.170 -3.992) 4.175 7.151 ( 2.644 -6.566 -0.272) 7.084 7.261 ( 2.088 1.866 -2.971) 4.082 7.272 ( 3.085 5.062 1.077) 6.025 7.456 ( -1.044 4.815 4.902) 6.950 7.477 ( 0.980 1.937 -3.319) 3.966 7.549 ( -2.772 0.767 2.025) 3.518 7.631 ( -0.580 1.216 -1.034) 1.698 7.660 ( 0.867 0.500 -3.269) 3.419 7.839 ( 0.698 -2.414 1.877) 3.136 7.899 ( -0.154 1.383 2.890) 3.208 7.984 ( 1.081 2.410 -2.383) 3.557 8.087 ( -2.340 1.350 1.992) 3.357 8.152 ( -7.338 -0.094 -3.317) 8.053 8.351 ( 4.472 0.358 3.022) 5.409 8.374 ( 1.531 4.884 -1.440) 5.317 8.444 ( -2.305 3.689 0.518) 4.380 10.185 ( -0.440 10.533 0.345) 10.547 10.209 ( 0.878 12.707 -0.288) 12.740 11.937 ( 2.738 -11.367 6.321) 13.291 12.292 ( 3.375 -8.577 0.495) 9.231 13.364 ( -1.208 -0.899 0.767) 1.690 13.372 ( 1.782 -1.395 0.524) 2.323 13.423 ( -0.509 0.685 0.130) 0.863 13.480 ( 0.215 2.820 0.432) 2.861 13.799 ( -2.821 8.202 -12.071) 14.864 13.841 ( -8.293 1.143 -15.201) 17.354 14.222 ( -11.942 11.052 8.973) 18.582 14.355 ( 23.739 -7.973 7.212) 26.060 15.642 ( 0.248 -0.942 0.068) 0.976 15.671 ( 0.203 -0.677 -0.083) 0.711 15.681 ( -0.759 0.613 1.901) 2.137 15.706 ( -0.373 1.193 1.270) 1.782 15.769 ( 1.209 1.000 0.409) 1.621 15.803 ( 0.609 0.769 1.124) 1.491 15.958 ( -3.699 -0.102 -3.163) 4.869 16.022 ( -2.872 -0.062 -1.220) 3.121 17.458 ( 1.043 -5.295 0.520) 5.422 17.501 ( 3.743 -1.379 1.026) 4.119 17.529 ( -7.828 1.366 -0.632) 7.971 17.541 ( 2.811 0.727 -0.316) 2.920 17.870 ( 6.988 -5.741 -1.113) 9.112 17.940 ( -9.339 1.903 -3.195) 10.052 18.038 ( 0.314 -11.672 3.899) 12.310 18.121 ( 4.040 1.474 2.856) 5.162 ======================= Grid point 73 (31/80) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -15.203 6.130 -2.293) 16.552 1.262 ( -22.564 17.831 7.133) 29.631 1.480 ( -22.515 10.142 -2.462) 24.816 1.612 ( 1.934 0.441 -0.194) 1.993 1.726 ( -3.255 4.373 5.510) 7.751 1.828 ( 6.070 -0.092 8.279) 10.266 1.963 ( 1.920 3.433 3.706) 5.404 1.976 ( 4.396 7.028 3.078) 8.843 2.064 ( -1.451 -1.634 -7.484) 7.796 2.141 ( 1.943 -0.132 -9.058) 9.265 2.289 ( 1.875 7.249 -1.158) 7.577 2.353 ( 1.206 2.832 -2.957) 4.268 2.378 ( -0.146 1.495 2.355) 2.793 2.501 ( 1.975 4.103 3.782) 5.919 2.581 ( 2.892 -2.109 -1.518) 3.888 2.638 ( -0.238 4.855 -4.149) 6.391 2.761 ( 5.315 -2.178 -3.159) 6.555 2.797 ( -1.704 1.583 -2.394) 3.338 2.894 ( 2.035 -9.029 0.533) 9.271 3.000 ( 3.284 -2.639 -1.079) 4.349 3.127 ( -1.891 2.325 2.747) 4.065 3.155 ( -2.805 -2.127 -2.982) 4.614 3.275 ( -1.943 6.151 0.252) 6.456 3.487 ( 4.008 2.035 2.563) 5.174 3.565 ( 5.437 -3.866 2.721) 7.205 3.640 ( 6.579 -0.996 -0.265) 6.659 3.675 ( 1.645 -2.660 2.901) 4.266 3.718 ( 0.211 -3.177 -3.049) 4.408 3.751 ( 0.800 -0.562 0.257) 1.011 3.869 ( 0.735 0.003 0.470) 0.873 3.893 ( 1.696 2.848 1.396) 3.597 3.923 ( 1.134 2.435 -4.114) 4.914 4.074 ( -2.823 1.850 -0.774) 3.463 4.131 ( -5.093 0.894 0.446) 5.190 4.175 ( 3.202 0.047 0.959) 3.343 4.310 ( -0.323 -1.303 2.067) 2.465 4.339 ( 0.297 0.280 -0.086) 0.417 4.462 ( 0.597 -0.073 6.725) 6.752 4.490 ( 0.535 -1.478 1.591) 2.236 4.608 ( -0.673 -1.003 -0.601) 1.349 4.731 ( -2.369 1.192 -1.397) 2.998 4.791 ( -0.240 -0.025 2.662) 2.673 4.821 ( 1.847 -2.712 -1.083) 3.456 4.922 ( 5.766 0.726 1.895) 6.113 5.049 ( -1.253 -2.940 -2.932) 4.337 5.066 ( 4.975 2.047 5.992) 8.053 5.145 ( -2.344 -3.760 -0.385) 4.447 5.195 ( -0.152 0.385 -8.051) 8.062 5.283 ( 1.489 1.563 3.841) 4.406 5.317 ( -4.307 3.452 -6.504) 8.530 5.416 ( -1.463 1.797 -6.458) 6.861 5.517 ( 1.259 -6.266 -0.960) 6.463 6.038 ( -3.292 -1.410 1.546) 3.901 6.203 ( -0.384 -0.703 -0.942) 1.236 6.333 ( -3.835 3.345 0.275) 5.096 6.500 ( 5.115 -5.465 4.271) 8.618 6.538 ( -3.261 -4.201 5.191) 7.431 6.651 ( 2.209 -3.832 0.545) 4.457 6.707 ( -0.057 -3.490 -3.149) 4.701 6.826 ( -0.060 -0.349 1.287) 1.335 6.870 ( 2.619 -2.315 -4.695) 5.853 6.937 ( 1.783 -4.061 0.845) 4.515 6.992 ( -1.240 -0.852 -0.091) 1.507 7.041 ( -3.394 0.758 -1.183) 3.674 7.181 ( 0.676 -5.115 -1.413) 5.350 7.253 ( -0.427 5.414 -6.038) 8.121 7.275 ( -1.983 2.097 2.659) 3.925 7.411 ( -5.818 -0.611 3.464) 6.799 7.498 ( 2.690 2.529 -2.055) 4.226 7.566 ( 1.508 1.385 1.402) 2.482 7.592 ( -0.779 -2.129 -0.844) 2.419 7.655 ( 0.017 0.598 -1.532) 1.645 7.878 ( 1.090 -0.993 2.301) 2.733 7.908 ( -0.068 -0.063 -1.354) 1.357 7.973 ( -0.386 -0.329 0.500) 0.712 8.034 ( -2.100 1.286 0.782) 2.584 8.104 ( -0.560 3.934 4.585) 6.067 8.327 ( -2.170 5.317 -3.256) 6.602 8.359 ( -2.416 6.133 -1.334) 6.726 8.554 ( 8.070 -2.089 2.088) 8.594 10.180 ( -0.165 10.024 -0.027) 10.025 10.268 ( 6.320 16.894 0.129) 18.038 12.028 ( -1.151 -13.309 7.722) 15.430 12.288 ( -3.434 -14.488 -4.234) 15.480 13.328 ( -3.219 -0.126 -1.207) 3.440 13.410 ( 0.005 0.063 -0.140) 0.153 13.429 ( -0.211 2.451 4.552) 5.174 13.477 ( 0.146 0.433 -0.113) 0.470 13.567 ( -1.484 0.348 -3.754) 4.052 13.720 ( -0.885 13.980 -11.630) 18.207 13.979 ( -17.008 12.251 1.296) 21.001 14.874 ( 24.257 -14.551 2.545) 28.401 15.649 ( 0.297 0.457 0.383) 0.666 15.673 ( -0.582 0.642 0.713) 1.122 15.681 ( -0.437 0.994 0.130) 1.094 15.701 ( 0.241 1.495 -1.571) 2.182 15.805 ( -0.761 -0.672 2.494) 2.693 15.864 ( 1.793 -0.692 6.761) 7.029 15.868 ( 0.392 0.990 0.050) 1.066 15.932 ( -3.445 0.562 -2.138) 4.093 17.287 ( -15.891 7.515 -3.542) 17.932 17.484 ( -0.902 -2.428 1.591) 3.039 17.524 ( -2.531 -0.069 -3.064) 3.975 17.588 ( 3.965 -1.857 0.596) 4.419 17.815 ( -0.460 -1.570 -1.012) 1.923 18.042 ( 8.218 -7.196 3.862) 11.586 18.127 ( 5.318 -9.901 2.271) 11.466 18.168 ( 0.352 -1.192 -2.707) 2.979 ======================= Grid point 74 (32/80) ======================= q-point: (-0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -9.517 11.535 4.242) 15.544 0.657 ( -27.888 12.189 -9.576) 31.906 1.223 ( -18.636 28.913 23.159) 41.468 1.583 ( -4.893 3.392 2.251) 6.365 1.798 ( 2.440 3.134 4.029) 5.658 1.842 ( -1.867 -1.076 -1.171) 2.452 1.939 ( -3.068 3.582 -1.350) 4.906 1.981 ( -0.862 1.269 -3.023) 3.390 2.077 ( 5.369 0.908 -3.228) 6.331 2.225 ( 3.508 6.973 -4.416) 8.968 2.283 ( -0.320 3.298 5.964) 6.823 2.370 ( 1.777 4.433 0.579) 4.811 2.416 ( 2.316 3.601 0.476) 4.308 2.494 ( -4.871 4.288 -3.103) 7.193 2.575 ( -0.757 4.763 -8.788) 10.025 2.599 ( -0.403 3.561 2.600) 4.428 2.775 ( 3.659 -3.057 -3.745) 6.062 2.896 ( 3.657 -3.322 1.741) 5.238 2.934 ( 4.399 -5.098 0.754) 6.776 3.037 ( -3.686 -0.081 -1.649) 4.039 3.063 ( 3.229 0.472 -0.665) 3.331 3.159 ( 2.539 -0.987 -0.109) 2.726 3.269 ( -0.700 4.233 1.709) 4.618 3.569 ( 3.911 -1.536 0.581) 4.241 3.581 ( -2.121 -4.871 -1.397) 5.493 3.659 ( -0.465 -3.471 -4.606) 5.786 3.722 ( -0.563 -1.173 -3.800) 4.016 3.735 ( 1.544 -3.133 -0.128) 3.495 3.803 ( 3.644 -0.856 1.662) 4.095 3.838 ( 0.227 -0.267 -2.242) 2.269 3.932 ( 1.587 1.129 1.773) 2.634 3.992 ( -2.217 0.485 1.581) 2.766 4.076 ( 4.786 4.437 0.448) 6.541 4.087 ( 5.743 6.174 -2.570) 8.816 4.215 ( -0.593 -0.776 -0.293) 1.019 4.316 ( 1.844 3.448 0.257) 3.919 4.383 ( 0.919 -4.664 1.471) 4.976 4.479 ( -1.208 -0.403 0.571) 1.396 4.504 ( -1.536 0.873 1.071) 2.066 4.672 ( -2.206 -3.257 -3.649) 5.366 4.686 ( 3.183 -6.205 -0.745) 7.014 4.805 ( 3.051 -2.808 4.125) 5.849 4.850 ( 2.897 0.829 1.943) 3.585 4.973 ( -3.078 -0.655 -4.054) 5.132 5.008 ( -2.831 -0.909 -2.811) 4.091 5.047 ( -1.319 3.451 -4.174) 5.575 5.078 ( 1.875 1.700 1.702) 3.050 5.212 ( -0.427 0.089 2.727) 2.762 5.245 ( -1.084 2.594 -1.996) 3.447 5.335 ( 1.738 1.681 0.513) 2.472 5.481 ( 7.899 -4.367 17.658) 19.831 5.589 ( 3.094 -10.890 6.113) 12.866 6.013 ( -0.683 2.478 0.957) 2.743 6.141 ( -5.711 2.576 1.171) 6.373 6.281 ( 1.718 4.565 -4.165) 6.414 6.504 ( -2.096 -4.723 -2.423) 5.707 6.584 ( -0.554 0.627 1.322) 1.564 6.659 ( -0.968 -3.745 -1.429) 4.124 6.695 ( 2.202 -3.896 -0.056) 4.476 6.827 ( 0.961 -3.338 -0.921) 3.593 6.870 ( 0.196 -4.395 -3.199) 5.439 6.941 ( -4.063 1.030 1.233) 4.370 6.989 ( 0.358 -4.306 -0.046) 4.321 7.010 ( 1.110 -2.966 2.845) 4.257 7.120 ( -4.502 -0.851 -5.778) 7.374 7.172 ( -2.690 4.361 1.374) 5.305 7.285 ( -0.716 0.378 0.812) 1.147 7.346 ( -2.522 -1.864 0.641) 3.201 7.477 ( 0.068 0.132 -3.986) 3.989 7.580 ( -1.113 1.405 -3.804) 4.206 7.629 ( -0.125 -1.309 -0.809) 1.544 7.649 ( 4.116 -1.783 2.391) 5.083 7.820 ( -4.025 3.289 -3.050) 6.027 7.941 ( 1.742 -0.494 1.676) 2.468 7.981 ( -4.461 0.417 8.321) 9.451 8.101 ( 6.054 1.781 -0.085) 6.311 8.145 ( -0.836 1.469 7.213) 7.408 8.258 ( -2.212 5.150 0.801) 5.661 8.319 ( -0.646 3.761 -1.013) 3.948 8.678 ( 4.398 -2.705 -0.821) 5.229 10.183 ( 0.362 10.646 0.371) 10.658 10.485 ( 21.428 24.361 -4.462) 32.749 11.993 ( -20.912 -17.071 -15.704) 31.230 12.015 ( -5.267 -12.823 1.581) 13.953 13.274 ( -0.925 2.485 0.342) 2.674 13.408 ( -0.081 0.135 0.298) 0.337 13.437 ( -0.986 2.362 2.804) 3.797 13.546 ( -0.141 1.848 4.008) 4.415 13.592 ( -2.101 9.420 -8.044) 12.564 13.622 ( 2.696 6.154 8.417) 10.770 13.722 ( -7.173 9.623 -1.283) 12.071 15.188 ( 12.472 -18.350 -7.153) 23.312 15.652 ( -0.444 0.706 0.176) 0.852 15.663 ( -0.932 0.889 0.573) 1.410 15.677 ( 1.398 2.256 -1.498) 3.048 15.696 ( 0.854 1.008 -1.338) 1.880 15.790 ( -0.548 -0.633 0.275) 0.881 15.851 ( -2.263 0.559 -0.743) 2.446 15.961 ( 3.485 0.132 4.400) 5.614 16.045 ( 4.702 -0.427 5.399) 7.173 16.974 ( -12.732 13.208 3.058) 18.599 17.453 ( -1.535 -0.155 -1.897) 2.445 17.470 ( -1.508 -1.405 -0.220) 2.072 17.654 ( 2.360 -1.824 1.428) 3.307 17.831 ( 1.626 -3.886 -1.117) 4.358 18.081 ( -3.274 -3.341 -3.126) 5.626 18.127 ( -0.250 -7.700 -0.370) 7.713 18.282 ( 6.998 -9.153 1.012) 11.566 ======================= Grid point 75 (33/80) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 8.913 22.648 2.502) 24.467 1.062 ( 19.178 23.637 5.782) 30.983 1.508 ( -0.613 -3.023 -12.178) 12.562 1.708 ( -9.292 22.029 16.945) 29.304 1.850 ( 2.269 4.965 0.305) 5.467 1.866 ( 0.277 2.925 -2.366) 3.773 2.005 ( 1.042 -0.246 0.247) 1.099 2.036 ( -2.553 8.879 -1.060) 9.299 2.178 ( 0.397 4.591 0.366) 4.622 2.292 ( -2.758 -1.219 6.056) 6.765 2.360 ( 1.273 6.587 -6.615) 9.421 2.457 ( -1.212 4.617 -6.108) 7.752 2.534 ( 0.577 5.264 0.459) 5.316 2.564 ( -3.301 5.185 -4.265) 7.481 2.629 ( -2.380 9.256 1.898) 9.743 2.646 ( 0.105 4.559 -2.148) 5.041 2.828 ( 1.466 -6.790 3.009) 7.570 2.832 ( 2.714 0.086 1.562) 3.132 2.934 ( -2.737 -2.962 6.499) 7.649 3.004 ( 1.864 0.545 -4.105) 4.542 3.059 ( -0.800 1.569 -2.176) 2.799 3.241 ( 2.437 -0.443 -1.771) 3.045 3.332 ( -0.041 2.592 4.067) 4.823 3.402 ( -1.999 -2.919 -1.028) 3.685 3.517 ( 0.661 -1.872 -0.321) 2.011 3.602 ( -2.414 -2.270 -0.756) 3.399 3.663 ( 0.885 -0.967 1.330) 1.868 3.715 ( 1.291 -1.381 -2.895) 3.458 3.756 ( -1.469 -5.615 1.738) 6.058 3.799 ( 1.448 -2.802 0.177) 3.159 3.925 ( -1.405 1.514 -4.045) 4.542 4.034 ( 0.326 -2.948 -3.235) 4.389 4.098 ( -2.725 -2.621 -1.812) 4.192 4.177 ( -1.613 3.617 0.701) 4.022 4.193 ( -0.192 -1.575 0.445) 1.648 4.264 ( -0.107 -2.293 -2.281) 3.236 4.352 ( -0.247 1.099 -4.168) 4.318 4.425 ( -2.053 0.793 -1.777) 2.828 4.540 ( -1.465 2.463 3.572) 4.580 4.598 ( 4.294 2.146 0.578) 4.835 4.678 ( 0.051 -2.523 0.484) 2.570 4.837 ( -0.397 -3.453 2.161) 4.092 4.868 ( -0.782 -1.126 1.596) 2.104 4.901 ( 1.415 -2.371 -0.741) 2.859 4.971 ( 1.950 2.255 -2.749) 4.055 5.025 ( -1.207 -1.764 -1.029) 2.372 5.130 ( -1.145 1.202 0.537) 1.744 5.184 ( 1.016 -7.603 2.905) 8.202 5.297 ( -0.221 -1.075 -1.452) 1.820 5.387 ( -0.151 -1.574 1.722) 2.338 5.488 ( 3.052 -7.516 9.073) 12.171 5.578 ( -0.105 -5.841 8.829) 10.587 6.138 ( 2.134 4.064 -0.344) 4.603 6.142 ( -4.224 3.039 1.533) 5.425 6.277 ( 5.143 -6.531 -6.012) 10.259 6.381 ( -0.960 -1.019 -5.060) 5.250 6.484 ( -2.546 -4.921 3.998) 6.832 6.627 ( 1.433 -2.258 0.100) 2.676 6.680 ( 0.429 -0.941 1.433) 1.767 6.766 ( 1.951 -2.696 -3.686) 4.966 6.797 ( 0.260 -1.348 0.073) 1.375 6.870 ( 1.865 -2.761 -0.868) 3.442 6.917 ( -3.606 -1.046 -0.601) 3.802 6.953 ( 1.419 -2.030 1.456) 2.873 7.084 ( -0.713 -1.038 -0.578) 1.386 7.201 ( 0.481 2.419 1.671) 2.979 7.249 ( -2.441 2.745 -0.311) 3.686 7.387 ( -0.007 3.369 -2.072) 3.955 7.423 ( 5.569 -3.605 -5.210) 8.436 7.541 ( -0.860 1.353 -2.315) 2.816 7.653 ( 2.366 1.423 -0.115) 2.763 7.718 ( -0.697 0.478 2.497) 2.636 7.858 ( 0.324 4.196 1.797) 4.576 7.922 ( -5.322 1.147 6.136) 8.203 8.021 ( 1.292 2.168 -1.136) 2.768 8.193 ( -6.533 3.121 6.740) 9.892 8.254 ( -2.933 3.209 -1.190) 4.508 8.335 ( 1.621 5.320 -0.463) 5.581 8.432 ( 5.415 5.808 2.099) 8.214 8.610 ( -0.112 -5.274 -3.638) 6.408 10.455 ( -0.204 13.901 2.639) 14.151 10.948 ( 0.607 8.686 -14.080) 16.555 11.542 ( 3.595 -4.173 1.345) 5.669 11.667 ( -2.772 -13.573 -1.862) 13.977 13.331 ( 1.536 1.720 0.502) 2.360 13.423 ( -2.386 1.617 0.693) 2.965 13.493 ( -4.061 0.830 -2.192) 4.689 13.513 ( -1.060 3.253 3.306) 4.758 13.597 ( -5.572 2.983 3.155) 7.065 13.904 ( 5.671 18.123 -3.757) 19.358 14.139 ( 10.600 15.983 10.717) 21.970 14.784 ( -5.178 -21.686 -6.221) 23.148 15.659 ( 0.255 0.315 0.793) 0.890 15.673 ( -0.767 0.653 1.767) 2.034 15.718 ( 0.833 0.182 1.026) 1.334 15.722 ( 1.577 0.088 -0.578) 1.682 15.805 ( 0.412 1.255 0.355) 1.367 15.824 ( -1.470 0.591 -0.528) 1.670 15.943 ( -4.156 1.405 -3.603) 5.677 15.997 ( -5.509 0.655 -5.354) 7.710 17.272 ( 3.966 11.599 6.420) 13.838 17.408 ( -0.613 -1.880 -0.434) 2.024 17.483 ( 5.217 2.259 1.703) 5.934 17.632 ( -0.888 -3.958 1.728) 4.410 17.745 ( 1.136 -5.533 -1.098) 5.754 17.853 ( -5.428 -12.183 -4.887) 14.205 18.072 ( 0.676 -10.927 0.676) 10.968 18.084 ( 3.528 -7.681 0.180) 8.455 ======================= Grid point 76 (34/80) ======================= q-point: ( 0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 14.080 22.959 -3.244) 27.127 1.355 ( 3.025 -4.810 -12.144) 13.408 1.579 ( 11.007 13.755 14.366) 22.732 1.695 ( -2.471 6.390 -4.979) 8.469 1.765 ( -7.554 3.838 -7.533) 11.338 1.872 ( -0.835 14.352 9.919) 17.466 1.918 ( -4.825 3.860 -4.050) 7.388 2.018 ( 1.409 1.717 0.596) 2.299 2.209 ( 2.139 4.476 3.308) 5.962 2.329 ( 4.248 5.236 -4.695) 8.216 2.355 ( 0.486 1.347 8.229) 8.353 2.399 ( -4.938 3.045 -5.169) 7.770 2.441 ( -2.170 4.037 -1.417) 4.797 2.531 ( -0.624 4.779 2.592) 5.472 2.602 ( 0.622 6.929 -2.394) 7.357 2.654 ( -2.608 3.195 1.557) 4.408 2.797 ( -6.099 -4.703 2.486) 8.093 2.884 ( 0.780 -1.375 2.881) 3.286 2.924 ( -3.986 -3.425 3.714) 6.435 2.977 ( 0.539 -2.766 -3.806) 4.736 3.052 ( 2.496 5.084 -2.846) 6.338 3.257 ( -0.743 1.057 -0.900) 1.575 3.341 ( 0.666 1.721 2.256) 2.914 3.427 ( 2.179 -0.715 -1.960) 3.017 3.527 ( -3.089 -2.252 -2.165) 4.394 3.572 ( 0.566 2.165 3.136) 3.853 3.634 ( -2.352 3.469 -6.302) 7.568 3.708 ( 3.220 -3.453 -0.389) 4.738 3.761 ( 0.223 -2.483 2.060) 3.234 3.830 ( -3.693 -0.816 -0.991) 3.910 3.883 ( 3.670 -2.129 3.468) 5.479 3.961 ( -1.009 -1.381 -3.632) 4.014 4.081 ( -0.621 -3.026 2.268) 3.833 4.111 ( -2.888 0.996 -2.394) 3.881 4.208 ( 0.124 0.208 1.403) 1.424 4.280 ( 2.339 -0.041 -1.739) 2.916 4.312 ( -1.354 1.656 -0.641) 2.232 4.403 ( 1.866 0.222 0.016) 1.879 4.541 ( -0.923 1.352 -1.036) 1.937 4.648 ( -0.545 1.497 -0.156) 1.601 4.692 ( -0.094 1.210 4.323) 4.490 4.773 ( -1.264 1.060 -1.532) 2.251 4.881 ( -0.392 -2.792 -1.410) 3.152 4.954 ( -3.389 1.409 -0.426) 3.695 4.984 ( 5.056 -5.214 -0.018) 7.263 5.007 ( -3.168 -1.710 -0.049) 3.601 5.093 ( 0.606 -0.452 2.050) 2.185 5.211 ( 0.262 -2.512 -0.944) 2.697 5.305 ( -2.221 -9.271 3.009) 9.997 5.364 ( -0.295 -1.772 -0.769) 1.954 5.555 ( -1.632 -2.917 1.877) 3.833 5.631 ( -4.125 -11.527 9.006) 15.199 6.109 ( -1.042 4.166 5.457) 6.944 6.147 ( 0.549 0.548 -3.520) 3.605 6.279 ( 0.961 -5.399 -5.254) 7.595 6.340 ( 1.079 0.825 -2.718) 3.039 6.474 ( -3.252 -3.771 2.727) 5.677 6.639 ( -1.363 -5.940 1.135) 6.199 6.679 ( -1.768 0.458 1.380) 2.289 6.770 ( -0.486 -1.929 -0.270) 2.008 6.819 ( 2.792 -0.164 -7.890) 8.371 6.877 ( 1.667 -1.801 -0.860) 2.600 6.941 ( 5.735 -3.754 -2.946) 7.461 7.022 ( 0.854 -4.384 2.297) 5.023 7.045 ( 2.553 -0.557 2.227) 3.433 7.199 ( -1.958 4.723 0.395) 5.128 7.291 ( 6.860 2.459 -1.784) 7.502 7.376 ( 0.308 3.920 0.513) 3.965 7.480 ( 0.159 2.532 -4.768) 5.401 7.508 ( 5.664 -4.585 -2.615) 7.742 7.678 ( -1.419 5.012 -1.409) 5.396 7.700 ( -0.144 -0.169 0.987) 1.011 7.894 ( -0.271 3.766 3.120) 4.898 7.904 ( -4.382 1.803 6.938) 8.402 8.015 ( 1.097 2.271 -2.297) 3.411 8.140 ( -4.095 0.400 5.452) 6.830 8.192 ( -5.252 -1.579 5.226) 7.576 8.365 ( 1.884 3.724 -3.205) 5.262 8.544 ( -1.795 -1.376 -3.653) 4.296 8.547 ( 4.010 7.281 1.040) 8.377 10.463 ( -2.125 13.559 3.299) 14.115 10.707 ( -9.185 15.863 -8.282) 20.114 11.610 ( 0.139 -11.932 -2.622) 12.217 11.772 ( 15.222 -10.514 -1.643) 18.573 13.341 ( -2.029 1.179 -0.370) 2.376 13.395 ( -0.358 1.032 1.855) 2.152 13.449 ( -0.407 0.273 2.689) 2.734 13.501 ( -3.760 2.537 2.135) 5.014 13.557 ( 2.031 0.972 0.744) 2.372 14.066 ( 12.370 21.780 -1.994) 25.127 14.438 ( 7.767 16.900 13.074) 22.735 14.503 ( -14.464 -19.233 -13.593) 27.638 15.648 ( -1.373 0.254 -0.738) 1.579 15.685 ( -0.441 0.426 1.808) 1.909 15.725 ( -1.854 1.496 0.456) 2.425 15.741 ( -2.379 0.715 -1.226) 2.770 15.786 ( 2.297 0.529 2.247) 3.257 15.811 ( -1.306 1.993 -0.825) 2.522 15.884 ( 0.249 0.437 -0.476) 0.692 15.915 ( 3.992 1.076 0.608) 4.179 17.370 ( 0.432 0.040 0.938) 1.033 17.400 ( 1.329 0.245 0.920) 1.634 17.567 ( -6.777 -5.710 -3.307) 9.459 17.660 ( 2.803 1.768 5.190) 6.158 17.685 ( -3.819 -13.092 -6.160) 14.964 17.776 ( 6.638 0.069 1.898) 6.904 17.952 ( -7.934 -15.241 -1.643) 17.260 18.219 ( 4.361 -2.947 -0.010) 5.263 ======================= Grid point 77 (35/80) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 6.975 0.889 -11.800) 13.736 1.342 ( 10.542 14.155 -9.118) 19.866 1.416 ( -0.757 1.039 -15.264) 15.318 1.678 ( 2.358 2.059 -5.929) 6.705 1.751 ( -5.740 9.445 5.638) 12.408 1.833 ( -5.199 11.400 12.148) 17.452 2.011 ( -0.532 7.351 3.360) 8.100 2.045 ( 1.676 -3.084 3.602) 5.029 2.191 ( -0.272 0.607 -1.792) 1.911 2.248 ( -6.885 6.093 -0.216) 9.197 2.377 ( -2.097 -1.521 -3.597) 4.432 2.454 ( 5.678 4.517 1.284) 7.368 2.500 ( -2.789 0.208 1.419) 3.136 2.560 ( 4.286 2.518 7.351) 8.874 2.586 ( -2.563 4.315 2.084) 5.434 2.629 ( 3.320 3.403 -0.713) 4.807 2.730 ( -2.708 -0.817 2.975) 4.105 2.865 ( -2.376 -3.981 1.852) 4.992 2.877 ( -3.682 -0.340 -3.223) 4.905 3.011 ( 3.425 -0.884 2.658) 4.424 3.087 ( 3.040 9.024 -0.807) 9.557 3.172 ( -6.916 -1.960 -2.118) 7.494 3.376 ( 1.922 -0.065 -1.547) 2.468 3.427 ( -3.501 1.069 -2.694) 4.545 3.448 ( 1.050 2.169 2.028) 3.150 3.527 ( -1.568 1.495 1.525) 2.650 3.636 ( -1.005 6.071 -0.780) 6.203 3.744 ( -1.562 -2.839 -1.162) 3.442 3.772 ( 0.487 0.296 -0.745) 0.938 3.787 ( 4.442 1.964 -2.644) 5.530 3.956 ( 2.074 -2.100 -1.629) 3.371 4.004 ( 2.023 -0.323 7.292) 7.575 4.050 ( -2.968 0.552 0.843) 3.135 4.091 ( 1.304 -3.054 -2.016) 3.885 4.220 ( -1.123 -2.238 2.420) 3.482 4.285 ( 1.986 0.367 -2.790) 3.444 4.314 ( 1.426 1.929 -0.679) 2.493 4.454 ( 0.348 1.162 1.916) 2.267 4.509 ( 0.308 0.927 -0.342) 1.035 4.592 ( -4.426 -1.461 -0.996) 4.766 4.737 ( 0.006 0.169 5.017) 5.019 4.775 ( 1.846 -0.338 -0.635) 1.981 4.860 ( -1.322 3.495 -2.590) 4.547 4.896 ( -4.322 0.096 -0.405) 4.342 4.920 ( 0.331 2.721 2.276) 3.563 5.056 ( 0.136 -1.546 1.837) 2.405 5.122 ( 0.456 -3.736 -2.223) 4.371 5.208 ( 1.186 -3.725 -0.517) 3.943 5.275 ( -2.759 -10.172 2.108) 10.748 5.336 ( -1.558 -5.072 -3.361) 6.281 5.517 ( -1.179 -2.552 -2.745) 3.929 5.630 ( -3.029 -5.579 5.842) 8.626 6.102 ( -0.576 -3.282 -2.227) 4.008 6.199 ( 2.412 2.387 4.645) 5.752 6.250 ( 0.614 -1.819 -3.499) 3.991 6.317 ( -0.113 4.341 -3.240) 5.419 6.455 ( -2.094 -3.909 5.067) 6.734 6.602 ( -2.177 -4.506 -0.260) 5.011 6.649 ( -3.893 -2.240 1.814) 4.844 6.760 ( -0.468 -1.095 1.913) 2.253 6.805 ( 3.379 -0.348 -5.255) 6.258 6.873 ( -0.253 -5.013 -3.859) 6.331 6.956 ( 1.548 -4.182 -1.742) 4.788 7.058 ( 0.388 -1.817 1.975) 2.711 7.122 ( 0.502 2.703 -0.101) 2.751 7.238 ( 5.565 1.978 -0.291) 5.913 7.364 ( 2.812 4.319 -0.884) 5.229 7.419 ( 6.260 -1.518 -5.899) 8.734 7.449 ( 2.345 -0.327 -3.652) 4.352 7.597 ( 4.066 -1.605 0.606) 4.414 7.642 ( -2.403 2.973 1.939) 4.286 7.688 ( -1.550 -0.714 -0.196) 1.718 7.838 ( -5.761 1.869 1.852) 6.333 7.929 ( 0.250 3.872 2.865) 4.824 8.042 ( 1.184 4.225 1.818) 4.750 8.126 ( -4.626 -2.609 4.608) 7.031 8.192 ( -0.609 -1.951 5.405) 5.778 8.307 ( -3.120 1.008 -3.216) 4.593 8.507 ( 1.420 5.217 -3.045) 6.206 8.597 ( 1.087 8.842 -0.666) 8.934 10.446 ( -2.601 13.150 2.252) 13.592 10.533 ( -3.775 16.670 -3.394) 17.426 11.618 ( 1.674 -12.964 0.670) 13.089 11.981 ( 9.728 -12.982 -2.786) 16.460 13.320 ( 0.577 -0.553 -0.594) 0.996 13.380 ( -2.301 0.670 2.243) 3.283 13.458 ( -2.212 1.371 1.125) 2.835 13.493 ( 0.533 0.561 2.458) 2.577 13.730 ( 11.622 -4.568 8.731) 15.237 14.060 ( -15.109 -12.901 -14.917) 24.845 14.236 ( 7.419 24.109 -5.988) 25.926 14.613 ( -0.200 19.156 7.484) 20.567 15.623 ( 0.013 -0.145 -0.757) 0.770 15.672 ( -1.044 0.010 -1.176) 1.573 15.701 ( -1.478 1.355 2.442) 3.160 15.712 ( -1.194 1.061 2.402) 2.885 15.788 ( -0.203 0.918 -1.224) 1.544 15.814 ( 0.197 0.352 -0.598) 0.722 15.977 ( 3.429 0.444 2.955) 4.549 16.014 ( 3.185 0.237 2.387) 3.987 17.274 ( -5.852 -13.538 -2.755) 15.004 17.459 ( 0.447 -0.877 -1.664) 1.933 17.471 ( 3.697 0.659 0.145) 3.758 17.610 ( -0.764 -14.946 -1.289) 15.021 17.640 ( -3.273 -3.259 -0.091) 4.620 17.818 ( -5.106 -11.089 0.559) 12.220 17.998 ( 8.968 4.590 4.510) 11.038 18.200 ( -3.931 0.882 -4.098) 5.747 ======================= Grid point 78 (36/80) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -3.515 17.029 -15.339) 23.187 1.428 ( 12.203 -5.894 -11.170) 17.562 1.519 ( 17.484 -0.770 1.918) 17.606 1.698 ( 3.373 8.569 -1.691) 9.363 1.801 ( 0.270 2.568 5.653) 6.215 1.853 ( -2.922 12.815 10.216) 16.647 1.945 ( -7.052 1.918 7.317) 10.341 2.066 ( -5.096 0.519 2.776) 5.827 2.147 ( 1.096 -0.091 -5.228) 5.343 2.225 ( 1.062 -1.548 -3.235) 3.740 2.318 ( -1.600 2.837 -0.715) 3.335 2.403 ( -5.093 5.173 -3.085) 7.888 2.483 ( -0.939 2.348 -0.461) 2.571 2.565 ( 0.250 5.231 3.156) 6.114 2.641 ( 0.438 5.888 1.420) 6.073 2.659 ( -0.958 -3.895 1.858) 4.420 2.736 ( -6.234 -0.293 -0.129) 6.242 2.823 ( 4.032 -1.337 -1.670) 4.564 2.841 ( -2.370 1.034 -2.372) 3.509 2.983 ( -3.192 3.192 -2.172) 5.010 3.092 ( 0.398 -1.980 5.620) 5.972 3.205 ( 4.272 6.385 1.546) 7.836 3.381 ( 2.229 1.318 -3.119) 4.054 3.418 ( 1.920 -0.806 3.650) 4.202 3.484 ( -1.066 3.222 1.902) 3.890 3.516 ( -1.203 1.684 1.705) 2.681 3.624 ( 2.707 -3.197 0.162) 4.192 3.695 ( -2.014 2.122 -3.459) 4.530 3.750 ( -0.472 0.866 -2.298) 2.500 3.855 ( 3.313 3.111 -0.418) 4.564 3.939 ( -0.168 -2.063 -2.999) 3.644 4.011 ( -2.953 2.875 0.490) 4.151 4.077 ( -0.723 -1.492 5.166) 5.426 4.113 ( 2.299 -1.209 -0.694) 2.689 4.203 ( -2.668 -4.791 1.160) 5.605 4.287 ( -0.288 2.456 -3.653) 4.411 4.360 ( 4.711 1.470 1.757) 5.239 4.429 ( -3.763 1.264 0.392) 3.989 4.501 ( -0.589 0.387 -2.249) 2.357 4.542 ( 0.423 -2.469 -0.136) 2.509 4.765 ( -2.598 -2.578 4.359) 5.692 4.805 ( -0.060 0.057 0.662) 0.667 4.847 ( 0.773 3.359 0.788) 3.536 4.875 ( 3.688 0.818 2.493) 4.526 4.956 ( -3.280 5.566 0.054) 6.461 5.030 ( 3.085 0.837 0.829) 3.302 5.138 ( -2.052 -8.863 -2.524) 9.441 5.202 ( 0.609 -2.227 2.640) 3.507 5.232 ( -0.197 -7.732 -2.931) 8.271 5.295 ( 0.081 -2.896 -3.124) 4.261 5.476 ( -0.979 -1.438 -2.108) 2.733 5.606 ( -3.609 -0.833 -0.709) 3.771 6.122 ( -2.735 0.911 -3.363) 4.430 6.141 ( 2.128 -1.577 1.912) 3.266 6.271 ( 1.268 -4.479 -1.978) 5.057 6.356 ( 2.292 0.781 3.254) 4.056 6.474 ( -2.395 -2.832 5.349) 6.509 6.585 ( -0.126 -7.567 -0.358) 7.576 6.594 ( -1.843 -0.449 0.262) 1.915 6.787 ( 0.332 -0.963 2.966) 3.136 6.817 ( 0.475 -3.692 -5.145) 6.350 6.836 ( 3.549 -0.896 -1.901) 4.124 6.987 ( 2.518 -3.079 -1.515) 4.256 7.047 ( -2.020 -2.660 2.164) 3.980 7.141 ( 1.912 2.641 -1.396) 3.547 7.306 ( 1.326 2.445 -4.581) 5.359 7.354 ( 2.911 3.281 -0.560) 4.422 7.439 ( 0.131 -6.139 -3.952) 7.302 7.544 ( -0.085 0.101 1.563) 1.568 7.564 ( 0.017 4.466 2.686) 5.211 7.645 ( -1.292 -0.792 -3.084) 3.436 7.673 ( -0.213 2.134 0.613) 2.230 7.793 ( 1.044 -2.340 0.039) 2.563 7.943 ( -2.078 2.988 3.534) 5.073 8.007 ( -4.275 -0.411 -2.294) 4.869 8.138 ( 0.390 3.838 4.228) 5.724 8.151 ( -5.526 0.097 2.470) 6.054 8.337 ( 4.448 -0.305 4.357) 6.234 8.506 ( 1.362 7.108 -3.670) 8.115 8.582 ( -0.809 9.502 -2.494) 9.857 10.422 ( -1.523 12.928 0.896) 13.048 10.500 ( 2.368 16.215 -1.152) 16.427 11.673 ( 1.182 -14.981 4.716) 15.750 12.059 ( 2.116 -15.019 -3.737) 15.621 13.337 ( 0.626 -0.985 0.403) 1.235 13.382 ( 0.643 0.715 2.838) 2.997 13.437 ( -0.995 0.653 0.221) 1.211 13.519 ( -2.180 1.887 5.132) 5.886 13.665 ( -9.945 -7.954 -10.054) 16.225 14.132 ( 17.257 -8.747 11.003) 22.257 14.236 ( 1.765 23.178 -10.363) 25.450 14.563 ( -8.802 20.594 -0.873) 22.413 15.635 ( 1.209 -0.033 0.250) 1.235 15.662 ( 0.366 -0.050 0.518) 0.637 15.702 ( -1.332 1.138 2.668) 3.192 15.726 ( -0.269 1.063 2.512) 2.741 15.778 ( 0.780 -0.043 -0.569) 0.966 15.811 ( 0.205 0.007 -0.534) 0.572 15.952 ( -4.430 -0.592 -4.019) 6.011 16.018 ( -2.738 -0.479 -1.983) 3.414 17.278 ( 4.620 -12.994 4.749) 14.586 17.473 ( 1.107 -2.573 0.980) 2.967 17.522 ( -0.089 -0.942 -0.558) 1.099 17.566 ( -0.771 0.165 -1.836) 1.998 17.690 ( 6.201 -15.344 4.450) 17.138 17.783 ( -1.100 -9.395 4.102) 10.310 18.003 ( -9.005 4.077 -6.957) 12.087 18.155 ( 4.473 1.726 -1.686) 5.082 ======================= Grid point 79 (37/80) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -2.335 20.436 -17.339) 26.903 1.485 ( -18.368 9.973 -11.044) 23.639 1.563 ( 10.944 -4.869 -9.500) 15.288 1.794 ( -1.092 3.843 3.685) 5.435 1.817 ( -4.626 9.531 11.428) 15.583 1.880 ( -4.441 10.540 8.221) 14.085 1.971 ( 1.104 -4.326 -5.026) 6.723 2.066 ( 3.715 3.928 0.719) 5.454 2.080 ( -0.867 3.199 -6.233) 7.059 2.213 ( 8.591 4.548 2.583) 10.058 2.327 ( 5.886 -1.912 2.042) 6.517 2.397 ( 1.021 4.422 -1.799) 4.882 2.458 ( -4.423 3.818 5.783) 8.221 2.585 ( 0.752 7.270 2.638) 7.771 2.633 ( 0.622 -5.798 -0.270) 5.837 2.670 ( -1.253 2.636 3.692) 4.707 2.730 ( 2.192 -2.043 -0.751) 3.089 2.763 ( -1.263 6.365 -1.953) 6.777 2.849 ( 0.701 -0.017 -0.230) 0.738 2.981 ( 5.003 3.335 -3.690) 7.054 3.118 ( -4.202 -1.810 4.167) 6.188 3.234 ( -0.270 7.007 -0.791) 7.056 3.362 ( -2.744 2.933 0.145) 4.019 3.482 ( 2.501 -1.729 -1.545) 3.410 3.513 ( 2.280 -2.946 0.838) 3.819 3.581 ( 3.721 -2.984 5.338) 7.159 3.647 ( 3.184 -0.501 -4.735) 5.728 3.694 ( -0.009 -3.198 4.200) 5.279 3.717 ( -1.088 1.757 -0.533) 2.135 3.875 ( 0.357 -0.555 -0.985) 1.186 3.915 ( -1.161 -1.501 -3.466) 3.952 3.957 ( -0.334 2.137 -0.374) 2.195 4.057 ( -3.154 -2.048 2.609) 4.577 4.152 ( -0.389 -0.332 0.752) 0.910 4.186 ( 2.568 1.091 1.567) 3.200 4.292 ( 2.334 0.551 -1.572) 2.868 4.364 ( -2.451 0.931 0.538) 2.677 4.442 ( 1.178 1.278 2.712) 3.221 4.506 ( 1.589 0.856 -1.148) 2.139 4.556 ( 3.307 -3.310 -1.921) 5.058 4.714 ( -5.902 -2.309 0.963) 6.411 4.796 ( -1.969 2.851 1.791) 3.901 4.856 ( -0.573 2.001 -0.081) 2.083 4.916 ( 2.336 -2.618 -0.881) 3.617 5.000 ( 1.635 -1.846 -0.383) 2.496 5.067 ( 3.736 -2.224 1.609) 4.636 5.108 ( -0.459 -0.323 -0.232) 0.608 5.202 ( -0.510 -0.061 -2.763) 2.810 5.253 ( -2.268 -6.706 4.175) 8.219 5.285 ( 2.956 -1.657 0.012) 3.389 5.431 ( -1.693 0.764 -2.051) 2.767 5.500 ( -2.880 2.496 -5.000) 6.287 6.040 ( -2.181 1.710 0.338) 2.791 6.188 ( 0.787 -1.164 -2.164) 2.581 6.327 ( 0.128 -5.566 0.877) 5.636 6.403 ( 3.623 -4.389 3.218) 6.538 6.474 ( -2.146 -1.309 4.296) 4.977 6.566 ( 1.824 -4.485 -1.953) 5.220 6.606 ( 0.717 -4.203 0.378) 4.280 6.789 ( 1.809 -3.819 -3.900) 5.751 6.822 ( 1.251 -0.856 -0.595) 1.628 6.901 ( 2.258 -0.756 2.317) 3.322 6.980 ( -0.598 -0.635 -2.396) 2.550 7.065 ( 2.461 -2.112 -1.614) 3.622 7.102 ( -6.546 -0.147 -0.345) 6.557 7.282 ( 1.084 1.685 -2.982) 3.593 7.352 ( -3.373 -2.091 -0.136) 3.971 7.402 ( -2.414 1.797 -1.847) 3.531 7.505 ( -1.188 2.118 0.375) 2.457 7.534 ( -2.180 -1.985 -0.282) 2.962 7.603 ( 0.145 0.703 -2.956) 3.042 7.705 ( -0.078 1.973 0.454) 2.026 7.860 ( 2.818 -1.616 2.076) 3.855 7.922 ( 1.154 1.858 -3.650) 4.255 7.961 ( -1.177 0.896 6.365) 6.535 8.084 ( -1.929 3.419 1.757) 4.301 8.196 ( -2.001 5.004 7.779) 9.463 8.444 ( 0.484 3.438 0.523) 3.511 8.487 ( 1.657 4.269 -3.863) 5.991 8.537 ( 0.695 5.187 -2.490) 5.796 10.412 ( -0.058 13.089 0.372) 13.095 10.597 ( 9.574 16.017 -0.811) 18.678 11.730 ( -1.073 -16.435 5.775) 17.454 11.974 ( -6.235 -16.832 -6.520) 19.097 13.335 ( -1.287 0.528 -0.224) 1.409 13.403 ( -0.544 -0.555 -0.731) 1.067 13.464 ( -1.904 -0.639 0.931) 2.213 13.476 ( 2.380 1.289 6.985) 7.491 13.585 ( -0.596 2.431 4.361) 5.028 14.086 ( -2.861 22.345 -13.219) 26.120 14.303 ( -13.613 20.166 -8.191) 25.672 14.556 ( 14.933 -17.004 9.682) 24.614 15.659 ( 0.572 0.390 0.931) 1.160 15.682 ( -0.422 0.209 1.441) 1.516 15.705 ( 0.245 1.381 0.458) 1.476 15.722 ( -0.260 0.781 -1.562) 1.766 15.787 ( -2.431 -1.242 -0.220) 2.739 15.848 ( 2.801 -0.994 4.641) 5.511 15.881 ( 2.589 0.283 1.058) 2.811 15.939 ( -1.890 -0.033 -2.103) 2.828 17.395 ( 0.770 -4.718 3.029) 5.659 17.428 ( -5.705 2.676 -1.441) 6.464 17.534 ( -0.767 0.277 -5.280) 5.342 17.540 ( 2.348 -1.975 0.522) 3.112 17.791 ( -4.479 -0.202 -3.951) 5.976 17.859 ( 1.154 -12.754 8.216) 15.215 17.878 ( 8.791 -12.300 4.326) 15.726 18.147 ( -0.355 -1.180 -7.706) 7.804 ======================= Grid point 80 (38/80) ======================= q-point: (-0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.443 21.990 -7.470) 23.228 1.009 ( -8.952 24.609 -15.396) 30.377 1.612 ( 1.007 -1.190 -6.837) 7.013 1.745 ( -12.640 23.764 16.604) 31.626 1.815 ( 2.018 0.671 -2.116) 3.000 1.886 ( -1.585 3.654 0.544) 4.020 1.943 ( 4.718 -3.924 -3.305) 6.969 2.052 ( 1.147 4.662 -0.786) 4.865 2.134 ( 2.024 5.941 1.080) 6.369 2.341 ( -1.254 2.945 1.731) 3.639 2.354 ( -0.208 3.718 -1.821) 4.146 2.461 ( 2.889 4.584 2.365) 5.912 2.546 ( 4.627 6.804 5.786) 10.059 2.578 ( -1.720 5.341 -2.142) 6.006 2.673 ( 0.288 2.384 -6.440) 6.873 2.692 ( -0.674 -3.679 -1.089) 3.895 2.709 ( 3.965 5.798 4.336) 8.254 2.776 ( 0.672 -3.449 2.314) 4.207 2.891 ( 2.778 0.069 2.936) 4.042 3.024 ( -0.338 -0.097 -4.473) 4.487 3.082 ( 0.877 1.546 0.324) 1.807 3.206 ( 0.108 4.889 -0.527) 4.918 3.331 ( -2.249 1.863 2.267) 3.697 3.464 ( -3.147 -4.303 1.076) 5.439 3.555 ( -0.386 -6.242 -3.995) 7.420 3.609 ( -0.628 3.014 1.522) 3.435 3.668 ( 0.257 -3.663 -0.527) 3.710 3.690 ( 0.069 -2.198 2.591) 3.398 3.737 ( 0.945 -4.707 -0.015) 4.801 3.833 ( -1.180 -1.184 -5.151) 5.415 3.929 ( 3.903 -0.763 -0.520) 4.011 4.010 ( 1.216 0.368 2.849) 3.120 4.083 ( 5.339 -5.813 0.388) 7.902 4.169 ( 0.641 2.797 0.542) 2.921 4.208 ( -1.279 2.076 0.617) 2.515 4.304 ( -0.800 -1.620 -1.234) 2.188 4.363 ( 2.156 -0.205 -0.527) 2.229 4.470 ( -0.481 1.746 0.319) 1.839 4.519 ( 1.680 -0.611 1.244) 2.178 4.573 ( -1.917 -1.142 -3.870) 4.468 4.651 ( 1.427 -2.097 0.614) 2.610 4.791 ( -0.575 1.357 2.912) 3.264 4.850 ( 0.852 -0.788 0.227) 1.183 4.947 ( -2.235 -1.205 1.733) 3.074 5.009 ( 0.710 -0.568 -1.573) 1.817 5.059 ( 0.283 -2.095 -4.813) 5.257 5.089 ( -2.864 -1.371 1.405) 3.472 5.192 ( -0.519 -3.173 -1.633) 3.606 5.261 ( 4.144 -2.073 3.692) 5.925 5.333 ( -0.010 -1.228 0.325) 1.270 5.420 ( 0.466 -1.598 2.045) 2.637 5.485 ( 1.704 2.315 4.555) 5.386 6.065 ( 3.259 2.237 2.367) 4.607 6.173 ( -0.429 -0.048 -1.041) 1.127 6.285 ( 0.075 -3.736 -4.758) 6.049 6.431 ( -1.074 -1.914 -1.029) 2.424 6.501 ( -1.728 -4.775 3.118) 5.959 6.613 ( 1.374 -4.190 -0.050) 4.410 6.650 ( 2.709 -1.610 2.432) 3.981 6.785 ( 1.292 -3.499 -3.494) 5.111 6.809 ( -1.226 0.607 -1.995) 2.419 6.920 ( -3.773 -2.077 -1.360) 4.517 6.929 ( -3.612 -2.641 0.401) 4.492 6.959 ( -0.401 -1.901 -0.356) 1.975 7.088 ( 1.355 -0.987 -3.057) 3.487 7.261 ( -7.928 1.567 2.926) 8.594 7.269 ( -0.367 -0.263 0.125) 0.468 7.372 ( 0.755 3.929 0.012) 4.001 7.448 ( 2.183 -3.762 -8.921) 9.925 7.564 ( -0.829 2.070 0.070) 2.231 7.606 ( 2.583 -1.308 0.512) 2.940 7.692 ( -0.240 1.921 1.554) 2.482 7.860 ( -0.332 -0.103 -1.071) 1.126 7.965 ( -5.347 4.171 6.100) 9.121 7.977 ( 2.118 0.890 2.776) 3.603 8.182 ( 8.312 5.526 2.071) 10.194 8.215 ( -3.797 4.404 7.586) 9.558 8.382 ( -3.443 6.474 -2.951) 7.904 8.422 ( -2.686 6.481 -3.144) 7.688 8.600 ( 3.963 -5.200 -1.442) 6.695 10.428 ( 0.849 13.633 1.156) 13.708 10.820 ( 16.860 12.139 -4.572) 21.272 11.721 ( -13.472 -11.667 -6.575) 18.996 11.729 ( -3.542 -15.826 2.398) 16.394 13.314 ( 0.444 1.530 -0.967) 1.864 13.425 ( 1.177 1.317 0.820) 1.947 13.467 ( -0.056 0.908 3.982) 4.085 13.587 ( -0.231 -1.091 0.595) 1.264 13.609 ( -3.419 4.599 10.763) 12.194 13.955 ( 0.260 18.006 -3.999) 18.447 14.006 ( -6.320 19.775 -9.606) 22.875 14.801 ( 5.378 -20.566 2.098) 21.361 15.661 ( -0.905 0.415 -0.116) 1.003 15.672 ( -0.966 0.391 1.517) 1.840 15.705 ( 1.020 0.364 -1.841) 2.136 15.711 ( 0.109 0.487 -0.009) 0.499 15.784 ( 0.760 0.004 0.775) 1.086 15.861 ( -1.892 0.251 -0.525) 1.980 15.962 ( 3.305 0.119 2.957) 4.436 16.031 ( 3.985 -0.927 3.583) 5.438 17.248 ( -5.949 13.887 -2.376) 15.294 17.421 ( -0.693 -2.923 0.542) 3.053 17.459 ( -0.311 0.370 -2.998) 3.037 17.603 ( 1.984 -3.461 1.542) 4.277 17.743 ( 0.204 -4.785 -1.948) 5.171 17.924 ( -1.317 -12.305 2.965) 12.725 18.041 ( -0.565 -1.994 -7.038) 7.337 18.049 ( 4.541 -13.743 3.473) 14.885 ======================= Grid point 81 (39/80) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 7.291 19.102 9.046) 22.358 1.433 ( -3.397 3.374 -10.926) 11.929 1.585 ( 14.561 21.610 -9.472) 27.725 1.860 ( 1.047 -3.677 4.409) 5.836 1.897 ( 5.651 0.689 -2.527) 6.228 1.959 ( -0.225 2.881 -3.174) 4.293 2.100 ( -5.838 8.108 7.480) 12.481 2.183 ( 0.088 -0.488 6.045) 6.065 2.263 ( -5.322 5.659 -0.245) 7.772 2.300 ( -1.129 6.483 3.123) 7.284 2.434 ( -4.401 -0.185 -2.906) 5.278 2.507 ( 0.017 -0.463 -4.825) 4.847 2.551 ( -0.604 -1.862 -0.071) 1.959 2.621 ( 2.202 -1.217 1.032) 2.719 2.665 ( 0.345 -1.269 1.410) 1.929 2.762 ( 1.147 4.898 -3.323) 6.029 2.833 ( -1.945 7.168 -0.191) 7.429 2.857 ( -1.742 3.592 2.706) 4.823 2.966 ( -1.556 0.243 -1.388) 2.099 2.995 ( -2.790 6.872 2.247) 7.750 3.156 ( 2.297 5.592 1.424) 6.210 3.218 ( -1.392 -1.086 -2.895) 3.391 3.358 ( -0.770 -3.292 3.404) 4.798 3.366 ( 2.265 -0.164 2.942) 3.717 3.483 ( 1.160 -0.706 -0.269) 1.384 3.546 ( -3.728 -2.969 0.985) 4.866 3.625 ( -1.096 -6.609 4.478) 8.058 3.665 ( 2.830 -1.760 -0.922) 3.458 3.701 ( 0.662 1.315 0.842) 1.696 3.771 ( -0.533 -0.575 -1.777) 1.943 3.882 ( 0.546 -7.804 -3.206) 8.455 3.991 ( 0.390 3.531 -2.888) 4.579 4.050 ( -3.293 -2.694 -0.390) 4.273 4.143 ( 2.975 -0.621 1.462) 3.372 4.242 ( -0.143 -1.448 -1.700) 2.238 4.289 ( -3.057 5.716 -3.034) 7.157 4.353 ( 2.110 -0.675 -2.650) 3.455 4.454 ( -2.363 1.989 -4.058) 5.100 4.575 ( -1.923 -0.279 3.634) 4.121 4.618 ( 3.889 -0.590 2.596) 4.713 4.657 ( 2.006 -0.394 2.374) 3.133 4.787 ( -0.164 -2.034 0.116) 2.044 4.836 ( 1.649 -1.086 -0.554) 2.051 4.867 ( -2.841 -0.930 -0.859) 3.110 4.975 ( -1.269 -0.004 -2.071) 2.429 5.009 ( -1.469 -2.785 -0.495) 3.187 5.069 ( 2.310 0.423 1.166) 2.622 5.127 ( 0.891 -1.497 1.721) 2.449 5.293 ( -0.785 -0.871 -2.630) 2.880 5.320 ( 0.602 -2.087 3.320) 3.967 5.381 ( 0.328 -3.723 -1.388) 3.987 5.542 ( -0.311 -2.588 0.661) 2.689 6.110 ( 0.381 -4.104 -0.730) 4.185 6.142 ( 4.433 -5.358 -0.939) 7.017 6.228 ( -3.709 2.912 1.444) 4.932 6.368 ( -3.223 -1.171 0.353) 3.448 6.436 ( -0.636 0.005 -0.025) 0.636 6.555 ( -0.909 -4.081 0.754) 4.249 6.692 ( 2.315 1.128 0.208) 2.583 6.730 ( 3.442 -0.275 -4.483) 5.658 6.768 ( 1.365 -1.218 -1.565) 2.408 6.823 ( 0.235 -2.425 2.093) 3.212 6.866 ( -0.397 -2.429 1.070) 2.684 6.951 ( 0.253 0.299 -0.410) 0.567 7.075 ( -2.049 -0.011 0.515) 2.112 7.269 ( 3.146 1.003 -3.330) 4.689 7.295 ( 3.255 -4.971 -0.503) 5.963 7.302 ( 0.270 2.241 -0.163) 2.263 7.452 ( 0.845 3.181 0.023) 3.291 7.587 ( -3.167 1.486 -1.772) 3.921 7.661 ( 3.390 0.084 3.268) 4.710 7.718 ( -0.665 -0.684 3.880) 3.995 7.921 ( 1.320 4.603 2.648) 5.472 7.990 ( -5.731 4.265 5.560) 9.052 8.111 ( 0.336 6.430 -2.246) 6.819 8.236 ( -8.129 1.173 6.308) 10.356 8.310 ( -7.434 2.649 -5.266) 9.488 8.431 ( 2.304 2.193 -3.193) 4.507 8.498 ( 3.391 -4.431 -2.297) 6.034 8.533 ( 7.046 3.961 0.905) 8.133 10.707 ( -0.705 12.201 2.737) 12.524 11.082 ( 2.067 6.147 -7.960) 10.267 11.403 ( -1.937 -13.390 0.459) 13.537 11.446 ( 2.334 -5.761 -0.659) 6.251 13.366 ( 2.020 2.070 -0.120) 2.895 13.446 ( -1.721 0.585 1.261) 2.212 13.503 ( -2.572 0.509 -2.228) 3.441 13.549 ( -0.445 0.154 -0.910) 1.024 13.686 ( -10.911 6.532 10.897) 16.747 14.262 ( 8.991 14.769 -6.149) 18.351 14.398 ( -6.980 -13.466 2.482) 15.369 14.458 ( 13.162 13.885 0.608) 19.141 15.669 ( -0.298 0.926 0.821) 1.273 15.678 ( -0.575 0.028 1.673) 1.770 15.707 ( 0.071 -0.899 1.352) 1.625 15.738 ( 1.732 1.464 0.008) 2.268 15.818 ( -0.685 -0.500 -0.065) 0.851 15.829 ( 1.654 -0.038 -0.465) 1.719 15.960 ( -3.591 0.668 -2.638) 4.505 15.997 ( -4.105 -0.441 -3.564) 5.454 17.362 ( -2.304 -2.626 1.464) 3.788 17.420 ( 0.089 3.472 0.338) 3.490 17.515 ( -1.380 -6.698 1.106) 6.927 17.610 ( 6.360 6.284 -0.129) 8.942 17.631 ( -1.812 -5.309 -0.963) 5.692 17.645 ( -2.187 -6.173 -0.464) 6.565 17.786 ( -5.087 -13.174 2.575) 14.355 18.019 ( 8.381 -3.686 -3.519) 9.809 ======================= Grid point 82 (40/80) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -3.173 -2.671 -12.293) 12.974 1.574 ( 11.528 19.461 -0.191) 22.620 1.779 ( -8.357 3.539 -6.740) 11.304 1.804 ( -0.020 4.575 -1.925) 4.963 1.915 ( 7.757 13.874 2.310) 16.062 1.938 ( -4.951 -1.774 -0.340) 5.271 2.033 ( -3.289 -1.656 1.015) 3.820 2.133 ( -2.993 8.075 -1.895) 8.818 2.236 ( -7.617 -0.374 1.763) 7.827 2.307 ( 0.661 -3.711 5.199) 6.422 2.390 ( 3.245 0.795 3.356) 4.736 2.471 ( -0.352 2.303 0.242) 2.342 2.514 ( -5.385 -1.508 1.344) 5.751 2.584 ( -5.423 4.361 0.514) 6.978 2.648 ( 0.470 -0.692 -1.536) 1.749 2.744 ( -5.723 5.479 1.824) 8.130 2.804 ( 2.166 7.397 1.582) 7.868 2.876 ( -2.362 2.133 4.079) 5.174 2.915 ( 1.196 -1.333 -4.645) 4.978 2.998 ( -0.522 8.567 2.532) 8.948 3.142 ( 2.029 1.400 -1.719) 3.005 3.261 ( 2.064 -0.698 -4.304) 4.824 3.368 ( -0.805 1.058 0.563) 1.443 3.422 ( 0.802 -1.913 3.273) 3.875 3.496 ( -2.514 0.504 1.523) 2.982 3.546 ( -1.208 -5.259 3.354) 6.353 3.635 ( 4.104 -1.390 0.956) 4.437 3.712 ( 3.297 1.395 -0.096) 3.582 3.739 ( 2.350 3.061 -1.466) 4.128 3.796 ( 3.245 -3.497 3.697) 6.035 3.881 ( 1.817 -3.240 -0.395) 3.736 3.954 ( 0.246 3.588 -4.130) 5.476 4.015 ( -0.500 -0.682 1.402) 1.638 4.142 ( -2.065 0.596 -3.593) 4.187 4.209 ( -1.513 0.892 -0.127) 1.761 4.265 ( 1.307 -0.939 -2.218) 2.740 4.363 ( 0.996 2.586 -2.141) 3.502 4.393 ( 1.032 -0.103 -0.440) 1.126 4.581 ( -1.283 1.388 2.281) 2.962 4.658 ( -2.297 -1.137 0.266) 2.577 4.710 ( -0.857 2.022 2.091) 3.033 4.756 ( -0.275 -5.710 0.460) 5.735 4.848 ( -0.845 -3.494 -1.167) 3.779 4.893 ( 3.247 -4.744 0.807) 5.805 4.907 ( 0.661 2.092 -1.672) 2.758 4.989 ( -0.554 0.505 -0.108) 0.757 5.088 ( -1.952 -0.733 -0.317) 2.109 5.143 ( -0.301 -1.972 0.992) 2.228 5.233 ( -2.121 -0.894 -1.939) 3.009 5.332 ( -1.238 -2.093 -1.799) 3.025 5.427 ( 1.930 -6.173 5.002) 8.177 5.515 ( -1.003 -4.848 -2.351) 5.480 6.118 ( 0.219 -2.145 -2.203) 3.083 6.159 ( -1.468 -0.437 1.199) 1.945 6.190 ( 0.672 -2.599 -1.057) 2.885 6.327 ( -2.348 -2.497 3.467) 4.875 6.432 ( -0.597 -0.429 0.546) 0.916 6.534 ( -2.572 -4.792 1.555) 5.657 6.718 ( -0.259 2.152 -0.095) 2.170 6.737 ( 0.661 -0.084 0.022) 0.666 6.799 ( 3.886 -0.992 -6.732) 7.836 6.873 ( 4.324 -2.491 -3.617) 6.163 6.903 ( -1.398 3.286 2.281) 4.237 6.961 ( 5.038 -2.179 1.482) 5.686 7.042 ( -0.174 -0.274 1.746) 1.776 7.270 ( -1.140 -0.520 -0.631) 1.402 7.313 ( 4.317 0.444 -6.547) 7.855 7.399 ( 5.260 -3.090 2.426) 6.565 7.463 ( -2.409 4.494 -1.391) 5.286 7.545 ( 2.959 3.420 0.758) 4.586 7.688 ( -2.024 -0.810 0.976) 2.389 7.779 ( -0.845 4.551 1.437) 4.847 7.914 ( -1.987 0.261 5.745) 6.084 7.991 ( -1.431 4.912 3.037) 5.950 8.065 ( -2.396 2.017 -1.595) 3.515 8.125 ( -5.803 -0.315 1.911) 6.118 8.183 ( -5.603 0.102 4.354) 7.096 8.382 ( -2.055 -2.912 -4.088) 5.424 8.571 ( 6.251 4.751 -3.282) 8.510 8.673 ( 6.319 4.778 -0.144) 7.923 10.705 ( -2.490 11.648 3.055) 12.297 10.965 ( -4.856 11.578 -6.294) 14.045 11.372 ( -1.249 -12.512 -0.178) 12.576 11.569 ( 9.679 -10.513 -1.528) 14.371 13.367 ( -3.162 1.513 -1.235) 3.716 13.420 ( -1.168 1.182 2.030) 2.623 13.453 ( -0.085 0.534 0.819) 0.981 13.551 ( 1.350 -0.035 0.004) 1.351 13.578 ( -9.327 3.923 7.839) 12.799 14.141 ( -14.517 -16.382 -4.996) 22.452 14.518 ( 17.560 22.441 -3.936) 28.765 14.776 ( 16.109 16.598 3.215) 23.352 15.655 ( -1.461 0.522 -0.356) 1.592 15.686 ( -0.873 -0.163 1.522) 1.762 15.733 ( 0.868 -1.020 0.022) 1.339 15.751 ( -1.657 0.094 -0.542) 1.746 15.807 ( -0.090 2.093 3.451) 4.038 15.838 ( -2.176 1.016 -0.776) 2.524 15.884 ( -0.537 -0.429 -0.739) 1.009 15.928 ( 3.190 0.112 0.690) 3.265 17.248 ( -12.791 -9.928 -1.268) 16.242 17.391 ( -10.739 -15.588 -0.050) 18.929 17.443 ( 1.443 1.639 -0.177) 2.191 17.494 ( -2.982 -1.456 -3.250) 4.645 17.625 ( -0.997 -3.839 -0.398) 3.987 17.705 ( -3.958 -9.418 0.605) 10.233 17.864 ( 12.996 6.712 3.139) 14.960 18.162 ( 8.031 -3.178 -2.166) 8.904 ======================= Grid point 83 (41/80) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 5.153 -7.953 -13.507) 16.500 1.513 ( -4.148 6.226 -9.360) 11.983 1.698 ( 0.672 9.324 -9.818) 13.557 1.753 ( 4.005 5.959 -1.294) 7.296 1.858 ( 0.184 6.096 -3.189) 6.883 1.898 ( -14.671 -9.572 10.898) 20.631 2.016 ( -3.994 -0.506 3.763) 5.510 2.078 ( -2.326 3.848 -2.243) 5.025 2.206 ( 3.584 2.645 3.761) 5.830 2.333 ( -2.517 -1.146 -3.260) 4.275 2.383 ( -4.091 -0.453 4.713) 6.257 2.474 ( -3.946 -2.146 2.062) 4.943 2.515 ( 0.584 6.496 5.083) 8.269 2.569 ( 0.456 3.286 3.314) 4.689 2.686 ( -0.048 4.370 1.638) 4.667 2.704 ( 2.542 0.649 0.256) 2.636 2.778 ( -0.911 3.232 1.015) 3.508 2.875 ( -0.180 2.269 -5.440) 5.897 2.902 ( -0.689 5.012 1.722) 5.344 3.028 ( 2.089 6.560 2.142) 7.211 3.165 ( -3.685 -0.484 -1.565) 4.033 3.243 ( 3.186 6.028 0.924) 6.881 3.358 ( 1.051 -1.447 -1.813) 2.546 3.437 ( -2.055 -2.131 1.357) 3.257 3.457 ( -3.505 0.396 2.446) 4.293 3.536 ( -0.670 0.090 2.893) 2.971 3.732 ( 2.623 0.319 -1.291) 2.940 3.752 ( 1.083 5.748 -1.939) 6.162 3.796 ( 3.832 0.494 -1.185) 4.042 3.850 ( 2.651 2.360 -0.949) 3.674 3.924 ( 3.480 -0.281 -2.614) 4.362 3.969 ( 2.826 -0.794 0.015) 2.935 4.057 ( 0.766 0.305 2.689) 2.813 4.089 ( -1.086 2.698 1.216) 3.152 4.155 ( -4.017 -2.618 0.220) 4.800 4.262 ( 2.882 -2.299 -3.026) 4.769 4.360 ( 0.547 2.238 -1.549) 2.776 4.454 ( 1.641 -0.549 3.277) 3.706 4.562 ( -1.453 4.137 1.178) 4.540 4.587 ( -3.985 0.658 -3.034) 5.051 4.682 ( -0.938 -4.333 2.380) 5.031 4.760 ( -0.446 -4.985 -0.438) 5.024 4.856 ( -0.095 -2.721 -0.563) 2.780 4.919 ( 1.054 -7.041 2.062) 7.412 4.959 ( -1.533 4.591 -1.054) 4.953 4.985 ( 5.885 3.734 0.832) 7.019 5.072 ( -0.955 -4.587 1.317) 4.867 5.104 ( -2.378 -4.126 -1.448) 4.978 5.179 ( -3.242 0.335 -0.491) 3.296 5.302 ( 0.864 -0.174 -2.192) 2.362 5.453 ( -0.660 -4.097 -1.816) 4.530 5.518 ( 0.903 -5.573 3.359) 6.570 6.056 ( -1.829 -1.368 -1.366) 2.662 6.171 ( 0.976 -4.936 -4.286) 6.609 6.218 ( 1.666 0.042 3.511) 3.887 6.336 ( -1.756 -2.677 3.650) 4.855 6.418 ( -1.209 -0.988 0.685) 1.705 6.491 ( -3.960 -5.433 1.944) 6.999 6.688 ( -0.887 2.354 -2.471) 3.526 6.755 ( 0.204 2.456 0.207) 2.473 6.793 ( 0.277 -0.824 -1.118) 1.416 6.850 ( 2.445 2.340 -5.830) 6.741 6.926 ( 1.568 1.715 -0.092) 2.326 7.041 ( 0.349 -0.504 0.758) 0.975 7.134 ( 5.533 -1.627 0.763) 5.818 7.233 ( -0.200 -4.463 -1.359) 4.669 7.347 ( 5.922 -1.066 -4.215) 7.347 7.416 ( 0.327 2.683 0.421) 2.735 7.487 ( 1.880 -1.463 -3.637) 4.347 7.599 ( 1.544 4.833 -1.766) 5.372 7.660 ( -0.014 -2.245 0.092) 2.247 7.708 ( -4.250 3.667 2.672) 6.217 7.878 ( -7.890 1.688 0.095) 8.069 8.005 ( 2.781 2.307 1.318) 3.846 8.021 ( -6.385 -4.513 6.605) 10.236 8.137 ( -1.545 -0.679 6.760) 6.968 8.161 ( 0.717 2.960 1.422) 3.361 8.323 ( -1.282 0.221 -0.034) 1.301 8.632 ( 4.451 7.099 -4.213) 9.379 8.745 ( 3.140 5.688 -2.468) 6.950 10.683 ( -2.671 11.562 2.369) 12.101 10.842 ( -2.650 15.270 -3.977) 16.000 11.363 ( -0.306 -13.109 1.408) 13.188 11.705 ( 7.245 -15.204 -3.525) 17.206 13.321 ( -0.552 0.548 -0.564) 0.961 13.382 ( -2.575 -0.678 1.152) 2.901 13.484 ( -3.921 1.740 2.149) 4.798 13.519 ( 0.296 2.054 5.734) 6.098 13.653 ( 2.139 -3.436 9.329) 10.169 13.821 ( -11.303 -10.886 -5.748) 16.713 14.740 ( 12.731 26.406 -10.463) 31.126 15.005 ( 8.272 20.167 -3.623) 22.097 15.626 ( -0.352 0.380 -0.741) 0.904 15.671 ( -0.853 -0.216 -0.844) 1.219 15.716 ( -1.459 0.039 1.523) 2.109 15.730 ( -0.934 0.384 1.131) 1.516 15.802 ( -0.838 0.837 -0.844) 1.454 15.815 ( -0.040 0.078 -0.445) 0.454 15.987 ( 3.274 0.659 4.113) 5.298 16.017 ( 2.822 0.101 2.013) 3.468 16.968 ( -12.468 -16.773 1.264) 20.937 17.203 ( -8.914 -22.543 4.997) 24.751 17.468 ( 1.240 0.573 -0.475) 1.447 17.482 ( 2.449 0.617 -0.440) 2.564 17.591 ( -1.891 -2.783 -0.974) 3.503 17.661 ( -2.190 -6.305 1.372) 6.814 18.087 ( 9.147 4.305 -0.043) 10.110 18.209 ( 0.972 -0.028 -5.774) 5.855 ======================= Grid point 84 (42/80) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 14.852 -12.029 -12.470) 22.821 1.551 ( 1.996 12.439 -14.421) 19.149 1.573 ( 7.974 4.573 3.178) 9.726 1.768 ( -8.149 -13.620 14.239) 21.323 1.819 ( -0.273 0.141 4.647) 4.657 1.928 ( 7.416 10.239 -5.552) 13.808 1.993 ( -3.976 1.007 -1.161) 4.263 2.033 ( 1.764 0.216 6.333) 6.577 2.190 ( -1.677 -0.101 -4.533) 4.835 2.305 ( -4.914 2.904 4.084) 7.018 2.398 ( -0.982 3.951 -5.808) 7.093 2.414 ( -0.276 4.344 7.118) 8.344 2.551 ( 0.070 3.071 1.785) 3.553 2.562 ( -3.721 -2.993 1.618) 5.042 2.670 ( -0.115 4.123 3.353) 5.316 2.727 ( -4.649 3.246 0.463) 5.689 2.778 ( 1.242 -1.072 -7.129) 7.315 2.857 ( 2.212 1.377 -3.367) 4.258 2.914 ( 0.887 9.277 2.484) 9.645 3.020 ( -2.921 3.489 3.840) 5.954 3.119 ( 0.434 3.966 -1.013) 4.117 3.333 ( 3.991 4.633 1.445) 6.283 3.370 ( 1.148 -3.959 -2.753) 4.957 3.401 ( -1.768 2.934 4.356) 5.542 3.485 ( 0.302 -4.792 7.135) 8.600 3.528 ( -3.132 1.870 1.548) 3.962 3.676 ( -2.860 8.148 -6.560) 10.844 3.721 ( 0.134 -1.965 -4.719) 5.114 3.813 ( -0.369 3.173 -1.381) 3.480 3.893 ( 1.637 0.259 -3.582) 3.947 3.919 ( 1.050 1.804 -4.071) 4.575 4.031 ( -2.043 -1.265 -0.858) 2.552 4.063 ( -0.233 -1.885 4.228) 4.635 4.088 ( 2.672 0.347 3.101) 4.108 4.126 ( -1.204 -0.207 0.408) 1.288 4.312 ( 2.493 -0.678 -4.704) 5.367 4.365 ( 2.205 0.071 3.562) 4.190 4.455 ( -3.247 1.309 -1.781) 3.928 4.514 ( 0.221 2.322 -0.989) 2.534 4.567 ( -0.508 3.009 1.260) 3.301 4.691 ( -1.450 -4.898 2.801) 5.826 4.775 ( 1.981 -3.263 1.672) 4.168 4.845 ( 1.420 -1.753 -0.556) 2.324 4.907 ( -4.168 -9.360 -0.960) 10.291 4.956 ( -0.010 4.253 1.446) 4.492 5.032 ( -2.087 -0.348 -3.909) 4.444 5.071 ( 0.287 -2.739 1.531) 3.151 5.115 ( 5.031 1.414 1.587) 5.462 5.164 ( 1.623 -0.805 3.926) 4.324 5.294 ( -0.387 2.086 -2.613) 3.366 5.430 ( -0.067 -3.651 -0.674) 3.713 5.548 ( -1.135 -4.486 1.430) 4.843 6.068 ( 2.384 -2.455 1.916) 3.922 6.141 ( 0.443 -2.251 -3.329) 4.042 6.227 ( -1.849 -0.557 -2.074) 2.834 6.323 ( -2.241 -3.284 2.799) 4.862 6.425 ( -0.948 -2.493 2.787) 3.858 6.447 ( -0.248 -5.498 -0.185) 5.507 6.650 ( -1.008 4.318 -2.179) 4.940 6.737 ( 1.417 -2.586 -5.070) 5.865 6.794 ( -1.018 0.485 3.220) 3.412 6.879 ( 2.821 3.764 -2.014) 5.117 6.948 ( 2.036 0.190 -2.811) 3.476 7.023 ( -0.432 -0.036 1.063) 1.148 7.177 ( -0.089 0.350 -1.009) 1.071 7.260 ( 1.380 -7.386 -1.634) 7.689 7.377 ( 0.786 1.286 -3.711) 4.006 7.422 ( -0.513 3.152 0.220) 3.201 7.510 ( 4.884 -2.950 0.591) 5.737 7.585 ( -0.771 -0.701 -2.963) 3.141 7.655 ( -2.074 0.934 -1.561) 2.759 7.723 ( 2.732 0.144 4.949) 5.655 7.762 ( -3.467 1.648 -1.508) 4.124 7.958 ( -5.124 -2.553 3.416) 6.666 8.023 ( -0.468 3.169 -0.883) 3.323 8.135 ( -1.911 -1.122 3.183) 3.879 8.233 ( 0.118 4.726 7.205) 8.618 8.339 ( 0.434 0.282 3.973) 4.007 8.651 ( 2.190 7.489 -4.433) 8.974 8.742 ( 0.238 6.298 -4.366) 7.666 10.662 ( -1.527 11.940 1.408) 12.119 10.808 ( 2.416 15.606 -2.478) 15.985 11.386 ( 0.023 -14.486 3.506) 14.904 11.742 ( 1.553 -17.247 -5.586) 18.196 13.328 ( 0.793 -0.061 0.525) 0.953 13.377 ( 1.157 -1.127 1.299) 2.073 13.447 ( -1.609 0.263 0.406) 1.681 13.520 ( -9.449 -3.890 0.893) 10.258 13.595 ( 0.177 3.103 6.586) 7.283 13.947 ( 8.463 -8.755 15.650) 19.829 14.743 ( 2.685 26.999 -17.628) 32.356 14.987 ( -2.232 22.094 -12.158) 25.317 15.636 ( 1.289 0.118 0.396) 1.354 15.663 ( 0.517 -0.003 0.248) 0.574 15.716 ( -1.015 0.212 2.759) 2.948 15.746 ( 0.839 0.311 2.480) 2.636 15.776 ( -1.062 0.437 -1.580) 1.953 15.808 ( 0.045 -0.086 -0.691) 0.697 15.930 ( -6.234 -1.991 -5.514) 8.557 15.994 ( -3.111 -2.330 -4.146) 5.683 16.992 ( 5.034 -15.214 14.424) 21.561 17.238 ( 1.711 -20.342 12.920) 24.159 17.500 ( 0.504 -0.761 -0.296) 0.959 17.519 ( 1.764 -1.061 2.426) 3.182 17.554 ( 0.162 -1.600 -1.424) 2.148 17.653 ( -0.563 -5.378 2.578) 5.990 18.084 ( -5.427 3.963 -9.874) 11.944 18.179 ( 3.636 0.712 -6.060) 7.103 ======================= Grid point 85 (43/80) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 12.240 -4.939 -9.973) 16.543 1.400 ( 5.427 14.313 -15.913) 22.080 1.654 ( -6.250 -3.393 1.624) 7.295 1.813 ( -6.010 -0.478 4.694) 7.640 1.888 ( 0.914 8.409 -6.825) 10.869 1.916 ( 4.352 1.674 6.106) 7.683 2.049 ( 2.052 0.935 -2.443) 3.325 2.140 ( 2.492 1.249 1.167) 3.022 2.163 ( 6.001 2.254 4.610) 7.896 2.268 ( -2.203 4.718 -1.315) 5.370 2.359 ( 4.365 5.595 7.762) 10.517 2.413 ( -2.449 -1.204 0.146) 2.732 2.526 ( -2.850 0.195 4.518) 5.345 2.617 ( 2.468 1.040 0.939) 2.838 2.629 ( -0.387 4.378 -1.378) 4.606 2.728 ( 0.842 6.204 3.919) 7.386 2.772 ( 2.385 -3.582 -4.199) 6.013 2.796 ( 0.235 0.257 -5.737) 5.748 2.964 ( -1.563 10.987 6.490) 12.857 3.082 ( -2.519 -1.349 6.653) 7.241 3.099 ( 4.370 7.716 -5.105) 10.232 3.348 ( -0.131 0.960 -0.997) 1.390 3.396 ( 2.639 -2.299 -0.881) 3.609 3.411 ( -5.499 3.129 1.336) 6.466 3.466 ( -1.932 -5.660 5.155) 7.896 3.574 ( -2.000 3.631 -4.268) 5.950 3.590 ( 1.236 -4.335 6.144) 7.620 3.679 ( 0.542 1.216 -4.676) 4.861 3.778 ( -1.003 2.463 -1.429) 3.019 3.843 ( -1.884 -2.102 -2.861) 4.019 3.874 ( -5.767 -1.251 -0.032) 5.901 3.978 ( 0.953 0.017 -0.782) 1.233 4.048 ( -2.597 1.521 0.855) 3.128 4.143 ( 2.757 -0.970 -2.072) 3.582 4.200 ( 3.466 0.413 4.043) 5.341 4.292 ( 1.612 -1.226 -4.323) 4.774 4.381 ( -0.716 0.728 -2.017) 2.261 4.468 ( 2.499 1.291 3.700) 4.648 4.536 ( 0.667 2.498 -0.101) 2.588 4.553 ( 0.322 2.350 -0.250) 2.385 4.678 ( -3.888 -0.522 0.281) 3.933 4.809 ( -1.112 -3.765 1.159) 4.093 4.818 ( 1.617 -4.859 1.525) 5.343 4.906 ( -2.234 1.783 -0.378) 2.883 4.967 ( 3.805 -1.263 0.240) 4.016 4.993 ( -0.343 -4.324 -0.047) 4.337 5.066 ( -0.863 -1.617 -0.536) 1.910 5.188 ( 1.126 0.301 0.108) 1.170 5.234 ( -0.399 1.525 -1.644) 2.278 5.273 ( 2.187 0.748 3.888) 4.523 5.427 ( -1.271 -1.686 0.283) 2.130 5.507 ( -0.881 -1.921 -2.467) 3.248 6.070 ( -0.819 0.653 -1.532) 1.856 6.151 ( 0.711 -2.609 -4.082) 4.896 6.234 ( 0.390 -2.941 4.864) 5.697 6.297 ( 0.654 -5.652 2.647) 6.275 6.443 ( 0.380 -1.829 1.756) 2.564 6.483 ( 3.028 -3.383 0.564) 4.575 6.614 ( 0.361 3.691 -2.904) 4.710 6.730 ( 2.302 -1.970 -3.935) 4.967 6.810 ( -0.286 -0.388 2.006) 2.063 6.886 ( -0.066 -1.306 -0.598) 1.438 6.951 ( 1.864 -1.652 -2.742) 3.704 7.034 ( -4.044 -1.129 1.851) 4.588 7.103 ( -3.033 -0.136 -4.400) 5.346 7.225 ( -1.438 -6.059 -2.254) 6.622 7.357 ( -0.421 1.793 -1.708) 2.512 7.428 ( -1.224 1.673 -2.641) 3.357 7.519 ( -1.897 0.869 -1.189) 2.402 7.546 ( -0.456 -0.159 1.076) 1.179 7.631 ( 0.186 1.507 1.111) 1.881 7.716 ( -0.586 -0.311 -2.734) 2.813 7.832 ( 2.579 0.503 2.532) 3.649 7.937 ( 1.279 0.587 1.797) 2.283 8.041 ( 2.348 4.945 3.991) 6.775 8.146 ( 0.278 2.451 3.453) 4.243 8.280 ( -3.527 3.490 8.973) 10.254 8.399 ( 2.713 -3.716 2.003) 5.018 8.616 ( -1.187 6.794 -5.417) 8.770 8.671 ( -2.731 5.936 -5.628) 8.624 10.660 ( 0.056 12.469 1.106) 12.518 10.876 ( 7.472 13.270 -2.405) 15.418 11.421 ( -0.665 -15.395 4.197) 15.971 11.662 ( -3.549 -15.489 -6.315) 17.099 13.348 ( 0.412 0.859 -0.360) 1.019 13.398 ( 0.876 0.119 -0.172) 0.901 13.450 ( -0.767 -1.069 1.034) 1.673 13.467 ( 3.578 -1.463 3.321) 5.096 13.676 ( -3.026 6.363 13.972) 15.648 14.244 ( 5.905 -14.514 15.636) 22.136 14.534 ( -4.235 22.958 -19.297) 30.288 14.708 ( -10.192 19.988 -18.294) 28.950 15.662 ( 0.323 0.096 1.435) 1.474 15.680 ( -0.537 -0.258 1.770) 1.868 15.729 ( -0.518 0.887 -1.126) 1.524 15.737 ( 0.182 0.852 -0.909) 1.259 15.753 ( -2.512 -2.406 -0.612) 3.532 15.826 ( 3.641 -1.428 2.861) 4.846 15.880 ( 3.629 -0.312 1.568) 3.965 15.923 ( 0.085 -1.742 -2.195) 2.803 17.240 ( 5.601 -9.108 10.483) 14.974 17.399 ( 3.157 -10.596 7.270) 13.232 17.468 ( -1.441 -0.238 -0.912) 1.722 17.552 ( 1.835 -1.005 -4.083) 4.588 17.621 ( 1.288 -6.864 9.851) 12.076 17.701 ( 2.028 -7.119 4.963) 8.912 17.853 ( -7.544 5.599 -10.887) 14.380 18.117 ( -0.785 -2.126 -11.025) 11.256 ======================= Grid point 86 (44/80) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -2.202 20.223 -4.185) 20.769 1.500 ( 4.709 21.843 -16.853) 27.988 1.557 ( 6.663 -3.415 -6.804) 10.117 1.802 ( -1.825 -5.514 5.645) 8.100 1.827 ( 2.972 1.410 -5.529) 6.434 1.963 ( 1.525 1.955 -1.915) 3.133 2.067 ( 0.788 2.303 6.279) 6.735 2.163 ( -4.804 10.886 7.143) 13.878 2.260 ( 2.338 6.259 -0.805) 6.730 2.338 ( -0.717 0.861 4.951) 5.077 2.426 ( 7.121 -0.937 -2.098) 7.483 2.515 ( 1.483 -0.856 0.707) 1.853 2.524 ( -0.406 -1.876 4.294) 4.703 2.618 ( -2.315 -2.663 -0.250) 3.537 2.681 ( -0.767 1.713 1.691) 2.526 2.723 ( 5.843 2.551 -3.195) 7.131 2.777 ( 4.193 6.340 -0.500) 7.618 2.858 ( 2.459 4.214 1.848) 5.217 2.964 ( -1.852 5.922 1.190) 6.318 3.038 ( -3.731 1.894 0.994) 4.301 3.151 ( 1.375 6.282 -0.830) 6.485 3.295 ( -4.372 2.379 2.214) 5.447 3.337 ( -2.454 -0.459 -0.579) 2.563 3.409 ( -7.167 -1.490 3.086) 7.944 3.475 ( 3.756 -2.216 -2.315) 4.938 3.556 ( 1.388 -7.557 2.467) 8.069 3.597 ( -3.290 -2.319 1.775) 4.399 3.649 ( -0.255 -2.797 -1.162) 3.040 3.736 ( -3.261 3.108 0.218) 4.510 3.793 ( -1.376 -2.081 -0.867) 2.641 3.864 ( 4.537 -4.870 -1.050) 6.739 3.993 ( 0.766 0.785 -1.649) 1.980 4.062 ( 1.900 2.707 3.059) 4.505 4.129 ( -1.669 -3.460 -2.778) 4.741 4.244 ( 0.526 -2.306 -0.497) 2.417 4.320 ( 3.712 -2.044 -1.223) 4.410 4.368 ( -1.705 5.982 -0.493) 6.240 4.499 ( 0.214 1.511 -2.492) 2.922 4.540 ( 1.124 1.870 3.357) 4.003 4.591 ( 0.456 0.954 -1.376) 1.736 4.608 ( -0.183 -1.553 0.768) 1.742 4.798 ( -0.627 -2.535 -0.254) 2.623 4.841 ( -2.105 -0.365 -0.520) 2.198 4.916 ( 0.757 -1.325 3.418) 3.743 4.974 ( -0.372 -0.133 -0.323) 0.510 4.999 ( 0.763 -3.866 0.911) 4.045 5.043 ( -0.043 -0.848 -1.919) 2.098 5.151 ( -2.974 -0.531 -2.909) 4.194 5.257 ( 3.017 1.272 1.351) 3.542 5.327 ( 0.817 0.032 -0.140) 0.829 5.391 ( -0.951 -2.599 -0.454) 2.804 5.518 ( 1.532 -0.651 0.892) 1.889 6.072 ( 2.134 -1.499 0.152) 2.612 6.125 ( 0.531 -4.169 -2.962) 5.142 6.233 ( -0.238 -0.240 1.616) 1.651 6.390 ( 0.627 -3.002 3.636) 4.757 6.450 ( -0.734 -0.799 0.582) 1.231 6.544 ( 1.462 -3.296 1.348) 3.849 6.634 ( 4.385 1.842 -1.849) 5.103 6.731 ( 1.501 -1.581 -3.305) 3.959 6.809 ( -2.410 -1.039 1.433) 2.990 6.869 ( -8.343 -3.164 -1.520) 9.051 6.882 ( -0.240 -2.041 -0.363) 2.087 6.939 ( -0.250 -0.962 -1.917) 2.159 7.075 ( 1.197 -0.491 -0.396) 1.353 7.224 ( 4.185 -4.765 -3.381) 7.187 7.297 ( -4.284 1.892 1.125) 4.816 7.362 ( -1.680 -0.947 -4.962) 5.324 7.470 ( -1.958 3.219 -0.760) 3.843 7.583 ( 2.498 -0.867 0.745) 2.747 7.637 ( -1.347 2.933 0.820) 3.330 7.699 ( -0.471 -0.747 2.087) 2.266 7.873 ( 1.942 3.511 0.557) 4.051 7.999 ( -0.546 2.657 5.773) 6.378 8.101 ( -0.232 7.258 2.852) 7.802 8.263 ( 2.552 2.435 4.820) 5.973 8.298 ( 2.088 3.571 6.566) 7.760 8.461 ( 3.132 -6.025 -0.784) 6.835 8.495 ( -5.345 5.263 -7.343) 10.497 8.556 ( -3.618 3.710 -4.837) 7.088 10.683 ( 0.703 12.644 1.761) 12.786 11.010 ( 10.082 8.513 -4.393) 13.907 11.430 ( -2.064 -14.870 2.592) 15.234 11.519 ( -5.565 -9.730 -4.415) 12.048 13.344 ( 1.160 1.809 -1.473) 2.606 13.441 ( 1.208 0.075 0.049) 1.212 13.480 ( 2.433 0.720 3.239) 4.115 13.559 ( 1.938 -1.613 1.527) 2.948 13.728 ( -7.337 7.354 14.975) 18.225 14.300 ( -2.651 15.052 -11.385) 19.058 14.370 ( -0.275 10.045 -9.408) 13.765 14.451 ( -2.545 -7.177 3.807) 8.513 15.672 ( -0.926 0.736 0.312) 1.223 15.675 ( -0.682 -0.065 1.971) 2.087 15.702 ( -0.477 -0.622 0.177) 0.804 15.721 ( 0.953 1.072 -1.439) 2.032 15.784 ( 2.120 -0.238 0.220) 2.145 15.850 ( -0.683 -1.624 -1.270) 2.171 15.966 ( 3.316 0.320 2.457) 4.140 16.011 ( 3.532 -1.092 2.689) 4.572 17.354 ( 0.632 -3.753 3.437) 5.128 17.427 ( -1.110 2.972 0.184) 3.178 17.489 ( 1.969 -2.636 -1.848) 3.774 17.540 ( 2.867 1.208 -3.274) 4.517 17.675 ( -2.901 -0.393 -4.587) 5.441 17.700 ( -2.843 -8.987 7.107) 11.805 17.791 ( 0.186 -11.580 6.167) 13.121 17.998 ( 0.924 -3.089 -9.808) 10.324 ======================= Grid point 87 (45/80) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -8.966 9.609 1.993) 13.293 1.650 ( 3.919 5.782 6.414) 9.483 1.775 ( 1.295 0.817 6.541) 6.718 1.838 ( 6.376 1.359 2.865) 7.121 1.939 ( -2.985 -5.758 -0.858) 6.542 1.969 ( 5.018 0.791 -0.410) 5.096 2.108 ( -1.260 4.018 -4.022) 5.823 2.211 ( 2.549 7.613 1.471) 8.162 2.279 ( -1.756 -7.063 -3.143) 7.928 2.380 ( -1.332 -0.639 0.463) 1.548 2.448 ( -0.153 1.680 -1.114) 2.022 2.474 ( -6.246 -1.360 -4.064) 7.575 2.540 ( 1.254 1.056 -0.814) 1.831 2.610 ( 2.081 -0.443 -0.600) 2.211 2.698 ( 0.071 3.493 0.897) 3.607 2.771 ( 7.711 -4.581 -4.185) 9.898 2.910 ( -2.017 7.148 1.075) 7.504 2.971 ( -2.846 4.124 1.165) 5.144 3.059 ( -4.827 6.222 -0.544) 7.894 3.119 ( 0.061 1.435 -0.318) 1.471 3.170 ( 3.698 -1.889 -0.646) 4.202 3.231 ( 0.184 -4.508 -1.979) 4.927 3.279 ( -2.676 2.834 1.008) 4.026 3.353 ( -4.390 -0.446 6.116) 7.541 3.429 ( -2.216 -2.223 2.802) 4.207 3.541 ( 2.198 -8.725 3.636) 9.704 3.572 ( 0.771 2.580 4.678) 5.397 3.606 ( 0.466 5.161 -2.711) 5.848 3.663 ( 1.664 -3.503 1.838) 4.292 3.736 ( 1.808 -5.389 -1.330) 5.838 3.874 ( -1.111 6.133 -2.200) 6.609 3.984 ( -0.983 -4.430 -3.318) 5.622 4.069 ( 0.792 4.447 -1.161) 4.663 4.156 ( 0.297 -2.676 -1.627) 3.146 4.216 ( 2.402 2.790 2.726) 4.581 4.299 ( 2.345 -3.730 0.747) 4.468 4.400 ( -3.502 4.358 -4.707) 7.308 4.490 ( -2.622 -5.355 -0.535) 5.987 4.525 ( -0.326 5.300 -3.688) 6.465 4.621 ( 0.391 -3.007 -0.045) 3.032 4.644 ( 1.191 2.486 3.512) 4.465 4.727 ( 0.682 -5.204 0.760) 5.303 4.836 ( 1.190 1.166 -1.948) 2.563 4.878 ( -0.995 -2.257 -3.859) 4.580 4.936 ( 1.159 3.700 1.389) 4.119 5.027 ( 0.725 -2.679 2.720) 3.886 5.099 ( -1.436 4.223 -2.482) 5.105 5.130 ( 1.012 1.693 -1.145) 2.281 5.277 ( -0.042 -2.332 0.253) 2.346 5.297 ( 0.245 -3.890 -1.371) 4.132 5.337 ( -1.549 4.569 -1.108) 4.950 5.452 ( -1.375 -6.186 -1.360) 6.481 6.046 ( 1.492 -1.611 0.090) 2.197 6.059 ( 2.951 -2.815 0.283) 4.088 6.286 ( -4.376 2.902 2.019) 5.626 6.335 ( -4.415 -2.122 2.165) 5.355 6.449 ( -0.506 1.034 -0.520) 1.263 6.486 ( -1.181 -2.883 0.686) 3.190 6.711 ( 1.849 1.201 0.133) 2.209 6.730 ( 0.595 -0.586 -0.249) 0.872 6.782 ( 2.026 0.294 -1.309) 2.429 6.784 ( 1.520 -0.725 -0.467) 1.748 6.849 ( 3.066 2.595 -2.158) 4.560 6.932 ( 4.105 -3.260 -2.843) 5.964 7.086 ( -2.152 1.466 1.454) 2.982 7.147 ( 1.441 -5.349 -1.574) 5.759 7.334 ( 1.883 1.351 1.971) 3.042 7.335 ( 2.051 1.068 1.073) 2.550 7.514 ( 1.049 3.226 -0.051) 3.393 7.571 ( 0.046 -2.471 -0.293) 2.489 7.673 ( -0.141 1.002 3.947) 4.075 7.696 ( -1.371 -1.338 4.121) 4.545 8.040 ( 0.597 6.079 2.304) 6.529 8.071 ( -5.592 3.211 6.869) 9.421 8.197 ( -3.733 1.980 2.125) 4.731 8.253 ( -6.802 -0.338 -0.098) 6.811 8.335 ( -6.332 -1.214 -5.967) 8.785 8.345 ( -2.127 -3.157 -4.165) 5.643 8.534 ( 8.257 3.162 -1.937) 9.052 8.570 ( 7.990 -0.209 -0.753) 8.028 10.931 ( -1.162 11.389 2.274) 11.672 11.154 ( -1.052 -11.410 1.081) 11.509 11.204 ( 1.971 5.608 -4.336) 7.358 11.327 ( 2.471 -6.500 -2.706) 7.462 13.409 ( 1.776 2.191 -0.148) 2.824 13.442 ( 0.277 -1.058 0.687) 1.292 13.517 ( -2.199 0.964 -2.063) 3.166 13.538 ( -1.201 -1.043 -1.511) 2.194 13.841 ( -12.674 9.623 11.776) 19.797 14.064 ( -11.843 -13.804 8.506) 20.079 14.582 ( 14.494 10.745 -7.808) 19.660 14.653 ( 16.389 3.912 -6.352) 18.007 15.678 ( -0.568 0.190 1.549) 1.660 15.687 ( -0.733 -0.511 2.101) 2.283 15.709 ( 0.092 2.599 -0.594) 2.668 15.761 ( -0.047 -0.769 -0.813) 1.120 15.793 ( 1.663 -0.338 0.408) 1.745 15.817 ( 2.459 -1.316 0.229) 2.798 15.973 ( -3.473 0.655 -2.451) 4.301 15.986 ( -3.572 -0.669 -2.694) 4.524 17.314 ( -6.911 -1.322 4.161) 8.174 17.357 ( -8.141 -6.180 4.026) 10.985 17.477 ( 0.928 2.878 -0.846) 3.140 17.543 ( 0.528 -3.779 -0.884) 3.917 17.560 ( -4.397 -1.054 1.492) 4.762 17.604 ( -4.157 -5.473 2.776) 7.413 17.791 ( 9.621 8.453 -3.581) 13.298 17.929 ( 9.091 -5.823 -4.802) 11.816 ======================= Grid point 88 (46/80) ======================= q-point: ( 0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -12.887 12.566 1.669) 18.076 1.646 ( -12.921 -15.433 9.592) 22.297 1.845 ( -3.701 2.926 -2.407) 5.297 1.899 ( 1.304 -1.091 0.446) 1.758 1.935 ( -3.215 8.964 -4.858) 10.690 1.996 ( -0.838 2.209 -0.175) 2.369 2.060 ( -1.238 2.236 3.604) 4.419 2.197 ( -4.250 -0.407 -5.006) 6.579 2.237 ( -6.200 -2.278 -3.489) 7.470 2.288 ( 0.106 -7.548 2.428) 7.929 2.361 ( 6.882 10.229 2.383) 12.557 2.484 ( 0.650 0.623 -1.061) 1.392 2.508 ( -2.825 0.925 -2.955) 4.192 2.607 ( 1.534 -5.174 -4.667) 7.135 2.743 ( 1.312 7.689 4.021) 8.776 2.835 ( -0.028 -1.944 -2.877) 3.472 2.863 ( -5.385 5.414 2.688) 8.095 2.928 ( -3.100 1.035 1.989) 3.826 2.991 ( 0.235 6.538 1.225) 6.656 3.081 ( 1.081 -1.458 -1.922) 2.644 3.190 ( 0.984 1.876 -1.547) 2.624 3.252 ( 2.106 2.403 0.464) 3.229 3.342 ( -0.999 -5.984 0.644) 6.101 3.351 ( 3.459 -2.470 0.565) 4.288 3.450 ( 0.461 2.217 6.421) 6.809 3.587 ( -1.605 5.869 1.409) 6.246 3.597 ( 1.271 -7.722 2.548) 8.230 3.667 ( 3.639 -2.250 3.117) 5.293 3.755 ( 5.847 1.285 0.906) 6.054 3.796 ( 5.516 -3.564 0.783) 6.614 3.856 ( 2.179 5.841 -2.448) 6.697 3.959 ( 1.374 -3.561 -1.786) 4.214 4.076 ( 1.166 3.859 -0.028) 4.032 4.137 ( 0.054 -1.637 -2.945) 3.370 4.239 ( -0.653 3.631 -1.397) 3.945 4.303 ( -2.041 2.375 -5.645) 6.455 4.339 ( 0.576 -0.063 2.990) 3.046 4.476 ( 0.110 -3.944 1.466) 4.210 4.492 ( 0.646 1.161 -3.033) 3.312 4.606 ( -0.288 -4.327 -1.644) 4.638 4.693 ( -0.042 1.588 3.728) 4.052 4.760 ( 0.912 -4.384 2.843) 5.304 4.795 ( -4.768 2.368 -3.800) 6.540 4.831 ( -0.081 -1.683 -2.947) 3.395 4.951 ( 0.023 1.847 0.062) 1.848 5.012 ( -1.831 -2.388 1.084) 3.199 5.064 ( 0.120 3.237 -1.988) 3.801 5.129 ( -1.173 -1.126 -2.402) 2.901 5.271 ( -1.187 4.482 -0.388) 4.652 5.302 ( 0.431 0.242 -0.787) 0.929 5.343 ( 3.242 -3.410 3.274) 5.732 5.396 ( -1.478 -6.989 -2.851) 7.691 6.085 ( 1.729 -0.711 -1.871) 2.645 6.103 ( 1.590 -2.511 -2.227) 3.714 6.211 ( -4.080 2.495 3.433) 5.888 6.268 ( -4.285 -3.222 4.235) 6.832 6.431 ( -1.470 0.381 0.365) 1.562 6.460 ( -2.530 -2.751 0.975) 3.862 6.725 ( -0.165 0.793 -1.734) 1.914 6.752 ( 1.379 -1.491 -2.629) 3.322 6.812 ( 3.619 3.001 1.966) 5.096 6.864 ( 7.174 -0.918 -2.829) 7.766 6.926 ( 5.078 1.926 -0.214) 5.436 6.978 ( 3.668 0.271 -1.093) 3.837 7.039 ( -3.261 2.078 1.496) 4.146 7.146 ( 0.594 -7.691 -3.105) 8.315 7.359 ( 0.408 2.338 -1.140) 2.633 7.386 ( 1.523 -0.419 0.839) 1.789 7.539 ( -1.723 3.359 -1.033) 3.914 7.584 ( 2.487 -0.540 1.338) 2.876 7.698 ( -0.273 3.072 4.204) 5.214 7.782 ( 4.306 -4.118 7.263) 9.394 7.970 ( -10.457 5.583 1.512) 11.950 8.060 ( -9.785 -2.713 2.699) 10.506 8.078 ( -2.431 3.727 -0.274) 4.458 8.126 ( -4.113 -1.170 -1.439) 4.512 8.210 ( -1.006 3.486 0.369) 3.647 8.297 ( -0.392 -5.022 -1.450) 5.242 8.669 ( 8.162 4.393 -3.013) 9.747 8.717 ( 7.752 -0.261 -1.676) 7.935 10.920 ( -2.312 10.988 2.244) 11.450 11.137 ( -1.728 -11.046 0.828) 11.211 11.173 ( -0.376 9.612 -3.916) 10.386 11.369 ( 4.434 -10.263 -2.812) 11.527 13.397 ( -3.325 1.447 -1.267) 3.841 13.420 ( -3.199 -0.899 -0.345) 3.341 13.485 ( 1.748 2.406 1.610) 3.382 13.528 ( 1.378 -1.824 1.745) 2.876 13.687 ( -13.225 7.236 6.834) 16.552 13.867 ( -14.824 -11.748 2.490) 19.078 14.890 ( 23.966 14.252 -6.923) 28.730 14.997 ( 24.373 4.018 -5.221) 25.248 15.674 ( -1.281 1.367 0.159) 1.881 15.689 ( -1.293 0.964 1.322) 2.086 15.702 ( -0.337 -1.572 -0.114) 1.612 15.733 ( -1.551 -2.106 -0.872) 2.757 15.850 ( -1.686 1.286 0.531) 2.186 15.863 ( 2.359 1.721 5.246) 6.004 15.871 ( -3.008 -0.123 -3.024) 4.267 15.913 ( 2.277 -1.784 1.671) 3.341 17.086 ( -20.373 -4.571 1.061) 20.907 17.129 ( -19.357 -9.161 2.254) 21.534 17.487 ( 0.990 2.634 -0.521) 2.862 17.502 ( -1.211 1.962 -0.430) 2.346 17.549 ( 0.036 -3.608 -0.435) 3.635 17.571 ( -1.534 -4.958 0.815) 5.254 17.991 ( 12.289 6.013 -0.715) 13.700 18.090 ( 10.509 -4.365 -2.579) 11.668 ======================= Grid point 89 (47/80) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -9.315 11.243 2.702) 14.848 1.489 ( -15.236 -20.761 11.484) 28.197 1.639 ( -5.803 6.807 -3.723) 9.689 1.760 ( -6.676 -4.902 -2.824) 8.751 1.847 ( -3.514 3.966 -1.494) 5.506 1.934 ( -4.479 -4.227 0.152) 6.160 2.107 ( 2.630 8.408 -0.138) 8.811 2.151 ( 1.628 3.615 -2.941) 4.936 2.234 ( 0.718 0.778 3.351) 3.514 2.296 ( -4.289 -1.792 -3.048) 5.558 2.412 ( -0.295 -0.593 -2.594) 2.678 2.432 ( 2.521 1.373 0.773) 2.973 2.559 ( 5.264 1.071 2.587) 5.962 2.633 ( 1.995 -4.415 0.091) 4.846 2.746 ( -2.028 2.793 -4.597) 5.748 2.774 ( -5.215 9.796 3.388) 11.604 2.789 ( -0.055 -1.735 -3.890) 4.260 2.892 ( -2.006 -1.009 0.267) 2.262 3.027 ( -0.014 5.965 2.040) 6.304 3.113 ( 1.309 -3.633 0.420) 3.884 3.219 ( 1.040 4.410 0.001) 4.531 3.307 ( 1.591 3.619 7.115) 8.139 3.325 ( 0.386 -1.591 -2.533) 3.016 3.394 ( 3.061 2.635 -2.391) 4.693 3.490 ( -2.183 0.030 3.084) 3.778 3.584 ( -0.022 2.998 2.027) 3.619 3.634 ( -0.845 -6.257 2.769) 6.895 3.732 ( 0.462 -5.696 2.670) 6.307 3.849 ( 4.348 3.517 -2.355) 6.068 3.885 ( 3.258 0.728 -1.506) 3.663 3.931 ( 6.042 1.997 0.645) 6.396 3.989 ( 3.042 -2.895 -2.884) 5.094 4.090 ( -0.943 4.626 -3.511) 5.883 4.127 ( 1.717 1.093 1.257) 2.392 4.202 ( -2.797 4.811 -3.025) 6.334 4.227 ( 2.149 -0.583 -2.549) 3.385 4.366 ( -0.730 0.431 2.283) 2.435 4.490 ( 0.218 -4.252 -0.596) 4.299 4.509 ( 1.583 -1.339 3.358) 3.947 4.591 ( -0.446 -2.047 -1.008) 2.325 4.656 ( -4.150 2.721 0.131) 4.964 4.679 ( -2.410 -1.122 -2.841) 3.891 4.809 ( 0.680 -2.120 2.486) 3.337 4.822 ( -0.972 -3.473 1.240) 3.814 4.962 ( 0.796 -0.974 -1.088) 1.663 4.996 ( 0.798 -4.543 -1.972) 5.016 5.068 ( 0.810 3.930 0.650) 4.065 5.095 ( 1.441 2.280 -0.367) 2.722 5.216 ( -2.802 3.348 -1.298) 4.555 5.309 ( 0.044 -2.547 -0.197) 2.555 5.374 ( 1.101 -0.675 -1.179) 1.749 5.430 ( 1.559 -3.847 3.306) 5.307 6.048 ( -1.099 0.533 -2.014) 2.355 6.085 ( 0.297 -3.444 -3.062) 4.618 6.231 ( 0.063 1.580 4.289) 4.572 6.277 ( -1.310 -3.009 4.943) 5.934 6.397 ( -2.607 -0.585 0.405) 2.702 6.414 ( -3.656 -2.479 1.218) 4.582 6.702 ( 0.370 0.763 -2.969) 3.088 6.731 ( 0.541 -2.180 -4.109) 4.683 6.875 ( -0.178 4.792 -1.813) 5.127 6.930 ( 4.939 3.512 -3.287) 6.895 6.986 ( -0.463 1.545 3.818) 4.145 7.033 ( 3.431 2.400 -3.528) 5.475 7.071 ( 4.332 -4.242 1.286) 6.198 7.126 ( 3.005 -5.219 -3.467) 6.949 7.359 ( 1.216 1.946 -0.182) 2.302 7.417 ( 1.533 -3.735 -0.200) 4.042 7.500 ( -1.153 4.878 -0.134) 5.014 7.594 ( -0.803 -4.412 0.107) 4.486 7.729 ( -1.701 6.882 -3.224) 7.788 7.786 ( -8.074 3.575 1.908) 9.034 7.872 ( -4.538 -2.837 -2.105) 5.751 7.899 ( -2.743 -5.012 6.979) 9.019 8.065 ( -1.194 2.033 2.809) 3.667 8.096 ( -2.246 -1.738 4.269) 5.127 8.247 ( 1.918 4.091 3.153) 5.510 8.307 ( 0.475 -2.000 2.380) 3.145 8.753 ( 5.115 4.844 -4.382) 8.297 8.801 ( 4.494 0.081 -3.675) 5.806 10.899 ( -2.192 11.133 2.081) 11.536 11.114 ( -0.740 -2.830 -0.908) 3.063 11.134 ( -0.732 5.399 -1.329) 5.608 11.411 ( 3.512 -15.063 -3.937) 15.961 13.338 ( -1.625 1.142 -0.471) 2.041 13.361 ( -2.306 -1.248 -0.079) 2.623 13.529 ( -6.502 2.888 0.264) 7.120 13.564 ( 2.387 2.206 4.997) 5.961 13.595 ( -7.083 -2.264 9.507) 12.069 13.654 ( -4.788 -6.301 4.853) 9.283 15.188 ( 19.445 17.821 -16.879) 31.315 15.304 ( 18.711 7.435 -15.832) 25.613 15.637 ( -1.513 0.947 -0.227) 1.800 15.662 ( -1.062 -0.895 -0.826) 1.616 15.703 ( -0.215 -0.937 0.801) 1.252 15.714 ( -0.164 -1.742 0.192) 1.760 15.820 ( -0.444 0.678 -1.135) 1.395 15.823 ( 0.008 0.588 -0.999) 1.159 16.004 ( 2.768 0.999 4.543) 5.413 16.016 ( 2.598 -0.234 2.252) 3.446 16.715 ( -20.952 -6.192 10.637) 24.300 16.814 ( -17.737 -15.385 12.306) 26.509 17.494 ( 0.279 2.142 0.216) 2.171 17.502 ( 1.028 1.508 -0.471) 1.885 17.539 ( -0.380 -2.397 -1.028) 2.636 17.560 ( -0.867 -4.206 1.388) 4.514 18.157 ( 7.633 2.854 -3.789) 8.987 18.197 ( 4.890 -1.325 -5.727) 7.646 ======================= Grid point 90 (48/80) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 2.077 5.648 3.361) 6.892 1.373 ( -8.978 -19.129 13.237) 24.935 1.689 ( 7.061 4.763 8.502) 12.034 1.733 ( 4.565 2.348 -0.850) 5.204 1.838 ( 1.565 2.393 1.030) 3.039 1.922 ( 1.270 -5.174 4.263) 6.823 2.033 ( -3.665 6.228 -4.330) 8.425 2.186 ( 2.219 5.885 -3.083) 7.004 2.195 ( -1.643 -7.737 -2.595) 8.325 2.213 ( -1.112 0.725 -2.228) 2.594 2.472 ( 4.549 2.728 1.332) 5.469 2.501 ( 2.230 1.898 3.376) 4.470 2.581 ( -2.717 5.172 -5.764) 8.207 2.629 ( -1.728 1.024 -1.447) 2.476 2.678 ( -2.044 -1.357 -0.152) 2.458 2.758 ( 0.972 2.296 -4.364) 5.026 2.774 ( 2.844 -2.453 -0.726) 3.825 2.834 ( -4.020 -1.125 0.377) 4.191 3.025 ( -0.970 5.160 2.583) 5.851 3.132 ( 0.269 -3.031 2.066) 3.678 3.202 ( -1.211 6.359 -1.528) 6.651 3.292 ( 0.300 -1.839 -5.072) 5.404 3.402 ( -2.937 4.940 3.962) 6.980 3.436 ( 3.163 4.444 5.042) 7.428 3.495 ( 0.935 -0.122 3.158) 3.295 3.589 ( -4.526 -6.470 -1.659) 8.068 3.603 ( -0.787 2.871 2.235) 3.723 3.727 ( -3.586 -4.837 0.771) 6.070 3.853 ( 0.790 3.983 -3.430) 5.315 3.912 ( 0.118 -0.475 -4.276) 4.304 3.968 ( -0.782 -1.619 -2.420) 3.015 3.992 ( -0.925 -0.980 -1.021) 1.690 4.038 ( 1.032 4.919 -3.684) 6.231 4.120 ( 1.287 -0.622 -0.951) 1.717 4.184 ( 1.349 4.765 -2.593) 5.590 4.270 ( 2.878 -3.501 -4.751) 6.566 4.384 ( -0.021 2.956 5.122) 5.914 4.473 ( -1.427 -2.388 1.502) 3.161 4.557 ( -0.997 -0.061 -0.341) 1.056 4.601 ( 3.542 2.774 4.693) 6.501 4.621 ( -1.122 -0.392 0.828) 1.449 4.702 ( 3.659 -3.680 3.189) 6.091 4.777 ( -4.074 -3.157 -0.673) 5.198 4.792 ( -0.793 -3.060 -0.447) 3.193 4.977 ( 0.666 -0.419 -1.430) 1.632 5.002 ( 0.023 -2.700 -2.754) 3.857 5.079 ( 0.692 4.383 0.715) 4.495 5.142 ( 1.777 -1.228 1.155) 2.449 5.209 ( 2.311 5.324 2.782) 6.436 5.330 ( 1.283 -6.431 0.079) 6.558 5.367 ( -0.783 4.811 0.017) 4.874 5.459 ( -1.126 -4.617 1.956) 5.140 6.050 ( 2.098 0.540 0.369) 2.198 6.084 ( 2.201 -2.809 -1.282) 3.792 6.226 ( -3.494 0.636 -0.261) 3.561 6.259 ( -4.300 -2.800 1.509) 5.349 6.383 ( 0.248 -1.285 1.463) 1.963 6.386 ( 0.449 -1.383 2.229) 2.662 6.691 ( 2.184 0.428 -3.970) 4.552 6.703 ( 1.840 -1.026 -5.738) 6.112 6.835 ( -1.610 3.443 -0.299) 3.813 6.903 ( -2.905 -2.321 -1.573) 4.037 7.007 ( -0.809 5.274 -1.861) 5.651 7.065 ( 3.580 4.135 -0.576) 5.499 7.123 ( -1.031 -5.375 -0.647) 5.511 7.153 ( 0.927 -3.381 -2.546) 4.333 7.397 ( 1.552 1.099 -0.306) 1.926 7.441 ( 2.031 -3.024 -0.021) 3.643 7.498 ( 0.332 4.018 1.455) 4.286 7.569 ( -0.847 -2.247 -1.325) 2.743 7.666 ( -1.447 0.950 -1.221) 2.118 7.693 ( -0.747 -1.559 -1.163) 2.083 7.830 ( -0.948 3.675 2.365) 4.472 7.897 ( -1.562 -3.362 2.347) 4.387 8.077 ( -0.427 2.151 1.829) 2.855 8.109 ( -0.457 -1.432 3.275) 3.603 8.306 ( -0.921 2.752 6.357) 6.988 8.338 ( -1.342 -0.643 5.025) 5.241 8.771 ( 1.942 4.488 -5.110) 7.073 8.810 ( 1.153 0.669 -5.137) 5.307 10.887 ( -1.141 11.705 1.903) 11.913 11.099 ( 1.628 9.748 -3.101) 10.358 11.128 ( -0.299 -7.096 1.752) 7.315 11.413 ( 1.651 -16.586 -5.191) 17.458 13.333 ( 0.861 0.603 0.663) 1.243 13.351 ( 1.170 -1.245 0.825) 1.897 13.449 ( -2.687 0.119 -0.124) 2.692 13.463 ( -5.032 -1.683 -0.298) 5.314 13.684 ( -0.451 5.412 14.694) 15.665 13.800 ( 2.181 -6.693 16.945) 18.349 15.215 ( 6.128 19.666 -27.344) 34.234 15.334 ( 6.138 10.048 -27.403) 29.826 15.640 ( 1.101 0.544 1.356) 1.830 15.659 ( 0.731 -0.462 0.703) 1.115 15.705 ( -0.534 -1.139 0.719) 1.449 15.722 ( 1.017 -2.369 0.150) 2.583 15.804 ( -2.648 1.748 -0.788) 3.269 15.818 ( 0.656 1.460 -0.136) 1.607 15.873 ( -10.872 -3.104 -4.694) 12.242 15.916 ( -5.561 -5.370 -5.143) 9.285 16.781 ( 3.347 -4.044 27.290) 27.790 16.884 ( 1.678 -13.918 25.629) 29.212 17.500 ( 0.301 0.605 -1.434) 1.585 17.518 ( 0.457 -0.259 -0.099) 0.535 17.527 ( 0.412 0.006 0.924) 1.011 17.568 ( -0.334 -3.407 2.752) 4.393 18.147 ( -1.421 2.499 -10.440) 10.828 18.179 ( 1.653 -0.811 -9.081) 9.266 ======================= Grid point 91 (49/80) ======================= q-point: (-0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 10.100 0.778 4.016) 10.897 1.421 ( -0.862 -13.763 13.369) 19.207 1.743 ( 1.237 15.469 -11.676) 19.420 1.874 ( 2.381 4.778 0.417) 5.355 1.926 ( 3.087 -0.977 4.363) 5.433 2.001 ( 4.261 -1.051 -1.272) 4.569 2.020 ( 4.588 -3.276 5.037) 7.560 2.147 ( -3.181 -3.066 -1.505) 4.667 2.233 ( 5.114 2.795 3.012) 6.561 2.269 ( 6.766 0.361 2.915) 7.376 2.402 ( -4.401 6.932 -9.369) 12.458 2.503 ( 0.421 3.908 -2.614) 4.720 2.557 ( -2.897 0.551 -0.889) 3.080 2.614 ( 3.575 -4.211 -0.521) 5.549 2.651 ( 0.620 -1.089 -2.569) 2.858 2.714 ( -0.203 -3.085 0.617) 3.153 2.784 ( 0.653 4.135 -2.362) 4.807 2.843 ( 2.579 2.200 3.563) 4.918 3.080 ( 0.170 2.905 5.891) 6.570 3.151 ( -2.884 7.192 -0.222) 7.752 3.204 ( 4.816 -5.252 2.701) 7.620 3.249 ( 0.855 -1.871 -5.255) 5.643 3.374 ( -2.238 1.391 2.500) 3.632 3.429 ( -8.183 -0.498 -1.984) 8.435 3.491 ( -1.631 3.631 1.928) 4.423 3.569 ( -1.002 1.032 5.532) 5.716 3.592 ( -2.653 -1.297 -0.650) 3.024 3.661 ( -2.515 -3.299 2.009) 4.610 3.794 ( -6.057 0.246 -3.713) 7.108 3.811 ( -3.236 -0.826 -3.285) 4.685 3.916 ( -0.858 5.131 0.315) 5.212 4.016 ( 1.969 -0.782 0.461) 2.168 4.036 ( 0.833 1.456 -1.274) 2.106 4.143 ( 2.600 -3.663 -3.223) 5.528 4.172 ( 1.013 1.583 -4.236) 4.635 4.241 ( 1.343 -3.651 -5.559) 6.785 4.432 ( 1.215 4.553 3.593) 5.926 4.510 ( 0.401 -0.356 5.386) 5.413 4.552 ( 0.763 1.122 -0.067) 1.358 4.596 ( -2.342 1.996 -0.144) 3.080 4.676 ( -4.169 -3.001 0.499) 5.161 4.703 ( 0.635 -2.353 -0.266) 2.451 4.796 ( 5.241 2.261 3.496) 6.693 4.869 ( 4.954 -3.462 2.534) 6.554 4.950 ( -1.083 -0.956 -0.974) 1.743 4.957 ( -0.635 -1.429 -1.967) 2.513 5.090 ( 0.131 4.189 -1.400) 4.418 5.169 ( 0.615 -2.933 -2.118) 3.670 5.276 ( 0.140 2.745 0.962) 2.912 5.308 ( -0.174 1.219 0.457) 1.314 5.384 ( -1.348 -0.751 2.562) 2.991 5.441 ( -0.717 -4.377 0.628) 4.480 6.079 ( 0.281 0.801 -2.238) 2.394 6.104 ( -0.314 -1.888 -3.711) 4.175 6.199 ( 0.091 -0.819 3.695) 3.786 6.214 ( 1.549 -2.609 3.776) 4.844 6.421 ( 1.158 -0.252 1.699) 2.072 6.435 ( 2.277 -1.671 1.680) 3.286 6.687 ( 3.706 2.543 -6.167) 7.631 6.712 ( 3.415 -0.429 -3.543) 4.940 6.820 ( -1.808 1.666 2.463) 3.480 6.855 ( -1.471 -1.538 -0.031) 2.128 6.946 ( -2.466 1.163 -2.981) 4.040 6.995 ( -8.907 -2.777 -2.414) 9.637 7.100 ( -0.410 -0.356 -2.122) 2.190 7.119 ( -0.555 -3.577 -1.130) 3.792 7.398 ( -0.380 2.558 -2.218) 3.407 7.442 ( -1.797 -1.152 -2.824) 3.540 7.538 ( 1.728 0.877 1.195) 2.276 7.549 ( -0.648 0.679 -1.087) 1.436 7.640 ( -0.088 0.648 0.801) 1.034 7.680 ( -0.775 -2.836 -1.738) 3.415 7.897 ( 3.826 4.287 4.252) 7.148 7.945 ( 3.768 -0.468 4.146) 5.622 8.115 ( 3.321 2.864 2.580) 5.088 8.158 ( 3.216 -1.311 2.931) 4.544 8.326 ( -4.406 1.362 7.758) 9.025 8.347 ( -2.478 -1.444 3.996) 4.919 8.718 ( -2.008 3.479 -6.229) 7.412 8.741 ( -2.664 1.214 -6.481) 7.112 10.896 ( 0.002 12.242 1.934) 12.394 11.116 ( 3.151 6.422 -2.791) 7.678 11.151 ( 0.762 -7.119 1.767) 7.375 11.380 ( 0.477 -13.861 -5.276) 14.839 13.372 ( 2.012 1.628 -0.602) 2.658 13.401 ( 2.922 -0.592 -1.056) 3.163 13.426 ( 0.508 -0.529 2.067) 2.193 13.440 ( 2.035 -1.276 1.802) 3.003 13.817 ( -3.302 8.283 18.612) 20.638 14.000 ( -0.493 -10.934 19.296) 22.184 14.914 ( -6.292 14.389 -28.018) 32.119 14.996 ( -8.539 7.089 -29.450) 31.471 15.669 ( -0.690 0.659 2.032) 2.245 15.679 ( -1.132 0.307 2.170) 2.467 15.704 ( 0.728 -1.421 1.161) 1.975 15.733 ( -0.122 -1.144 -0.299) 1.188 15.753 ( -0.011 0.745 -1.425) 1.608 15.781 ( 2.330 -2.907 0.063) 3.726 15.874 ( 3.985 -0.092 1.751) 4.354 15.885 ( 3.306 -1.441 0.543) 3.647 17.111 ( 5.815 -2.580 18.493) 19.556 17.176 ( 4.631 -9.075 18.010) 20.692 17.481 ( -0.016 1.286 -2.123) 2.482 17.516 ( 1.321 -2.150 -2.686) 3.685 17.569 ( -0.345 -0.074 5.999) 6.010 17.601 ( -0.288 -3.345 5.004) 6.026 17.969 ( -4.644 5.692 -13.253) 15.153 18.061 ( -2.090 -3.817 -12.878) 13.593 ======================= Grid point 92 (50/80) ======================= q-point: (-0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 8.551 0.337 3.847) 9.382 1.548 ( 2.037 -3.169 7.305) 8.219 1.679 ( 3.148 12.233 -1.440) 12.713 1.828 ( -4.889 4.687 -1.316) 6.899 1.928 ( 0.010 -1.845 -3.333) 3.810 2.041 ( -2.257 3.463 -5.802) 7.124 2.068 ( 4.211 5.196 1.452) 6.844 2.224 ( 4.671 -0.886 -1.616) 5.021 2.252 ( 1.089 -4.333 3.169) 5.477 2.355 ( 1.748 0.808 -2.659) 3.283 2.434 ( 4.292 1.503 1.601) 4.821 2.480 ( 2.040 -5.280 -4.285) 7.100 2.521 ( -0.759 2.859 5.391) 6.149 2.615 ( 0.086 -1.923 -1.617) 2.514 2.680 ( 2.922 0.919 -1.367) 3.355 2.736 ( 1.705 -0.858 -5.259) 5.595 2.855 ( 5.644 6.028 4.504) 9.406 2.956 ( 4.609 0.584 2.651) 5.349 3.067 ( -2.874 6.535 -0.926) 7.199 3.113 ( -1.754 4.149 3.270) 5.566 3.207 ( -2.007 -2.568 -1.826) 3.736 3.253 ( -2.139 -4.784 -4.728) 7.058 3.358 ( -2.675 -0.757 9.953) 10.334 3.405 ( 1.102 -1.890 4.102) 4.649 3.431 ( -4.463 4.696 -0.742) 6.521 3.480 ( -4.021 0.140 -2.353) 4.661 3.580 ( -3.116 -1.588 2.920) 4.556 3.643 ( -2.318 1.055 -1.380) 2.897 3.667 ( -4.399 -3.549 3.153) 6.473 3.746 ( -0.678 -4.044 -2.936) 5.043 3.911 ( -0.968 6.721 -0.198) 6.793 4.029 ( -0.723 -4.423 -1.181) 4.635 4.054 ( 2.493 4.010 -1.607) 4.988 4.151 ( 1.479 4.151 -1.377) 4.616 4.162 ( 1.414 -5.197 -1.183) 5.514 4.246 ( 3.128 -4.759 -1.659) 5.931 4.486 ( -1.600 4.595 1.636) 5.133 4.541 ( -1.595 0.562 -1.078) 2.005 4.558 ( -0.906 0.743 2.330) 2.608 4.577 ( 2.302 -0.313 0.491) 2.375 4.607 ( -0.613 1.838 -0.743) 2.076 4.706 ( 1.106 -6.172 -0.961) 6.344 4.856 ( -1.757 2.373 -1.695) 3.405 4.918 ( -0.107 -3.588 -1.618) 3.938 4.932 ( 1.409 2.434 1.692) 3.282 4.982 ( 0.737 -1.721 -0.565) 1.955 5.089 ( 2.092 5.071 -0.708) 5.531 5.149 ( 0.339 -0.492 -1.989) 2.077 5.269 ( 1.116 -0.287 -0.005) 1.152 5.308 ( -1.177 -4.087 -1.039) 4.378 5.366 ( -1.230 3.747 0.847) 4.034 5.459 ( 0.445 -4.792 1.002) 4.916 6.040 ( -0.590 -0.943 -1.511) 1.876 6.054 ( -0.905 -2.501 -2.452) 3.618 6.266 ( 2.096 2.963 4.455) 5.747 6.328 ( 1.989 -3.296 5.192) 6.464 6.447 ( 0.706 0.618 0.470) 1.050 6.481 ( 0.949 -2.827 1.157) 3.199 6.716 ( 2.739 4.801 -3.168) 6.371 6.730 ( 2.593 1.389 -3.282) 4.407 6.779 ( -3.941 -1.684 0.297) 4.296 6.810 ( -5.379 -2.945 -1.146) 6.239 6.858 ( -0.031 0.203 -1.124) 1.142 6.900 ( 0.646 -3.113 -2.191) 3.861 7.076 ( 0.482 0.967 0.796) 1.341 7.124 ( 2.218 -4.179 -2.071) 5.165 7.334 ( -2.808 1.665 -1.453) 3.573 7.356 ( -2.986 -0.509 -3.032) 4.286 7.525 ( -0.844 2.637 -0.927) 2.920 7.567 ( 0.742 -1.372 0.023) 1.560 7.654 ( -0.527 0.339 2.264) 2.349 7.675 ( -0.029 -1.515 2.432) 2.865 7.994 ( 2.421 6.839 2.760) 7.762 8.051 ( 0.740 1.359 6.476) 6.658 8.211 ( 0.592 3.926 4.572) 6.055 8.292 ( 8.466 -1.639 0.028) 8.623 8.310 ( -4.604 -0.863 6.490) 8.004 8.350 ( 2.715 -2.687 1.082) 3.970 8.578 ( -5.541 3.090 -7.888) 10.123 8.604 ( -4.674 0.623 -6.483) 8.016 10.918 ( 0.095 12.080 2.143) 12.269 11.147 ( 1.577 -5.526 -0.411) 5.761 11.184 ( 2.641 0.788 -1.419) 3.100 11.339 ( 0.317 -9.005 -4.159) 9.924 13.385 ( 1.646 2.275 -1.506) 3.186 13.425 ( 1.369 -1.672 -0.856) 2.324 13.500 ( 3.502 1.283 2.219) 4.340 13.528 ( 3.030 -1.568 1.728) 3.824 13.891 ( -8.155 9.762 17.081) 21.297 14.112 ( -6.088 -13.348 15.192) 21.119 14.595 ( -1.476 9.733 -18.234) 20.722 14.637 ( -1.490 5.818 -19.598) 20.498 15.673 ( -0.598 0.113 1.615) 1.726 15.680 ( -0.763 -0.483 1.970) 2.167 15.712 ( 0.174 2.533 -0.505) 2.589 15.748 ( 1.559 1.366 -0.878) 2.251 15.768 ( 1.950 -1.373 -0.429) 2.423 15.797 ( 0.904 -3.376 -1.856) 3.958 15.976 ( 3.379 0.640 2.335) 4.157 15.991 ( 3.395 -0.958 2.374) 4.252 17.300 ( 1.029 -0.862 8.273) 8.381 17.353 ( 0.895 -6.377 8.317) 10.518 17.470 ( 0.991 2.183 -1.823) 3.012 17.522 ( 2.473 -2.997 -2.510) 4.626 17.604 ( -3.381 -1.331 6.393) 7.354 17.634 ( -2.945 -4.624 6.218) 8.290 17.785 ( -1.049 7.846 -10.590) 13.221 17.916 ( 0.765 -5.510 -11.015) 12.340 ======================= Grid point 117 (51/80) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 7.029 0.000 26.562) 27.476 1.177 ( -11.357 0.000 29.573) 31.679 1.383 ( 6.638 0.000 26.320) 27.144 1.456 ( -4.759 0.000 -12.220) 13.114 1.645 ( -9.307 0.000 -6.261) 11.217 1.678 ( 10.406 0.000 -22.604) 24.884 1.936 ( 4.280 0.000 -0.645) 4.328 1.952 ( -4.098 0.000 0.697) 4.157 2.034 ( 2.618 0.000 6.069) 6.610 2.138 ( -1.084 0.000 3.910) 4.058 2.174 ( -8.152 0.000 -3.032) 8.698 2.199 ( 0.312 0.000 -10.704) 10.708 2.285 ( -2.748 0.000 2.173) 3.503 2.414 ( 3.827 0.000 -7.256) 8.203 2.492 ( 0.266 0.000 5.734) 5.740 2.570 ( 5.006 0.000 0.773) 5.065 2.713 ( 1.243 0.000 -6.287) 6.409 2.761 ( -0.143 0.000 -6.299) 6.300 3.075 ( 4.085 0.000 4.455) 6.044 3.108 ( -0.486 0.000 0.760) 0.902 3.166 ( 2.370 0.000 2.311) 3.311 3.211 ( -0.659 0.000 -1.924) 2.034 3.297 ( -4.745 0.000 5.903) 7.574 3.425 ( -1.324 0.000 -9.161) 9.256 3.530 ( 3.812 0.000 -1.198) 3.996 3.549 ( -4.846 0.000 -3.699) 6.097 3.594 ( 0.854 0.000 -0.264) 0.894 3.654 ( 2.017 0.000 -4.932) 5.329 3.871 ( -1.038 0.000 2.139) 2.378 3.898 ( -0.145 0.000 -1.186) 1.195 4.022 ( 4.306 0.000 6.702) 7.966 4.061 ( -2.138 0.000 2.362) 3.185 4.061 ( -1.548 0.000 1.142) 1.923 4.144 ( -0.637 0.000 -4.276) 4.323 4.207 ( 0.050 0.000 2.913) 2.913 4.229 ( -2.179 0.000 -1.459) 2.622 4.336 ( 1.681 0.000 0.043) 1.682 4.390 ( -3.665 0.000 -3.646) 5.169 4.468 ( -1.717 0.000 0.117) 1.721 4.490 ( 4.578 0.000 -2.476) 5.205 4.707 ( 1.758 0.000 -1.408) 2.253 4.718 ( -4.301 0.000 -2.465) 4.957 4.944 ( -1.155 0.000 4.403) 4.552 4.996 ( 3.357 0.000 -0.617) 3.413 5.075 ( 5.696 0.000 2.728) 6.315 5.100 ( -3.336 0.000 0.843) 3.441 5.158 ( -2.778 0.000 -0.937) 2.932 5.173 ( -0.767 0.000 -1.940) 2.086 5.396 ( 6.007 0.000 3.825) 7.122 5.409 ( -2.276 0.000 2.414) 3.317 5.927 ( -2.976 0.000 2.576) 3.936 5.934 ( 2.295 0.000 0.386) 2.327 6.066 ( -4.417 0.000 5.157) 6.790 6.154 ( 1.716 0.000 -2.297) 2.867 6.358 ( -4.321 0.000 1.997) 4.761 6.486 ( 16.774 0.000 -6.934) 18.151 6.675 ( 7.075 0.000 2.244) 7.422 6.713 ( -14.046 0.000 -3.688) 14.522 6.772 ( 1.755 0.000 0.989) 2.014 6.802 ( -3.865 0.000 -1.919) 4.315 6.895 ( 6.571 0.000 1.693) 6.786 6.899 ( -7.863 0.000 0.972) 7.923 6.951 ( -0.089 0.000 2.648) 2.649 7.046 ( 3.535 0.000 -6.231) 7.164 7.169 ( -0.453 0.000 3.905) 3.931 7.180 ( 4.953 0.000 1.876) 5.296 7.253 ( -5.591 0.000 -0.215) 5.595 7.272 ( -0.316 0.000 -3.403) 3.417 7.322 ( 2.197 0.000 2.292) 3.175 7.391 ( -5.472 0.000 -4.483) 7.074 7.552 ( 5.742 0.000 1.434) 5.919 7.616 ( -3.215 0.000 -5.022) 5.963 7.845 ( 0.278 0.000 5.612) 5.619 7.943 ( 0.658 0.000 -4.816) 4.861 8.017 ( -4.904 0.000 4.696) 6.789 8.077 ( 4.112 0.000 -2.063) 4.601 8.351 ( 3.335 0.000 4.469) 5.576 8.424 ( -5.286 0.000 -3.476) 6.327 8.455 ( 1.901 0.000 8.226) 8.442 8.601 ( -2.077 0.000 -7.324) 7.613 10.064 ( -0.022 0.000 0.150) 0.151 10.067 ( 0.032 0.000 -0.155) 0.159 11.714 ( 7.377 0.000 6.135) 9.595 11.850 ( -6.075 0.000 -8.588) 10.520 13.306 ( 1.090 0.000 4.042) 4.186 13.379 ( -0.650 0.000 -3.358) 3.420 13.408 ( 0.051 0.000 0.400) 0.403 13.416 ( 0.228 0.000 -0.504) 0.554 13.479 ( -1.118 0.000 0.710) 1.324 13.504 ( 0.264 0.000 -1.571) 1.593 14.299 ( 3.817 0.000 29.793) 30.037 14.879 ( -0.815 0.000 -32.896) 32.906 15.649 ( 0.592 0.000 1.757) 1.854 15.672 ( 0.002 0.000 -0.554) 0.554 15.678 ( 0.969 0.000 1.251) 1.582 15.682 ( -0.297 0.000 0.664) 0.727 15.800 ( 4.188 0.000 0.700) 4.247 15.805 ( -6.153 0.000 -0.196) 6.156 15.811 ( 3.098 0.000 -0.664) 3.168 15.839 ( -8.262 0.000 -3.348) 8.914 17.289 ( 0.951 0.000 11.557) 11.596 17.400 ( -0.633 0.000 -3.399) 3.457 17.581 ( 6.957 0.000 13.443) 15.137 17.765 ( -2.036 0.000 2.047) 2.888 17.838 ( -0.491 0.000 -2.813) 2.856 17.896 ( -3.319 0.000 -14.942) 15.306 18.363 ( 3.883 0.000 2.745) 4.755 18.409 ( -1.944 0.000 -2.137) 2.889 ======================= Grid point 118 (52/80) ======================= q-point: ( 0.17 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -8.427 0.000 -25.755) 27.098 1.291 ( -7.012 0.000 26.754) 27.658 1.340 ( 1.068 0.000 22.662) 22.687 1.504 ( 0.973 0.000 -6.137) 6.214 1.608 ( 6.984 0.000 -11.198) 13.197 1.780 ( 10.522 0.000 -3.559) 11.108 1.818 ( -7.493 0.000 2.883) 8.028 2.018 ( 3.080 0.000 -4.579) 5.519 2.062 ( -6.771 0.000 3.707) 7.720 2.080 ( -0.368 0.000 0.877) 0.951 2.222 ( 3.018 0.000 -1.602) 3.417 2.224 ( 9.013 0.000 2.871) 9.459 2.350 ( 7.976 0.000 7.910) 11.233 2.406 ( 2.763 0.000 -2.485) 3.716 2.529 ( -0.615 0.000 0.852) 1.050 2.606 ( 4.990 0.000 -11.733) 12.750 2.696 ( -0.778 0.000 -3.198) 3.291 2.720 ( 0.320 0.000 2.595) 2.614 3.052 ( -6.359 0.000 -8.187) 10.366 3.100 ( -4.548 0.000 -0.576) 4.584 3.120 ( -1.344 0.000 0.728) 1.528 3.200 ( 3.008 0.000 0.500) 3.049 3.367 ( 1.412 0.000 8.405) 8.523 3.369 ( -5.731 0.000 -3.287) 6.607 3.455 ( 1.530 0.000 1.990) 2.510 3.560 ( -1.453 0.000 4.412) 4.645 3.594 ( -1.749 0.000 0.467) 1.810 3.624 ( 2.863 0.000 -5.237) 5.969 3.859 ( -2.501 0.000 1.286) 2.812 3.906 ( 0.994 0.000 -1.317) 1.650 3.992 ( -6.020 0.000 0.476) 6.039 3.997 ( -2.651 0.000 -1.117) 2.877 4.129 ( 2.472 0.000 -3.630) 4.392 4.165 ( -3.318 0.000 0.722) 3.396 4.191 ( 3.132 0.000 6.086) 6.845 4.241 ( 2.102 0.000 1.659) 2.678 4.292 ( -2.165 0.000 -0.924) 2.354 4.395 ( 0.842 0.000 2.944) 3.062 4.484 ( 3.594 0.000 -1.602) 3.935 4.564 ( 4.352 0.000 -1.732) 4.684 4.647 ( -2.255 0.000 2.081) 3.069 4.762 ( 3.639 0.000 3.217) 4.857 4.887 ( -6.820 0.000 0.154) 6.822 4.976 ( -1.933 0.000 -3.202) 3.740 4.990 ( -6.585 0.000 -1.873) 6.846 5.125 ( -1.921 0.000 -2.585) 3.221 5.166 ( 1.057 0.000 3.470) 3.628 5.204 ( 4.253 0.000 2.356) 4.862 5.348 ( -2.902 0.000 -5.085) 5.855 5.480 ( 2.847 0.000 -2.526) 3.806 5.930 ( -0.941 0.000 3.523) 3.646 5.986 ( -6.546 0.000 -5.434) 8.507 6.065 ( 1.122 0.000 5.759) 5.867 6.150 ( -7.520 0.000 1.006) 7.587 6.226 ( 1.545 0.000 -8.021) 8.169 6.295 ( -14.065 0.000 3.426) 14.476 6.641 ( 6.428 0.000 -4.136) 7.644 6.722 ( -3.722 0.000 -0.714) 3.790 6.770 ( -0.601 0.000 7.143) 7.168 6.794 ( -0.624 0.000 2.460) 2.538 6.832 ( -0.519 0.000 -0.187) 0.552 6.942 ( -0.883 0.000 -4.926) 5.004 7.033 ( 2.772 0.000 -6.050) 6.655 7.048 ( 2.815 0.000 2.584) 3.821 7.165 ( 1.065 0.000 -1.035) 1.486 7.189 ( -0.697 0.000 -1.162) 1.355 7.289 ( 2.145 0.000 1.731) 2.756 7.293 ( 1.418 0.000 3.731) 3.992 7.393 ( 7.089 0.000 0.966) 7.155 7.455 ( 5.604 0.000 4.585) 7.241 7.508 ( -1.878 0.000 -5.334) 5.654 7.668 ( 5.516 0.000 1.146) 5.633 7.885 ( -1.882 0.000 3.837) 4.274 7.892 ( -0.010 0.000 -6.012) 6.012 7.954 ( -5.565 0.000 4.506) 7.161 8.106 ( 1.325 0.000 -2.703) 3.010 8.289 ( -5.052 0.000 -0.648) 5.094 8.400 ( -2.836 0.000 2.335) 3.673 8.457 ( -5.393 0.000 -7.233) 9.022 8.539 ( -1.468 0.000 7.613) 7.754 10.067 ( 0.154 0.000 0.141) 0.208 10.068 ( 0.208 0.000 -0.147) 0.254 11.799 ( 7.433 0.000 -2.947) 7.996 12.011 ( 15.932 0.000 2.903) 16.195 13.356 ( 1.972 0.000 -4.015) 4.473 13.387 ( 2.182 0.000 2.246) 3.132 13.408 ( -0.235 0.000 0.186) 0.300 13.412 ( 0.026 0.000 -0.644) 0.645 13.512 ( 2.366 0.000 0.864) 2.519 13.584 ( 12.095 0.000 0.505) 12.106 14.437 ( -11.062 0.000 -32.363) 34.202 14.558 ( -6.729 0.000 27.342) 28.158 15.664 ( 0.351 0.000 -1.591) 1.629 15.674 ( 0.614 0.000 0.400) 0.733 15.678 ( -0.104 0.000 -0.567) 0.576 15.692 ( 0.253 0.000 -0.461) 0.526 15.738 ( -2.040 0.000 0.733) 2.168 15.760 ( -1.000 0.000 2.470) 2.665 15.905 ( 5.996 0.000 2.785) 6.611 15.946 ( 6.986 0.000 4.531) 8.327 17.378 ( 2.427 0.000 -4.604) 5.204 17.395 ( 2.900 0.000 4.812) 5.618 17.581 ( -6.167 0.000 -13.341) 14.698 17.766 ( -4.227 0.000 -0.379) 4.244 17.826 ( -0.046 0.000 -0.967) 0.968 17.860 ( 6.914 0.000 12.549) 14.327 18.287 ( -6.597 0.000 -3.623) 7.527 18.351 ( -6.963 0.000 1.374) 7.097 ======================= Grid point 119 (53/80) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 18.489 0.000 -5.844) 19.391 1.393 ( -8.432 0.000 21.164) 22.782 1.520 ( -6.269 0.000 16.028) 17.211 1.527 ( 6.398 0.000 -4.610) 7.885 1.607 ( 6.227 0.000 -9.604) 11.446 1.784 ( -2.403 0.000 8.277) 8.619 1.840 ( 2.439 0.000 -0.925) 2.608 1.981 ( -6.076 0.000 6.459) 8.868 1.995 ( 5.795 0.000 -6.675) 8.839 2.156 ( 3.858 0.000 -5.635) 6.829 2.223 ( 2.536 0.000 -4.230) 4.932 2.310 ( 1.183 0.000 0.327) 1.227 2.466 ( -2.687 0.000 -4.755) 5.462 2.489 ( 1.945 0.000 -6.993) 7.259 2.557 ( 3.794 0.000 3.790) 5.363 2.589 ( 7.518 0.000 -5.846) 9.523 2.671 ( -5.438 0.000 -1.297) 5.591 2.689 ( -4.492 0.000 -3.251) 5.545 2.947 ( 1.171 0.000 2.256) 2.542 3.015 ( -0.827 0.000 1.945) 2.114 3.065 ( -2.963 0.000 -3.803) 4.821 3.266 ( 4.405 0.000 -3.285) 5.495 3.280 ( -0.631 0.000 2.518) 2.596 3.382 ( -4.247 0.000 4.070) 5.882 3.518 ( -8.320 0.000 2.561) 8.705 3.583 ( 6.670 0.000 4.148) 7.854 3.624 ( 1.773 0.000 6.642) 6.874 3.655 ( 3.945 0.000 -2.526) 4.685 3.805 ( -8.220 0.000 -3.234) 8.833 3.814 ( -2.484 0.000 -1.587) 2.948 3.919 ( -1.763 0.000 -2.031) 2.689 3.954 ( -2.306 0.000 0.672) 2.402 4.148 ( -1.361 0.000 -1.342) 1.911 4.171 ( 1.269 0.000 -0.033) 1.270 4.186 ( 5.330 0.000 -0.327) 5.340 4.265 ( -0.060 0.000 -2.594) 2.594 4.377 ( -1.174 0.000 11.668) 11.727 4.443 ( 1.978 0.000 3.851) 4.329 4.506 ( -4.165 0.000 -2.041) 4.639 4.555 ( 5.741 0.000 -2.578) 6.293 4.749 ( -1.217 0.000 4.453) 4.616 4.771 ( 1.389 0.000 1.605) 2.122 4.828 ( -0.817 0.000 -0.595) 1.010 4.884 ( -3.631 0.000 1.032) 3.775 4.924 ( -0.702 0.000 -0.825) 1.083 5.063 ( -1.390 0.000 0.108) 1.394 5.220 ( 0.442 0.000 4.382) 4.404 5.228 ( -1.083 0.000 -8.819) 8.886 5.278 ( 2.533 0.000 -1.504) 2.946 5.455 ( -0.316 0.000 -7.943) 7.949 5.595 ( -18.436 0.000 -6.840) 19.664 5.752 ( -14.286 0.000 -6.382) 15.647 6.100 ( 5.266 0.000 -1.334) 5.433 6.141 ( 0.447 0.000 4.179) 4.203 6.314 ( 8.094 0.000 -0.541) 8.112 6.366 ( 4.204 0.000 10.331) 11.153 6.637 ( -3.232 0.000 -1.179) 3.440 6.739 ( 5.677 0.000 0.050) 5.677 6.789 ( -4.952 0.000 7.905) 9.328 6.804 ( -2.090 0.000 0.521) 2.154 6.845 ( 2.937 0.000 -2.193) 3.665 6.871 ( 0.643 0.000 -4.279) 4.327 7.038 ( 2.742 0.000 -3.876) 4.748 7.096 ( 0.999 0.000 2.093) 2.319 7.162 ( -1.409 0.000 -3.138) 3.440 7.172 ( 0.719 0.000 -2.642) 2.738 7.341 ( 0.828 0.000 3.664) 3.756 7.349 ( 2.932 0.000 1.239) 3.183 7.438 ( 1.689 0.000 -0.319) 1.718 7.535 ( 0.417 0.000 1.554) 1.609 7.574 ( 4.398 0.000 2.157) 4.898 7.698 ( -4.112 0.000 -1.301) 4.313 7.850 ( 2.136 0.000 -5.022) 5.457 7.885 ( 0.997 0.000 3.349) 3.494 7.937 ( -2.438 0.000 4.422) 5.049 8.078 ( -0.753 0.000 -3.636) 3.714 8.231 ( -3.340 0.000 -1.920) 3.853 8.313 ( -4.342 0.000 -3.349) 5.484 8.332 ( 0.278 0.000 -1.206) 1.238 8.535 ( -5.563 0.000 4.491) 7.149 10.071 ( 0.283 0.000 -0.112) 0.305 10.071 ( 0.137 0.000 0.143) 0.197 12.008 ( 9.858 0.000 8.892) 13.276 12.272 ( 9.743 0.000 2.508) 10.061 13.361 ( 2.424 0.000 -3.467) 4.230 13.405 ( 0.033 0.000 -0.629) 0.630 13.406 ( -0.018 0.000 0.111) 0.113 13.415 ( 0.254 0.000 0.308) 0.399 13.537 ( 0.653 0.000 -2.431) 2.517 13.936 ( -9.072 0.000 -21.891) 23.696 13.950 ( 22.664 0.000 -2.668) 22.820 14.565 ( -17.446 0.000 19.579) 26.224 15.659 ( 0.816 0.000 -1.498) 1.706 15.674 ( 0.250 0.000 -0.633) 0.681 15.679 ( 0.018 0.000 -0.434) 0.435 15.685 ( -0.119 0.000 -0.895) 0.903 15.746 ( 0.718 0.000 2.416) 2.521 15.795 ( 1.395 0.000 3.814) 4.061 15.982 ( -0.670 0.000 -0.721) 0.984 16.051 ( -0.178 0.000 1.034) 1.049 17.389 ( 7.259 0.000 -8.398) 11.101 17.476 ( 2.605 0.000 -1.006) 2.792 17.490 ( 3.464 0.000 2.447) 4.241 17.657 ( -6.373 0.000 -1.572) 6.564 17.821 ( 1.041 0.000 -0.857) 1.349 18.057 ( 0.984 0.000 8.447) 8.504 18.175 ( -10.919 0.000 0.768) 10.945 18.183 ( -1.548 0.000 -0.566) 1.649 ======================= Grid point 120 (54/80) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -12.627 0.000 19.144) 22.933 1.374 ( -19.485 0.000 12.560) 23.182 1.483 ( 17.582 0.000 2.886) 17.817 1.665 ( 12.212 0.000 6.875) 14.014 1.686 ( 10.105 0.000 -12.630) 16.175 1.830 ( -12.706 0.000 -8.571) 15.326 1.842 ( -2.909 0.000 10.746) 11.133 2.004 ( -0.421 0.000 8.031) 8.042 2.012 ( -2.521 0.000 -4.163) 4.867 2.052 ( 3.447 0.000 -4.062) 5.328 2.243 ( 2.387 0.000 -5.187) 5.710 2.284 ( -4.583 0.000 -8.925) 10.033 2.410 ( -2.552 0.000 3.712) 4.504 2.413 ( 1.782 0.000 4.189) 4.552 2.512 ( 0.591 0.000 -5.524) 5.555 2.549 ( -1.296 0.000 -9.130) 9.221 2.605 ( 0.323 0.000 0.806) 0.868 2.679 ( 5.273 0.000 -6.878) 8.667 3.023 ( -0.683 0.000 1.803) 1.928 3.060 ( 0.117 0.000 0.326) 0.347 3.071 ( 4.690 0.000 6.125) 7.715 3.199 ( -2.724 0.000 -8.263) 8.700 3.341 ( -8.932 0.000 2.667) 9.321 3.354 ( 6.203 0.000 1.583) 6.402 3.507 ( 6.837 0.000 5.678) 8.888 3.605 ( -4.351 0.000 -4.785) 6.468 3.707 ( 4.076 0.000 -0.723) 4.140 3.719 ( 2.429 0.000 4.086) 4.754 3.735 ( -3.156 0.000 -2.344) 3.931 3.785 ( 4.100 0.000 5.015) 6.477 3.849 ( -0.902 0.000 -3.804) 3.910 3.914 ( -2.484 0.000 -1.270) 2.790 4.097 ( -7.122 0.000 -2.215) 7.459 4.125 ( 2.641 0.000 -2.387) 3.560 4.272 ( 4.828 0.000 6.073) 7.758 4.357 ( -2.089 0.000 -2.316) 3.119 4.370 ( -8.995 0.000 5.414) 10.498 4.425 ( 7.468 0.000 -0.335) 7.475 4.537 ( 0.766 0.000 4.414) 4.480 4.607 ( 2.272 0.000 -3.486) 4.161 4.718 ( 1.201 0.000 0.460) 1.286 4.746 ( -4.361 0.000 -2.150) 4.862 4.887 ( 0.747 0.000 3.565) 3.642 4.918 ( 2.910 0.000 6.974) 7.557 4.924 ( 1.499 0.000 -0.817) 1.707 5.052 ( 0.560 0.000 -5.740) 5.767 5.190 ( 1.672 0.000 0.870) 1.885 5.249 ( -4.220 0.000 -4.299) 6.024 5.277 ( -0.618 0.000 -1.981) 2.075 5.280 ( -2.435 0.000 2.041) 3.177 5.394 ( -3.254 0.000 -1.542) 3.601 5.507 ( -2.548 0.000 -7.899) 8.300 6.152 ( -2.976 0.000 2.621) 3.966 6.180 ( 3.527 0.000 -0.553) 3.571 6.451 ( -5.010 0.000 2.909) 5.793 6.462 ( 7.358 0.000 0.792) 7.400 6.621 ( 2.738 0.000 2.813) 3.925 6.717 ( -2.483 0.000 -6.881) 7.315 6.761 ( -7.745 0.000 9.211) 12.034 6.836 ( 1.673 0.000 3.432) 3.818 6.869 ( -0.637 0.000 0.048) 0.639 6.907 ( 8.665 0.000 -5.345) 10.181 7.045 ( 0.523 0.000 -1.040) 1.164 7.084 ( -1.629 0.000 -3.673) 4.018 7.110 ( -1.909 0.000 1.652) 2.525 7.165 ( 1.751 0.000 -3.608) 4.011 7.365 ( -2.941 0.000 3.858) 4.851 7.420 ( 3.621 0.000 -1.586) 3.953 7.504 ( 3.800 0.000 2.274) 4.428 7.519 ( -3.800 0.000 0.622) 3.851 7.605 ( 0.241 0.000 -0.515) 0.569 7.608 ( -1.011 0.000 -1.173) 1.549 7.880 ( 3.501 0.000 -1.101) 3.670 7.903 ( -1.237 0.000 -2.276) 2.590 7.948 ( -0.935 0.000 4.696) 4.788 8.028 ( -0.043 0.000 -3.802) 3.802 8.149 ( -3.703 0.000 3.729) 5.255 8.234 ( 0.089 0.000 -4.494) 4.494 8.434 ( -8.084 0.000 1.345) 8.196 8.438 ( 8.345 0.000 1.047) 8.411 10.073 ( -0.139 0.000 0.103) 0.173 10.074 ( 0.152 0.000 -0.084) 0.174 12.239 ( 3.341 0.000 11.217) 11.704 12.389 ( 2.696 0.000 -3.391) 4.332 13.378 ( 1.869 0.000 -1.077) 2.157 13.388 ( -1.885 0.000 -1.455) 2.382 13.411 ( 0.588 0.000 0.073) 0.593 13.416 ( -0.196 0.000 -0.125) 0.233 13.509 ( 0.591 0.000 -2.709) 2.773 13.573 ( -6.083 0.000 -11.872) 13.340 14.322 ( -24.518 0.000 10.222) 26.564 14.456 ( 30.196 0.000 -3.943) 30.452 15.663 ( -0.532 0.000 -0.583) 0.789 15.663 ( 0.192 0.000 -0.550) 0.583 15.673 ( 0.095 0.000 -0.137) 0.167 15.676 ( -0.269 0.000 -0.519) 0.584 15.809 ( 2.913 0.000 4.372) 5.253 15.883 ( 3.293 0.000 5.959) 6.808 15.891 ( -4.348 0.000 -4.334) 6.139 15.978 ( -4.498 0.000 -3.952) 5.987 17.495 ( 6.367 0.000 0.032) 6.367 17.496 ( -10.867 0.000 -0.058) 10.867 17.542 ( 2.649 0.000 0.484) 2.693 17.547 ( -0.296 0.000 0.047) 0.300 17.898 ( -10.476 0.000 -0.717) 10.500 17.900 ( 10.638 0.000 -0.973) 10.683 18.183 ( 0.477 0.000 3.074) 3.111 18.199 ( 1.381 0.000 1.143) 1.792 ======================= Grid point 121 (55/80) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -29.576 0.000 -4.263) 29.882 1.234 ( -18.911 0.000 23.184) 29.919 1.331 ( -23.096 0.000 11.580) 25.836 1.657 ( 2.888 0.000 0.522) 2.935 1.760 ( 10.421 0.000 -17.463) 20.336 1.831 ( -3.283 0.000 7.685) 8.357 1.936 ( -0.905 0.000 -7.374) 7.430 1.967 ( -3.991 0.000 -0.504) 4.023 2.053 ( 6.971 0.000 4.308) 8.195 2.068 ( 0.194 0.000 -0.759) 0.783 2.169 ( -0.708 0.000 1.725) 1.865 2.303 ( 3.895 0.000 4.257) 5.770 2.383 ( -1.159 0.000 -2.298) 2.574 2.426 ( -0.824 0.000 -2.035) 2.195 2.524 ( -4.311 0.000 1.025) 4.431 2.610 ( 2.906 0.000 -1.348) 3.203 2.657 ( 8.068 0.000 -0.819) 8.110 2.689 ( 9.205 0.000 -5.613) 10.782 3.021 ( -2.056 0.000 2.112) 2.947 3.024 ( -1.650 0.000 -1.890) 2.509 3.080 ( -1.481 0.000 -6.958) 7.114 3.183 ( 2.320 0.000 3.860) 4.504 3.259 ( -3.178 0.000 5.005) 5.929 3.465 ( 4.727 0.000 -2.376) 5.290 3.581 ( 6.221 0.000 -4.178) 7.493 3.633 ( -2.142 0.000 -3.716) 4.289 3.659 ( 1.157 0.000 0.044) 1.158 3.729 ( 0.341 0.000 -3.923) 3.938 3.790 ( 0.636 0.000 0.354) 0.728 3.793 ( 3.352 0.000 -1.167) 3.550 3.885 ( 5.295 0.000 -1.033) 5.395 3.936 ( 2.288 0.000 3.287) 4.005 4.022 ( -3.158 0.000 7.111) 7.780 4.177 ( -4.855 0.000 1.201) 5.001 4.220 ( -1.073 0.000 2.009) 2.278 4.254 ( -2.690 0.000 -4.174) 4.966 4.435 ( 5.874 0.000 4.417) 7.349 4.499 ( -3.137 0.000 1.781) 3.607 4.534 ( -4.185 0.000 -4.690) 6.286 4.608 ( 6.632 0.000 -8.999) 11.178 4.729 ( 3.222 0.000 1.097) 3.403 4.758 ( -0.271 0.000 4.282) 4.290 4.908 ( -1.204 0.000 -4.400) 4.562 4.922 ( 1.130 0.000 -0.336) 1.179 4.948 ( -2.614 0.000 -8.840) 9.218 4.996 ( 2.261 0.000 8.563) 8.856 5.151 ( -4.255 0.000 -2.507) 4.939 5.259 ( -0.980 0.000 -0.016) 0.980 5.271 ( -0.538 0.000 -0.761) 0.932 5.281 ( 2.598 0.000 9.084) 9.448 5.518 ( 9.762 0.000 17.266) 19.835 5.547 ( 11.343 0.000 -1.029) 11.390 6.088 ( -5.716 0.000 0.724) 5.762 6.203 ( 0.332 0.000 -1.988) 2.015 6.312 ( -9.943 0.000 0.243) 9.946 6.526 ( -1.485 0.000 -6.732) 6.894 6.640 ( 2.561 0.000 -1.790) 3.124 6.683 ( -8.085 0.000 5.648) 9.862 6.719 ( 3.509 0.000 3.766) 5.147 6.853 ( 0.493 0.000 -1.728) 1.797 6.863 ( 0.321 0.000 -0.762) 0.827 6.983 ( 4.307 0.000 -8.941) 9.924 7.015 ( -4.147 0.000 -1.513) 4.415 7.076 ( 2.218 0.000 5.489) 5.920 7.103 ( -1.017 0.000 4.155) 4.278 7.152 ( 0.366 0.000 -3.950) 3.967 7.330 ( -3.069 0.000 2.188) 3.769 7.403 ( -2.389 0.000 -2.950) 3.796 7.444 ( -3.238 0.000 0.031) 3.238 7.565 ( 1.759 0.000 -0.967) 2.008 7.620 ( 0.842 0.000 -1.694) 1.892 7.666 ( 4.682 0.000 1.950) 5.072 7.812 ( -4.523 0.000 -2.232) 5.044 7.925 ( 1.969 0.000 -1.066) 2.239 7.992 ( -0.121 0.000 5.401) 5.403 8.013 ( 2.345 0.000 -4.046) 4.677 8.202 ( 3.028 0.000 8.858) 9.361 8.223 ( 1.510 0.000 -1.502) 2.130 8.314 ( -4.609 0.000 1.092) 4.736 8.588 ( 7.329 0.000 -1.204) 7.427 10.069 ( -0.309 0.000 0.096) 0.324 10.074 ( -0.103 0.000 -0.124) 0.161 12.255 ( -7.843 0.000 -16.510) 18.278 12.288 ( -5.850 0.000 2.349) 6.304 13.309 ( -3.756 0.000 1.037) 3.896 13.394 ( 0.125 0.000 0.452) 0.469 13.413 ( 0.213 0.000 -0.469) 0.515 13.419 ( -0.126 0.000 -0.084) 0.151 13.509 ( 1.195 0.000 0.404) 1.261 13.596 ( 6.671 0.000 10.016) 12.034 13.937 ( -23.074 0.000 2.403) 23.199 14.879 ( 24.778 0.000 -14.125) 28.521 15.638 ( -1.409 0.000 0.436) 1.475 15.663 ( -0.912 0.000 0.153) 0.925 15.671 ( 0.181 0.000 0.439) 0.475 15.674 ( 0.032 0.000 0.073) 0.080 15.798 ( -1.731 0.000 -3.054) 3.511 15.867 ( -2.958 0.000 -3.738) 4.767 15.931 ( 4.459 0.000 5.096) 6.772 16.018 ( 4.414 0.000 5.310) 6.905 17.237 ( -18.292 0.000 6.055) 19.268 17.490 ( -3.595 0.000 -1.579) 3.927 17.519 ( -2.313 0.000 -0.646) 2.402 17.621 ( 4.828 0.000 1.797) 5.152 17.823 ( 0.934 0.000 -0.597) 1.108 18.136 ( 11.140 0.000 -0.542) 11.153 18.179 ( -1.569 0.000 -0.070) 1.571 18.216 ( 2.940 0.000 -2.717) 4.003 ======================= Grid point 122 (56/80) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -3.916 0.000 21.480) 21.834 1.153 ( -16.860 0.000 28.104) 32.773 1.208 ( -12.920 0.000 25.028) 28.166 1.606 ( -5.715 0.000 -1.893) 6.020 1.732 ( 7.172 0.000 -19.642) 20.910 1.833 ( -5.307 0.000 -3.982) 6.635 1.893 ( 3.403 0.000 -5.544) 6.505 1.893 ( 0.613 0.000 6.424) 6.454 2.055 ( -4.641 0.000 1.202) 4.795 2.093 ( 1.486 0.000 2.625) 3.017 2.285 ( 8.192 0.000 -4.334) 9.268 2.312 ( -1.706 0.000 -7.065) 7.268 2.361 ( -4.220 0.000 0.523) 4.253 2.421 ( -3.265 0.000 2.517) 4.122 2.437 ( -2.539 0.000 5.448) 6.010 2.518 ( -3.015 0.000 -2.308) 3.797 2.766 ( 2.643 0.000 -8.748) 9.139 2.782 ( 4.353 0.000 -1.907) 4.753 2.967 ( 1.670 0.000 -0.862) 1.879 3.064 ( 3.442 0.000 3.153) 4.668 3.102 ( 2.857 0.000 1.946) 3.457 3.217 ( 0.204 0.000 -0.616) 0.649 3.289 ( -0.270 0.000 6.340) 6.345 3.515 ( 3.323 0.000 -8.850) 9.453 3.534 ( -1.517 0.000 -6.503) 6.678 3.603 ( 3.469 0.000 -0.910) 3.586 3.612 ( -1.222 0.000 -3.266) 3.487 3.697 ( -2.516 0.000 -7.839) 8.233 3.848 ( 0.930 0.000 4.105) 4.209 3.860 ( 4.408 0.000 1.482) 4.651 3.960 ( -0.679 0.000 1.151) 1.337 3.998 ( 5.745 0.000 0.954) 5.824 4.066 ( -3.529 0.000 3.510) 4.977 4.108 ( 2.439 0.000 8.295) 8.646 4.197 ( -0.247 0.000 -2.164) 2.178 4.279 ( -0.205 0.000 -1.562) 1.575 4.438 ( -4.326 0.000 -4.175) 6.012 4.445 ( -0.827 0.000 -2.664) 2.789 4.481 ( -2.326 0.000 -8.566) 8.876 4.520 ( -1.238 0.000 2.897) 3.150 4.743 ( -2.906 0.000 -7.704) 8.234 4.813 ( -0.965 0.000 0.826) 1.270 4.870 ( 8.171 0.000 1.498) 8.307 4.915 ( -1.741 0.000 0.094) 1.744 4.959 ( 4.335 0.000 1.074) 4.466 5.092 ( 1.574 0.000 1.294) 2.038 5.187 ( 3.768 0.000 10.534) 11.187 5.219 ( -2.029 0.000 -1.686) 2.638 5.246 ( -0.240 0.000 -0.627) 0.671 5.387 ( -0.381 0.000 7.324) 7.334 5.834 ( 11.224 0.000 8.895) 14.321 5.951 ( 3.469 0.000 2.064) 4.037 6.036 ( 13.380 0.000 12.188) 18.099 6.159 ( -5.108 0.000 2.287) 5.596 6.163 ( -0.817 0.000 -3.640) 3.731 6.389 ( -1.558 0.000 -7.330) 7.494 6.603 ( -2.602 0.000 1.401) 2.956 6.714 ( 3.798 0.000 0.204) 3.803 6.821 ( 3.412 0.000 2.646) 4.318 6.838 ( -1.346 0.000 -1.339) 1.898 6.854 ( 1.596 0.000 -2.596) 3.048 6.934 ( 0.595 0.000 -7.141) 7.166 6.945 ( -3.527 0.000 3.346) 4.861 7.098 ( -2.435 0.000 -3.203) 4.024 7.135 ( -0.357 0.000 4.336) 4.350 7.149 ( 0.423 0.000 2.069) 2.112 7.303 ( -1.826 0.000 1.701) 2.495 7.325 ( -2.586 0.000 -2.469) 3.575 7.448 ( 3.706 0.000 0.358) 3.723 7.487 ( -10.163 0.000 -8.097) 12.994 7.538 ( -3.329 0.000 -3.576) 4.886 7.704 ( -1.837 0.000 -1.991) 2.708 7.787 ( -0.197 0.000 5.019) 5.023 7.938 ( 2.864 0.000 -2.194) 3.608 8.028 ( -2.013 0.000 5.547) 5.901 8.033 ( 3.741 0.000 -4.199) 5.624 8.255 ( 2.326 0.000 2.647) 3.524 8.339 ( 2.733 0.000 5.237) 5.907 8.399 ( 8.680 0.000 3.709) 9.439 8.654 ( 2.835 0.000 -4.723) 5.509 10.065 ( -0.227 0.000 0.130) 0.261 10.070 ( -0.160 0.000 -0.155) 0.223 11.841 ( -18.373 0.000 -9.699) 20.776 12.100 ( -11.600 0.000 -5.499) 12.838 13.285 ( -1.959 0.000 3.385) 3.911 13.399 ( 0.084 0.000 0.620) 0.626 13.411 ( -0.467 0.000 -0.544) 0.718 13.414 ( 0.404 0.000 -0.469) 0.619 13.529 ( -0.229 0.000 -0.563) 0.608 13.604 ( -12.881 0.000 -1.209) 12.938 13.913 ( 8.614 0.000 23.795) 25.306 15.041 ( 13.569 0.000 -24.713) 28.193 15.631 ( -0.452 0.000 1.670) 1.730 15.655 ( -0.452 0.000 1.340) 1.414 15.674 ( -0.163 0.000 0.266) 0.312 15.678 ( -0.041 0.000 0.665) 0.666 15.767 ( 0.758 0.000 -1.932) 2.075 15.808 ( -0.353 0.000 -2.506) 2.531 15.958 ( -5.035 0.000 -2.798) 5.760 16.036 ( -5.100 0.000 -4.724) 6.952 17.134 ( -4.829 0.000 20.290) 20.856 17.442 ( 0.011 0.000 1.469) 1.469 17.458 ( -2.371 0.000 -2.470) 3.424 17.717 ( 2.905 0.000 3.118) 4.261 17.845 ( 1.892 0.000 -1.763) 2.586 18.093 ( -3.059 0.000 -10.235) 10.683 18.211 ( 4.868 0.000 4.614) 6.707 18.369 ( 7.702 0.000 -0.595) 7.725 ======================= Grid point 123 (57/80) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -3.359 -6.366 25.414) 26.413 1.245 ( 14.837 6.416 26.764) 31.267 1.332 ( 3.349 -8.169 -18.042) 20.087 1.630 ( -5.930 13.137 8.707) 16.839 1.703 ( -7.882 8.456 -4.611) 12.446 1.782 ( 0.598 5.354 -9.310) 10.756 1.897 ( -1.593 -0.492 4.616) 4.908 1.976 ( -0.051 2.594 -0.991) 2.777 2.108 ( -0.932 5.541 3.784) 6.774 2.144 ( 1.865 4.465 3.747) 6.120 2.251 ( -1.016 4.122 -6.977) 8.167 2.267 ( 1.970 4.877 -8.804) 10.256 2.352 ( -2.964 7.609 3.863) 9.034 2.443 ( -0.727 2.490 -5.905) 6.449 2.541 ( -0.469 5.081 5.829) 7.747 2.610 ( 3.140 4.057 2.373) 5.652 2.742 ( 1.905 3.468 -3.979) 5.611 2.813 ( 0.383 4.720 -7.260) 8.668 3.001 ( 2.999 -5.851 1.724) 6.797 3.029 ( -1.943 -4.559 -1.521) 5.184 3.166 ( 1.816 -2.308 7.549) 8.100 3.239 ( -1.457 -0.588 -0.278) 1.596 3.314 ( -0.387 2.639 1.549) 3.084 3.391 ( 0.589 -3.224 -7.190) 7.902 3.525 ( 1.877 0.706 -0.402) 2.045 3.577 ( -3.240 1.557 -4.701) 5.918 3.581 ( -0.908 0.487 1.454) 1.782 3.674 ( 1.230 1.461 -5.620) 5.935 3.847 ( -2.040 -2.305 2.923) 4.245 3.900 ( 0.868 -1.181 -1.552) 2.135 3.957 ( 4.290 -4.124 4.091) 7.221 4.000 ( -3.085 -4.252 -0.015) 5.253 4.101 ( 0.544 1.245 1.814) 2.266 4.141 ( -2.675 -0.009 -3.102) 4.096 4.213 ( 0.002 0.367 1.980) 2.014 4.247 ( -1.274 1.425 -2.482) 3.133 4.330 ( 2.304 -0.776 2.101) 3.213 4.392 ( -3.077 0.054 -3.123) 4.384 4.513 ( -2.342 3.570 0.434) 4.292 4.531 ( 4.170 3.278 -1.764) 5.590 4.704 ( -1.072 0.528 0.930) 1.514 4.752 ( -1.428 2.439 -4.401) 5.230 4.952 ( 0.523 -0.115 3.554) 3.594 4.987 ( 0.870 -2.778 0.250) 2.922 5.027 ( 4.999 -3.512 2.372) 6.553 5.062 ( -3.028 -2.687 -0.424) 4.071 5.132 ( -2.286 -0.586 1.753) 2.939 5.177 ( 0.374 -0.155 -3.165) 3.191 5.389 ( 5.327 -0.805 3.124) 6.228 5.409 ( -2.207 -0.527 0.615) 2.351 5.883 ( -4.149 -7.663 11.565) 14.480 6.005 ( 1.924 4.441 -2.059) 5.259 6.066 ( -2.080 -2.053 4.166) 5.089 6.119 ( -0.467 -5.891 0.873) 5.974 6.291 ( -0.981 -3.402 -4.612) 5.814 6.304 ( 8.981 -12.034 -4.627) 15.713 6.628 ( -2.486 -3.846 1.423) 4.795 6.650 ( 1.337 -3.416 -0.977) 3.796 6.746 ( 2.036 -2.374 1.012) 3.287 6.778 ( -2.102 -2.417 -2.094) 3.827 6.835 ( 0.122 -0.793 3.244) 3.342 6.871 ( 0.253 -1.165 -0.242) 1.216 6.942 ( -2.941 -1.848 0.922) 3.594 7.021 ( 2.755 -3.054 -4.555) 6.137 7.124 ( -0.650 -1.539 1.358) 2.153 7.159 ( -0.264 -2.081 -2.171) 3.019 7.240 ( 0.729 0.939 3.589) 3.781 7.293 ( -1.539 1.757 -1.268) 2.658 7.398 ( 4.881 2.407 0.043) 5.443 7.454 ( -4.783 1.591 -5.138) 7.198 7.584 ( 1.838 4.365 2.536) 5.373 7.649 ( -1.393 2.985 -4.131) 5.283 7.865 ( 0.618 2.523 5.303) 5.905 7.948 ( 0.191 0.749 -3.397) 3.484 8.060 ( -5.489 2.020 4.704) 7.505 8.120 ( 3.579 3.231 -1.908) 5.185 8.299 ( -0.812 -3.022 3.036) 4.360 8.321 ( 0.461 -1.503 0.691) 1.717 8.463 ( 1.205 -1.068 6.909) 7.094 8.587 ( -1.483 -1.894 -6.478) 6.910 10.238 ( 0.100 14.881 3.720) 15.340 10.354 ( -0.425 21.297 -10.134) 23.589 11.677 ( 6.118 -3.741 5.097) 8.797 11.786 ( -5.365 -6.330 -6.678) 10.652 13.334 ( 1.691 1.832 3.231) 4.081 13.386 ( -1.835 0.621 -1.961) 2.756 13.442 ( -0.490 2.271 0.099) 2.326 13.468 ( -0.876 3.484 -2.416) 4.329 13.526 ( -2.223 6.723 3.303) 7.813 13.584 ( 2.410 8.551 -2.783) 9.310 14.314 ( 6.284 1.720 25.562) 26.379 14.794 ( -3.662 -7.909 -25.926) 27.352 15.667 ( 0.036 0.886 1.078) 1.396 15.680 ( -0.046 0.847 0.369) 0.925 15.699 ( 1.811 1.377 0.228) 2.286 15.704 ( 0.041 2.363 0.443) 2.404 15.806 ( 1.174 0.686 0.977) 1.675 15.809 ( 0.334 0.256 0.635) 0.762 15.826 ( -3.394 2.066 -2.320) 4.601 15.861 ( -5.398 1.782 -4.158) 7.043 17.313 ( 1.110 2.360 8.871) 9.247 17.399 ( -0.555 -0.072 -2.667) 2.725 17.573 ( 8.286 -0.666 11.948) 14.555 17.739 ( -2.455 -2.644 1.882) 4.070 17.804 ( -0.131 -3.439 -2.508) 4.259 17.849 ( -4.516 -4.720 -12.997) 14.546 18.260 ( 5.908 -8.869 3.579) 11.242 18.310 ( -3.535 -9.560 -2.003) 10.388 ======================= Grid point 124 (58/80) ======================= q-point: ( 0.17 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -1.321 -3.285 14.160) 14.596 1.156 ( -1.257 -0.511 -13.976) 14.041 1.314 ( 0.011 -7.585 -23.744) 24.926 1.648 ( 0.559 15.663 19.567) 25.070 1.726 ( -1.497 -2.716 2.375) 3.906 1.785 ( 2.796 9.872 0.149) 10.262 1.893 ( -4.370 3.664 1.432) 5.880 1.983 ( 5.107 1.359 3.984) 6.618 2.101 ( -3.439 6.029 -3.523) 7.784 2.162 ( 2.001 3.565 -3.545) 5.411 2.276 ( 3.088 5.420 0.746) 6.283 2.313 ( 6.192 6.820 -1.948) 9.415 2.379 ( 3.390 1.951 3.304) 5.120 2.445 ( 4.289 5.427 4.192) 8.088 2.546 ( -2.050 2.022 0.943) 3.030 2.616 ( 0.192 1.417 -5.630) 5.808 2.754 ( 0.396 4.205 1.850) 4.611 2.789 ( 2.728 7.565 -5.262) 9.610 2.970 ( -2.360 -6.244 -1.917) 6.945 3.037 ( -3.068 -3.314 -0.658) 4.564 3.090 ( -4.906 -4.292 -1.398) 6.667 3.252 ( 0.560 1.687 1.046) 2.062 3.332 ( -1.499 -0.864 -1.559) 2.329 3.388 ( 2.459 0.992 1.613) 3.104 3.483 ( -1.797 0.622 -1.040) 2.167 3.559 ( -1.686 -0.221 3.710) 4.081 3.589 ( -2.355 1.949 3.212) 4.434 3.646 ( 3.442 1.933 -3.079) 5.007 3.829 ( -4.080 -2.485 1.604) 5.039 3.902 ( -3.536 -4.483 -1.509) 5.906 3.917 ( 2.321 -0.392 -1.264) 2.672 4.047 ( 0.700 -1.546 1.868) 2.524 4.086 ( 0.070 -1.018 -2.744) 2.928 4.163 ( -2.571 -1.773 4.769) 5.701 4.194 ( 2.065 1.885 0.993) 2.967 4.253 ( 1.497 0.851 1.133) 2.062 4.297 ( -2.355 0.111 -1.673) 2.891 4.416 ( 1.917 1.120 2.310) 3.204 4.496 ( 0.336 0.990 -1.151) 1.555 4.598 ( 3.896 3.006 -1.356) 5.104 4.688 ( -0.863 3.704 2.665) 4.644 4.749 ( 1.393 -0.951 1.694) 2.391 4.920 ( -5.237 2.249 0.276) 5.706 4.943 ( -3.126 -3.784 -1.845) 5.244 4.980 ( -3.642 -0.125 -2.001) 4.158 5.111 ( 0.245 -2.333 1.640) 2.863 5.154 ( -0.213 -0.393 -1.879) 1.931 5.170 ( 3.746 -2.555 1.927) 4.926 5.331 ( -2.935 -1.348 -3.854) 5.029 5.476 ( 2.882 -0.642 -2.221) 3.694 5.818 ( -11.235 -12.390 3.965) 17.189 5.983 ( -10.420 -8.796 -4.082) 14.234 6.094 ( 0.001 1.119 3.700) 3.865 6.114 ( 3.666 4.395 1.767) 5.990 6.211 ( -0.492 -2.519 -6.356) 6.855 6.244 ( -2.264 -0.984 0.049) 2.470 6.615 ( 0.858 -4.360 2.458) 5.078 6.666 ( -0.671 -1.415 -1.989) 2.531 6.736 ( 2.188 -3.700 -1.695) 4.621 6.776 ( -0.803 -2.041 1.700) 2.775 6.831 ( -2.519 0.223 3.961) 4.700 6.890 ( 1.696 -2.608 -5.978) 6.739 7.011 ( 4.807 -4.908 2.157) 7.201 7.061 ( 2.627 -0.187 -2.338) 3.521 7.121 ( 0.324 -2.509 0.166) 2.535 7.170 ( 2.136 -0.985 1.374) 2.724 7.221 ( -1.094 0.713 0.141) 1.313 7.340 ( -0.338 0.395 -3.334) 3.375 7.363 ( 4.684 -0.397 1.838) 5.047 7.505 ( 3.837 1.203 0.220) 4.027 7.599 ( 1.503 5.741 -0.463) 5.952 7.679 ( 3.487 1.584 1.368) 4.067 7.890 ( -1.411 0.602 -2.970) 3.343 7.913 ( -1.216 2.731 1.812) 3.496 7.994 ( -5.130 3.366 4.420) 7.562 8.154 ( 1.472 2.353 -1.432) 3.123 8.267 ( -2.691 -0.075 1.428) 3.047 8.332 ( -0.910 -1.744 -1.122) 2.264 8.470 ( -4.237 -0.404 -5.321) 6.814 8.532 ( -0.998 -0.764 5.675) 5.812 10.243 ( -2.920 15.706 -1.987) 16.099 10.257 ( -2.512 15.659 2.358) 16.034 11.737 ( 5.575 -6.087 -2.075) 8.511 11.939 ( 14.709 -7.132 2.036) 16.474 13.325 ( -0.317 -0.884 -1.332) 1.630 13.404 ( -0.359 1.085 1.092) 1.581 13.457 ( 0.758 2.603 -0.381) 2.738 13.469 ( -2.802 4.813 1.375) 5.737 13.548 ( 11.060 2.182 2.654) 11.581 13.681 ( 7.584 11.883 -1.767) 14.207 14.374 ( -12.579 -6.051 -27.068) 30.455 14.579 ( -3.567 2.368 22.381) 22.787 15.642 ( -1.093 -0.763 -0.071) 1.335 15.679 ( -1.142 0.424 -1.311) 1.790 15.703 ( 0.063 1.611 0.368) 1.653 15.717 ( 0.308 1.910 -0.362) 1.969 15.756 ( -1.412 1.557 0.687) 2.211 15.782 ( -0.390 1.864 1.183) 2.242 15.911 ( 5.751 0.647 3.121) 6.575 15.949 ( 6.724 0.337 4.525) 8.112 17.383 ( 2.195 0.579 -3.133) 3.869 17.401 ( 2.722 0.504 2.942) 4.040 17.533 ( -7.384 -4.667 -12.136) 14.953 17.743 ( -3.567 -2.382 -0.870) 4.377 17.785 ( -0.442 -4.205 -0.199) 4.232 17.858 ( 8.031 -0.140 10.806) 13.464 18.170 ( -6.916 -10.951 -3.521) 13.422 18.299 ( -3.899 -4.892 0.345) 6.266 ======================= Grid point 125 (59/80) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 16.580 6.155 -5.103) 18.408 1.233 ( -5.881 -6.168 11.442) 14.267 1.286 ( 12.700 -13.163 -14.160) 23.131 1.705 ( -3.290 -6.211 6.971) 9.899 1.769 ( -1.258 8.719 10.642) 13.815 1.809 ( -3.247 11.162 7.454) 13.809 1.877 ( 2.084 10.277 -0.578) 10.502 2.016 ( -1.142 6.427 -4.689) 8.037 2.095 ( 4.118 1.933 0.316) 4.560 2.159 ( 1.757 0.844 -5.188) 5.542 2.284 ( -0.830 7.329 -1.601) 7.548 2.350 ( 0.831 -0.939 -0.907) 1.548 2.386 ( -0.887 3.396 -3.672) 5.080 2.511 ( -3.825 -1.505 -2.961) 5.066 2.608 ( 3.092 3.296 -1.909) 4.906 2.647 ( 5.169 4.515 3.756) 7.824 2.723 ( -2.981 4.677 -3.222) 6.414 2.769 ( -0.821 7.545 -3.696) 8.441 2.923 ( -0.976 -1.530 -1.047) 2.096 2.931 ( -3.178 -5.992 0.243) 6.787 3.065 ( 1.695 -0.563 0.112) 1.789 3.255 ( -0.983 -2.071 0.743) 2.410 3.296 ( 2.542 2.116 -2.018) 3.874 3.425 ( -2.720 1.957 4.545) 5.647 3.494 ( -6.818 -1.097 4.269) 8.118 3.552 ( 5.361 -0.628 3.062) 6.206 3.601 ( 0.936 -1.063 3.242) 3.538 3.699 ( 2.896 1.880 -0.404) 3.476 3.723 ( -5.980 -1.987 -2.971) 6.966 3.868 ( -1.561 -1.835 0.807) 2.541 3.923 ( 0.206 -0.439 -3.279) 3.315 3.986 ( -4.153 3.965 -1.729) 5.996 4.112 ( 0.475 -1.805 0.808) 2.034 4.189 ( -0.314 1.570 0.450) 1.663 4.198 ( 4.186 -0.133 1.249) 4.370 4.271 ( 0.389 0.223 -1.091) 1.179 4.321 ( -1.880 -3.374 4.400) 5.854 4.457 ( 1.778 0.624 1.913) 2.686 4.494 ( -0.511 -0.131 0.865) 1.013 4.596 ( 0.127 0.893 -3.437) 3.554 4.734 ( -1.528 -0.467 -1.496) 2.189 4.793 ( 4.199 2.566 7.508) 8.977 4.856 ( -1.327 -0.040 0.615) 1.463 4.894 ( -3.422 2.374 -0.361) 4.181 4.923 ( -1.463 0.802 2.223) 2.780 5.051 ( -2.598 -1.193 -1.082) 3.056 5.178 ( 1.748 -4.242 -6.216) 7.726 5.213 ( 1.551 -0.560 2.902) 3.338 5.287 ( 1.183 0.553 -1.250) 1.807 5.454 ( -1.157 -0.846 -7.819) 7.950 5.541 ( -13.478 -7.862 -5.123) 16.423 5.716 ( -11.266 -1.827 -5.659) 12.739 6.098 ( 2.230 1.028 -2.264) 3.340 6.152 ( -0.206 -0.285 1.918) 1.950 6.282 ( 6.331 -3.087 0.774) 7.086 6.345 ( 4.299 -0.599 9.500) 10.444 6.604 ( -2.620 -3.318 -0.495) 4.256 6.673 ( 1.070 -5.071 2.448) 5.732 6.763 ( -3.270 -2.419 3.372) 5.283 6.787 ( 5.379 -2.926 -3.463) 7.035 6.823 ( -1.402 0.218 1.827) 2.314 6.866 ( -0.013 -1.692 -2.288) 2.846 7.010 ( -0.464 -8.638 -3.909) 9.493 7.094 ( 1.377 -0.689 -0.614) 1.658 7.124 ( -0.083 4.123 -0.185) 4.128 7.184 ( 1.340 0.801 -3.211) 3.571 7.277 ( 1.809 -3.014 6.626) 7.500 7.372 ( 4.096 0.423 -2.033) 4.592 7.449 ( 4.354 0.493 0.885) 4.470 7.566 ( 3.739 3.229 -0.223) 4.945 7.637 ( 0.868 2.140 0.095) 2.311 7.677 ( -4.666 -0.947 -1.608) 5.025 7.841 ( -0.256 -0.531 -0.920) 1.093 7.907 ( -0.745 2.307 1.315) 2.758 7.981 ( -0.781 4.515 2.195) 5.080 8.136 ( -1.526 3.449 -1.393) 4.021 8.245 ( -3.752 2.413 -1.430) 4.685 8.301 ( 2.134 -0.785 2.408) 3.312 8.354 ( -2.430 3.092 -5.009) 6.368 8.528 ( -4.291 -0.416 2.999) 5.252 10.194 ( -0.696 12.059 -0.809) 12.106 10.227 ( -2.776 13.378 1.440) 13.739 11.903 ( 7.869 -9.837 7.381) 14.600 12.173 ( 9.404 -9.817 0.032) 13.595 13.329 ( 2.084 -1.518 -1.137) 2.818 13.398 ( -1.174 0.935 1.199) 1.921 13.440 ( -1.244 1.942 0.469) 2.354 13.477 ( 0.904 4.442 1.430) 4.753 13.699 ( 2.931 14.432 -5.394) 15.683 13.898 ( -12.494 -3.534 -21.194) 24.855 13.939 ( 21.913 -0.387 3.487) 22.192 14.598 ( -14.009 3.549 14.535) 20.497 15.639 ( 0.286 -1.060 0.423) 1.177 15.662 ( 0.371 -0.346 -0.402) 0.647 15.705 ( -0.416 1.642 0.175) 1.703 15.709 ( -0.065 1.788 -1.337) 2.234 15.760 ( 0.494 1.044 1.485) 1.881 15.805 ( 0.808 0.757 2.967) 3.166 15.983 ( -0.944 0.099 -1.016) 1.391 16.050 ( -0.372 -0.183 0.714) 0.825 17.372 ( 5.838 -2.802 -7.782) 10.124 17.443 ( 2.699 -1.882 1.321) 3.546 17.487 ( 3.216 -0.475 1.404) 3.541 17.646 ( -5.423 -1.180 -1.734) 5.815 17.784 ( 1.005 -3.944 -0.011) 4.070 18.044 ( 1.163 -3.213 4.569) 5.706 18.079 ( -0.194 -7.700 2.002) 7.959 18.152 ( -9.478 -2.235 -1.376) 9.835 ======================= Grid point 126 (60/80) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -18.739 -8.835 13.293) 24.615 1.362 ( 16.073 -9.743 -12.381) 22.507 1.613 ( 25.646 1.176 8.259) 26.969 1.701 ( -17.643 9.795 4.607) 20.699 1.751 ( -4.542 1.959 11.324) 12.357 1.885 ( 2.205 6.261 1.446) 6.794 1.917 ( -2.042 7.059 3.187) 8.010 1.946 ( -0.893 2.163 -4.396) 4.981 2.024 ( -2.388 -0.264 -7.683) 8.050 2.117 ( -2.946 1.906 -10.112) 10.704 2.246 ( 2.001 3.004 5.073) 6.226 2.337 ( -2.239 1.356 -1.879) 3.222 2.423 ( 1.600 3.093 2.250) 4.146 2.456 ( 3.132 4.173 2.497) 5.784 2.506 ( -4.257 2.851 -4.426) 6.771 2.586 ( 0.892 4.781 -7.562) 8.991 2.715 ( -3.094 7.970 0.707) 8.579 2.780 ( 4.030 7.445 -4.971) 9.818 2.897 ( -1.393 -8.653 2.444) 9.099 2.931 ( 1.886 -7.060 -1.462) 7.452 3.136 ( 0.709 1.548 3.810) 4.173 3.233 ( -0.767 0.776 -5.340) 5.450 3.342 ( -2.604 0.787 6.144) 6.719 3.412 ( 1.830 3.739 -0.488) 4.192 3.479 ( 3.882 -1.170 4.581) 6.118 3.576 ( -2.881 -3.499 -5.291) 6.967 3.669 ( 3.017 -1.397 2.594) 4.217 3.682 ( 1.562 -0.579 0.604) 1.772 3.747 ( 1.618 0.275 2.588) 3.064 3.837 ( -0.597 0.514 -4.589) 4.657 3.885 ( -0.487 2.892 1.344) 3.226 3.931 ( -1.221 1.499 -0.753) 2.075 4.093 ( -1.472 1.060 0.046) 1.815 4.145 ( -1.602 1.755 -5.214) 5.730 4.251 ( -0.035 -2.985 5.709) 6.442 4.292 ( -1.375 -3.772 1.387) 4.248 4.379 ( 2.978 0.822 2.443) 3.939 4.436 ( -0.840 0.163 -1.953) 2.133 4.509 ( 0.396 -2.480 3.036) 3.940 4.572 ( 0.533 -3.362 -3.599) 4.954 4.764 ( 3.336 4.416 1.674) 5.782 4.799 ( -4.944 4.334 -1.715) 6.795 4.872 ( 1.433 -1.325 2.840) 3.445 4.894 ( -3.761 -0.729 3.206) 4.996 4.961 ( 6.576 1.147 2.865) 7.264 5.019 ( -0.172 -3.099 -4.404) 5.388 5.173 ( 0.437 -1.442 0.873) 1.742 5.226 ( -3.955 -1.716 -2.470) 4.968 5.282 ( -0.635 0.059 -0.291) 0.701 5.319 ( 1.851 2.032 -1.756) 3.262 5.413 ( -2.839 1.544 -0.769) 3.322 5.506 ( -3.843 0.175 -6.548) 7.594 6.115 ( -2.275 -2.374 2.245) 3.981 6.156 ( 2.266 -1.640 -2.120) 3.510 6.420 ( 6.365 -4.161 2.495) 8.003 6.428 ( -3.753 -2.063 2.559) 4.989 6.590 ( 1.526 -3.001 2.803) 4.381 6.675 ( -1.681 -4.698 -4.745) 6.885 6.736 ( -4.509 -3.585 8.068) 9.914 6.807 ( 1.206 -3.408 -1.190) 3.806 6.841 ( -0.854 -4.333 -0.573) 4.454 6.885 ( 4.909 1.513 -0.505) 5.162 6.978 ( 0.045 -5.099 -1.943) 5.457 7.066 ( 1.451 -1.402 -7.043) 7.326 7.130 ( -2.459 1.816 4.132) 5.140 7.195 ( 2.607 2.111 -2.952) 4.468 7.347 ( -1.170 -0.714 4.498) 4.703 7.414 ( 3.415 -0.759 -3.142) 4.702 7.524 ( -0.250 2.152 2.221) 3.102 7.562 ( -2.919 1.951 -1.590) 3.854 7.619 ( 1.559 1.682 0.423) 2.332 7.627 ( -0.676 1.691 -0.485) 1.885 7.844 ( 0.813 -2.415 0.378) 2.576 7.882 ( -0.283 -1.049 -3.552) 3.714 8.011 ( 0.189 4.224 4.282) 6.018 8.079 ( -2.488 3.834 -2.795) 5.357 8.185 ( -2.684 3.935 5.557) 7.319 8.290 ( 0.429 5.591 -5.315) 7.726 8.422 ( 5.588 -0.826 2.336) 6.112 8.446 ( -4.271 1.303 -0.469) 4.490 10.193 ( -0.942 11.185 0.492) 11.236 10.202 ( 1.213 12.012 -0.453) 12.082 12.093 ( 2.571 -13.322 10.032) 16.874 12.251 ( 1.676 -12.956 -5.859) 14.318 13.372 ( 0.424 -1.060 0.693) 1.336 13.386 ( 0.607 0.842 -0.174) 1.053 13.441 ( 0.841 1.741 2.723) 3.339 13.513 ( -1.342 7.744 2.587) 8.274 13.560 ( -4.665 -1.181 -8.780) 10.012 13.643 ( -0.601 13.802 -8.741) 16.348 14.363 ( -19.253 4.179 5.919) 20.572 14.420 ( 23.996 -3.013 0.034) 24.184 15.653 ( 0.258 -0.033 1.191) 1.219 15.677 ( 0.699 0.458 0.759) 1.129 15.685 ( -0.430 1.212 -1.927) 2.317 15.695 ( -0.652 1.511 -0.857) 1.855 15.810 ( 2.572 0.059 3.719) 4.522 15.876 ( 2.612 -0.774 5.878) 6.478 15.888 ( -4.202 -0.423 -4.340) 6.056 15.973 ( -4.105 -0.500 -4.193) 5.889 17.477 ( 4.084 -2.426 1.481) 4.976 17.507 ( -6.115 0.716 -1.615) 6.366 17.520 ( 2.414 -1.585 0.906) 3.027 17.533 ( -0.429 -1.277 -0.544) 1.453 17.862 ( 9.202 -3.751 0.425) 9.947 17.888 ( -10.095 -1.045 -2.287) 10.403 18.112 ( 1.618 -8.340 3.591) 9.223 18.149 ( 0.533 -3.357 -0.204) 3.405 ======================= Grid point 127 (61/80) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -19.281 -11.040 18.584) 28.965 1.135 ( -32.573 3.907 -9.152) 34.059 1.508 ( 11.439 -8.596 -11.980) 18.662 1.684 ( -12.744 19.531 14.206) 27.307 1.840 ( -4.757 0.408 4.403) 6.494 1.887 ( -0.008 -4.205 -8.130) 9.153 1.938 ( 2.239 7.588 -0.365) 7.920 1.949 ( -2.867 2.127 -3.147) 4.759 2.042 ( -0.368 2.061 5.406) 5.797 2.075 ( 9.643 4.301 1.574) 10.676 2.299 ( 3.535 4.695 -2.156) 6.260 2.355 ( -1.150 5.350 2.378) 5.967 2.383 ( 1.395 2.984 -0.060) 3.294 2.496 ( 0.606 4.126 -5.251) 6.706 2.556 ( 4.661 -0.618 2.083) 5.142 2.615 ( -5.685 7.868 4.170) 10.565 2.698 ( 8.864 5.986 -2.431) 10.969 2.772 ( 1.360 2.709 -1.712) 3.481 2.911 ( 0.801 -7.607 0.992) 7.714 2.969 ( 3.629 -4.791 -2.191) 6.398 3.082 ( -4.337 0.818 -2.376) 5.012 3.215 ( -2.089 -0.295 3.736) 4.291 3.278 ( -1.736 4.357 0.660) 4.736 3.507 ( 2.315 1.686 -2.038) 3.515 3.560 ( 6.812 -3.546 -3.901) 8.614 3.618 ( -1.526 -0.846 -1.246) 2.144 3.649 ( 4.735 -0.163 0.217) 4.743 3.690 ( 0.664 -2.178 -4.019) 4.619 3.747 ( -0.678 0.444 -4.117) 4.196 3.823 ( 1.701 -0.191 3.249) 3.673 3.918 ( 0.492 -0.712 -0.624) 1.067 3.948 ( 3.150 1.722 2.415) 4.326 4.071 ( 0.070 5.146 4.050) 6.549 4.152 ( -3.612 -1.927 0.104) 4.095 4.213 ( -0.808 -0.286 2.757) 2.888 4.296 ( -1.829 3.265 -3.026) 4.813 4.370 ( 3.272 -5.055 1.014) 6.106 4.503 ( -2.208 -2.013 -1.997) 3.593 4.528 ( -0.585 -0.256 2.570) 2.648 4.559 ( 5.671 -3.391 -5.603) 8.663 4.713 ( -2.529 0.387 0.014) 2.559 4.830 ( -0.126 4.115 3.255) 5.248 4.849 ( -1.414 -2.630 2.383) 3.820 4.934 ( 3.037 0.297 -2.752) 4.109 4.978 ( 2.356 0.202 -0.349) 2.390 5.021 ( -0.794 2.174 -4.298) 4.881 5.135 ( -4.662 -1.136 -2.037) 5.213 5.243 ( 2.165 -1.078 6.888) 7.300 5.258 ( -1.769 -0.482 -0.505) 1.901 5.316 ( 1.453 1.790 0.709) 2.413 5.463 ( 5.088 -3.490 5.848) 8.501 5.548 ( 7.575 -1.528 8.274) 11.322 6.068 ( -3.686 -0.557 1.522) 4.026 6.181 ( 1.382 -1.732 -1.334) 2.586 6.314 ( -6.926 -0.696 -2.021) 7.248 6.503 ( -0.280 -2.643 -5.829) 6.406 6.595 ( 0.432 -3.906 -0.006) 3.930 6.665 ( 1.766 -4.071 3.592) 5.709 6.707 ( -5.541 0.970 2.977) 6.364 6.799 ( -0.219 -3.033 -2.089) 3.689 6.828 ( 1.551 -4.508 -1.346) 4.954 6.947 ( 3.406 -7.501 -0.753) 8.272 7.007 ( 0.948 1.393 3.285) 3.692 7.012 ( -0.613 -1.680 -6.101) 6.357 7.116 ( -2.081 0.968 1.911) 2.986 7.197 ( 0.368 3.438 -2.963) 4.554 7.324 ( -2.624 -0.076 2.137) 3.385 7.401 ( -1.354 -2.442 -5.188) 5.892 7.468 ( -4.603 1.232 -0.415) 4.783 7.572 ( -1.615 0.500 -0.855) 1.895 7.608 ( 3.319 -1.224 3.072) 4.685 7.648 ( -0.426 1.363 0.442) 1.495 7.845 ( -1.189 0.925 -2.058) 2.551 7.904 ( 4.048 0.620 1.302) 4.297 8.013 ( 0.609 2.014 -0.569) 2.180 8.085 ( 0.010 3.903 4.163) 5.707 8.221 ( -0.759 3.487 6.172) 7.129 8.269 ( 1.928 4.215 -1.166) 4.780 8.336 ( -3.947 3.232 -1.425) 5.297 8.565 ( 6.752 -2.250 -0.844) 7.167 10.183 ( -0.105 10.628 0.398) 10.636 10.255 ( 5.355 15.653 -1.338) 16.598 12.101 ( -7.990 -13.473 -12.991) 20.350 12.144 ( -5.290 -13.389 3.782) 14.884 13.315 ( -3.221 0.382 0.109) 3.246 13.407 ( 0.520 0.131 -0.043) 0.538 13.451 ( -0.074 2.746 -0.712) 2.838 13.548 ( -1.032 10.046 -6.563) 12.044 13.584 ( 3.462 6.009 9.732) 11.950 13.603 ( 4.995 4.573 7.364) 10.004 13.984 ( -21.242 5.090 -1.112) 21.871 14.813 ( 20.237 -6.066 -8.374) 22.726 15.655 ( -0.405 1.112 -1.027) 1.567 15.666 ( -0.897 0.459 -0.479) 1.115 15.677 ( 0.022 0.653 0.654) 0.924 15.694 ( 0.067 1.693 1.132) 2.038 15.797 ( -1.549 -0.140 -2.252) 2.737 15.872 ( -2.358 0.389 -3.603) 4.324 15.928 ( 4.462 -0.275 4.814) 6.569 16.008 ( 4.572 -0.961 5.577) 7.275 17.272 ( -15.401 3.370 2.437) 15.952 17.476 ( -2.871 -1.402 -2.119) 3.834 17.502 ( -1.972 -1.771 -0.094) 2.652 17.609 ( 4.333 -1.211 1.869) 4.872 17.796 ( 0.212 -2.690 -1.054) 2.897 18.080 ( 7.113 -5.409 0.085) 8.937 18.114 ( 0.427 -5.644 -1.785) 5.934 18.151 ( 2.370 -6.396 -0.408) 6.833 ======================= Grid point 128 (62/80) ======================= q-point: (-0.17 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -5.461 6.936 17.971) 20.022 0.820 ( -10.323 -9.365 27.192) 30.556 1.482 ( 1.622 -7.415 -16.242) 17.928 1.621 ( -10.777 21.183 17.448) 29.484 1.774 ( -2.077 -0.370 -1.269) 2.462 1.868 ( 0.184 2.568 -0.406) 2.606 1.902 ( 1.965 3.358 -3.855) 5.477 1.968 ( -1.803 5.387 3.737) 6.799 2.081 ( 1.151 1.933 3.178) 3.894 2.129 ( 1.759 5.590 -6.705) 8.906 2.301 ( -1.570 1.717 -1.315) 2.672 2.374 ( 0.824 5.831 -5.489) 8.051 2.399 ( 0.858 4.482 -3.937) 6.027 2.479 ( -4.436 4.525 4.414) 7.723 2.509 ( -0.654 7.278 5.250) 8.998 2.593 ( -4.714 5.705 -3.712) 8.280 2.719 ( 3.405 -0.360 -1.136) 3.608 2.866 ( 3.562 3.918 -5.810) 7.861 2.933 ( 1.945 -3.967 0.866) 4.502 3.027 ( 4.941 -3.220 0.619) 5.930 3.055 ( 0.820 -1.648 1.415) 2.321 3.240 ( -0.053 -3.548 5.440) 6.495 3.275 ( 0.625 3.736 -0.266) 3.798 3.502 ( -3.609 -1.949 -6.744) 7.893 3.517 ( 1.939 -0.226 -4.853) 5.231 3.603 ( -0.924 0.575 -2.990) 3.182 3.627 ( 3.457 -0.685 -1.934) 4.020 3.698 ( 0.174 0.646 -4.334) 4.385 3.827 ( 4.254 -1.016 1.958) 4.792 3.873 ( 0.390 -1.911 3.016) 3.592 3.904 ( 0.399 -2.669 -2.797) 3.887 4.040 ( -2.280 -0.471 2.497) 3.414 4.051 ( 2.074 2.271 0.061) 3.076 4.157 ( 1.846 3.337 6.081) 7.178 4.201 ( -0.484 0.444 -1.311) 1.466 4.292 ( -0.288 1.207 -3.181) 3.415 4.364 ( -2.129 -5.585 -4.986) 7.783 4.455 ( -0.572 -0.545 -2.317) 2.448 4.496 ( 0.139 1.518 -2.994) 3.360 4.551 ( -2.455 2.713 3.274) 4.910 4.736 ( -0.455 -2.462 -0.337) 2.526 4.824 ( -0.072 2.773 -6.790) 7.334 4.902 ( 4.237 0.152 2.775) 5.067 4.913 ( 1.481 -0.727 3.485) 3.856 4.946 ( -1.334 1.109 -2.379) 2.945 5.086 ( 0.290 -1.021 2.538) 2.751 5.120 ( 2.422 -5.099 3.776) 6.791 5.221 ( -0.661 -1.422 -2.814) 3.221 5.263 ( 1.143 3.463 2.881) 4.648 5.401 ( 0.132 0.655 5.637) 5.677 5.719 ( 10.070 -11.738 11.168) 19.076 5.848 ( 12.567 -12.317 13.263) 22.035 6.038 ( -1.737 4.058 2.380) 5.015 6.162 ( -4.515 1.488 1.314) 4.933 6.199 ( 1.076 0.425 -4.978) 5.111 6.367 ( -2.028 -1.161 -9.603) 9.883 6.628 ( -2.628 2.630 1.138) 3.889 6.651 ( 1.853 -6.907 0.330) 7.159 6.705 ( 0.240 -4.550 1.387) 4.763 6.803 ( 0.703 -2.137 -0.012) 2.249 6.826 ( -0.207 -3.010 -1.457) 3.350 6.922 ( -2.514 -0.751 -4.634) 5.325 7.013 ( 1.219 -5.284 1.252) 5.565 7.055 ( 1.274 -1.251 3.248) 3.706 7.064 ( -4.070 -0.946 -0.039) 4.179 7.176 ( -1.003 3.365 -0.015) 3.512 7.289 ( -3.210 -1.845 -2.110) 4.262 7.316 ( -1.464 0.925 -2.496) 3.038 7.397 ( -0.709 -3.751 -2.696) 4.674 7.518 ( -1.651 1.301 -1.712) 2.711 7.610 ( -2.528 3.184 -1.293) 4.266 7.700 ( 0.213 1.124 0.625) 1.304 7.812 ( -1.034 2.985 3.007) 4.361 7.946 ( 1.507 0.356 -0.953) 1.818 8.065 ( 4.335 3.616 -2.613) 6.220 8.097 ( -2.393 3.633 4.183) 6.035 8.256 ( 0.682 1.156 2.664) 2.983 8.300 ( 0.182 0.230 1.975) 1.996 8.363 ( 3.071 -1.111 6.289) 7.086 8.629 ( 2.867 -2.626 -4.330) 5.819 10.200 ( 0.892 12.191 1.560) 12.323 10.359 ( 9.262 20.929 -7.346) 24.037 11.767 ( -14.231 -6.694 -6.514) 17.023 11.995 ( -10.302 -9.987 -3.125) 14.684 13.294 ( -0.304 0.732 1.643) 1.824 13.412 ( -0.083 1.043 0.154) 1.058 13.466 ( 0.392 4.093 0.338) 4.125 13.489 ( 0.758 5.654 -2.926) 6.411 13.590 ( -7.310 5.857 -0.407) 9.376 13.666 ( -8.720 7.601 -0.647) 11.586 13.926 ( 10.211 1.767 20.885) 23.315 14.954 ( 9.198 -7.868 -17.751) 21.486 15.647 ( 0.582 0.093 -0.680) 0.900 15.658 ( 0.718 1.054 0.567) 1.396 15.690 ( -0.323 1.330 1.643) 2.138 15.700 ( -0.491 2.020 0.951) 2.286 15.776 ( 0.772 0.719 -1.267) 1.648 15.820 ( -0.427 1.047 -2.336) 2.595 15.967 ( -3.824 0.767 -2.487) 4.625 16.039 ( -4.328 0.168 -4.314) 6.113 17.173 ( -2.920 3.940 15.820) 16.562 17.429 ( 0.053 -1.159 -0.447) 1.243 17.454 ( -1.717 -0.585 -1.318) 2.242 17.697 ( 2.590 -2.021 2.901) 4.383 17.806 ( 1.619 -4.087 -1.582) 4.672 18.045 ( -3.665 -4.821 -7.612) 9.727 18.104 ( 3.522 -8.478 3.135) 9.701 18.297 ( 5.800 -7.125 0.545) 9.203 ======================= Grid point 129 (63/80) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 7.380 13.222 8.051) 17.149 1.214 ( -2.007 -1.450 -16.932) 17.112 1.427 ( 18.574 11.269 23.058) 31.680 1.779 ( -8.043 6.167 -4.830) 11.227 1.823 ( -8.563 2.064 -7.434) 11.526 1.853 ( 5.152 1.306 -4.389) 6.893 2.025 ( -5.228 10.926 3.653) 12.651 2.051 ( 1.993 5.310 1.069) 5.771 2.239 ( -0.378 8.145 5.683) 9.939 2.277 ( -0.487 7.602 3.206) 8.264 2.337 ( 3.090 4.653 -0.780) 5.639 2.397 ( -1.391 6.671 -9.786) 11.925 2.455 ( 0.212 3.433 2.816) 4.445 2.499 ( -3.975 2.785 -3.288) 5.863 2.670 ( 2.254 6.541 3.904) 7.944 2.714 ( -2.748 6.019 2.257) 6.991 2.835 ( 0.880 2.715 0.585) 2.913 2.897 ( 1.702 -1.210 4.164) 4.658 2.904 ( 1.828 1.802 -5.629) 6.187 2.992 ( -1.465 2.216 -5.000) 5.662 3.072 ( -4.096 -5.035 7.321) 9.784 3.180 ( 4.217 -4.334 -4.710) 7.665 3.362 ( 3.184 2.158 0.516) 3.881 3.384 ( -3.354 2.190 -0.949) 4.116 3.546 ( 2.803 0.784 0.879) 3.041 3.604 ( -1.675 1.988 -0.776) 2.713 3.614 ( -2.130 1.987 -0.412) 2.942 3.689 ( -0.206 -1.599 -1.399) 2.135 3.801 ( -2.700 -1.644 1.999) 3.740 3.837 ( 2.772 -4.548 1.360) 5.497 3.875 ( 1.767 -3.987 1.075) 4.491 3.922 ( -1.796 -3.693 -5.344) 6.739 4.109 ( 0.206 -0.640 0.505) 0.841 4.148 ( -2.982 -0.084 -3.654) 4.717 4.211 ( 0.879 -0.162 2.198) 2.372 4.254 ( -0.762 -1.152 -1.545) 2.073 4.321 ( 2.264 0.399 2.719) 3.561 4.388 ( -2.682 -0.452 -3.106) 4.129 4.583 ( -3.812 3.711 0.956) 5.405 4.593 ( 4.548 3.291 -0.584) 5.644 4.719 ( 0.816 0.821 4.097) 4.257 4.800 ( -2.730 2.257 -4.517) 5.741 4.875 ( -1.114 -6.092 -0.050) 6.193 4.884 ( 3.358 -5.528 -1.025) 6.549 5.005 ( 2.302 0.028 4.222) 4.809 5.041 ( -0.984 -1.584 0.920) 2.079 5.136 ( -3.096 -0.017 0.320) 3.112 5.165 ( 1.812 -1.213 -3.234) 3.901 5.331 ( 3.303 -5.384 3.805) 7.374 5.385 ( -3.254 -1.952 -1.700) 4.158 5.652 ( -0.540 -13.626 7.382) 15.506 5.701 ( 1.588 -17.248 2.744) 17.537 6.114 ( 0.785 2.882 -0.450) 3.021 6.159 ( 1.605 0.309 -4.672) 4.949 6.207 ( -1.685 1.241 3.127) 3.763 6.285 ( 1.076 0.860 -4.940) 5.129 6.550 ( -1.603 -3.921 3.055) 5.223 6.602 ( 2.371 -2.251 -2.798) 4.303 6.695 ( -0.425 -2.468 1.040) 2.711 6.722 ( 0.519 -2.788 -1.657) 3.284 6.832 ( -2.592 -3.395 2.581) 4.990 6.858 ( 0.824 1.183 0.997) 1.753 6.910 ( -0.866 -1.020 0.227) 1.357 6.963 ( 1.291 -1.313 -1.600) 2.440 7.097 ( -0.732 -1.411 1.453) 2.153 7.151 ( 1.657 0.205 -5.197) 5.459 7.268 ( -2.043 2.217 2.578) 3.967 7.314 ( 3.143 0.358 -2.216) 3.863 7.430 ( 4.119 1.925 1.724) 4.863 7.480 ( -3.799 2.443 -3.746) 5.868 7.666 ( 2.345 3.860 1.681) 4.819 7.709 ( -2.629 3.085 -2.456) 4.739 7.924 ( 1.340 2.463 4.066) 4.939 7.979 ( -0.274 3.057 -1.330) 3.345 8.061 ( -4.339 0.114 6.697) 7.980 8.186 ( 1.180 3.250 -5.480) 6.480 8.322 ( -4.078 2.743 4.760) 6.842 8.349 ( -0.732 2.178 1.562) 2.779 8.462 ( 5.624 2.183 1.650) 6.254 8.526 ( -0.998 -4.082 -5.006) 6.536 10.535 ( -0.493 14.591 6.441) 15.957 10.699 ( 0.796 14.080 -11.763) 18.364 11.576 ( 4.489 -6.574 2.351) 8.301 11.623 ( -4.317 -10.077 -2.725) 11.296 13.360 ( 3.000 1.169 2.411) 4.023 13.409 ( -4.408 1.508 -2.553) 5.312 13.477 ( 0.016 1.296 1.297) 1.833 13.513 ( -0.590 1.463 -1.874) 2.450 13.708 ( -10.527 10.512 6.870) 16.386 13.821 ( 9.990 15.028 -5.438) 18.847 14.372 ( 12.590 4.248 14.021) 19.317 14.616 ( -10.077 -9.731 -11.969) 18.425 15.676 ( 0.787 0.227 1.104) 1.375 15.693 ( -0.863 0.182 -0.381) 0.961 15.723 ( 1.822 1.271 1.517) 2.690 15.742 ( 0.044 1.064 0.436) 1.151 15.820 ( -0.766 0.916 1.120) 1.637 15.826 ( 2.311 1.022 2.117) 3.296 15.872 ( -3.335 2.205 -3.761) 5.489 15.893 ( -4.717 1.350 -5.221) 7.165 17.369 ( 0.530 2.958 3.011) 4.254 17.397 ( -0.448 -0.061 -0.801) 0.919 17.566 ( 11.957 0.245 7.679) 14.213 17.670 ( -2.755 -4.279 1.987) 5.463 17.712 ( -0.457 -6.022 -3.117) 6.796 17.733 ( -7.048 -6.416 -6.895) 11.763 18.082 ( -3.515 -11.949 0.430) 12.462 18.086 ( 5.737 -9.390 -0.022) 11.004 ======================= Grid point 130 (64/80) ======================= q-point: ( 0.17 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 3.154 -4.756 -17.553) 18.457 1.189 ( 7.320 12.100 6.803) 15.693 1.359 ( -10.315 8.053 -21.687) 25.329 1.686 ( -6.645 -0.343 -0.487) 6.672 1.885 ( -1.401 4.092 1.257) 4.504 1.915 ( 10.192 6.004 12.855) 17.469 1.976 ( -1.050 7.936 0.344) 8.012 2.085 ( -0.785 6.177 3.646) 7.216 2.213 ( -4.152 3.962 -2.212) 6.151 2.268 ( 1.316 6.741 -0.876) 6.923 2.376 ( 2.933 5.655 -4.310) 7.691 2.429 ( -1.973 5.756 3.375) 6.958 2.469 ( 7.455 5.829 3.694) 10.158 2.540 ( 3.010 3.228 3.640) 5.721 2.627 ( -3.947 3.489 0.311) 5.277 2.666 ( -4.719 5.805 -0.514) 7.499 2.813 ( -2.898 -1.306 -0.514) 3.220 2.869 ( -0.318 -0.588 -1.161) 1.340 2.966 ( -1.987 3.637 -3.257) 5.272 2.993 ( -1.019 -1.309 2.987) 3.417 3.004 ( 2.550 1.516 1.649) 3.394 3.224 ( 1.177 -2.816 -2.122) 3.717 3.334 ( -0.103 0.941 -1.646) 1.899 3.425 ( 1.868 1.444 0.121) 2.364 3.484 ( -3.689 2.189 0.127) 4.291 3.575 ( -1.909 0.895 2.757) 3.471 3.671 ( 0.101 4.924 1.379) 5.114 3.685 ( 3.462 1.665 -1.536) 4.138 3.777 ( -3.588 -2.022 2.190) 4.664 3.801 ( -3.381 -5.501 -1.151) 6.558 3.884 ( 2.824 -2.723 -4.224) 5.765 3.986 ( 5.782 -3.540 3.372) 7.571 4.086 ( -1.282 -0.026 0.293) 1.315 4.115 ( -2.384 -2.669 3.241) 4.828 4.237 ( 1.651 1.488 -0.883) 2.391 4.255 ( -0.194 -1.180 1.725) 2.099 4.293 ( -1.341 -0.020 -2.067) 2.464 4.430 ( 3.524 0.391 2.004) 4.072 4.527 ( -2.329 2.819 -0.140) 3.660 4.646 ( -0.675 1.298 -0.945) 1.742 4.727 ( 0.543 -0.346 -2.835) 2.907 4.772 ( 0.222 2.876 4.775) 5.578 4.862 ( -0.006 -2.022 0.235) 2.035 4.945 ( 2.709 -4.968 -2.515) 6.193 4.957 ( -3.697 0.711 -0.747) 3.838 5.032 ( -2.168 -3.991 1.361) 4.742 5.140 ( 1.710 -0.938 1.822) 2.669 5.165 ( -0.497 0.174 -2.489) 2.544 5.299 ( -2.324 -1.853 -2.264) 3.737 5.415 ( 0.235 -8.884 3.950) 9.725 5.533 ( -8.308 -9.939 -3.829) 13.508 5.733 ( -2.602 -13.763 0.636) 14.021 6.088 ( -0.638 -0.231 -1.829) 1.951 6.180 ( 1.972 -1.182 -4.465) 5.022 6.227 ( 0.685 1.481 6.582) 6.781 6.283 ( 1.814 5.583 -2.944) 6.567 6.522 ( -2.120 -4.194 2.030) 5.119 6.652 ( -1.738 -3.445 -0.426) 3.882 6.667 ( 4.079 -0.377 -2.526) 4.813 6.731 ( -0.516 -2.335 0.786) 2.518 6.801 ( -2.562 -4.197 3.459) 6.012 6.867 ( -1.426 0.468 -1.191) 1.916 6.911 ( 1.274 -3.221 -1.187) 3.661 7.025 ( 3.397 -2.475 -1.729) 4.545 7.091 ( 2.896 -1.445 1.952) 3.780 7.187 ( 4.431 1.610 -1.564) 4.967 7.254 ( -0.025 1.543 -0.946) 1.810 7.361 ( -0.708 1.849 -3.912) 4.385 7.383 ( 1.584 2.438 -0.522) 2.954 7.514 ( 3.522 0.972 1.384) 3.907 7.659 ( -0.035 1.453 -0.985) 1.755 7.726 ( 0.243 3.058 1.668) 3.492 7.914 ( -2.101 1.268 -2.197) 3.294 7.972 ( -1.373 3.027 1.279) 3.561 8.069 ( -1.914 4.291 6.584) 8.089 8.184 ( 2.045 1.877 -1.322) 3.074 8.287 ( -4.392 0.996 4.172) 6.139 8.346 ( -2.530 0.294 2.035) 3.260 8.455 ( 0.259 -0.524 -5.484) 5.515 8.548 ( 3.089 3.472 -0.798) 4.716 10.550 ( -4.927 14.083 5.623) 15.944 10.566 ( -3.710 15.699 -5.945) 17.192 11.583 ( 2.140 -9.499 -0.171) 9.738 11.758 ( 11.503 -11.032 -0.035) 15.938 13.323 ( -1.928 0.593 -1.159) 2.327 13.435 ( -1.110 1.571 1.715) 2.577 13.485 ( 2.441 0.421 2.100) 3.247 13.530 ( -1.435 1.845 0.308) 2.358 13.642 ( 1.842 7.082 8.125) 10.935 13.984 ( 11.298 17.525 -6.642) 21.883 14.237 ( -15.544 -6.973 -14.742) 22.530 14.653 ( 4.502 5.128 9.925) 12.045 15.638 ( -2.039 0.243 -0.077) 2.055 15.687 ( -1.844 0.284 -1.323) 2.288 15.733 ( 0.017 1.329 0.407) 1.390 15.747 ( -0.044 0.910 0.465) 1.022 15.788 ( -1.394 1.562 -0.163) 2.100 15.809 ( -0.755 0.651 -0.196) 1.016 15.930 ( 5.072 1.294 4.068) 6.629 15.958 ( 6.044 0.538 4.312) 7.444 17.378 ( -4.461 -4.027 -0.028) 6.010 17.412 ( 1.254 0.968 -3.100) 3.481 17.438 ( -4.227 -2.268 -4.881) 6.844 17.655 ( -3.376 -8.745 0.861) 9.413 17.684 ( -1.912 -4.186 -1.082) 4.727 17.858 ( 9.949 -0.084 5.310) 11.277 17.934 ( -6.733 -11.572 -0.077) 13.389 18.187 ( 2.153 -6.205 -3.042) 7.239 ======================= Grid point 131 (65/80) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 13.039 -9.928 -16.882) 23.529 1.218 ( 13.141 9.553 -3.650) 16.651 1.279 ( -5.953 7.790 0.392) 9.812 1.626 ( 1.993 -0.365 2.574) 3.276 1.847 ( -2.551 2.212 5.763) 6.679 1.971 ( 2.075 2.257 -3.793) 4.877 2.063 ( -2.538 7.053 6.298) 9.790 2.108 ( -0.427 1.548 1.604) 2.270 2.189 ( 0.250 3.138 -1.513) 3.493 2.234 ( -3.765 12.306 -0.246) 12.872 2.330 ( -3.360 0.746 -0.893) 3.556 2.439 ( -1.530 6.120 -1.685) 6.530 2.511 ( -4.540 2.253 -2.814) 5.797 2.530 ( 2.351 8.647 1.946) 9.170 2.653 ( 2.335 0.673 0.642) 2.514 2.733 ( 5.351 1.816 4.730) 7.370 2.751 ( -4.618 1.604 0.884) 4.968 2.821 ( -3.699 -2.782 -1.438) 4.847 2.864 ( -3.701 -2.556 -3.480) 5.687 2.983 ( 0.730 9.114 -5.582) 10.712 3.101 ( 4.756 2.207 3.189) 6.137 3.204 ( -2.587 -0.497 5.068) 5.712 3.343 ( 0.939 3.260 -2.724) 4.351 3.396 ( -0.231 -1.917 2.177) 2.910 3.534 ( -3.010 1.557 0.342) 3.406 3.576 ( 3.769 2.016 6.722) 7.965 3.622 ( -3.383 4.206 1.514) 5.606 3.694 ( -4.064 -1.419 -3.695) 5.673 3.724 ( 1.394 0.674 -1.764) 2.347 3.805 ( 2.084 -2.912 1.225) 3.785 3.888 ( 1.763 -2.830 -4.324) 5.461 4.044 ( -2.602 1.381 -2.911) 4.141 4.096 ( 1.334 0.058 2.745) 3.053 4.145 ( 1.594 -4.561 6.357) 7.984 4.203 ( -1.806 -0.641 -2.089) 2.835 4.287 ( -0.894 -0.681 -0.944) 1.468 4.302 ( 3.532 2.249 2.301) 4.778 4.461 ( -0.387 0.516 -1.613) 1.737 4.513 ( -0.504 2.087 0.627) 2.237 4.559 ( -3.737 -2.926 -2.163) 5.216 4.747 ( 3.586 0.249 -2.333) 4.285 4.817 ( -0.692 -2.255 1.897) 3.027 4.855 ( 0.301 2.081 1.858) 2.806 4.924 ( -2.948 1.452 4.466) 5.545 4.966 ( 2.642 1.190 2.437) 3.786 5.041 ( -4.755 0.137 -5.282) 7.108 5.095 ( 3.058 -3.136 -0.223) 4.386 5.184 ( 3.046 -3.297 0.793) 4.558 5.290 ( -0.308 -0.025 1.326) 1.361 5.300 ( -8.840 -12.089 -3.786) 15.447 5.455 ( 0.527 -1.415 -2.616) 3.021 5.658 ( -3.543 -4.835 -4.285) 7.369 6.095 ( 2.217 -1.711 0.804) 2.914 6.148 ( -1.282 -0.764 -2.645) 3.037 6.241 ( 0.303 -0.715 -1.214) 1.441 6.358 ( 2.309 1.570 5.914) 6.540 6.524 ( -0.520 -4.401 1.756) 4.767 6.604 ( -2.335 -2.124 0.302) 3.171 6.698 ( -2.690 -4.023 1.267) 5.002 6.742 ( 2.299 -0.311 0.385) 2.352 6.776 ( -2.430 -6.502 -2.452) 7.361 6.835 ( 0.702 1.071 1.367) 1.873 6.898 ( 0.843 -2.905 -2.419) 3.873 7.050 ( 1.157 -2.308 -1.729) 3.107 7.176 ( -2.555 2.087 3.968) 5.161 7.217 ( 5.212 -0.493 -4.510) 6.910 7.270 ( 5.472 0.385 -1.741) 5.756 7.373 ( 0.155 1.394 -0.815) 1.622 7.452 ( 8.263 -0.595 2.365) 8.616 7.586 ( 1.930 0.003 -1.142) 2.242 7.642 ( -1.008 -0.355 -2.673) 2.879 7.705 ( -1.529 2.821 2.004) 3.783 7.837 ( -3.977 -0.089 -1.682) 4.319 7.966 ( -1.494 3.429 0.728) 3.810 8.083 ( -2.108 4.920 0.996) 5.445 8.177 ( -1.411 1.236 0.980) 2.116 8.277 ( -4.296 0.277 4.316) 6.096 8.318 ( 1.306 2.614 3.306) 4.412 8.443 ( 1.764 4.610 -3.102) 5.830 8.559 ( 0.437 4.593 -3.166) 5.596 10.471 ( -1.308 15.350 -2.506) 15.608 10.501 ( -5.073 13.772 2.955) 14.971 11.674 ( 3.991 -13.088 5.580) 14.777 11.925 ( 7.905 -15.112 -3.719) 17.456 13.312 ( 1.210 -0.307 -0.099) 1.252 13.414 ( -1.546 0.130 0.740) 1.719 13.476 ( -2.748 1.545 0.714) 3.233 13.562 ( 1.745 3.680 4.666) 6.193 13.811 ( -12.954 -2.519 -7.136) 15.003 13.926 ( 13.722 1.628 8.361) 16.151 14.070 ( 5.793 18.651 -11.305) 22.566 14.702 ( -5.493 7.054 2.045) 9.172 15.628 ( 0.175 -0.058 1.327) 1.340 15.661 ( -0.051 0.125 0.217) 0.255 15.736 ( -0.448 0.851 -0.033) 0.963 15.740 ( -0.197 1.617 -0.694) 1.770 15.778 ( -0.161 0.902 0.810) 1.223 15.810 ( -0.156 -0.514 1.864) 1.940 15.984 ( -1.792 -0.068 -1.926) 2.632 16.043 ( -1.079 -0.629 -0.487) 1.341 17.260 ( 0.582 -7.714 2.056) 8.004 17.437 ( 2.994 0.556 -0.305) 3.060 17.473 ( 2.792 -0.990 -0.413) 2.991 17.606 ( -3.087 -3.629 -1.271) 4.931 17.657 ( 0.702 -8.944 3.330) 9.569 17.856 ( -2.486 -9.689 4.055) 10.794 18.039 ( 4.955 -1.019 -0.289) 5.067 18.100 ( -5.494 -2.868 -6.391) 8.902 ======================= Grid point 132 (66/80) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -13.018 4.680 -2.035) 13.983 1.166 ( 17.182 -9.114 -12.772) 23.268 1.638 ( 22.132 1.372 7.171) 23.305 1.695 ( -5.154 2.002 0.740) 5.579 1.880 ( -3.621 0.684 2.042) 4.213 1.931 ( -1.891 3.301 -2.860) 4.759 2.048 ( 1.343 3.024 -0.730) 3.388 2.059 ( -3.636 5.249 3.672) 7.366 2.127 ( -6.823 8.982 2.618) 11.580 2.180 ( -2.295 3.149 -6.466) 7.549 2.263 ( 2.293 3.276 6.344) 7.499 2.394 ( -2.564 5.224 -6.432) 8.674 2.519 ( 5.690 4.930 5.111) 9.099 2.577 ( -3.252 6.159 -2.927) 7.555 2.626 ( -2.282 7.949 1.078) 8.340 2.669 ( 1.235 1.232 -1.387) 2.229 2.744 ( -2.982 -3.806 0.614) 4.874 2.776 ( 0.255 -5.112 -2.810) 5.839 2.845 ( 0.216 3.698 4.339) 5.705 2.931 ( -1.302 4.480 -4.176) 6.261 3.206 ( 2.355 6.232 1.017) 6.739 3.259 ( -2.317 2.841 2.040) 4.195 3.310 ( 2.619 -2.110 4.512) 5.627 3.475 ( 5.311 2.596 0.804) 5.966 3.485 ( -0.741 -0.325 -2.875) 2.987 3.517 ( -4.979 -0.689 -3.368) 6.051 3.641 ( -0.129 -2.319 3.110) 3.882 3.713 ( -0.184 -0.521 -2.439) 2.501 3.728 ( 2.160 1.789 7.045) 7.583 3.843 ( 1.531 0.265 -4.507) 4.768 3.886 ( 0.698 -0.944 1.891) 2.226 3.968 ( -1.502 1.307 -4.749) 5.149 4.124 ( -1.166 1.043 1.822) 2.402 4.168 ( 0.360 -2.327 2.016) 3.100 4.199 ( -4.359 0.945 -1.878) 4.839 4.224 ( 2.694 -3.834 -0.253) 4.693 4.408 ( 2.961 1.323 2.110) 3.869 4.433 ( -1.103 -1.040 0.243) 1.535 4.475 ( -0.178 0.392 -0.294) 0.521 4.513 ( -0.903 -0.733 -2.649) 2.893 4.812 ( 1.203 -1.086 2.602) 3.066 4.850 ( -0.752 -0.786 2.526) 2.750 4.879 ( -0.455 0.928 -0.155) 1.045 4.901 ( -2.720 2.746 2.027) 4.365 4.936 ( 2.401 -1.820 -1.413) 3.328 4.976 ( -0.299 -1.016 -6.150) 6.240 5.133 ( -1.029 -2.416 2.595) 3.692 5.191 ( 2.021 -3.133 -1.939) 4.202 5.273 ( -0.805 -0.751 3.913) 4.065 5.303 ( 2.076 -2.964 2.570) 4.439 5.432 ( -0.517 0.749 -0.610) 1.095 5.523 ( -4.294 0.658 -7.385) 8.568 6.095 ( -2.440 -0.211 1.026) 2.655 6.138 ( 1.826 -0.881 -2.803) 3.460 6.317 ( 5.288 -5.124 6.238) 9.651 6.392 ( -2.688 -1.722 -0.399) 3.217 6.517 ( 0.005 -3.795 0.405) 3.817 6.550 ( -1.847 -7.269 -3.158) 8.138 6.666 ( -3.790 -3.106 5.755) 7.558 6.729 ( 1.148 -4.275 -2.886) 5.284 6.782 ( 0.948 -0.277 0.592) 1.151 6.885 ( 4.746 -1.865 -7.442) 9.022 6.918 ( 0.955 -0.936 5.981) 6.129 7.024 ( -0.357 -1.871 -4.171) 4.586 7.172 ( -1.540 1.638 3.310) 4.002 7.234 ( 1.236 0.759 -3.588) 3.870 7.348 ( 2.839 0.320 1.200) 3.099 7.392 ( 0.131 -0.614 -1.889) 1.990 7.534 ( -0.933 -1.031 -0.057) 1.392 7.579 ( -1.636 -0.121 -3.832) 4.168 7.639 ( 4.362 0.738 4.251) 6.135 7.692 ( -4.499 3.339 -0.855) 5.667 7.807 ( 3.185 -0.835 2.937) 4.412 7.890 ( -2.774 1.806 -5.392) 6.327 8.068 ( -2.957 1.470 5.204) 6.163 8.135 ( -1.217 1.743 -1.793) 2.781 8.288 ( -1.457 6.001 7.711) 9.879 8.400 ( 3.851 3.029 -1.933) 5.267 8.437 ( 0.205 4.554 0.850) 4.638 8.515 ( -0.783 5.824 -4.668) 7.504 10.444 ( -2.850 13.704 1.491) 14.077 10.473 ( 3.361 14.928 -1.633) 15.389 11.794 ( 1.058 -16.636 8.199) 18.577 11.949 ( 0.889 -17.330 -7.994) 19.106 13.355 ( 1.634 -0.712 1.592) 2.390 13.390 ( -1.008 -0.483 -1.655) 1.997 13.463 ( 0.360 0.390 2.346) 2.406 13.525 ( -4.115 -2.120 -5.118) 6.901 13.695 ( -1.968 10.515 13.696) 17.379 13.973 ( 0.890 19.095 -15.631) 24.693 14.347 ( 17.416 -3.295 10.227) 20.464 14.500 ( -14.172 8.772 -6.192) 17.780 15.658 ( 0.806 0.402 2.212) 2.388 15.687 ( 1.216 0.481 1.990) 2.382 15.709 ( -0.560 1.079 -2.695) 2.956 15.725 ( -1.223 1.442 -1.001) 2.139 15.809 ( 1.830 -0.161 2.425) 3.043 15.851 ( 1.504 -1.811 5.667) 6.137 15.873 ( -4.010 -1.095 -4.241) 5.938 15.954 ( -3.190 -1.682 -4.930) 6.108 17.389 ( 4.069 -6.056 6.744) 9.936 17.493 ( 0.748 -1.941 -3.051) 3.692 17.495 ( 2.263 -1.777 0.675) 2.955 17.522 ( -3.801 -0.125 -2.024) 4.308 17.765 ( 6.890 -6.093 4.321) 10.162 17.864 ( -8.124 -1.424 -5.711) 10.032 17.921 ( 0.037 -9.676 7.996) 12.552 18.074 ( 1.154 -4.117 -7.047) 8.242 ======================= Grid point 133 (67/80) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -8.932 6.787 1.002) 11.263 1.275 ( -24.164 10.096 -9.150) 27.741 1.374 ( 14.687 -4.992 -9.331) 18.102 1.743 ( -0.772 -4.058 -8.364) 9.329 1.897 ( -1.334 5.009 2.788) 5.886 1.946 ( -2.029 -0.247 -3.771) 4.289 2.039 ( 0.838 2.937 6.624) 7.294 2.069 ( -5.292 12.768 5.024) 14.706 2.120 ( 1.269 5.788 6.645) 8.903 2.253 ( 4.659 10.649 -0.817) 11.652 2.311 ( 4.603 -0.899 -1.455) 4.910 2.422 ( 6.191 1.451 4.638) 7.870 2.482 ( 1.147 6.342 -3.285) 7.234 2.608 ( 0.936 7.330 -4.265) 8.532 2.631 ( -1.741 5.140 1.896) 5.748 2.720 ( 0.737 -3.938 1.621) 4.321 2.746 ( -3.367 -2.544 6.635) 7.863 2.785 ( 5.106 0.253 2.608) 5.739 2.864 ( -1.077 6.818 -4.059) 8.007 2.903 ( 4.086 1.851 0.885) 4.572 3.143 ( -4.924 3.633 -1.246) 6.245 3.259 ( -3.432 5.720 1.565) 6.852 3.336 ( 1.752 1.441 -2.239) 3.187 3.451 ( 0.733 -3.029 -3.052) 4.362 3.518 ( 3.497 -3.249 0.197) 4.778 3.606 ( 3.320 -0.659 2.100) 3.983 3.665 ( 0.359 1.952 1.299) 2.372 3.689 ( 1.471 -0.198 -1.909) 2.419 3.743 ( -1.902 -0.341 -2.219) 2.942 3.801 ( -0.813 -1.899 -2.724) 3.419 3.868 ( -1.340 -3.179 -1.194) 3.651 3.980 ( 3.408 1.719 3.165) 4.958 4.111 ( -3.060 -2.047 2.540) 4.473 4.155 ( 0.737 0.236 -0.085) 0.778 4.219 ( 1.399 0.816 0.905) 1.855 4.277 ( 3.084 -1.941 -0.188) 3.649 4.352 ( -2.585 0.840 -2.282) 3.549 4.462 ( -0.389 -1.602 -3.182) 3.584 4.502 ( 0.630 1.028 2.831) 3.077 4.524 ( 4.658 -1.198 0.406) 4.826 4.721 ( -6.856 -0.597 0.343) 6.890 4.832 ( -1.981 -0.374 0.221) 2.028 4.860 ( -1.400 0.970 1.096) 2.025 4.935 ( 4.383 -3.223 3.094) 6.258 4.973 ( 3.403 2.367 -0.094) 4.146 5.040 ( 0.102 -1.022 -3.897) 4.030 5.135 ( 0.611 -0.344 -2.434) 2.533 5.184 ( -1.236 -3.508 3.258) 4.945 5.223 ( -1.231 -3.482 -0.979) 3.821 5.340 ( 0.349 -0.339 -2.689) 2.733 5.429 ( -0.543 -0.427 0.638) 0.940 5.507 ( 2.587 -0.944 9.373) 9.769 6.078 ( -1.563 0.820 2.768) 3.283 6.144 ( 1.581 -2.375 -1.757) 3.351 6.281 ( -3.341 -2.429 -4.399) 6.034 6.440 ( 0.230 -3.412 -2.074) 3.999 6.525 ( 0.743 -3.274 1.272) 3.591 6.574 ( 4.042 -4.079 3.257) 6.602 6.655 ( -1.426 -5.290 4.420) 7.039 6.736 ( 1.242 -3.963 -1.598) 4.450 6.798 ( 0.262 0.929 0.547) 1.109 6.866 ( 2.077 -0.433 -7.713) 8.000 6.972 ( 0.255 -1.744 -5.669) 5.936 6.989 ( 0.026 -1.885 3.972) 4.397 7.137 ( -5.723 -1.021 3.038) 6.559 7.239 ( 1.677 0.358 -2.368) 2.924 7.310 ( -1.372 -1.213 -5.221) 5.533 7.370 ( -1.662 0.103 0.773) 1.836 7.489 ( -8.197 0.731 -1.907) 8.448 7.576 ( -0.026 2.349 -0.095) 2.351 7.581 ( 1.847 -1.105 3.378) 4.006 7.720 ( -1.602 3.429 0.986) 3.911 7.822 ( 1.878 -2.348 -1.850) 3.530 7.946 ( 5.201 2.979 2.639) 6.549 8.076 ( 1.471 3.118 2.948) 4.536 8.131 ( -2.154 2.834 4.431) 5.684 8.322 ( -1.613 5.391 4.487) 7.197 8.371 ( 0.271 5.978 -5.650) 8.230 8.443 ( -2.094 6.593 -2.849) 7.482 8.514 ( 3.506 -2.445 0.841) 4.357 10.430 ( -0.106 13.980 1.620) 14.074 10.560 ( 8.412 14.717 -2.996) 17.214 11.814 ( -5.621 -15.369 -8.673) 18.521 11.840 ( -4.127 -16.969 4.930) 18.146 13.320 ( -1.993 0.212 -0.938) 2.213 13.410 ( 1.405 0.034 0.845) 1.640 13.478 ( 0.614 0.282 0.491) 0.835 13.561 ( 4.299 -1.672 3.959) 6.079 13.798 ( -3.304 12.281 14.728) 19.459 13.850 ( 2.533 15.920 -10.561) 19.272 14.132 ( -15.580 9.764 -10.463) 21.155 14.683 ( 10.681 -6.772 4.123) 13.302 15.666 ( -0.637 0.444 -2.564) 2.679 15.681 ( -0.717 0.676 -1.280) 1.616 15.694 ( 0.087 0.901 1.728) 1.951 15.724 ( 0.073 1.116 2.005) 2.296 15.790 ( -1.204 -0.658 -0.597) 1.496 15.872 ( -1.121 -0.741 -3.355) 3.615 15.921 ( 4.618 -0.471 4.191) 6.254 15.983 ( 5.240 -1.595 5.543) 7.793 17.348 ( -7.841 3.749 -6.447) 10.822 17.444 ( -1.873 -1.648 -0.142) 2.499 17.455 ( -1.222 -2.670 0.378) 2.960 17.572 ( 3.160 -2.717 1.974) 4.611 17.726 ( -1.587 -4.144 -3.564) 5.691 17.962 ( 4.410 -6.253 0.640) 7.678 17.989 ( 2.559 -7.297 -2.225) 8.047 17.995 ( -1.187 -8.345 4.092) 9.370 ======================= Grid point 134 (68/80) ======================= q-point: (-0.17 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 2.511 12.773 4.979) 13.938 1.013 ( -0.319 15.012 13.141) 19.954 1.398 ( -0.115 -0.241 -13.674) 13.676 1.734 ( 7.367 -3.271 -4.983) 9.476 1.870 ( -2.664 3.677 0.924) 4.634 1.929 ( 0.063 1.325 2.518) 2.846 2.035 ( -4.357 13.506 6.369) 15.555 2.091 ( -1.240 7.528 2.226) 7.947 2.162 ( 1.744 5.895 2.995) 6.839 2.286 ( 2.013 7.893 -2.236) 8.447 2.351 ( -2.277 3.135 -2.171) 4.441 2.478 ( 0.486 3.929 -1.214) 4.141 2.517 ( -2.453 6.738 -6.855) 9.920 2.575 ( -2.893 4.110 3.410) 6.074 2.619 ( 4.605 2.617 -0.279) 5.304 2.689 ( -2.490 6.238 -2.724) 7.248 2.771 ( 2.087 -4.516 3.068) 5.845 2.837 ( -0.217 4.204 6.472) 7.721 2.910 ( 3.459 0.300 -1.905) 3.960 2.989 ( 4.392 0.072 1.569) 4.664 3.072 ( -1.750 2.166 -2.202) 3.550 3.208 ( -2.566 1.648 -0.165) 3.054 3.331 ( 0.224 1.975 -1.298) 2.374 3.442 ( 0.037 -3.043 -2.732) 4.090 3.532 ( -2.717 -0.680 0.425) 2.833 3.614 ( 2.974 2.054 -2.422) 4.351 3.644 ( -2.143 3.377 -1.861) 4.411 3.693 ( 1.204 -1.770 0.673) 2.244 3.765 ( 1.344 -4.898 1.820) 5.395 3.803 ( 0.100 -5.326 3.328) 6.281 3.869 ( 3.136 -0.820 -5.304) 6.216 4.029 ( -4.784 -1.614 -2.034) 5.443 4.084 ( 2.678 0.887 0.956) 2.979 4.170 ( 1.150 -2.718 -0.872) 3.077 4.241 ( -0.923 3.092 2.741) 4.234 4.263 ( -1.326 -2.560 -3.276) 4.364 4.306 ( 0.329 -0.533 -4.322) 4.368 4.445 ( -1.008 0.139 -0.055) 1.019 4.531 ( 2.062 2.430 -0.176) 3.192 4.598 ( 0.872 1.188 3.402) 3.707 4.676 ( -0.079 -2.397 2.442) 3.423 4.841 ( 1.401 -1.959 0.659) 2.497 4.879 ( 1.415 -0.945 1.482) 2.256 4.933 ( -6.080 0.584 -4.885) 7.821 4.947 ( -1.987 0.039 -1.674) 2.598 5.021 ( 1.597 -2.121 2.009) 3.329 5.126 ( 3.304 1.843 2.444) 4.504 5.164 ( 0.664 -5.635 -1.475) 5.863 5.297 ( -1.004 -0.039 -1.932) 2.177 5.392 ( 4.079 -3.417 7.586) 9.267 5.462 ( 5.006 -10.284 2.187) 11.645 5.642 ( 1.367 -7.362 9.039) 11.738 6.089 ( 1.613 0.593 -0.569) 1.810 6.157 ( 1.448 -2.504 -0.930) 3.038 6.226 ( -1.296 2.832 0.410) 3.142 6.359 ( -2.881 0.178 -6.070) 6.722 6.537 ( -0.160 -4.295 0.548) 4.332 6.621 ( -0.729 -4.277 1.051) 4.464 6.678 ( 0.299 1.097 -0.996) 1.512 6.740 ( -0.086 -4.566 -0.451) 4.589 6.811 ( 0.305 2.124 2.867) 3.581 6.884 ( 0.578 -3.030 -4.110) 5.139 6.906 ( 1.083 -3.660 -0.215) 3.823 6.992 ( -3.015 -2.930 2.086) 4.693 7.072 ( -1.981 -0.734 1.523) 2.604 7.231 ( -2.128 -2.912 -5.703) 6.748 7.256 ( 1.623 2.518 -0.934) 3.137 7.338 ( -3.452 -0.327 -0.740) 3.545 7.379 ( 0.360 3.401 -0.045) 3.420 7.543 ( -1.805 2.582 -1.633) 3.549 7.635 ( 0.585 -0.052 1.660) 1.761 7.737 ( 0.956 2.554 1.345) 3.041 7.857 ( 1.664 0.273 2.333) 2.879 7.982 ( -0.458 3.970 -0.070) 3.997 8.106 ( -5.222 1.545 4.825) 7.276 8.182 ( 5.433 6.203 -2.458) 8.605 8.325 ( -0.527 3.839 2.268) 4.490 8.359 ( 1.890 0.959 1.229) 2.450 8.380 ( -3.122 5.575 -0.067) 6.390 8.558 ( 1.689 -4.354 -2.317) 5.213 10.471 ( 1.512 14.633 3.639) 15.155 10.690 ( 10.490 13.308 -8.418) 18.921 11.615 ( -7.257 -8.805 -3.936) 12.069 11.757 ( -7.621 -13.909 0.558) 15.870 13.308 ( 0.970 0.841 0.346) 1.329 13.439 ( 1.031 1.126 0.652) 1.660 13.517 ( 1.204 0.833 1.593) 2.163 13.552 ( -3.745 1.965 -4.042) 5.850 13.787 ( -6.714 12.803 -1.059) 14.495 13.855 ( -7.172 10.898 1.448) 13.127 14.004 ( 13.445 6.715 9.248) 17.646 14.783 ( 0.369 -9.117 -4.148) 10.023 15.648 ( 0.764 0.285 -0.917) 1.227 15.676 ( 1.624 0.767 -0.483) 1.860 15.713 ( -0.948 0.814 2.373) 2.682 15.733 ( -0.484 0.993 1.393) 1.778 15.787 ( 0.930 0.383 -0.031) 1.006 15.835 ( -0.280 0.114 -2.119) 2.141 15.981 ( -1.861 0.620 -1.203) 2.301 16.039 ( -2.787 -0.242 -2.888) 4.021 17.272 ( 2.557 5.820 5.256) 8.248 17.407 ( 0.023 -0.720 -1.675) 1.824 17.434 ( -0.979 -1.326 -0.246) 1.667 17.640 ( 1.942 -3.821 2.261) 4.846 17.698 ( 1.930 -6.428 -2.511) 7.166 17.926 ( -3.471 -6.674 -2.374) 7.888 17.956 ( 1.773 -6.790 -2.240) 7.366 18.121 ( 1.162 -10.368 4.008) 11.176 ======================= Grid point 135 (69/80) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -5.005 14.437 -2.790) 15.533 1.337 ( 6.729 18.865 -6.150) 20.952 1.672 ( 16.930 13.593 15.103) 26.448 1.830 ( 4.858 0.438 -0.759) 4.936 1.879 ( -2.398 3.203 -4.159) 5.771 1.916 ( -7.341 5.531 -5.829) 10.883 2.152 ( -3.055 4.107 1.393) 5.305 2.193 ( -5.454 6.250 -3.166) 8.879 2.327 ( -0.321 -3.053 5.650) 6.430 2.353 ( 5.024 0.198 3.358) 6.046 2.416 ( -5.922 1.957 -2.069) 6.572 2.442 ( 1.710 -0.035 -3.774) 4.143 2.523 ( -2.799 3.320 1.160) 4.494 2.593 ( 1.086 5.542 -3.839) 6.828 2.705 ( -0.272 -7.450 4.349) 8.631 2.779 ( 5.026 1.683 0.517) 5.326 2.803 ( 1.021 2.150 0.761) 2.499 2.884 ( -4.646 1.520 -5.079) 7.049 2.979 ( -0.096 2.598 7.271) 7.722 3.061 ( -2.801 8.359 2.490) 9.160 3.118 ( -5.020 1.224 -4.309) 6.728 3.151 ( 5.493 4.199 -3.260) 7.644 3.407 ( 1.397 1.650 1.688) 2.743 3.420 ( -1.054 1.612 1.429) 2.398 3.538 ( 4.618 -2.354 4.305) 6.738 3.578 ( -3.772 -4.721 4.016) 7.256 3.628 ( -4.155 -2.432 -3.509) 5.957 3.674 ( 2.217 2.524 -4.993) 6.018 3.716 ( -2.057 -4.955 3.492) 6.402 3.741 ( 3.196 -4.927 1.018) 5.960 3.857 ( 1.023 -0.673 1.221) 1.729 3.919 ( -0.141 3.974 -4.598) 6.079 4.061 ( -2.478 -3.377 1.474) 4.440 4.115 ( 1.240 -1.772 -3.882) 4.444 4.227 ( 0.103 0.608 0.671) 0.911 4.254 ( -1.190 2.245 -1.638) 3.023 4.330 ( 2.741 0.290 1.425) 3.103 4.384 ( -3.047 0.725 -3.614) 4.783 4.625 ( -0.147 -1.666 1.333) 2.139 4.640 ( 0.542 0.221 -0.106) 0.595 4.724 ( 2.681 -0.684 5.069) 5.775 4.788 ( -0.315 -1.528 -0.317) 1.592 4.824 ( 0.466 -0.182 -1.219) 1.318 4.844 ( -1.423 1.156 -2.736) 3.294 4.948 ( -2.067 -3.115 1.003) 3.871 4.983 ( 1.286 -5.813 -1.499) 6.140 5.101 ( 1.387 -0.852 2.151) 2.697 5.147 ( -0.897 -0.404 -1.553) 1.838 5.266 ( -1.230 -1.072 1.740) 2.385 5.329 ( -0.037 -3.140 -3.820) 4.945 5.421 ( 3.747 -7.283 6.428) 10.412 5.519 ( -2.392 -6.412 -3.583) 7.725 6.103 ( 0.200 -2.889 0.163) 2.900 6.117 ( 2.574 -3.186 -1.301) 4.297 6.267 ( -5.015 3.276 2.601) 6.530 6.322 ( 2.201 2.516 -3.442) 4.798 6.488 ( -2.532 -2.130 3.947) 5.150 6.561 ( 2.849 -1.532 -2.740) 4.239 6.657 ( -1.176 -1.665 1.036) 2.287 6.693 ( 2.101 -0.058 -0.929) 2.298 6.760 ( -2.979 -3.014 1.166) 4.395 6.824 ( 2.077 -3.528 -3.913) 5.663 6.903 ( 1.998 -1.714 3.211) 4.152 6.946 ( 0.123 -1.995 -1.048) 2.257 7.088 ( -2.741 1.055 1.878) 3.486 7.150 ( 3.788 0.064 -4.903) 6.197 7.316 ( -1.825 2.367 1.557) 3.370 7.334 ( 2.747 1.860 0.516) 3.358 7.479 ( 3.322 3.017 2.679) 5.227 7.539 ( -4.219 2.900 -3.415) 6.154 7.723 ( 3.571 1.796 3.362) 5.222 7.765 ( -2.311 2.044 -0.291) 3.099 7.976 ( 3.353 3.803 4.064) 6.497 8.051 ( -2.455 4.113 -3.246) 5.786 8.106 ( -5.465 4.344 5.653) 8.983 8.221 ( -1.745 0.136 -5.018) 5.314 8.334 ( -4.980 -0.651 2.870) 5.784 8.406 ( 3.241 3.058 -1.349) 4.656 8.446 ( -4.664 -3.631 1.127) 6.017 8.518 ( 9.092 2.166 -2.955) 9.802 10.785 ( -1.535 11.579 5.905) 13.089 10.921 ( 2.296 9.686 -8.764) 13.263 11.415 ( -3.326 -11.191 0.795) 11.702 11.431 ( 3.521 -8.281 -0.923) 9.045 13.387 ( 3.190 1.743 2.280) 4.291 13.438 ( -4.515 1.520 -2.807) 5.530 13.487 ( 0.398 -0.368 1.512) 1.606 13.522 ( -0.870 -0.426 -1.939) 2.168 13.910 ( -16.332 10.302 12.559) 23.034 14.117 ( 15.732 14.494 -9.801) 23.530 14.440 ( -14.322 -7.532 1.907) 16.294 14.462 ( 17.792 3.586 -0.409) 18.154 15.681 ( 0.114 0.407 0.664) 0.787 15.692 ( 0.218 -0.087 -0.319) 0.396 15.735 ( -0.407 -0.418 1.431) 1.546 15.752 ( 0.700 0.237 0.129) 0.751 15.830 ( 2.066 0.114 2.818) 3.496 15.844 ( 2.800 0.634 2.255) 3.651 15.900 ( -4.432 0.854 -3.634) 5.795 15.914 ( -4.582 0.762 -5.138) 6.926 17.392 ( -2.392 -0.195 1.669) 2.923 17.417 ( 0.980 1.706 -0.830) 2.136 17.549 ( -0.734 -5.432 2.526) 6.036 17.594 ( -1.695 -4.251 -2.051) 5.015 17.621 ( 11.906 1.617 0.328) 12.020 17.633 ( -8.884 -3.587 -0.777) 9.612 17.851 ( -9.766 -10.625 4.366) 15.077 17.938 ( 11.817 -6.942 -4.952) 14.573 ======================= Grid point 136 (70/80) ======================= q-point: ( 0.17 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -8.890 11.721 -1.737) 14.813 1.509 ( 10.352 18.782 -3.992) 21.815 1.543 ( -10.381 10.739 -14.244) 20.640 1.720 ( -6.404 3.592 -5.642) 9.259 1.905 ( -0.943 0.230 -1.073) 1.447 2.006 ( 3.325 3.325 -0.546) 4.734 2.136 ( -0.545 4.927 9.092) 10.356 2.168 ( -2.120 3.101 7.387) 8.288 2.231 ( -6.923 -1.895 -0.749) 7.217 2.355 ( -2.839 0.878 -2.691) 4.010 2.457 ( 4.414 0.733 5.448) 7.050 2.482 ( 1.811 -1.625 1.131) 2.684 2.570 ( 3.230 -1.210 1.762) 3.873 2.575 ( -0.905 2.925 -1.125) 3.262 2.635 ( -4.481 1.138 -0.175) 4.626 2.760 ( -3.278 -0.113 -3.480) 4.782 2.802 ( 0.995 1.832 -2.929) 3.595 2.871 ( -1.540 4.732 4.175) 6.496 2.948 ( -4.752 1.031 1.422) 5.066 3.028 ( -1.166 6.080 2.730) 6.766 3.152 ( 6.195 5.774 1.211) 8.555 3.205 ( 1.363 0.159 -0.255) 1.396 3.357 ( -2.452 1.654 -0.592) 3.016 3.470 ( 0.766 3.026 -0.902) 3.249 3.510 ( -1.851 -2.539 -2.198) 3.834 3.582 ( -1.228 0.507 5.768) 5.919 3.651 ( 3.861 -3.802 1.190) 5.548 3.706 ( 3.176 0.849 -2.470) 4.112 3.724 ( 0.527 -1.122 -0.994) 1.589 3.824 ( 4.815 -3.548 -3.081) 6.727 3.855 ( -2.116 5.569 -3.362) 6.841 3.909 ( 3.835 -2.841 3.345) 5.829 4.071 ( 0.719 -0.005 3.726) 3.794 4.093 ( -0.009 -1.142 -0.948) 1.484 4.217 ( -1.649 -1.232 0.748) 2.190 4.228 ( -1.735 -1.307 -0.512) 2.232 4.329 ( 1.120 3.283 -1.339) 3.719 4.428 ( 3.886 -0.577 2.691) 4.762 4.599 ( -1.547 2.826 -0.011) 3.222 4.649 ( -3.987 -0.448 -1.847) 4.417 4.696 ( -1.392 -2.121 -2.667) 3.681 4.782 ( -1.172 -3.433 2.038) 4.161 4.827 ( 2.916 -3.501 -0.631) 4.600 4.901 ( 4.926 2.570 1.743) 5.823 4.927 ( -1.479 -6.784 1.730) 7.155 4.970 ( -0.540 1.909 -1.341) 2.395 5.102 ( -0.872 -2.450 -1.735) 3.126 5.123 ( -2.225 -4.306 0.428) 4.865 5.260 ( -3.816 -1.714 2.773) 5.019 5.286 ( -0.169 -0.251 -1.126) 1.166 5.431 ( -0.762 -4.650 -4.973) 6.851 5.526 ( 1.590 -7.446 3.548) 8.400 6.076 ( -1.780 -1.392 -1.339) 2.627 6.125 ( 0.587 -3.925 -2.806) 4.860 6.245 ( -0.995 1.608 4.291) 4.689 6.361 ( 1.971 1.303 -0.134) 2.367 6.463 ( -2.709 -1.555 2.270) 3.861 6.587 ( 0.137 -2.653 0.390) 2.685 6.650 ( 0.181 -2.231 -1.969) 2.981 6.711 ( -1.831 -3.348 -0.237) 3.823 6.732 ( 3.259 2.279 -0.853) 4.067 6.847 ( 1.295 -2.434 -0.615) 2.825 6.918 ( -0.601 1.749 -2.405) 3.034 6.982 ( 4.270 -2.028 0.176) 4.731 7.064 ( 1.100 -1.094 0.467) 1.620 7.174 ( 2.328 -2.155 -3.769) 4.926 7.299 ( -0.792 2.877 0.830) 3.097 7.392 ( 2.910 0.665 -3.452) 4.564 7.440 ( -1.380 3.410 -0.436) 3.704 7.576 ( 2.181 4.813 2.417) 5.811 7.668 ( -2.955 -0.219 -2.397) 3.811 7.808 ( -1.240 5.548 1.833) 5.973 7.926 ( -2.497 -0.295 -4.418) 5.083 8.033 ( -2.543 3.324 2.363) 4.806 8.152 ( 1.905 4.026 8.641) 9.721 8.186 ( -3.007 -2.141 3.986) 5.433 8.289 ( -5.216 -0.141 5.446) 7.542 8.336 ( -3.654 -1.212 0.129) 3.852 8.483 ( 6.506 3.701 -5.422) 9.242 8.623 ( 6.615 2.916 -5.225) 8.920 10.784 ( -4.609 10.770 5.569) 12.971 10.840 ( -1.780 12.895 -6.665) 14.624 11.386 ( -0.673 -10.677 1.745) 10.839 11.532 ( 7.695 -12.147 -2.395) 14.577 13.344 ( -2.717 1.431 -1.207) 3.299 13.442 ( -3.171 -0.919 0.321) 3.317 13.499 ( 4.264 1.179 3.489) 5.634 13.552 ( 0.906 0.452 0.115) 1.019 13.782 ( -7.925 7.059 13.766) 17.382 14.087 ( -18.340 -5.307 -0.464) 19.098 14.354 ( 16.556 17.055 -13.385) 27.279 14.756 ( 14.361 4.655 -5.011) 15.907 15.649 ( -2.085 0.860 0.045) 2.256 15.687 ( -1.535 -0.189 -0.855) 1.767 15.746 ( 0.431 -0.337 0.295) 0.621 15.747 ( -0.583 -0.787 0.723) 1.218 15.809 ( -1.830 0.245 -1.654) 2.479 15.813 ( -1.303 0.483 -1.554) 2.085 15.956 ( 4.571 1.206 4.655) 6.634 15.967 ( 5.295 0.382 3.750) 6.500 17.256 ( -15.717 -6.021 2.742) 17.053 17.428 ( -2.561 -3.479 0.303) 4.330 17.446 ( -0.844 0.460 1.127) 1.481 17.461 ( -6.462 -4.913 2.219) 8.416 17.603 ( -0.639 -4.218 -1.795) 4.628 17.736 ( -4.908 -7.996 2.922) 9.827 17.881 ( 12.654 1.392 -1.286) 12.795 18.074 ( 7.649 -5.360 -6.966) 11.652 ======================= Grid point 137 (71/80) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -1.196 7.696 -0.520) 7.806 1.413 ( 6.535 10.667 -1.093) 12.557 1.476 ( -4.521 10.559 -11.147) 16.006 1.718 ( 7.915 9.099 -0.888) 12.093 1.871 ( -1.480 0.175 3.508) 3.812 1.983 ( -0.806 0.316 -0.362) 0.938 2.095 ( -7.351 -2.381 1.839) 7.943 2.130 ( -5.292 -1.702 6.610) 8.637 2.213 ( -5.100 -0.660 -0.919) 5.224 2.340 ( 3.798 3.170 1.945) 5.315 2.420 ( -5.948 -4.525 -0.636) 7.501 2.477 ( -3.119 4.398 -1.884) 5.712 2.588 ( 0.326 4.463 0.318) 4.486 2.634 ( 0.870 -1.854 2.501) 3.233 2.654 ( 2.587 3.803 2.198) 5.097 2.680 ( -1.304 -3.931 -4.576) 6.172 2.790 ( 0.401 -1.187 -2.750) 3.022 2.857 ( -4.790 3.888 1.398) 6.326 2.893 ( 1.483 9.007 0.894) 9.172 3.087 ( 0.530 1.439 3.440) 3.766 3.138 ( -2.594 6.083 -2.476) 7.061 3.298 ( 2.689 5.245 6.964) 9.124 3.341 ( 1.452 -3.128 0.529) 3.489 3.430 ( -1.480 4.466 -2.633) 5.392 3.521 ( 0.893 -3.173 1.111) 3.478 3.612 ( -2.458 0.427 5.840) 6.351 3.670 ( -1.288 1.650 -2.856) 3.541 3.697 ( 0.054 2.888 -4.703) 5.520 3.771 ( 4.348 0.878 -1.992) 4.863 3.795 ( 1.447 3.425 -2.824) 4.669 3.846 ( 2.845 0.219 -3.116) 4.225 4.022 ( 2.923 -4.256 1.807) 5.470 4.062 ( -0.591 -2.791 -0.049) 2.854 4.123 ( -0.423 2.264 0.245) 2.316 4.176 ( -3.606 -1.904 1.355) 4.297 4.235 ( 2.503 -3.691 -0.383) 4.476 4.363 ( 1.435 3.231 2.249) 4.190 4.477 ( -0.790 1.021 -1.624) 2.074 4.526 ( -2.942 0.474 -1.592) 3.378 4.584 ( -0.301 4.196 0.679) 4.261 4.717 ( 3.428 -3.279 0.601) 4.781 4.748 ( -1.977 -4.938 -0.089) 5.320 4.850 ( -1.320 -2.384 0.761) 2.829 4.950 ( 0.124 -3.315 0.957) 3.452 4.997 ( 1.579 1.129 3.341) 3.864 5.004 ( 3.027 4.253 0.078) 5.221 5.052 ( -1.308 -7.374 -0.873) 7.540 5.065 ( -0.197 -4.901 -2.396) 5.459 5.189 ( -3.121 0.967 1.513) 3.601 5.305 ( -0.216 2.131 1.677) 2.721 5.408 ( 1.113 -3.922 -1.542) 4.359 5.558 ( 0.395 -4.673 -0.541) 4.721 6.058 ( 0.402 -1.981 1.344) 2.428 6.103 ( 0.416 -3.263 -2.658) 4.229 6.250 ( -1.797 1.550 -0.489) 2.423 6.364 ( -0.920 -1.182 1.312) 1.991 6.449 ( -1.104 -2.969 1.585) 3.542 6.557 ( -6.391 -3.767 3.146) 8.058 6.624 ( 0.941 -2.722 -3.051) 4.195 6.679 ( 0.177 -3.242 -4.286) 5.377 6.788 ( 2.614 3.107 -0.036) 4.061 6.864 ( 0.338 1.090 3.067) 3.272 6.897 ( 0.263 4.393 -0.979) 4.508 7.025 ( 1.087 -0.751 -2.380) 2.722 7.140 ( 6.053 -6.174 -5.355) 10.171 7.166 ( 1.593 -2.518 1.477) 3.325 7.314 ( 2.265 3.604 -1.032) 4.380 7.408 ( 2.587 0.038 -2.371) 3.509 7.452 ( 1.072 2.072 2.307) 3.281 7.580 ( -0.891 0.409 -0.712) 1.212 7.652 ( 1.323 0.095 -0.920) 1.614 7.760 ( -4.021 2.670 2.541) 5.455 7.838 ( -2.970 0.574 -3.715) 4.791 8.025 ( -2.012 2.269 0.063) 3.033 8.118 ( -6.865 -1.528 3.421) 7.821 8.185 ( -3.632 -0.248 1.250) 3.849 8.308 ( 0.561 3.192 10.430) 10.922 8.372 ( 1.809 2.797 4.474) 5.578 8.536 ( 4.839 5.334 -5.060) 8.802 8.657 ( 3.797 4.028 -7.107) 9.008 10.740 ( -4.689 11.654 3.541) 13.052 10.763 ( -0.567 14.404 -4.027) 14.967 11.419 ( 0.529 -13.086 4.702) 13.915 11.619 ( 5.506 -16.116 -5.580) 17.921 13.316 ( 0.159 0.683 0.169) 0.721 13.400 ( -1.977 -1.421 0.710) 2.536 13.495 ( -3.269 0.501 -0.723) 3.385 13.580 ( -0.860 -1.768 -1.906) 2.738 13.824 ( -11.670 3.830 13.057) 17.926 13.953 ( 6.504 1.275 18.164) 19.336 14.446 ( 10.570 19.048 -20.630) 30.003 14.845 ( 4.931 6.761 -13.213) 15.640 15.634 ( -0.216 0.587 1.554) 1.675 15.664 ( -0.258 0.099 0.594) 0.655 15.736 ( -0.496 -0.725 -0.337) 0.941 15.758 ( 0.334 -0.201 0.416) 0.570 15.788 ( -0.764 -0.574 1.172) 1.512 15.795 ( 0.378 0.134 -1.534) 1.586 15.981 ( -3.196 -0.242 -3.027) 4.408 16.023 ( -2.712 -1.400 -2.485) 3.936 17.118 ( -4.800 -6.052 13.724) 15.748 17.367 ( -3.846 -11.232 8.952) 14.869 17.461 ( 1.847 0.061 -1.529) 2.398 17.497 ( 2.730 -0.467 4.381) 5.183 17.562 ( -1.544 -3.103 -1.569) 3.804 17.711 ( -2.167 -5.994 4.790) 7.973 18.021 ( 6.798 -0.792 -7.024) 9.807 18.051 ( -0.408 -2.102 -11.018) 11.224 ======================= Grid point 138 (72/80) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 9.969 2.239 1.839) 10.382 1.246 ( -3.552 13.715 -14.930) 20.583 1.692 ( 10.405 4.145 6.834) 13.120 1.803 ( 0.795 6.545 -5.579) 8.637 1.902 ( -0.935 2.775 4.125) 5.058 1.963 ( -1.812 0.652 -1.909) 2.712 2.032 ( -1.016 -7.726 10.925) 13.419 2.107 ( 1.270 2.345 2.406) 3.592 2.172 ( -3.363 -0.925 0.403) 3.511 2.240 ( -2.650 3.846 -8.581) 9.770 2.387 ( -1.330 0.742 3.928) 4.213 2.470 ( 0.643 2.808 -2.852) 4.053 2.593 ( -2.843 -4.496 2.896) 6.056 2.607 ( 1.409 6.367 4.554) 7.954 2.652 ( -0.487 -0.687 -3.492) 3.592 2.685 ( -1.215 -1.803 -3.663) 4.260 2.745 ( 0.456 3.487 0.519) 3.554 2.778 ( -1.984 2.705 -3.139) 4.594 2.969 ( 3.067 9.985 3.325) 10.962 3.039 ( -1.237 6.598 -3.599) 7.617 3.182 ( 0.910 -3.977 8.312) 9.260 3.307 ( -2.890 -2.744 -4.302) 5.864 3.398 ( 1.081 8.534 5.006) 9.953 3.486 ( 6.383 -2.142 5.694) 8.818 3.525 ( 1.176 4.547 -6.631) 8.126 3.549 ( -7.556 2.657 -0.779) 8.047 3.609 ( -1.982 2.906 0.892) 3.629 3.651 ( -0.030 -4.097 -2.461) 4.779 3.784 ( -0.850 1.406 1.400) 2.158 3.846 ( 3.098 -0.280 -3.236) 4.488 3.894 ( 0.901 2.468 2.650) 3.731 3.979 ( -0.960 -0.317 -4.546) 4.657 4.108 ( -4.247 -2.053 0.688) 4.767 4.128 ( 0.976 -5.054 1.337) 5.318 4.149 ( 3.949 -0.632 2.246) 4.587 4.202 ( -0.616 -1.553 -5.859) 6.093 4.410 ( -1.141 -0.103 0.502) 1.251 4.423 ( 1.381 2.167 -0.564) 2.631 4.531 ( 0.795 4.392 2.311) 5.026 4.572 ( -1.022 4.517 -1.295) 4.809 4.758 ( -0.566 -4.070 4.656) 6.209 4.817 ( -1.376 -2.199 1.231) 2.871 4.834 ( 6.289 -3.298 -0.071) 7.102 4.876 ( -4.892 -4.650 -2.722) 7.277 4.961 ( -1.262 1.832 -0.625) 2.311 4.993 ( -1.287 -0.455 -1.119) 1.765 5.077 ( -0.099 -3.001 1.221) 3.241 5.114 ( 3.772 -1.651 -1.853) 4.516 5.256 ( 3.316 -0.336 4.748) 5.801 5.286 ( -2.312 1.155 0.728) 2.685 5.433 ( 1.341 -1.006 1.893) 2.529 5.512 ( -2.364 -1.611 -5.024) 5.782 6.073 ( -0.181 -1.701 0.449) 1.769 6.108 ( 0.899 -1.926 -2.416) 3.218 6.249 ( 2.574 -2.381 5.298) 6.354 6.337 ( -3.836 -4.501 -2.310) 6.349 6.446 ( 0.418 -2.743 0.897) 2.916 6.469 ( -2.052 -1.507 0.242) 2.557 6.618 ( -1.681 -1.869 -0.320) 2.534 6.656 ( 2.647 -3.255 -3.401) 5.401 6.813 ( -0.239 2.399 1.325) 2.751 6.874 ( 1.473 1.449 -4.501) 4.953 6.926 ( -0.444 1.747 5.255) 5.556 7.013 ( 1.786 0.703 -3.107) 3.652 7.155 ( -1.160 -2.972 0.214) 3.198 7.199 ( 0.897 -4.087 -3.812) 5.661 7.357 ( 1.615 1.251 1.993) 2.854 7.416 ( 0.169 1.622 -2.813) 3.251 7.513 ( 1.600 -0.497 1.602) 2.318 7.560 ( -0.920 -1.108 -2.101) 2.547 7.651 ( 0.792 0.448 2.399) 2.565 7.707 ( -2.703 -1.354 -2.997) 4.257 7.836 ( 2.051 3.195 5.519) 6.699 7.927 ( -3.000 1.326 -4.392) 5.481 8.083 ( -2.911 0.695 4.909) 5.749 8.148 ( 1.111 -0.343 -1.656) 2.023 8.394 ( -1.865 4.718 8.161) 9.609 8.444 ( -0.214 2.386 6.845) 7.253 8.551 ( 1.945 5.926 -5.200) 8.120 8.628 ( 1.096 4.779 -7.950) 9.341 10.699 ( -2.836 12.687 2.600) 13.257 10.753 ( 3.366 14.030 -3.212) 14.782 11.479 ( -0.364 -15.780 6.536) 17.084 11.613 ( 1.231 -17.076 -7.828) 18.825 13.346 ( 1.620 -0.153 1.457) 2.184 13.375 ( -0.888 -0.868 -1.279) 1.783 13.457 ( -0.175 -0.870 0.851) 1.230 13.481 ( -2.898 -2.220 -1.944) 4.136 13.901 ( -3.564 10.476 22.392) 24.977 14.287 ( 7.485 -2.290 20.120) 21.589 14.344 ( 3.182 17.690 -23.834) 29.852 14.676 ( -5.104 8.384 -20.594) 22.813 15.665 ( 0.961 0.381 2.551) 2.753 15.692 ( 1.102 0.049 2.269) 2.523 15.720 ( -0.091 0.008 -2.002) 2.004 15.748 ( -1.309 0.738 -2.098) 2.580 15.801 ( -0.024 -1.191 2.008) 2.335 15.816 ( 1.823 -0.956 3.953) 4.457 15.846 ( -3.945 -1.582 -3.334) 5.402 15.906 ( -2.529 -3.175 -5.188) 6.587 17.275 ( 2.604 -4.971 14.312) 15.373 17.424 ( 1.010 -6.023 4.580) 7.633 17.458 ( 0.426 -1.527 -3.656) 3.985 17.504 ( -0.716 -1.748 -3.238) 3.749 17.656 ( 4.530 -3.867 10.570) 12.132 17.758 ( -0.716 -5.931 10.446) 12.033 17.868 ( -5.600 0.635 -12.694) 13.889 18.000 ( 1.756 -3.481 -13.083) 13.651 ======================= Grid point 139 (73/80) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 4.621 19.510 -12.805) 23.790 1.321 ( 12.513 0.656 2.837) 12.848 1.514 ( -13.501 12.817 -9.369) 20.841 1.759 ( -3.388 6.353 -5.445) 9.027 1.937 ( -2.279 -0.424 -1.226) 2.622 1.975 ( -2.987 1.600 1.440) 3.682 2.040 ( 4.822 -2.766 5.471) 7.800 2.184 ( 1.934 2.505 -2.819) 4.238 2.201 ( 6.494 -1.702 4.385) 8.019 2.317 ( 6.856 0.874 4.124) 8.048 2.400 ( -2.337 4.276 2.138) 5.321 2.465 ( 2.113 0.664 -0.066) 2.215 2.568 ( 1.389 1.206 -2.174) 2.848 2.633 ( -0.431 -0.623 2.542) 2.652 2.675 ( -0.981 -1.230 1.984) 2.532 2.697 ( 3.052 -1.457 2.877) 4.440 2.708 ( -1.357 2.335 -2.180) 3.471 2.811 ( 3.521 4.843 1.672) 6.217 2.992 ( 0.080 7.003 -5.273) 8.766 3.046 ( 2.140 7.276 2.560) 8.005 3.165 ( -3.346 1.124 0.429) 3.556 3.369 ( 0.920 1.574 2.096) 2.778 3.376 ( -0.151 -4.299 -2.100) 4.786 3.420 ( -4.629 5.454 0.156) 7.156 3.487 ( 0.941 2.826 -2.415) 3.834 3.588 ( -2.446 -5.215 5.887) 8.236 3.636 ( 1.666 0.727 -0.135) 1.823 3.670 ( 2.264 -0.680 2.871) 3.718 3.757 ( -1.777 1.971 0.000) 2.654 3.815 ( -0.734 -0.893 -4.130) 4.289 3.832 ( -5.649 2.376 -1.642) 6.344 3.994 ( 0.789 -1.927 2.759) 3.457 4.061 ( -0.918 -1.323 0.707) 1.759 4.117 ( -0.328 -1.797 -0.171) 1.835 4.213 ( 4.655 -2.214 -3.303) 6.122 4.237 ( 1.743 -4.486 0.037) 4.813 4.386 ( 0.101 4.464 1.344) 4.663 4.467 ( 1.197 1.739 -2.230) 3.071 4.527 ( 0.467 1.781 -0.830) 2.020 4.571 ( 0.038 4.193 1.864) 4.589 4.694 ( -5.665 -1.675 1.449) 6.083 4.788 ( -0.816 -3.760 -2.772) 4.742 4.868 ( 2.600 -2.155 1.189) 3.580 4.919 ( -1.547 1.738 2.596) 3.486 4.966 ( 4.067 -2.666 0.115) 4.864 5.011 ( 0.182 -3.392 1.932) 3.908 5.046 ( -2.980 -2.816 -0.831) 4.184 5.130 ( 1.945 -2.879 -4.512) 5.695 5.221 ( -1.552 2.373 -2.054) 3.501 5.326 ( 0.827 -0.183 0.266) 0.887 5.414 ( -2.510 -1.432 -1.660) 3.332 5.503 ( 1.705 -0.715 3.641) 4.083 6.075 ( -1.050 -1.205 1.056) 1.916 6.091 ( 0.555 -2.808 -2.137) 3.572 6.244 ( -0.850 -0.871 -1.055) 1.611 6.375 ( 2.723 -3.644 2.214) 5.059 6.468 ( 1.085 -1.928 -0.113) 2.216 6.519 ( 4.511 -2.356 4.285) 6.653 6.578 ( -1.463 -2.014 0.608) 2.562 6.684 ( 2.700 -1.941 -2.260) 4.021 6.813 ( 0.138 1.440 -0.752) 1.630 6.855 ( 0.181 -1.209 -1.976) 2.323 6.951 ( -1.122 -0.589 1.497) 1.961 7.001 ( -1.319 1.861 -4.838) 5.349 7.078 ( -5.711 -3.448 2.450) 7.107 7.180 ( -0.695 -4.640 -1.227) 4.850 7.340 ( -2.039 2.546 -4.303) 5.400 7.369 ( -2.149 -0.188 2.108) 3.016 7.502 ( -2.267 1.113 -2.814) 3.781 7.560 ( 1.439 -0.300 2.007) 2.488 7.647 ( -0.576 2.322 -0.930) 2.567 7.739 ( 1.469 -2.376 4.876) 5.620 7.821 ( 0.407 4.453 -2.306) 5.031 7.996 ( 4.397 2.121 3.180) 5.826 8.125 ( 4.860 1.985 3.213) 6.155 8.187 ( 2.159 1.416 1.161) 2.831 8.394 ( -3.116 2.454 2.264) 4.567 8.475 ( -1.006 3.506 -3.238) 4.877 8.504 ( -3.717 2.847 3.412) 5.794 8.555 ( -1.454 4.188 -5.845) 7.336 10.696 ( -0.283 13.419 2.852) 13.722 10.814 ( 6.888 11.988 -4.045) 14.405 11.511 ( -2.850 -16.143 4.614) 17.030 11.533 ( -1.702 -14.389 -6.142) 15.738 13.328 ( -0.729 0.781 -1.144) 1.565 13.405 ( 2.274 -0.617 0.243) 2.369 13.471 ( 1.424 -0.716 1.487) 2.180 13.523 ( 4.004 -2.157 3.147) 5.531 14.034 ( -7.226 11.941 22.915) 26.831 14.152 ( 2.586 14.724 -21.023) 25.796 14.323 ( -8.526 8.832 -20.450) 23.852 14.563 ( 0.735 -5.772 16.208) 17.220 15.675 ( -0.514 0.440 -2.618) 2.704 15.689 ( -0.596 0.309 -1.116) 1.302 15.707 ( -0.092 0.433 1.243) 1.319 15.732 ( -0.560 -0.107 2.413) 2.479 15.773 ( -0.829 -0.984 0.893) 1.566 15.837 ( -0.020 -2.809 -2.553) 3.796 15.913 ( 5.209 -0.207 3.466) 6.260 15.952 ( 6.134 -1.467 4.358) 7.666 17.377 ( 0.396 -0.564 -8.906) 8.933 17.393 ( 0.350 -2.383 1.779) 2.994 17.450 ( -1.166 0.458 -1.168) 1.713 17.504 ( 1.941 -4.219 2.521) 5.285 17.668 ( -3.430 -0.877 -9.126) 9.789 17.835 ( 0.664 -6.353 12.112) 13.693 17.848 ( -0.932 -5.586 9.392) 10.968 17.879 ( 0.598 -5.085 -12.123) 13.160 ======================= Grid point 140 (74/80) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 13.849 24.103 -10.069) 29.565 1.327 ( 1.209 17.087 6.193) 18.215 1.485 ( -2.210 8.368 -0.905) 8.702 1.688 ( 6.206 0.356 -3.187) 6.985 1.903 ( 0.446 0.431 -0.293) 0.686 1.970 ( -0.899 2.586 2.957) 4.030 2.191 ( 5.151 -0.990 4.727) 7.061 2.211 ( 2.051 3.406 0.276) 3.985 2.277 ( -3.393 6.837 -0.152) 7.634 2.353 ( 2.880 -0.249 -2.942) 4.125 2.424 ( -2.279 3.009 1.894) 4.223 2.520 ( 1.357 0.380 2.047) 2.486 2.588 ( -2.744 -3.255 0.251) 4.265 2.604 ( -2.855 -0.424 -2.633) 3.907 2.630 ( 4.990 -1.430 -2.553) 5.784 2.704 ( 0.650 1.421 1.005) 1.858 2.795 ( 1.801 3.641 -0.809) 4.142 2.894 ( 4.122 4.059 3.927) 6.993 2.939 ( 0.064 3.304 -1.904) 3.814 3.066 ( -2.398 3.974 1.496) 4.877 3.142 ( 0.448 6.798 -1.532) 6.983 3.285 ( -6.914 3.361 -4.402) 8.859 3.349 ( 1.950 0.099 1.398) 2.402 3.432 ( 1.057 2.305 -0.461) 2.577 3.475 ( -4.053 -3.463 3.044) 6.139 3.616 ( 0.170 -5.249 4.975) 7.234 3.644 ( -3.044 -3.297 3.072) 5.438 3.683 ( 0.371 -2.670 2.284) 3.533 3.711 ( -0.026 3.583 -6.217) 7.176 3.758 ( -2.118 1.616 2.178) 3.441 3.837 ( 1.851 -2.507 -1.150) 3.322 3.969 ( -2.165 -1.946 -2.048) 3.559 4.085 ( 0.275 -2.264 -0.090) 2.283 4.119 ( 0.275 -0.294 0.214) 0.456 4.219 ( 0.193 -2.183 -1.266) 2.531 4.272 ( 3.868 -1.905 -3.213) 5.377 4.335 ( -3.798 5.240 -2.439) 6.916 4.465 ( -1.448 1.476 -1.404) 2.500 4.587 ( 4.442 0.454 3.125) 5.450 4.591 ( 1.404 1.858 0.869) 2.485 4.658 ( -1.207 -1.459 2.845) 3.418 4.787 ( 1.842 -3.244 0.141) 3.734 4.836 ( -3.802 -2.911 -0.566) 4.822 4.929 ( -3.525 -0.256 -1.121) 3.708 4.953 ( 0.013 -2.446 -1.720) 2.990 5.014 ( -1.377 -0.274 -4.407) 4.626 5.040 ( 2.221 -1.100 3.063) 3.941 5.111 ( 3.359 -3.844 2.091) 5.516 5.284 ( 4.936 -1.993 0.756) 5.376 5.303 ( -1.915 1.173 -2.085) 3.064 5.379 ( -0.995 -3.692 -0.054) 3.824 5.548 ( 0.356 -3.946 1.118) 4.117 6.070 ( 1.542 -2.171 -0.354) 2.686 6.094 ( 0.760 -3.798 0.022) 3.873 6.276 ( 1.356 3.013 2.126) 3.929 6.375 ( -1.437 1.066 -3.177) 3.646 6.479 ( -0.145 -1.861 1.204) 2.222 6.553 ( 0.317 -2.116 -0.330) 2.165 6.649 ( 0.941 -3.762 3.994) 5.567 6.694 ( -0.170 0.290 -1.671) 1.704 6.812 ( 1.661 -3.031 -5.739) 6.699 6.840 ( -4.182 -2.723 0.003) 4.990 6.858 ( -0.158 -0.712 1.868) 2.006 6.950 ( -2.754 -1.904 2.464) 4.157 7.068 ( 2.227 0.865 -0.220) 2.399 7.164 ( -0.182 -2.771 -1.764) 3.290 7.302 ( 0.102 1.928 -0.337) 1.960 7.340 ( -2.551 0.430 1.877) 3.196 7.447 ( -0.913 3.117 -1.142) 3.443 7.615 ( 2.609 3.360 -0.112) 4.255 7.622 ( -0.939 -0.633 0.764) 1.366 7.788 ( -1.993 0.784 5.549) 5.948 7.867 ( 5.096 3.590 -0.149) 6.235 8.061 ( 2.130 4.095 -0.221) 4.621 8.187 ( -5.809 6.008 4.826) 9.650 8.286 ( 7.079 3.074 -2.702) 8.177 8.355 ( -1.036 0.884 -4.076) 4.298 8.376 ( 0.858 -0.882 -3.085) 3.321 8.463 ( -2.125 2.511 -4.121) 5.273 8.499 ( -5.136 -0.818 7.113) 8.812 10.738 ( 0.706 13.036 4.364) 13.765 10.901 ( 7.677 9.398 -6.825) 13.923 11.436 ( -1.867 -9.678 -3.595) 10.491 11.485 ( -4.776 -13.926 2.610) 14.952 13.331 ( 1.614 1.580 0.044) 2.259 13.443 ( 2.104 -0.782 0.076) 2.246 13.523 ( 0.367 0.185 1.228) 1.295 13.566 ( -1.761 -0.398 -0.941) 2.036 14.035 ( -8.354 12.374 6.257) 16.188 14.063 ( -2.374 10.290 -4.566) 11.505 14.164 ( 13.474 8.552 -6.657) 17.292 14.617 ( -8.719 -8.196 9.548) 15.309 15.660 ( 0.875 0.972 -0.957) 1.620 15.686 ( 1.394 0.246 -0.800) 1.625 15.726 ( -0.447 0.663 2.664) 2.781 15.735 ( -0.914 -0.467 1.550) 1.859 15.789 ( 1.513 -0.229 0.703) 1.684 15.818 ( 0.340 -1.906 -1.972) 2.763 15.991 ( -0.770 0.426 -0.154) 0.894 16.029 ( -1.486 -0.742 -1.207) 2.053 17.353 ( 9.079 1.600 -7.121) 11.649 17.409 ( -0.299 -1.062 1.249) 1.666 17.436 ( -0.212 4.112 0.621) 4.165 17.553 ( 2.150 -5.012 -0.012) 5.454 17.587 ( 1.819 -4.371 -4.166) 6.306 17.808 ( -4.543 -5.237 0.924) 6.995 17.837 ( 0.956 -5.602 -3.086) 6.466 17.929 ( -4.226 -8.843 8.358) 12.881 ======================= Grid point 141 (75/80) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -11.819 17.696 5.579) 21.999 1.719 ( 8.929 15.507 -3.602) 18.253 1.832 ( 5.093 1.617 3.092) 6.173 1.898 ( -0.864 -0.475 2.843) 3.009 1.946 ( 6.490 5.787 -0.426) 8.705 1.979 ( -1.812 1.034 3.061) 3.704 2.127 ( -4.608 -6.021 3.836) 8.497 2.203 ( 2.195 -9.822 -3.582) 10.683 2.264 ( 2.586 4.193 2.565) 5.554 2.333 ( -7.911 3.335 -3.627) 9.320 2.399 ( -4.632 -3.644 -1.491) 6.079 2.422 ( 2.439 -3.303 -2.468) 4.790 2.544 ( 2.624 -1.591 1.712) 3.514 2.583 ( -3.792 -1.474 -1.902) 4.491 2.661 ( 1.477 -0.236 -3.829) 4.111 2.683 ( 8.854 -3.790 -4.823) 10.771 2.955 ( 0.444 9.267 3.647) 9.969 3.014 ( -4.034 7.905 -1.837) 9.063 3.053 ( -0.274 3.438 5.114) 6.168 3.125 ( -4.161 -1.276 0.833) 4.431 3.174 ( -2.373 1.890 -0.975) 3.187 3.175 ( 3.645 -1.554 -1.653) 4.293 3.336 ( 0.829 -4.341 3.059) 5.375 3.396 ( -2.566 -7.192 -2.457) 8.022 3.539 ( -1.283 3.752 5.335) 6.647 3.565 ( -0.345 0.658 3.833) 3.905 3.587 ( -0.215 3.055 -1.751) 3.528 3.642 ( 1.858 -3.335 1.809) 4.224 3.681 ( 2.104 -0.143 1.493) 2.584 3.724 ( 1.504 -0.810 -1.662) 2.383 3.837 ( -2.138 0.324 0.383) 2.196 3.909 ( 1.148 -4.683 -5.084) 7.007 4.074 ( 0.059 3.861 1.900) 4.304 4.119 ( -0.021 0.336 -2.381) 2.405 4.237 ( 0.288 1.361 0.476) 1.471 4.275 ( 1.187 -1.298 -3.288) 3.729 4.372 ( -1.746 5.204 2.439) 6.006 4.442 ( 0.115 5.335 -4.682) 7.099 4.511 ( -1.485 -7.853 2.690) 8.432 4.577 ( 0.344 -6.388 -3.934) 7.510 4.719 ( 0.816 0.621 3.995) 4.124 4.756 ( 0.731 -3.317 1.785) 3.837 4.793 ( 0.596 -0.307 -2.342) 2.436 4.817 ( -0.111 -3.320 -2.827) 4.362 4.967 ( 1.846 6.035 2.083) 6.646 5.016 ( -2.357 5.526 -3.155) 6.785 5.092 ( -0.445 -2.414 1.872) 3.087 5.122 ( 0.938 -2.142 -0.729) 2.450 5.272 ( 0.274 0.663 0.321) 0.786 5.304 ( -0.365 1.237 -1.584) 2.043 5.322 ( 1.259 -2.732 3.195) 4.388 5.401 ( -2.563 -5.885 -4.137) 7.636 6.053 ( 1.001 -1.440 0.611) 1.857 6.061 ( 1.589 -2.085 -0.112) 2.624 6.320 ( -4.049 2.012 1.489) 4.760 6.344 ( -0.965 -0.409 -1.093) 1.515 6.485 ( -3.258 1.975 4.786) 6.117 6.539 ( -2.419 -2.220 4.008) 5.181 6.649 ( 4.072 2.316 -6.037) 7.641 6.703 ( 3.814 -0.279 -3.976) 5.517 6.730 ( -1.197 -0.263 0.318) 1.266 6.754 ( 3.956 -3.153 -3.945) 6.415 6.858 ( 0.995 -1.626 1.542) 2.452 6.877 ( 1.515 -3.553 -0.980) 3.985 7.127 ( -2.432 2.063 2.463) 4.029 7.151 ( 0.426 -0.374 0.089) 0.574 7.354 ( -0.058 1.383 1.081) 1.756 7.362 ( 1.721 0.601 0.556) 1.906 7.537 ( 2.824 2.712 2.230) 4.505 7.568 ( -1.525 -0.140 -0.661) 1.668 7.747 ( 1.298 1.162 3.801) 4.181 7.771 ( -1.262 -1.031 2.182) 2.723 8.069 ( 4.381 5.401 2.617) 7.430 8.131 ( -1.624 2.177 -1.527) 3.116 8.182 ( -7.510 1.802 -2.989) 8.282 8.196 ( -3.730 -1.574 -5.064) 6.483 8.323 ( -6.046 0.844 5.381) 8.137 8.376 ( -6.399 -3.581 5.005) 8.878 8.472 ( 6.480 3.326 -3.266) 7.982 8.524 ( 9.691 -1.569 -4.452) 10.779 10.994 ( -2.325 10.389 4.536) 11.572 11.092 ( 3.092 7.998 -5.941) 10.432 11.204 ( -2.908 -10.146 2.911) 10.949 11.266 ( 3.437 -8.667 -3.656) 10.015 13.425 ( 2.758 2.119 1.901) 3.964 13.461 ( 0.147 -0.807 0.973) 1.273 13.472 ( -2.126 0.731 -2.018) 3.021 13.502 ( -1.947 -1.519 -2.248) 3.339 14.098 ( -19.761 9.044 15.180) 26.509 14.249 ( -14.795 -5.470 8.921) 18.122 14.396 ( 15.872 7.140 -10.231) 20.189 14.494 ( 22.834 -1.518 -10.639) 25.236 15.693 ( -0.469 0.577 0.169) 0.762 15.697 ( 0.685 0.632 -0.291) 0.976 15.721 ( -0.716 -0.389 1.084) 1.356 15.740 ( -0.127 -1.475 -1.250) 1.938 15.835 ( 3.995 0.536 3.908) 5.614 15.846 ( 3.666 -0.397 3.023) 4.769 15.913 ( -4.946 0.548 -3.814) 6.270 15.920 ( -4.594 -0.077 -4.203) 6.227 17.393 ( -6.352 0.745 3.864) 7.472 17.435 ( -3.664 -2.610 1.763) 4.832 17.460 ( -1.110 0.627 0.872) 1.544 17.514 ( 2.898 -3.746 -2.454) 5.335 17.609 ( -11.559 1.403 4.004) 12.313 17.676 ( -4.224 -3.282 2.897) 6.083 17.713 ( 8.336 2.297 -2.357) 8.962 17.814 ( 13.672 -6.011 -7.227) 16.591 ======================= Grid point 142 (76/80) ======================= q-point: ( 0.17 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -13.944 20.908 9.161) 26.749 1.734 ( -10.083 3.336 -6.425) 12.413 1.764 ( -8.154 1.541 -2.207) 8.587 1.836 ( 1.837 9.442 -5.065) 10.871 1.889 ( -2.751 -0.773 0.203) 2.865 2.021 ( -3.814 -4.226 3.232) 6.547 2.092 ( -3.612 -0.580 0.243) 3.666 2.139 ( -3.890 -4.257 -1.391) 5.932 2.246 ( 2.150 1.506 4.400) 5.124 2.357 ( 0.489 -7.909 2.866) 8.427 2.395 ( -2.279 3.196 -2.511) 4.660 2.452 ( -1.561 0.803 2.289) 2.884 2.492 ( 0.976 -2.080 1.314) 2.647 2.569 ( 3.524 -5.495 -0.929) 6.594 2.683 ( 3.723 2.185 -5.885) 7.299 2.718 ( 1.438 -1.300 -6.607) 6.886 2.915 ( -4.600 7.142 2.216) 8.779 2.984 ( -6.462 1.306 2.449) 7.033 3.033 ( 1.253 8.373 2.509) 8.830 3.119 ( -0.521 -0.315 1.703) 1.809 3.183 ( 2.703 2.330 1.667) 3.939 3.256 ( 5.450 1.753 -0.078) 5.725 3.320 ( -1.913 -4.268 -1.351) 4.868 3.388 ( 0.011 -5.900 3.642) 6.934 3.567 ( -1.686 3.486 1.224) 4.061 3.598 ( 0.638 2.351 2.509) 3.497 3.612 ( 3.413 -0.008 -0.450) 3.442 3.700 ( 3.663 -5.125 -0.850) 6.357 3.747 ( 4.961 2.309 -1.989) 5.822 3.762 ( 7.343 1.595 -5.072) 9.066 3.853 ( 1.525 -0.746 3.307) 3.718 3.916 ( 2.432 -3.536 -2.139) 4.795 4.082 ( -0.838 2.129 -2.808) 3.622 4.098 ( 0.784 1.129 2.056) 2.473 4.217 ( -2.153 0.637 -0.183) 2.253 4.232 ( -2.427 0.840 -2.142) 3.344 4.396 ( -0.080 3.918 2.542) 4.671 4.445 ( 3.224 3.771 0.119) 4.963 4.539 ( 0.343 -7.792 4.414) 8.962 4.570 ( 1.885 -6.640 -1.345) 7.032 4.706 ( -3.892 2.637 -3.901) 6.109 4.747 ( -5.295 -0.005 -1.245) 5.439 4.788 ( 2.301 -1.311 0.148) 2.652 4.803 ( 2.507 -3.904 1.239) 4.803 4.950 ( 0.493 2.724 0.013) 2.768 5.029 ( -3.638 -4.354 0.453) 5.692 5.051 ( 0.412 4.388 0.802) 4.479 5.098 ( -2.017 0.656 -0.780) 2.260 5.255 ( -2.365 0.486 -0.758) 2.530 5.306 ( 0.213 -1.033 -0.604) 1.215 5.345 ( 1.476 -0.472 -0.441) 1.611 5.418 ( 2.885 -4.716 3.732) 6.671 6.047 ( -0.819 -0.944 -1.790) 2.183 6.058 ( -0.112 -2.304 -2.176) 3.171 6.293 ( -2.072 2.857 4.761) 5.926 6.342 ( -0.963 -2.193 2.918) 3.775 6.464 ( -3.488 1.509 3.334) 5.055 6.523 ( -4.699 -4.066 5.805) 8.503 6.646 ( 2.101 2.028 -7.915) 8.436 6.678 ( -0.163 -1.017 -4.389) 4.508 6.777 ( 5.838 1.835 -3.054) 6.839 6.808 ( 5.841 -1.548 -1.982) 6.359 6.908 ( 4.543 -0.929 -3.014) 5.530 6.935 ( 5.945 -3.018 -1.794) 6.904 7.083 ( -4.062 2.719 2.310) 5.407 7.133 ( -2.592 -2.218 0.598) 3.463 7.351 ( -0.126 2.343 -0.439) 2.387 7.385 ( 1.392 -1.156 -1.589) 2.408 7.515 ( -1.385 4.265 -1.339) 4.680 7.591 ( 0.747 -3.109 -0.536) 3.242 7.731 ( -1.301 6.377 -1.194) 6.617 7.845 ( 2.967 -4.249 -2.000) 5.555 7.963 ( -8.498 5.985 0.311) 10.399 8.060 ( -5.794 -2.475 3.470) 7.193 8.160 ( -4.756 2.104 4.539) 6.903 8.213 ( 0.763 -0.399 8.425) 8.469 8.270 ( -6.092 0.416 4.581) 7.633 8.310 ( 1.192 -1.885 3.790) 4.397 8.573 ( 8.691 4.705 -7.161) 12.205 8.637 ( 8.383 -1.549 -6.938) 10.992 10.981 ( -3.665 9.943 4.323) 11.445 11.071 ( 1.049 10.869 -5.640) 12.290 11.183 ( -2.468 -9.752 3.140) 10.538 11.300 ( 4.140 -11.760 -4.304) 13.190 13.376 ( -3.176 1.878 -0.920) 3.803 13.413 ( -3.426 -1.847 -0.312) 3.904 13.523 ( 3.652 1.316 1.773) 4.268 13.547 ( 2.643 -0.947 0.488) 2.850 13.903 ( -15.118 5.400 15.870) 22.574 13.994 ( -19.400 -4.391 11.353) 22.903 14.645 ( 22.178 12.027 -18.543) 31.311 14.787 ( 21.763 -2.448 -16.341) 27.325 15.671 ( -1.906 1.361 0.074) 2.343 15.685 ( -1.524 0.002 -0.334) 1.560 15.722 ( -0.567 -1.204 1.440) 1.960 15.726 ( -0.591 -1.450 0.048) 1.566 15.814 ( -1.476 0.374 -3.023) 3.384 15.819 ( -1.560 -0.045 -2.523) 2.966 15.971 ( 4.813 0.361 4.447) 6.563 15.972 ( 4.660 0.176 3.184) 5.647 17.190 ( -19.747 -0.188 9.705) 22.004 17.258 ( -17.781 -7.146 10.493) 21.848 17.470 ( 1.125 2.113 -1.402) 2.774 17.505 ( -0.740 2.044 0.194) 2.182 17.533 ( -0.488 -1.611 -0.539) 1.767 17.606 ( -2.992 -5.654 3.219) 7.161 17.920 ( 13.210 2.659 -6.726) 15.060 17.984 ( 11.455 -3.978 -8.670) 14.907 ======================= Grid point 143 (77/80) ======================= q-point: ( 0.33 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -12.507 20.527 10.736) 26.326 1.580 ( -2.939 1.533 -1.181) 3.519 1.657 ( 0.412 6.823 -2.914) 7.431 1.734 ( -5.848 -10.856 5.893) 13.667 1.864 ( -1.665 3.245 1.552) 3.963 1.986 ( -4.201 -4.612 6.193) 8.790 2.057 ( -1.271 1.700 -2.990) 3.667 2.126 ( 1.767 4.723 -0.969) 5.135 2.204 ( -4.032 -0.389 -3.268) 5.205 2.284 ( -6.854 -4.793 1.771) 8.549 2.395 ( 2.919 1.773 0.510) 3.453 2.470 ( 3.922 -5.114 -0.499) 6.464 2.595 ( 2.176 -1.735 -0.595) 2.846 2.602 ( 2.383 -1.467 -2.886) 4.020 2.627 ( -3.057 1.188 -4.904) 5.899 2.690 ( 1.894 -3.264 -2.938) 4.783 2.844 ( -5.294 7.883 2.720) 9.878 2.928 ( -4.103 1.005 1.754) 4.574 3.057 ( 0.762 6.909 1.429) 7.096 3.149 ( 0.854 -1.383 2.007) 2.583 3.192 ( -1.113 3.077 -1.802) 3.736 3.262 ( -0.644 -3.522 -3.534) 5.030 3.389 ( 3.696 4.344 4.547) 7.294 3.450 ( 3.238 -2.046 3.586) 5.248 3.532 ( -2.212 3.289 0.564) 4.003 3.601 ( -0.628 -3.373 -1.228) 3.644 3.661 ( 0.635 3.176 1.144) 3.435 3.744 ( 2.010 -2.977 -1.342) 3.834 3.814 ( 4.437 4.319 -3.399) 7.064 3.831 ( 2.889 1.665 -3.567) 4.883 3.912 ( 1.436 1.080 -0.796) 1.966 3.934 ( 3.708 -2.984 -0.518) 4.788 4.036 ( -1.877 2.006 -1.580) 3.169 4.122 ( -0.946 -4.285 -1.572) 4.662 4.159 ( -1.769 0.968 -2.593) 3.284 4.181 ( 0.684 -1.214 -2.838) 3.162 4.433 ( -0.266 4.699 5.079) 6.924 4.505 ( 1.095 0.871 2.417) 2.793 4.569 ( -2.185 2.605 -1.824) 3.859 4.605 ( 1.285 -4.342 5.692) 7.273 4.643 ( -0.929 -2.236 -1.769) 2.998 4.654 ( 2.047 -2.369 0.731) 3.215 4.820 ( -1.323 0.135 1.312) 1.869 4.864 ( -0.466 -4.134 2.151) 4.683 4.947 ( 0.096 -1.722 -1.069) 2.029 4.970 ( -0.641 -3.388 -1.373) 3.712 5.066 ( 0.426 3.801 -0.535) 3.862 5.097 ( 2.046 2.228 -0.003) 3.025 5.217 ( -0.780 2.425 1.725) 3.076 5.309 ( 1.189 -5.848 0.122) 5.969 5.379 ( 0.471 5.056 1.418) 5.272 5.475 ( 0.740 -4.519 1.182) 4.729 6.030 ( 0.461 -0.578 0.086) 0.744 6.046 ( 0.975 -2.181 -1.041) 2.606 6.289 ( -3.150 2.183 0.669) 3.891 6.330 ( -2.779 -2.071 0.753) 3.546 6.425 ( -3.203 0.734 2.753) 4.286 6.474 ( -5.830 -3.961 4.578) 8.405 6.605 ( 1.955 0.473 -5.963) 6.293 6.631 ( 0.401 -1.988 -5.341) 5.713 6.838 ( 2.470 3.210 -0.382) 4.068 6.907 ( 4.131 -0.587 0.270) 4.182 6.954 ( 3.897 1.337 -4.582) 6.162 7.007 ( 2.645 -0.711 -2.663) 3.820 7.067 ( 2.660 -0.118 0.250) 2.675 7.108 ( 0.345 -2.917 0.430) 2.968 7.359 ( 1.732 1.623 -0.475) 2.421 7.393 ( 1.818 -1.593 -2.004) 3.140 7.511 ( 0.326 3.975 1.153) 4.152 7.582 ( -0.782 -2.455 -1.210) 2.846 7.674 ( -1.721 3.924 -1.546) 4.555 7.754 ( -5.305 -3.203 -4.032) 7.393 7.900 ( -3.728 5.397 3.335) 7.359 8.004 ( -6.479 -4.555 3.914) 8.835 8.115 ( -2.584 2.069 2.231) 3.992 8.160 ( -4.135 -2.153 1.771) 4.987 8.374 ( 1.740 2.907 9.975) 10.535 8.403 ( 1.252 0.060 7.711) 7.812 8.636 ( 6.393 4.506 -7.833) 11.069 8.690 ( 5.648 -0.690 -8.313) 10.074 10.954 ( -3.457 10.986 3.895) 12.158 11.034 ( 1.022 13.585 -5.167) 14.570 11.179 ( -1.871 -11.459 4.158) 12.332 11.318 ( 3.015 -14.995 -5.765) 16.345 13.337 ( -0.893 1.410 0.374) 1.710 13.368 ( -1.737 -1.750 0.666) 2.554 13.506 ( -3.723 0.870 -1.953) 4.293 13.535 ( -3.643 -2.180 -2.886) 5.133 13.909 ( -6.566 4.026 22.466) 23.750 13.959 ( -1.020 -1.026 23.368) 23.413 14.765 ( 14.856 13.049 -27.514) 33.882 14.909 ( 13.521 -1.484 -25.755) 29.126 15.650 ( -0.738 1.062 1.551) 2.019 15.664 ( -0.539 -0.139 1.186) 1.310 15.717 ( -0.505 -0.797 0.324) 0.997 15.729 ( -0.435 -1.874 1.409) 2.385 15.788 ( 0.824 0.390 -2.015) 2.211 15.796 ( 0.811 -0.260 -1.991) 2.165 15.979 ( -4.737 0.254 -3.469) 5.877 15.994 ( -4.746 -1.312 -3.486) 6.033 17.063 ( -8.558 0.946 22.169) 23.782 17.158 ( -7.871 -8.663 20.514) 23.618 17.468 ( 0.876 0.993 -2.721) 3.026 17.499 ( 0.024 -1.924 -2.617) 3.248 17.540 ( 0.650 2.527 4.028) 4.799 17.611 ( -0.900 -4.489 4.826) 6.652 18.012 ( 6.525 -0.052 -11.647) 13.350 18.021 ( 4.026 -0.982 -12.977) 13.623 ======================= Grid point 144 (78/80) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -2.093 15.796 13.153) 20.661 1.509 ( 1.287 6.142 -8.307) 10.411 1.665 ( -3.355 -5.377 5.778) 8.577 1.804 ( 6.048 -6.418 -3.936) 9.657 1.907 ( 2.006 1.651 8.520) 8.908 1.967 ( -3.231 -3.738 0.834) 5.011 2.026 ( 2.079 7.062 2.992) 7.947 2.132 ( 0.967 2.760 -5.717) 6.421 2.202 ( 0.723 2.213 2.608) 3.496 2.230 ( 0.804 -4.755 5.689) 7.457 2.398 ( -2.024 4.174 -5.831) 7.451 2.481 ( 0.870 -2.562 -7.989) 8.435 2.538 ( -1.582 -0.450 1.877) 2.495 2.585 ( -0.753 -3.565 -1.309) 3.872 2.606 ( 0.689 -1.242 -1.473) 2.047 2.692 ( 2.464 -6.673 -5.837) 9.201 2.816 ( -2.182 8.109 4.949) 9.747 2.866 ( -2.088 3.637 0.748) 4.260 3.120 ( 2.784 1.858 4.938) 5.965 3.149 ( 0.208 3.144 -2.105) 3.790 3.170 ( -0.920 3.668 0.720) 3.850 3.223 ( -1.144 -3.618 -1.693) 4.155 3.433 ( -0.873 0.402 2.300) 2.493 3.497 ( -0.384 -3.935 -3.481) 5.268 3.550 ( -2.682 1.563 1.630) 3.506 3.571 ( 1.608 0.841 2.241) 2.883 3.671 ( -0.751 5.183 3.634) 6.375 3.711 ( -2.823 2.347 -1.458) 3.950 3.812 ( -0.587 2.079 -0.893) 2.338 3.836 ( 0.246 1.112 -2.832) 3.052 3.933 ( 0.259 -1.357 0.222) 1.399 3.984 ( 0.233 1.891 -2.932) 3.497 4.009 ( 1.844 -4.082 2.576) 5.167 4.097 ( 0.891 -3.984 -2.741) 4.917 4.103 ( -0.832 0.875 -2.693) 2.951 4.159 ( 1.479 -2.962 -5.467) 6.391 4.462 ( -0.929 5.363 3.668) 6.563 4.510 ( 0.662 6.272 -0.806) 6.358 4.569 ( -0.480 -3.053 3.177) 4.432 4.618 ( 0.336 -1.982 -1.441) 2.474 4.700 ( 2.618 0.745 4.605) 5.350 4.753 ( 1.834 -3.793 -0.792) 4.287 4.778 ( -0.816 -1.293 2.326) 2.783 4.798 ( -3.450 -2.679 0.523) 4.400 4.956 ( 0.550 -0.709 0.081) 0.901 4.964 ( -0.404 -1.440 -0.607) 1.613 5.069 ( 0.400 2.107 -0.714) 2.261 5.111 ( 1.634 -1.208 -4.285) 4.742 5.279 ( 2.472 2.836 4.005) 5.495 5.320 ( -0.991 0.573 -0.434) 1.225 5.409 ( 1.171 0.123 3.010) 3.232 5.461 ( -1.714 -3.563 -1.946) 4.406 6.056 ( 1.254 0.123 0.733) 1.458 6.074 ( 1.392 -1.498 -0.587) 2.128 6.221 ( -1.228 -0.088 0.637) 1.386 6.253 ( -3.683 -3.352 -1.932) 5.341 6.427 ( 0.181 0.155 2.939) 2.949 6.442 ( -1.329 -1.262 2.340) 2.972 6.594 ( 0.832 -0.470 -3.879) 3.995 6.606 ( 2.957 -1.738 -4.259) 5.469 6.865 ( -0.648 3.318 3.098) 4.586 6.931 ( -2.247 -2.449 3.881) 5.110 6.938 ( -0.581 4.686 -4.469) 6.501 7.022 ( 2.594 -2.091 -5.034) 6.037 7.107 ( -1.610 -0.351 0.846) 1.852 7.130 ( 1.377 -1.959 -1.136) 2.650 7.380 ( 0.465 1.122 -0.123) 1.221 7.411 ( 1.537 -1.814 -2.837) 3.702 7.532 ( 0.590 2.031 1.913) 2.852 7.555 ( -0.726 -0.018 -0.481) 0.871 7.655 ( -0.963 0.167 0.234) 1.005 7.673 ( -0.344 -1.727 -1.294) 2.185 7.895 ( 0.506 2.651 3.706) 4.585 7.930 ( -1.848 -0.891 0.362) 2.083 8.103 ( -0.572 1.259 1.426) 1.986 8.129 ( 0.546 -1.367 -0.846) 1.698 8.462 ( -2.672 2.235 8.982) 9.634 8.477 ( -2.235 0.672 9.494) 9.776 8.646 ( 2.767 3.633 -7.824) 9.059 8.679 ( 2.145 0.427 -8.808) 9.076 10.938 ( -2.155 12.452 3.706) 13.169 11.018 ( 2.647 13.560 -4.833) 14.637 11.195 ( -1.370 -13.521 4.981) 14.474 11.301 ( 1.929 -15.243 -6.484) 16.677 13.349 ( 1.127 0.400 0.932) 1.516 13.360 ( 0.238 -0.680 -0.051) 0.722 13.441 ( -1.103 -0.445 -0.271) 1.220 13.448 ( -2.046 -1.134 -0.859) 2.492 14.085 ( -3.442 8.350 27.754) 29.186 14.215 ( -0.018 -5.078 27.630) 28.093 14.646 ( 4.757 12.072 -32.617) 35.103 14.768 ( 2.271 -0.203 -32.170) 32.251 15.678 ( 1.277 1.132 2.321) 2.881 15.692 ( 0.870 0.097 2.220) 2.386 15.710 ( -0.054 -0.674 -0.393) 0.782 15.730 ( -0.231 -2.295 -0.592) 2.381 15.792 ( -1.004 0.772 0.452) 1.344 15.813 ( 2.596 -0.807 -0.714) 2.811 15.822 ( -5.530 0.070 -0.923) 5.607 15.848 ( -2.715 -2.354 -2.878) 4.604 17.226 ( 0.471 0.414 19.119) 19.130 17.293 ( -0.040 -6.096 15.785) 16.921 17.445 ( 0.646 0.236 -5.140) 5.186 17.466 ( 0.404 -1.801 -4.532) 4.893 17.631 ( 1.455 0.753 10.495) 10.622 17.671 ( -0.327 -3.253 10.135) 10.650 17.894 ( -1.602 1.967 -16.202) 16.399 17.940 ( 1.033 -2.734 -16.237) 16.498 ======================= Grid point 145 (79/80) ======================= q-point: (-0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 4.572 9.345 11.499) 15.506 1.498 ( 8.803 17.284 -11.384) 22.490 1.627 ( -4.714 -2.571 3.809) 6.584 1.843 ( 3.305 -12.002 -4.121) 13.113 1.948 ( 0.454 4.816 -1.642) 5.109 1.978 ( -5.139 11.944 -3.829) 13.555 2.067 ( 4.372 -6.283 2.747) 8.132 2.087 ( 3.879 3.277 -0.279) 5.086 2.232 ( 1.560 0.659 -2.376) 2.917 2.341 ( 7.776 -2.384 0.415) 8.143 2.371 ( -2.192 -4.653 -2.711) 5.814 2.410 ( -0.668 -3.004 2.852) 4.195 2.557 ( 0.629 -0.181 1.468) 1.607 2.601 ( 2.186 0.820 -1.660) 2.864 2.613 ( -0.268 -4.652 3.195) 5.649 2.674 ( 1.881 -3.559 -5.983) 7.211 2.837 ( 0.986 9.004 4.780) 10.242 2.912 ( 3.545 2.979 2.844) 5.434 3.102 ( -2.556 4.916 -3.162) 6.380 3.152 ( 0.362 4.426 0.435) 4.462 3.203 ( 0.925 -0.336 -0.584) 1.145 3.233 ( 1.489 -7.627 -0.210) 7.774 3.406 ( -2.342 2.505 3.124) 4.639 3.458 ( -1.620 -3.010 1.516) 3.739 3.529 ( -2.664 2.534 4.199) 5.581 3.552 ( -3.448 1.070 -1.656) 3.972 3.675 ( -2.174 1.931 0.448) 2.942 3.694 ( -2.345 1.176 3.878) 4.682 3.766 ( -4.314 -1.369 -0.132) 4.528 3.790 ( -4.449 -0.871 1.723) 4.850 3.915 ( -0.269 5.655 -0.092) 5.662 3.963 ( 1.373 1.417 -3.987) 4.449 4.051 ( -0.160 -2.168 -1.206) 2.486 4.100 ( 3.793 -5.101 -0.769) 6.403 4.108 ( 1.795 0.071 1.309) 2.223 4.169 ( 2.841 -3.591 -2.041) 5.013 4.498 ( 2.239 6.481 2.731) 7.380 4.524 ( 1.145 4.240 -2.701) 5.156 4.569 ( -2.524 0.788 -1.482) 3.031 4.600 ( -0.265 -1.610 2.472) 2.962 4.664 ( -4.906 -1.582 -0.354) 5.167 4.684 ( -1.246 -5.707 -2.748) 6.456 4.856 ( 4.352 1.255 0.939) 4.626 4.894 ( 2.549 -2.223 -0.514) 3.421 4.929 ( -1.112 -0.851 -0.675) 1.554 4.946 ( -0.249 -2.257 0.506) 2.326 5.068 ( -0.293 2.367 -0.114) 2.388 5.100 ( 1.910 -1.004 -2.542) 3.334 5.264 ( -1.727 2.570 -2.447) 3.947 5.322 ( -0.886 -2.178 -0.492) 2.402 5.400 ( -1.760 1.938 -0.641) 2.695 5.464 ( 0.668 -3.294 1.986) 3.903 6.048 ( -1.204 -0.992 -1.434) 2.119 6.050 ( -1.287 -1.210 -1.784) 2.511 6.253 ( 3.095 1.675 3.170) 4.737 6.303 ( 4.595 -3.422 4.065) 7.025 6.454 ( 0.553 0.286 1.128) 1.288 6.476 ( 1.921 -1.912 2.944) 4.001 6.580 ( 2.222 1.949 -4.071) 5.031 6.635 ( 4.807 -3.192 -4.609) 7.385 6.853 ( -4.990 2.837 -1.316) 5.889 6.874 ( -2.037 2.867 3.542) 4.992 6.937 ( -4.477 -2.095 0.410) 4.959 6.946 ( -3.876 -4.324 -0.223) 5.811 7.082 ( -0.984 1.157 -0.378) 1.566 7.105 ( -1.150 -2.364 -0.129) 2.632 7.369 ( -2.088 0.301 -0.671) 2.214 7.372 ( -1.593 0.415 -2.095) 2.664 7.534 ( -0.881 2.044 -1.151) 2.506 7.562 ( 0.679 -0.291 1.122) 1.343 7.660 ( 0.490 0.278 0.323) 0.650 7.687 ( 1.734 -2.293 2.926) 4.102 7.938 ( 3.859 6.236 -0.217) 7.337 8.017 ( 6.104 -1.011 2.449) 6.654 8.144 ( 5.002 0.576 -0.094) 5.036 8.172 ( 4.564 -1.952 -0.335) 4.975 8.452 ( -6.397 3.344 6.608) 9.786 8.496 ( -5.239 -0.762 8.000) 9.593 8.575 ( -2.487 2.914 -7.485) 8.408 8.600 ( -1.853 0.468 -7.542) 7.781 10.949 ( -0.790 13.075 3.923) 13.673 11.036 ( 4.347 11.177 -4.881) 12.948 11.218 ( -1.557 -14.032 4.846) 14.927 11.273 ( 1.721 -12.611 -5.871) 14.017 13.351 ( 0.582 1.543 -1.156) 2.014 13.383 ( 1.783 -1.602 -0.974) 2.587 13.465 ( 2.753 0.353 2.359) 3.643 13.485 ( 3.646 -1.627 2.640) 4.787 14.247 ( -9.052 9.917 26.319) 29.546 14.386 ( 1.648 8.295 -26.592) 27.905 14.397 ( -6.703 -3.426 6.341) 9.843 14.475 ( -2.159 -2.040 -10.476) 10.889 15.683 ( -0.189 0.505 -1.514) 1.607 15.695 ( -0.442 -0.338 -1.598) 1.692 15.713 ( 0.455 1.089 0.922) 1.498 15.732 ( 0.094 0.069 1.184) 1.190 15.756 ( -1.006 -0.628 1.648) 2.031 15.775 ( -0.366 -3.078 -0.607) 3.159 15.915 ( 5.930 0.398 3.171) 6.736 15.928 ( 6.322 -0.967 3.393) 7.240 17.360 ( 0.288 0.049 6.164) 6.171 17.376 ( 2.181 -0.540 -6.314) 6.701 17.424 ( 0.848 -1.905 2.770) 3.467 17.436 ( 2.157 -2.251 -4.702) 5.642 17.703 ( -2.171 3.674 -13.675) 14.325 17.757 ( -2.383 -1.723 12.722) 13.057 17.769 ( -2.477 -2.426 13.254) 13.700 17.787 ( 0.315 -4.446 -13.498) 14.215 ======================= Grid point 146 (80/80) ======================= q-point: (-0.17 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 4.981 7.800 6.220) 11.150 1.618 ( 8.763 12.430 -4.947) 15.993 1.649 ( 8.318 12.508 4.601) 15.710 1.816 ( -2.664 8.909 -2.770) 9.703 1.902 ( 1.579 1.072 -0.299) 1.932 1.991 ( 0.107 1.894 5.781) 6.084 2.092 ( -0.200 -7.354 0.337) 7.364 2.198 ( 5.853 -9.302 -5.021) 12.083 2.253 ( 1.667 -2.189 -0.254) 2.763 2.347 ( -2.122 -8.227 4.060) 9.416 2.409 ( 4.041 5.325 -2.753) 7.229 2.504 ( 6.656 -3.018 1.986) 7.574 2.549 ( 1.874 -0.476 -6.910) 7.175 2.562 ( -3.282 -0.508 -3.329) 4.703 2.632 ( -2.267 0.154 2.533) 3.403 2.669 ( 1.580 -2.444 -1.563) 3.303 2.919 ( 2.008 8.020 1.789) 8.459 2.991 ( 2.570 2.761 1.100) 3.929 3.056 ( 0.970 7.675 -0.384) 7.745 3.140 ( -1.918 1.643 -1.674) 3.029 3.187 ( -1.624 -1.785 0.667) 2.504 3.237 ( -0.860 -6.517 2.127) 6.909 3.365 ( -4.588 3.278 -4.117) 6.982 3.449 ( -0.791 -2.673 -1.631) 3.230 3.505 ( 0.459 3.381 4.104) 5.337 3.549 ( -3.499 -0.296 8.592) 9.281 3.624 ( -2.749 0.532 1.007) 2.975 3.649 ( -5.177 -1.261 3.345) 6.291 3.677 ( -4.540 -1.888 0.537) 4.946 3.736 ( -1.995 -2.315 0.271) 3.069 3.888 ( -1.989 3.681 -1.671) 4.505 3.960 ( 0.194 -2.591 -4.743) 5.408 4.044 ( 1.233 2.863 0.839) 3.229 4.129 ( 0.921 -2.250 -1.513) 2.863 4.186 ( 3.360 0.673 2.829) 4.444 4.231 ( 4.467 -2.576 -0.551) 5.186 4.445 ( -4.110 5.730 -3.860) 8.039 4.494 ( -1.037 1.891 -3.534) 4.140 4.564 ( -4.400 -3.104 -0.832) 5.449 4.611 ( -0.125 -3.606 -0.420) 3.633 4.630 ( 3.444 3.050 3.141) 5.571 4.705 ( 4.073 -4.767 1.816) 6.528 4.812 ( -2.186 0.255 -2.436) 3.283 4.847 ( -1.395 -3.608 -3.828) 5.442 4.948 ( -0.446 2.171 0.359) 2.245 5.017 ( 3.207 -3.895 2.193) 5.501 5.076 ( 1.781 4.431 -0.878) 4.856 5.103 ( 0.665 2.668 -2.135) 3.481 5.257 ( 2.066 -1.480 -0.743) 2.648 5.291 ( -0.870 -4.531 -0.435) 4.634 5.364 ( -2.087 4.831 -0.895) 5.338 5.464 ( -1.211 -4.943 -1.021) 5.190 6.029 ( 0.481 -1.450 0.143) 1.535 6.033 ( 0.248 -1.984 0.361) 2.032 6.337 ( 1.518 2.713 1.606) 3.499 6.375 ( 0.862 -1.247 -0.851) 1.739 6.477 ( -0.493 1.980 3.663) 4.193 6.531 ( -0.297 -2.150 3.354) 3.995 6.611 ( 5.095 1.680 -3.534) 6.424 6.682 ( 5.534 -3.159 -6.337) 8.987 6.757 ( -3.045 -0.636 -1.321) 3.380 6.783 ( -6.851 -2.523 0.481) 7.317 6.860 ( -2.316 1.155 1.822) 3.165 6.902 ( -4.171 -2.819 1.637) 5.294 7.097 ( 2.743 1.751 0.755) 3.341 7.128 ( 1.510 -1.452 1.297) 2.463 7.332 ( -0.430 1.085 0.952) 1.506 7.344 ( -1.370 -0.191 1.820) 2.286 7.508 ( -0.442 3.406 -0.552) 3.478 7.574 ( -0.128 -3.217 0.854) 3.331 7.692 ( 1.283 3.621 2.237) 4.446 7.756 ( 0.158 -2.929 5.737) 6.444 7.999 ( 3.480 8.082 -1.869) 8.996 8.114 ( 3.247 -1.402 -0.768) 3.619 8.245 ( 6.513 0.854 -4.025) 7.703 8.295 ( 7.326 -1.510 1.197) 7.575 8.369 ( -6.936 2.789 -0.041) 7.476 8.402 ( -4.158 1.560 -6.507) 7.878 8.482 ( -5.504 -0.217 4.417) 7.061 8.490 ( -4.945 -0.788 0.196) 5.011 10.977 ( -0.782 12.045 4.313) 12.818 11.072 ( 4.839 8.374 -5.403) 11.079 11.223 ( -2.394 -12.148 3.516) 12.871 11.257 ( 1.978 -9.509 -4.313) 10.627 13.368 ( 2.172 2.245 -0.199) 3.130 13.413 ( 2.437 -2.148 -0.339) 3.266 13.531 ( 0.452 0.708 0.906) 1.236 13.549 ( -0.161 -1.083 0.408) 1.168 14.225 ( 5.011 5.586 -12.400) 14.494 14.234 ( -2.240 6.241 -0.773) 6.676 14.301 ( 1.023 6.721 -0.625) 6.827 14.459 ( -13.595 -8.433 17.212) 23.499 15.682 ( 1.095 0.990 -0.773) 1.667 15.691 ( 0.804 0.239 -0.723) 1.107 15.721 ( -0.363 0.253 0.958) 1.055 15.745 ( 0.586 0.172 -0.035) 0.612 15.771 ( 0.614 -1.899 0.411) 2.038 15.777 ( 1.533 -0.917 1.465) 2.310 16.000 ( -0.433 0.576 0.076) 0.724 16.013 ( -0.683 -0.795 -0.242) 1.076 17.377 ( 8.031 1.523 -8.024) 11.455 17.399 ( 1.992 -0.244 0.157) 2.013 17.457 ( 4.019 -1.830 -2.213) 4.939 17.470 ( -0.136 -3.071 2.679) 4.078 17.597 ( 2.830 5.255 -7.891) 9.894 17.709 ( 4.162 -5.743 -8.158) 10.810 17.766 ( -9.008 -0.934 8.827) 12.646 17.800 ( -8.166 -4.353 10.517) 14.009 =================== 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 3/29160 10.0 371.830 299.679 430.174 0.000 46.415 0.000 3/29160 20.0 59.672 67.935 83.047 0.000 -0.036 0.000 3/29160 30.0 22.193 26.571 30.892 0.000 -0.371 0.000 3/29160 40.0 11.964 14.601 16.562 0.000 -0.222 0.000 3/29160 50.0 7.849 9.673 10.816 0.000 -0.140 0.000 3/29160 60.0 5.766 7.142 7.917 0.000 -0.097 0.000 3/29160 70.0 4.546 5.647 6.223 0.000 -0.072 0.000 3/29160 80.0 3.756 4.675 5.130 0.000 -0.056 0.000 3/29160 90.0 3.208 3.999 4.372 0.000 -0.046 0.000 3/29160 100.0 2.807 3.504 3.818 0.000 -0.039 0.000 3/29160 110.0 2.501 3.128 3.397 0.000 -0.034 0.000 3/29160 120.0 2.261 2.832 3.066 0.000 -0.030 0.000 3/29160 130.0 2.066 2.593 2.799 0.000 -0.027 0.000 3/29160 140.0 1.906 2.395 2.579 0.000 -0.024 0.000 3/29160 150.0 1.771 2.229 2.394 0.000 -0.022 0.000 3/29160 160.0 1.656 2.087 2.237 0.000 -0.020 0.000 3/29160 170.0 1.556 1.964 2.101 0.000 -0.019 0.000 3/29160 180.0 1.469 1.856 1.981 0.000 -0.017 0.000 3/29160 190.0 1.392 1.760 1.876 0.000 -0.016 0.000 3/29160 200.0 1.323 1.675 1.782 0.000 -0.015 0.000 3/29160 210.0 1.261 1.598 1.698 0.000 -0.014 0.000 3/29160 220.0 1.205 1.528 1.622 0.000 -0.013 0.000 3/29160 230.0 1.154 1.465 1.553 0.000 -0.012 0.000 3/29160 240.0 1.107 1.406 1.490 0.000 -0.011 0.000 3/29160 250.0 1.065 1.353 1.431 0.000 -0.011 0.000 3/29160 260.0 1.025 1.303 1.378 0.000 -0.010 0.000 3/29160 270.0 0.988 1.257 1.328 0.000 -0.009 0.000 3/29160 280.0 0.954 1.215 1.282 0.000 -0.009 0.000 3/29160 290.0 0.923 1.175 1.239 0.000 -0.009 0.000 3/29160 300.0 0.893 1.137 1.199 0.000 -0.008 0.000 3/29160 310.0 0.865 1.102 1.162 0.000 -0.008 0.000 3/29160 320.0 0.839 1.070 1.127 0.000 -0.007 0.000 3/29160 330.0 0.815 1.039 1.094 0.000 -0.007 0.000 3/29160 340.0 0.792 1.009 1.062 0.000 -0.007 0.000 3/29160 350.0 0.770 0.982 1.033 0.000 -0.006 0.000 3/29160 360.0 0.749 0.956 1.005 0.000 -0.006 0.000 3/29160 370.0 0.730 0.931 0.979 0.000 -0.006 0.000 3/29160 380.0 0.711 0.907 0.954 0.000 -0.006 0.000 3/29160 390.0 0.693 0.885 0.930 0.000 -0.005 0.000 3/29160 400.0 0.677 0.864 0.907 0.000 -0.005 0.000 3/29160 410.0 0.661 0.843 0.886 0.000 -0.005 0.000 3/29160 420.0 0.645 0.824 0.865 0.000 -0.005 0.000 3/29160 430.0 0.631 0.806 0.846 0.000 -0.005 0.000 3/29160 440.0 0.617 0.788 0.827 0.000 -0.005 0.000 3/29160 450.0 0.604 0.771 0.809 0.000 -0.004 0.000 3/29160 460.0 0.591 0.755 0.792 0.000 -0.004 0.000 3/29160 470.0 0.579 0.739 0.775 0.000 -0.004 0.000 3/29160 480.0 0.567 0.724 0.760 0.000 -0.004 0.000 3/29160 490.0 0.556 0.710 0.744 0.000 -0.004 0.000 3/29160 500.0 0.545 0.696 0.730 0.000 -0.004 0.000 3/29160 510.0 0.534 0.683 0.716 0.000 -0.004 0.000 3/29160 520.0 0.524 0.670 0.702 0.000 -0.004 0.000 3/29160 530.0 0.515 0.658 0.689 0.000 -0.004 0.000 3/29160 540.0 0.505 0.646 0.677 0.000 -0.003 0.000 3/29160 550.0 0.496 0.634 0.665 0.000 -0.003 0.000 3/29160 560.0 0.488 0.623 0.653 0.000 -0.003 0.000 3/29160 570.0 0.479 0.613 0.642 0.000 -0.003 0.000 3/29160 580.0 0.471 0.602 0.631 0.000 -0.003 0.000 3/29160 590.0 0.463 0.592 0.620 0.000 -0.003 0.000 3/29160 600.0 0.456 0.583 0.610 0.000 -0.003 0.000 3/29160 610.0 0.448 0.573 0.600 0.000 -0.003 0.000 3/29160 620.0 0.441 0.564 0.591 0.000 -0.003 0.000 3/29160 630.0 0.434 0.555 0.582 0.000 -0.003 0.000 3/29160 640.0 0.428 0.547 0.573 0.000 -0.003 0.000 3/29160 650.0 0.421 0.539 0.564 0.000 -0.003 0.000 3/29160 660.0 0.415 0.531 0.556 0.000 -0.003 0.000 3/29160 670.0 0.409 0.523 0.547 0.000 -0.003 0.000 3/29160 680.0 0.403 0.515 0.540 0.000 -0.003 0.000 3/29160 690.0 0.397 0.508 0.532 0.000 -0.003 0.000 3/29160 700.0 0.392 0.501 0.524 0.000 -0.002 0.000 3/29160 710.0 0.386 0.494 0.517 0.000 -0.002 0.000 3/29160 720.0 0.381 0.487 0.510 0.000 -0.002 0.000 3/29160 730.0 0.376 0.480 0.503 0.000 -0.002 0.000 3/29160 740.0 0.371 0.474 0.496 0.000 -0.002 0.000 3/29160 750.0 0.366 0.468 0.490 0.000 -0.002 0.000 3/29160 760.0 0.361 0.462 0.483 0.000 -0.002 0.000 3/29160 770.0 0.356 0.456 0.477 0.000 -0.002 0.000 3/29160 780.0 0.352 0.450 0.471 0.000 -0.002 0.000 3/29160 790.0 0.347 0.444 0.465 0.000 -0.002 0.000 3/29160 800.0 0.343 0.439 0.459 0.000 -0.002 0.000 3/29160 810.0 0.339 0.434 0.454 0.000 -0.002 0.000 3/29160 820.0 0.335 0.428 0.448 0.000 -0.002 0.000 3/29160 830.0 0.331 0.423 0.443 0.000 -0.002 0.000 3/29160 840.0 0.327 0.418 0.438 0.000 -0.002 0.000 3/29160 850.0 0.323 0.413 0.433 0.000 -0.002 0.000 3/29160 860.0 0.319 0.409 0.428 0.000 -0.002 0.000 3/29160 870.0 0.316 0.404 0.423 0.000 -0.002 0.000 3/29160 880.0 0.312 0.400 0.418 0.000 -0.002 0.000 3/29160 890.0 0.309 0.395 0.413 0.000 -0.002 0.000 3/29160 900.0 0.305 0.391 0.409 0.000 -0.002 0.000 3/29160 910.0 0.302 0.387 0.404 0.000 -0.002 0.000 3/29160 920.0 0.299 0.382 0.400 0.000 -0.002 0.000 3/29160 930.0 0.296 0.378 0.396 0.000 -0.002 0.000 3/29160 940.0 0.293 0.374 0.392 0.000 -0.002 0.000 3/29160 950.0 0.289 0.370 0.387 0.000 -0.002 0.000 3/29160 960.0 0.286 0.367 0.383 0.000 -0.002 0.000 3/29160 970.0 0.284 0.363 0.380 0.000 -0.002 0.000 3/29160 980.0 0.281 0.359 0.376 0.000 -0.002 0.000 3/29160 990.0 0.278 0.356 0.372 0.000 -0.002 0.000 3/29160 1000.0 0.275 0.352 0.368 0.000 -0.002 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m695.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:00:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|