----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:25:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 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 8.150887021406476 0.000000000000000 0.000000000000000 b 0.000000000000000 4.861989910000000 0.000000000000000 c -2.995154253800790 0.000000000000000 11.961311833401657 Atomic positions (fractional): *1 O 0.90530470254716 0.74551952751796 0.06265509552618 15.999 2 O 0.09469529745284 0.24551952751796 0.43734490447382 15.999 3 O 0.09469529745284 0.25448047248204 0.93734490447382 15.999 4 O 0.90530470254716 0.75448047248204 0.56265509552618 15.999 *5 O 0.38996955290719 0.73143454236139 0.40192483352449 15.999 6 O 0.61003044709281 0.23143454236139 0.09807516647551 15.999 7 O 0.61003044709281 0.26856545763861 0.59807516647551 15.999 8 O 0.38996955290719 0.76856545763861 0.90192483352449 15.999 *9 O 0.22566727017686 0.74602492343343 0.17967966029054 15.999 10 O 0.77433272982313 0.24602492343343 0.32032033970946 15.999 11 O 0.77433272982313 0.25397507656657 0.82032033970946 15.999 12 O 0.22566727017686 0.75397507656657 0.67967966029054 15.999 *13 O 0.45213936956733 0.12342330130463 0.26777938666207 15.999 14 O 0.54786063043267 0.62342330130463 0.23222061333793 15.999 15 O 0.54786063043267 0.87657669869537 0.73222061333793 15.999 16 O 0.45213936956733 0.37657669869537 0.76777938666207 15.999 *17 O 0.01590484890245 0.14552332350056 0.71318201235676 15.999 18 O 0.98409515109755 0.64552332350056 0.78681798764324 15.999 19 O 0.98409515109755 0.85447667649944 0.28681798764324 15.999 20 O 0.01590484890245 0.35447667649944 0.21318201235676 15.999 *21 Na 0.37931164159892 0.24636569719355 0.94331875395571 22.990 22 Na 0.62068835840109 0.74636569719355 0.55668124604429 22.990 23 Na 0.62068835840109 0.75363430280645 0.05668124604429 22.990 24 Na 0.37931164159892 0.25363430280645 0.44331875395571 22.990 *25 Na 0.13640626306408 0.77517624855149 0.97224265732510 22.990 26 Na 0.86359373693592 0.27517624855149 0.52775734267490 22.990 27 Na 0.86359373693592 0.22482375144851 0.02775734267490 22.990 28 Na 0.13640626306408 0.72482375144851 0.47224265732510 22.990 *29 Si 0.02704877119675 0.81656308761985 0.68183170003777 28.085 30 Si 0.97295122880326 0.31656308761985 0.81816829996223 28.085 31 Si 0.97295122880326 0.18343691238015 0.31816829996223 28.085 32 Si 0.02704877119675 0.68343691238015 0.18183170003777 28.085 *33 Si 0.40250718531329 0.70466220298658 0.77707001557780 28.085 34 Si 0.59749281468671 0.20466220298658 0.72292998442220 28.085 35 Si 0.59749281468671 0.29533779701342 0.22292998442220 28.085 36 Si 0.40250718531329 0.79533779701342 0.27707001557780 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.150887021406476 0.000000000000000 0.000000000000000 b 0.000000000000000 4.861989910000000 0.000000000000000 c -2.995154253800790 0.000000000000000 11.961311833401657 Atomic positions (fractional): *1 O 0.90530470254716 0.74551952751796 0.06265509552618 15.999 > 1 2 O 0.09469529745284 0.24551952751796 0.43734490447382 15.999 > 2 3 O 0.09469529745284 0.25448047248204 0.93734490447382 15.999 > 3 4 O 0.90530470254716 0.75448047248204 0.56265509552618 15.999 > 4 *5 O 0.38996955290719 0.73143454236139 0.40192483352449 15.999 > 5 6 O 0.61003044709281 0.23143454236139 0.09807516647551 15.999 > 6 7 O 0.61003044709281 0.26856545763861 0.59807516647551 15.999 > 7 8 O 0.38996955290719 0.76856545763861 0.90192483352449 15.999 > 8 *9 O 0.22566727017686 0.74602492343343 0.17967966029054 15.999 > 9 10 O 0.77433272982313 0.24602492343343 0.32032033970946 15.999 > 10 11 O 0.77433272982313 0.25397507656657 0.82032033970946 15.999 > 11 12 O 0.22566727017686 0.75397507656657 0.67967966029054 15.999 > 12 *13 O 0.45213936956733 0.12342330130463 0.26777938666207 15.999 > 13 14 O 0.54786063043267 0.62342330130463 0.23222061333793 15.999 > 14 15 O 0.54786063043267 0.87657669869537 0.73222061333793 15.999 > 15 16 O 0.45213936956733 0.37657669869537 0.76777938666207 15.999 > 16 *17 O 0.01590484890245 0.14552332350056 0.71318201235676 15.999 > 17 18 O 0.98409515109755 0.64552332350056 0.78681798764324 15.999 > 18 19 O 0.98409515109755 0.85447667649944 0.28681798764324 15.999 > 19 20 O 0.01590484890245 0.35447667649944 0.21318201235676 15.999 > 20 *21 Na 0.37931164159892 0.24636569719355 0.94331875395571 22.990 > 21 22 Na 0.62068835840109 0.74636569719355 0.55668124604429 22.990 > 22 23 Na 0.62068835840109 0.75363430280645 0.05668124604429 22.990 > 23 24 Na 0.37931164159892 0.25363430280645 0.44331875395571 22.990 > 24 *25 Na 0.13640626306408 0.77517624855149 0.97224265732510 22.990 > 25 26 Na 0.86359373693592 0.27517624855149 0.52775734267490 22.990 > 26 27 Na 0.86359373693592 0.22482375144851 0.02775734267490 22.990 > 27 28 Na 0.13640626306408 0.72482375144851 0.47224265732510 22.990 > 28 *29 Si 0.02704877119675 0.81656308761985 0.68183170003777 28.085 > 29 30 Si 0.97295122880326 0.31656308761985 0.81816829996223 28.085 > 30 31 Si 0.97295122880326 0.18343691238015 0.31816829996223 28.085 > 31 32 Si 0.02704877119675 0.68343691238015 0.18183170003777 28.085 > 32 *33 Si 0.40250718531329 0.70466220298658 0.77707001557780 28.085 > 33 34 Si 0.59749281468671 0.20466220298658 0.72292998442220 28.085 > 34 35 Si 0.59749281468671 0.29533779701342 0.22292998442220 28.085 > 35 36 Si 0.40250718531329 0.79533779701342 0.27707001557780 28.085 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.301774042812951 0.000000000000000 0.000000000000000 b 0.000000000000000 9.723979820000000 0.000000000000000 c -2.995154253800790 0.000000000000000 11.961311833401657 Atomic positions (fractional): *1 O 0.45265235127358 0.37275976375898 0.06265509552618 15.999 > 1 2 O 0.95265235127358 0.37275976375898 0.06265509552618 15.999 > 1 3 O 0.45265235127358 0.87275976375898 0.06265509552618 15.999 > 1 4 O 0.95265235127358 0.87275976375898 0.06265509552618 15.999 > 1 5 O 0.04734764872642 0.12275976375898 0.43734490447382 15.999 > 2 6 O 0.54734764872642 0.12275976375898 0.43734490447382 15.999 > 2 7 O 0.04734764872642 0.62275976375898 0.43734490447382 15.999 > 2 8 O 0.54734764872642 0.62275976375898 0.43734490447382 15.999 > 2 9 O 0.04734764872642 0.12724023624102 0.93734490447382 15.999 > 3 10 O 0.54734764872642 0.12724023624102 0.93734490447382 15.999 > 3 11 O 0.04734764872642 0.62724023624102 0.93734490447382 15.999 > 3 12 O 0.54734764872642 0.62724023624102 0.93734490447382 15.999 > 3 13 O 0.45265235127358 0.37724023624102 0.56265509552618 15.999 > 4 14 O 0.95265235127358 0.37724023624102 0.56265509552618 15.999 > 4 15 O 0.45265235127358 0.87724023624102 0.56265509552618 15.999 > 4 16 O 0.95265235127358 0.87724023624102 0.56265509552618 15.999 > 4 *17 O 0.19498477645360 0.36571727118069 0.40192483352449 15.999 > 5 18 O 0.69498477645360 0.36571727118069 0.40192483352449 15.999 > 5 19 O 0.19498477645360 0.86571727118069 0.40192483352449 15.999 > 5 20 O 0.69498477645360 0.86571727118069 0.40192483352449 15.999 > 5 21 O 0.30501522354640 0.11571727118069 0.09807516647551 15.999 > 6 22 O 0.80501522354640 0.11571727118069 0.09807516647551 15.999 > 6 23 O 0.30501522354640 0.61571727118069 0.09807516647551 15.999 > 6 24 O 0.80501522354640 0.61571727118069 0.09807516647551 15.999 > 6 25 O 0.30501522354640 0.13428272881931 0.59807516647551 15.999 > 7 26 O 0.80501522354640 0.13428272881931 0.59807516647551 15.999 > 7 27 O 0.30501522354640 0.63428272881931 0.59807516647551 15.999 > 7 28 O 0.80501522354640 0.63428272881931 0.59807516647551 15.999 > 7 29 O 0.19498477645360 0.38428272881931 0.90192483352449 15.999 > 8 30 O 0.69498477645360 0.38428272881931 0.90192483352449 15.999 > 8 31 O 0.19498477645360 0.88428272881931 0.90192483352449 15.999 > 8 32 O 0.69498477645360 0.88428272881931 0.90192483352449 15.999 > 8 *33 O 0.11283363508843 0.37301246171671 0.17967966029054 15.999 > 9 34 O 0.61283363508843 0.37301246171671 0.17967966029054 15.999 > 9 35 O 0.11283363508843 0.87301246171671 0.17967966029054 15.999 > 9 36 O 0.61283363508843 0.87301246171671 0.17967966029054 15.999 > 9 37 O 0.38716636491157 0.12301246171671 0.32032033970946 15.999 > 10 38 O 0.88716636491157 0.12301246171671 0.32032033970946 15.999 > 10 39 O 0.38716636491157 0.62301246171671 0.32032033970946 15.999 > 10 40 O 0.88716636491157 0.62301246171671 0.32032033970946 15.999 > 10 41 O 0.38716636491157 0.12698753828328 0.82032033970946 15.999 > 11 42 O 0.88716636491157 0.12698753828328 0.82032033970946 15.999 > 11 43 O 0.38716636491157 0.62698753828329 0.82032033970946 15.999 > 11 44 O 0.88716636491157 0.62698753828329 0.82032033970946 15.999 > 11 45 O 0.11283363508843 0.37698753828329 0.67967966029054 15.999 > 12 46 O 0.61283363508843 0.37698753828329 0.67967966029054 15.999 > 12 47 O 0.11283363508843 0.87698753828329 0.67967966029054 15.999 > 12 48 O 0.61283363508843 0.87698753828329 0.67967966029054 15.999 > 12 *49 O 0.22606968478366 0.06171165065231 0.26777938666207 15.999 > 13 50 O 0.72606968478366 0.06171165065231 0.26777938666207 15.999 > 13 51 O 0.22606968478366 0.56171165065231 0.26777938666207 15.999 > 13 52 O 0.72606968478366 0.56171165065231 0.26777938666207 15.999 > 13 53 O 0.27393031521634 0.31171165065231 0.23222061333793 15.999 > 14 54 O 0.77393031521634 0.31171165065231 0.23222061333793 15.999 > 14 55 O 0.27393031521634 0.81171165065231 0.23222061333793 15.999 > 14 56 O 0.77393031521634 0.81171165065231 0.23222061333793 15.999 > 14 57 O 0.27393031521634 0.43828834934769 0.73222061333793 15.999 > 15 58 O 0.77393031521634 0.43828834934769 0.73222061333793 15.999 > 15 59 O 0.27393031521634 0.93828834934769 0.73222061333793 15.999 > 15 60 O 0.77393031521634 0.93828834934769 0.73222061333793 15.999 > 15 61 O 0.22606968478366 0.18828834934769 0.76777938666207 15.999 > 16 62 O 0.72606968478366 0.18828834934769 0.76777938666207 15.999 > 16 63 O 0.22606968478366 0.68828834934769 0.76777938666207 15.999 > 16 64 O 0.72606968478366 0.68828834934769 0.76777938666207 15.999 > 16 *65 O 0.00795242445123 0.07276166175028 0.71318201235676 15.999 > 17 66 O 0.50795242445123 0.07276166175028 0.71318201235676 15.999 > 17 67 O 0.00795242445123 0.57276166175028 0.71318201235676 15.999 > 17 68 O 0.50795242445123 0.57276166175028 0.71318201235676 15.999 > 17 69 O 0.49204757554877 0.32276166175028 0.78681798764324 15.999 > 18 70 O 0.99204757554877 0.32276166175028 0.78681798764324 15.999 > 18 71 O 0.49204757554877 0.82276166175028 0.78681798764324 15.999 > 18 72 O 0.99204757554877 0.82276166175028 0.78681798764324 15.999 > 18 73 O 0.49204757554877 0.42723833824972 0.28681798764324 15.999 > 19 74 O 0.99204757554877 0.42723833824972 0.28681798764324 15.999 > 19 75 O 0.49204757554877 0.92723833824972 0.28681798764324 15.999 > 19 76 O 0.99204757554877 0.92723833824972 0.28681798764324 15.999 > 19 77 O 0.00795242445123 0.17723833824972 0.21318201235676 15.999 > 20 78 O 0.50795242445123 0.17723833824972 0.21318201235676 15.999 > 20 79 O 0.00795242445123 0.67723833824972 0.21318201235676 15.999 > 20 80 O 0.50795242445123 0.67723833824972 0.21318201235676 15.999 > 20 *81 Na 0.18965582079946 0.12318284859677 0.94331875395571 22.990 > 21 82 Na 0.68965582079946 0.12318284859677 0.94331875395571 22.990 > 21 83 Na 0.18965582079946 0.62318284859677 0.94331875395571 22.990 > 21 84 Na 0.68965582079946 0.62318284859677 0.94331875395571 22.990 > 21 85 Na 0.31034417920054 0.37318284859677 0.55668124604429 22.990 > 22 86 Na 0.81034417920054 0.37318284859677 0.55668124604429 22.990 > 22 87 Na 0.31034417920054 0.87318284859677 0.55668124604429 22.990 > 22 88 Na 0.81034417920054 0.87318284859677 0.55668124604429 22.990 > 22 89 Na 0.31034417920054 0.37681715140323 0.05668124604429 22.990 > 23 90 Na 0.81034417920054 0.37681715140323 0.05668124604429 22.990 > 23 91 Na 0.31034417920054 0.87681715140323 0.05668124604429 22.990 > 23 92 Na 0.81034417920054 0.87681715140323 0.05668124604429 22.990 > 23 93 Na 0.18965582079946 0.12681715140323 0.44331875395571 22.990 > 24 94 Na 0.68965582079946 0.12681715140323 0.44331875395571 22.990 > 24 95 Na 0.18965582079946 0.62681715140323 0.44331875395571 22.990 > 24 96 Na 0.68965582079946 0.62681715140323 0.44331875395571 22.990 > 24 *97 Na 0.06820313153204 0.38758812427575 0.97224265732510 22.990 > 25 98 Na 0.56820313153204 0.38758812427575 0.97224265732510 22.990 > 25 99 Na 0.06820313153204 0.88758812427575 0.97224265732510 22.990 > 25 100 Na 0.56820313153204 0.88758812427575 0.97224265732510 22.990 > 25 101 Na 0.43179686846796 0.13758812427575 0.52775734267490 22.990 > 26 102 Na 0.93179686846796 0.13758812427575 0.52775734267490 22.990 > 26 103 Na 0.43179686846796 0.63758812427575 0.52775734267490 22.990 > 26 104 Na 0.93179686846796 0.63758812427575 0.52775734267490 22.990 > 26 105 Na 0.43179686846796 0.11241187572425 0.02775734267490 22.990 > 27 106 Na 0.93179686846796 0.11241187572425 0.02775734267490 22.990 > 27 107 Na 0.43179686846796 0.61241187572425 0.02775734267490 22.990 > 27 108 Na 0.93179686846796 0.61241187572425 0.02775734267490 22.990 > 27 109 Na 0.06820313153204 0.36241187572425 0.47224265732510 22.990 > 28 110 Na 0.56820313153204 0.36241187572425 0.47224265732510 22.990 > 28 111 Na 0.06820313153204 0.86241187572425 0.47224265732510 22.990 > 28 112 Na 0.56820313153204 0.86241187572425 0.47224265732510 22.990 > 28 *113 Si 0.01352438559837 0.40828154380992 0.68183170003777 28.085 > 29 114 Si 0.51352438559837 0.40828154380992 0.68183170003777 28.085 > 29 115 Si 0.01352438559837 0.90828154380992 0.68183170003777 28.085 > 29 116 Si 0.51352438559837 0.90828154380992 0.68183170003777 28.085 > 29 117 Si 0.48647561440163 0.15828154380993 0.81816829996223 28.085 > 30 118 Si 0.98647561440163 0.15828154380993 0.81816829996223 28.085 > 30 119 Si 0.48647561440163 0.65828154380992 0.81816829996223 28.085 > 30 120 Si 0.98647561440163 0.65828154380992 0.81816829996223 28.085 > 30 121 Si 0.48647561440163 0.09171845619008 0.31816829996223 28.085 > 31 122 Si 0.98647561440163 0.09171845619008 0.31816829996223 28.085 > 31 123 Si 0.48647561440163 0.59171845619008 0.31816829996223 28.085 > 31 124 Si 0.98647561440163 0.59171845619008 0.31816829996223 28.085 > 31 125 Si 0.01352438559837 0.34171845619008 0.18183170003777 28.085 > 32 126 Si 0.51352438559837 0.34171845619008 0.18183170003777 28.085 > 32 127 Si 0.01352438559837 0.84171845619008 0.18183170003777 28.085 > 32 128 Si 0.51352438559837 0.84171845619008 0.18183170003777 28.085 > 32 *129 Si 0.20125359265664 0.35233110149329 0.77707001557780 28.085 > 33 130 Si 0.70125359265664 0.35233110149329 0.77707001557780 28.085 > 33 131 Si 0.20125359265664 0.85233110149329 0.77707001557780 28.085 > 33 132 Si 0.70125359265664 0.85233110149329 0.77707001557780 28.085 > 33 133 Si 0.29874640734336 0.10233110149329 0.72292998442220 28.085 > 34 134 Si 0.79874640734336 0.10233110149329 0.72292998442220 28.085 > 34 135 Si 0.29874640734336 0.60233110149329 0.72292998442220 28.085 > 34 136 Si 0.79874640734336 0.60233110149329 0.72292998442220 28.085 > 34 137 Si 0.29874640734336 0.14766889850671 0.22292998442220 28.085 > 35 138 Si 0.79874640734336 0.14766889850671 0.22292998442220 28.085 > 35 139 Si 0.29874640734336 0.64766889850671 0.22292998442220 28.085 > 35 140 Si 0.79874640734336 0.64766889850671 0.22292998442220 28.085 > 35 141 Si 0.20125359265664 0.39766889850671 0.27707001557780 28.085 > 36 142 Si 0.70125359265664 0.39766889850671 0.27707001557780 28.085 > 36 143 Si 0.20125359265664 0.89766889850671 0.27707001557780 28.085 > 36 144 Si 0.70125359265664 0.89766889850671 0.27707001557780 28.085 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4192514 0.0000000 0.0009218 0.0000000 2.4365805 0.0000000 0.0009212 0.0000000 2.3827198 -------------------------- Born effective charges -------------------------- 1 O -1.3824923 0.0117509 -0.1662234 0.0462075 -1.3812476 0.0362891 -0.1224598 0.0967726 -1.7116677 2 O -1.3824923 -0.0117509 -0.1662234 -0.0462075 -1.3812476 -0.0362891 -0.1224598 -0.0967726 -1.7116677 3 O -1.3824923 0.0117509 -0.1662234 0.0462075 -1.3812476 0.0362891 -0.1224598 0.0967726 -1.7116677 4 O -1.3824923 -0.0117509 -0.1662234 -0.0462075 -1.3812476 -0.0362891 -0.1224598 -0.0967726 -1.7116677 5 O -1.3854137 -0.0651308 0.1236482 0.0084049 -1.3607878 0.0704510 0.0975675 0.1029264 -1.8035604 6 O -1.3854137 0.0651308 0.1236482 -0.0084049 -1.3607878 -0.0704510 0.0975675 -0.1029264 -1.8035604 7 O -1.3854137 -0.0651308 0.1236482 0.0084049 -1.3607878 0.0704510 0.0975675 0.1029264 -1.8035604 8 O -1.3854137 0.0651308 0.1236482 -0.0084049 -1.3607878 -0.0704510 0.0975675 -0.1029264 -1.8035604 9 O -2.5179297 -0.2789196 -0.6074963 -0.1857659 -1.0365545 -0.1279813 -0.4069514 -0.0428974 -1.4617899 10 O -2.5179297 0.2789196 -0.6074963 0.1857659 -1.0365545 0.1279813 -0.4069514 0.0428974 -1.4617899 11 O -2.5179297 -0.2789196 -0.6074963 -0.1857659 -1.0365545 -0.1279813 -0.4069514 -0.0428974 -1.4617899 12 O -2.5179297 0.2789196 -0.6074963 0.1857659 -1.0365545 0.1279813 -0.4069514 0.0428974 -1.4617899 13 O -1.7344998 -0.7168595 0.3545012 -0.7125591 -2.2770869 0.2888462 0.2899945 0.1854493 -1.0680106 14 O -1.7344998 0.7168595 0.3545012 0.7125591 -2.2770869 -0.2888462 0.2899945 -0.1854493 -1.0680106 15 O -1.7344998 -0.7168595 0.3545012 -0.7125591 -2.2770869 0.2888462 0.2899945 0.1854493 -1.0680106 16 O -1.7344998 0.7168595 0.3545012 0.7125591 -2.2770869 -0.2888462 0.2899945 -0.1854493 -1.0680106 17 O -1.1898614 0.4039363 0.2750085 0.3487868 -2.2866340 -0.6870245 0.1354904 -0.5219408 -1.5261841 18 O -1.1898614 -0.4039363 0.2750085 -0.3487868 -2.2866340 0.6870245 0.1354904 0.5219408 -1.5261841 19 O -1.1898614 0.4039363 0.2750085 0.3487868 -2.2866340 -0.6870245 0.1354904 -0.5219408 -1.5261841 20 O -1.1898614 -0.4039363 0.2750085 -0.3487868 -2.2866340 0.6870245 0.1354904 0.5219408 -1.5261841 21 Na 1.0117004 0.0101707 0.0028420 0.0107453 1.0495608 -0.0163976 0.0984719 -0.0118492 1.0867369 22 Na 1.0117004 -0.0101707 0.0028420 -0.0107453 1.0495608 0.0163976 0.0984719 0.0118492 1.0867369 23 Na 1.0117004 0.0101707 0.0028420 0.0107453 1.0495608 -0.0163976 0.0984719 -0.0118492 1.0867369 24 Na 1.0117004 -0.0101707 0.0028420 -0.0107453 1.0495608 0.0163976 0.0984719 0.0118492 1.0867369 25 Na 0.9808375 0.0020777 -0.0671534 0.0076437 1.0217634 0.0162272 -0.1307099 0.0024602 1.1775381 26 Na 0.9808375 -0.0020777 -0.0671534 -0.0076437 1.0217634 -0.0162272 -0.1307099 -0.0024602 1.1775381 27 Na 0.9808375 0.0020777 -0.0671534 0.0076437 1.0217634 0.0162272 -0.1307099 0.0024602 1.1775381 28 Na 0.9808375 -0.0020777 -0.0671534 -0.0076437 1.0217634 -0.0162272 -0.1307099 -0.0024602 1.1775381 29 Si 2.9822500 -0.2768179 -0.0276957 0.0233915 3.1409084 -0.2241083 0.1602266 0.1487054 2.7278870 30 Si 2.9822500 0.2768179 -0.0276957 -0.0233915 3.1409084 0.2241083 0.1602266 -0.1487054 2.7278870 31 Si 2.9822500 -0.2768179 -0.0276957 0.0233915 3.1409084 -0.2241083 0.1602266 0.1487054 2.7278870 32 Si 2.9822500 0.2768179 -0.0276957 -0.0233915 3.1409084 0.2241083 0.1602266 -0.1487054 2.7278870 33 Si 3.2354090 -0.3205414 0.1125690 0.1612853 3.1300782 -0.1558076 -0.1216299 0.0494841 2.5790507 34 Si 3.2354090 0.3205414 0.1125690 -0.1612853 3.1300782 0.1558076 -0.1216299 -0.0494841 2.5790507 35 Si 3.2354090 -0.3205414 0.1125690 0.1612853 3.1300782 -0.1558076 -0.1216299 0.0494841 2.5790507 36 Si 3.2354090 0.3205414 0.1125690 -0.1612853 3.1300782 0.1558076 -0.1216299 -0.0494841 2.5790507 ---------------------------------------------------------------------------- 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) 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: 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) 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: 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) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 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, 7), data: (500, 16) @ (16, 7) |-- (250, 243), 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, 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 |-- (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 ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.263 Solver_block: 200 / 1120 - Time: 2.632 Solver_block: 300 / 1120 - Time: 3.330 Solver_block: 400 / 1120 - Time: 2.468 Solver_block: 500 / 1120 - Time: 2.635 Solver_block: 600 / 1120 - Time: 2.642 Solver_block: 700 / 1120 - Time: 2.835 Solver_block: 800 / 1120 - Time: 2.924 Solver_block: 900 / 1120 - Time: 3.783 Solver_block: 1000 / 1120 - Time: 4.530 Solver_block: 1100 / 1120 - Time: 3.712 Solver_block: 1120 / 1120 - Time: 0.989 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 36.499 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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) 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: 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) 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: 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) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 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, 7), data: (500, 16) @ (16, 7) |-- (250, 243), 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, 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 |-- (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 Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:27:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:27:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.150887021406476 0.000000000000000 0.000000000000000 b 0.000000000000000 4.861989910000000 0.000000000000000 c -2.995154253800790 0.000000000000000 11.961311833401657 Atomic positions (fractional): 1 O 0.90530470254716 0.74551952751796 0.06265509552618 15.999 2 O 0.09469529745284 0.24551952751796 0.43734490447382 15.999 3 O 0.09469529745284 0.25448047248204 0.93734490447382 15.999 4 O 0.90530470254716 0.75448047248204 0.56265509552618 15.999 5 O 0.38996955290719 0.73143454236139 0.40192483352449 15.999 6 O 0.61003044709281 0.23143454236139 0.09807516647551 15.999 7 O 0.61003044709281 0.26856545763861 0.59807516647551 15.999 8 O 0.38996955290719 0.76856545763861 0.90192483352449 15.999 9 O 0.22566727017686 0.74602492343343 0.17967966029054 15.999 10 O 0.77433272982313 0.24602492343343 0.32032033970946 15.999 11 O 0.77433272982313 0.25397507656657 0.82032033970946 15.999 12 O 0.22566727017686 0.75397507656657 0.67967966029054 15.999 13 O 0.45213936956733 0.12342330130463 0.26777938666207 15.999 14 O 0.54786063043267 0.62342330130463 0.23222061333793 15.999 15 O 0.54786063043267 0.87657669869537 0.73222061333793 15.999 16 O 0.45213936956733 0.37657669869537 0.76777938666207 15.999 17 O 0.01590484890245 0.14552332350056 0.71318201235676 15.999 18 O 0.98409515109755 0.64552332350056 0.78681798764324 15.999 19 O 0.98409515109755 0.85447667649944 0.28681798764324 15.999 20 O 0.01590484890245 0.35447667649944 0.21318201235676 15.999 21 Na 0.37931164159892 0.24636569719355 0.94331875395571 22.990 22 Na 0.62068835840109 0.74636569719355 0.55668124604429 22.990 23 Na 0.62068835840109 0.75363430280645 0.05668124604429 22.990 24 Na 0.37931164159892 0.25363430280645 0.44331875395571 22.990 25 Na 0.13640626306408 0.77517624855149 0.97224265732510 22.990 26 Na 0.86359373693592 0.27517624855149 0.52775734267490 22.990 27 Na 0.86359373693592 0.22482375144851 0.02775734267490 22.990 28 Na 0.13640626306408 0.72482375144851 0.47224265732510 22.990 29 Si 0.02704877119675 0.81656308761985 0.68183170003777 28.085 30 Si 0.97295122880326 0.31656308761985 0.81816829996223 28.085 31 Si 0.97295122880326 0.18343691238015 0.31816829996223 28.085 32 Si 0.02704877119675 0.68343691238015 0.18183170003777 28.085 33 Si 0.40250718531329 0.70466220298658 0.77707001557780 28.085 34 Si 0.59749281468671 0.20466220298658 0.72292998442220 28.085 35 Si 0.59749281468671 0.29533779701342 0.22292998442220 28.085 36 Si 0.40250718531329 0.79533779701342 0.27707001557780 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.301774042812951 0.000000000000000 0.000000000000000 b 0.000000000000000 9.723979820000000 0.000000000000000 c -2.995154253800790 0.000000000000000 11.961311833401657 Atomic positions (fractional): 1 O 0.45265235127358 0.37275976375898 0.06265509552618 15.999 > 1 2 O 0.95265235127358 0.37275976375898 0.06265509552618 15.999 > 1 3 O 0.45265235127358 0.87275976375898 0.06265509552618 15.999 > 1 4 O 0.95265235127358 0.87275976375898 0.06265509552618 15.999 > 1 5 O 0.04734764872642 0.12275976375898 0.43734490447382 15.999 > 5 6 O 0.54734764872642 0.12275976375898 0.43734490447382 15.999 > 5 7 O 0.04734764872642 0.62275976375898 0.43734490447382 15.999 > 5 8 O 0.54734764872642 0.62275976375898 0.43734490447382 15.999 > 5 9 O 0.04734764872642 0.12724023624102 0.93734490447382 15.999 > 9 10 O 0.54734764872642 0.12724023624102 0.93734490447382 15.999 > 9 11 O 0.04734764872642 0.62724023624102 0.93734490447382 15.999 > 9 12 O 0.54734764872642 0.62724023624102 0.93734490447382 15.999 > 9 13 O 0.45265235127358 0.37724023624102 0.56265509552618 15.999 > 13 14 O 0.95265235127358 0.37724023624102 0.56265509552618 15.999 > 13 15 O 0.45265235127358 0.87724023624102 0.56265509552618 15.999 > 13 16 O 0.95265235127358 0.87724023624102 0.56265509552618 15.999 > 13 17 O 0.19498477645360 0.36571727118069 0.40192483352449 15.999 > 17 18 O 0.69498477645360 0.36571727118069 0.40192483352449 15.999 > 17 19 O 0.19498477645360 0.86571727118069 0.40192483352449 15.999 > 17 20 O 0.69498477645360 0.86571727118069 0.40192483352449 15.999 > 17 21 O 0.30501522354640 0.11571727118069 0.09807516647551 15.999 > 21 22 O 0.80501522354640 0.11571727118069 0.09807516647551 15.999 > 21 23 O 0.30501522354640 0.61571727118069 0.09807516647551 15.999 > 21 24 O 0.80501522354640 0.61571727118069 0.09807516647551 15.999 > 21 25 O 0.30501522354640 0.13428272881931 0.59807516647551 15.999 > 25 26 O 0.80501522354640 0.13428272881931 0.59807516647551 15.999 > 25 27 O 0.30501522354640 0.63428272881931 0.59807516647551 15.999 > 25 28 O 0.80501522354640 0.63428272881931 0.59807516647551 15.999 > 25 29 O 0.19498477645360 0.38428272881931 0.90192483352449 15.999 > 29 30 O 0.69498477645360 0.38428272881931 0.90192483352449 15.999 > 29 31 O 0.19498477645360 0.88428272881931 0.90192483352449 15.999 > 29 32 O 0.69498477645360 0.88428272881931 0.90192483352449 15.999 > 29 33 O 0.11283363508843 0.37301246171671 0.17967966029054 15.999 > 33 34 O 0.61283363508843 0.37301246171671 0.17967966029054 15.999 > 33 35 O 0.11283363508843 0.87301246171671 0.17967966029054 15.999 > 33 36 O 0.61283363508843 0.87301246171671 0.17967966029054 15.999 > 33 37 O 0.38716636491157 0.12301246171671 0.32032033970946 15.999 > 37 38 O 0.88716636491157 0.12301246171671 0.32032033970946 15.999 > 37 39 O 0.38716636491157 0.62301246171671 0.32032033970946 15.999 > 37 40 O 0.88716636491157 0.62301246171671 0.32032033970946 15.999 > 37 41 O 0.38716636491157 0.12698753828328 0.82032033970946 15.999 > 41 42 O 0.88716636491157 0.12698753828328 0.82032033970946 15.999 > 41 43 O 0.38716636491157 0.62698753828329 0.82032033970946 15.999 > 41 44 O 0.88716636491157 0.62698753828329 0.82032033970946 15.999 > 41 45 O 0.11283363508843 0.37698753828329 0.67967966029054 15.999 > 45 46 O 0.61283363508843 0.37698753828329 0.67967966029054 15.999 > 45 47 O 0.11283363508843 0.87698753828329 0.67967966029054 15.999 > 45 48 O 0.61283363508843 0.87698753828329 0.67967966029054 15.999 > 45 49 O 0.22606968478366 0.06171165065231 0.26777938666207 15.999 > 49 50 O 0.72606968478366 0.06171165065231 0.26777938666207 15.999 > 49 51 O 0.22606968478366 0.56171165065231 0.26777938666207 15.999 > 49 52 O 0.72606968478366 0.56171165065231 0.26777938666207 15.999 > 49 53 O 0.27393031521634 0.31171165065231 0.23222061333793 15.999 > 53 54 O 0.77393031521634 0.31171165065231 0.23222061333793 15.999 > 53 55 O 0.27393031521634 0.81171165065231 0.23222061333793 15.999 > 53 56 O 0.77393031521634 0.81171165065231 0.23222061333793 15.999 > 53 57 O 0.27393031521634 0.43828834934769 0.73222061333793 15.999 > 57 58 O 0.77393031521634 0.43828834934769 0.73222061333793 15.999 > 57 59 O 0.27393031521634 0.93828834934769 0.73222061333793 15.999 > 57 60 O 0.77393031521634 0.93828834934769 0.73222061333793 15.999 > 57 61 O 0.22606968478366 0.18828834934769 0.76777938666207 15.999 > 61 62 O 0.72606968478366 0.18828834934769 0.76777938666207 15.999 > 61 63 O 0.22606968478366 0.68828834934769 0.76777938666207 15.999 > 61 64 O 0.72606968478366 0.68828834934769 0.76777938666207 15.999 > 61 65 O 0.00795242445123 0.07276166175028 0.71318201235676 15.999 > 65 66 O 0.50795242445123 0.07276166175028 0.71318201235676 15.999 > 65 67 O 0.00795242445123 0.57276166175028 0.71318201235676 15.999 > 65 68 O 0.50795242445123 0.57276166175028 0.71318201235676 15.999 > 65 69 O 0.49204757554877 0.32276166175028 0.78681798764324 15.999 > 69 70 O 0.99204757554877 0.32276166175028 0.78681798764324 15.999 > 69 71 O 0.49204757554877 0.82276166175028 0.78681798764324 15.999 > 69 72 O 0.99204757554877 0.82276166175028 0.78681798764324 15.999 > 69 73 O 0.49204757554877 0.42723833824972 0.28681798764324 15.999 > 73 74 O 0.99204757554877 0.42723833824972 0.28681798764324 15.999 > 73 75 O 0.49204757554877 0.92723833824972 0.28681798764324 15.999 > 73 76 O 0.99204757554877 0.92723833824972 0.28681798764324 15.999 > 73 77 O 0.00795242445123 0.17723833824972 0.21318201235676 15.999 > 77 78 O 0.50795242445123 0.17723833824972 0.21318201235676 15.999 > 77 79 O 0.00795242445123 0.67723833824972 0.21318201235676 15.999 > 77 80 O 0.50795242445123 0.67723833824972 0.21318201235676 15.999 > 77 81 Na 0.18965582079946 0.12318284859677 0.94331875395571 22.990 > 81 82 Na 0.68965582079946 0.12318284859677 0.94331875395571 22.990 > 81 83 Na 0.18965582079946 0.62318284859677 0.94331875395571 22.990 > 81 84 Na 0.68965582079946 0.62318284859677 0.94331875395571 22.990 > 81 85 Na 0.31034417920054 0.37318284859677 0.55668124604429 22.990 > 85 86 Na 0.81034417920054 0.37318284859677 0.55668124604429 22.990 > 85 87 Na 0.31034417920054 0.87318284859677 0.55668124604429 22.990 > 85 88 Na 0.81034417920054 0.87318284859677 0.55668124604429 22.990 > 85 89 Na 0.31034417920054 0.37681715140323 0.05668124604429 22.990 > 89 90 Na 0.81034417920054 0.37681715140323 0.05668124604429 22.990 > 89 91 Na 0.31034417920054 0.87681715140323 0.05668124604429 22.990 > 89 92 Na 0.81034417920054 0.87681715140323 0.05668124604429 22.990 > 89 93 Na 0.18965582079946 0.12681715140323 0.44331875395571 22.990 > 93 94 Na 0.68965582079946 0.12681715140323 0.44331875395571 22.990 > 93 95 Na 0.18965582079946 0.62681715140323 0.44331875395571 22.990 > 93 96 Na 0.68965582079946 0.62681715140323 0.44331875395571 22.990 > 93 97 Na 0.06820313153204 0.38758812427575 0.97224265732510 22.990 > 97 98 Na 0.56820313153204 0.38758812427575 0.97224265732510 22.990 > 97 99 Na 0.06820313153204 0.88758812427575 0.97224265732510 22.990 > 97 100 Na 0.56820313153204 0.88758812427575 0.97224265732510 22.990 > 97 101 Na 0.43179686846796 0.13758812427575 0.52775734267490 22.990 > 101 102 Na 0.93179686846796 0.13758812427575 0.52775734267490 22.990 > 101 103 Na 0.43179686846796 0.63758812427575 0.52775734267490 22.990 > 101 104 Na 0.93179686846796 0.63758812427575 0.52775734267490 22.990 > 101 105 Na 0.43179686846796 0.11241187572425 0.02775734267490 22.990 > 105 106 Na 0.93179686846796 0.11241187572425 0.02775734267490 22.990 > 105 107 Na 0.43179686846796 0.61241187572425 0.02775734267490 22.990 > 105 108 Na 0.93179686846796 0.61241187572425 0.02775734267490 22.990 > 105 109 Na 0.06820313153204 0.36241187572425 0.47224265732510 22.990 > 109 110 Na 0.56820313153204 0.36241187572425 0.47224265732510 22.990 > 109 111 Na 0.06820313153204 0.86241187572425 0.47224265732510 22.990 > 109 112 Na 0.56820313153204 0.86241187572425 0.47224265732510 22.990 > 109 113 Si 0.01352438559837 0.40828154380992 0.68183170003777 28.085 > 113 114 Si 0.51352438559837 0.40828154380992 0.68183170003777 28.085 > 113 115 Si 0.01352438559837 0.90828154380992 0.68183170003777 28.085 > 113 116 Si 0.51352438559837 0.90828154380992 0.68183170003777 28.085 > 113 117 Si 0.48647561440163 0.15828154380993 0.81816829996223 28.085 > 117 118 Si 0.98647561440163 0.15828154380993 0.81816829996223 28.085 > 117 119 Si 0.48647561440163 0.65828154380992 0.81816829996223 28.085 > 117 120 Si 0.98647561440163 0.65828154380992 0.81816829996223 28.085 > 117 121 Si 0.48647561440163 0.09171845619008 0.31816829996223 28.085 > 121 122 Si 0.98647561440163 0.09171845619008 0.31816829996223 28.085 > 121 123 Si 0.48647561440163 0.59171845619008 0.31816829996223 28.085 > 121 124 Si 0.98647561440163 0.59171845619008 0.31816829996223 28.085 > 121 125 Si 0.01352438559837 0.34171845619008 0.18183170003777 28.085 > 125 126 Si 0.51352438559837 0.34171845619008 0.18183170003777 28.085 > 125 127 Si 0.01352438559837 0.84171845619008 0.18183170003777 28.085 > 125 128 Si 0.51352438559837 0.84171845619008 0.18183170003777 28.085 > 125 129 Si 0.20125359265664 0.35233110149329 0.77707001557780 28.085 > 129 130 Si 0.70125359265664 0.35233110149329 0.77707001557780 28.085 > 129 131 Si 0.20125359265664 0.85233110149329 0.77707001557780 28.085 > 129 132 Si 0.70125359265664 0.85233110149329 0.77707001557780 28.085 > 129 133 Si 0.29874640734336 0.10233110149329 0.72292998442220 28.085 > 133 134 Si 0.79874640734336 0.10233110149329 0.72292998442220 28.085 > 133 135 Si 0.29874640734336 0.60233110149329 0.72292998442220 28.085 > 133 136 Si 0.79874640734336 0.60233110149329 0.72292998442220 28.085 > 133 137 Si 0.29874640734336 0.14766889850671 0.22292998442220 28.085 > 137 138 Si 0.79874640734336 0.14766889850671 0.22292998442220 28.085 > 137 139 Si 0.29874640734336 0.64766889850671 0.22292998442220 28.085 > 137 140 Si 0.79874640734336 0.64766889850671 0.22292998442220 28.085 > 137 141 Si 0.20125359265664 0.39766889850671 0.27707001557780 28.085 > 141 142 Si 0.70125359265664 0.39766889850671 0.27707001557780 28.085 > 141 143 Si 0.20125359265664 0.89766889850671 0.27707001557780 28.085 > 141 144 Si 0.70125359265664 0.89766889850671 0.27707001557780 28.085 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4192514 0.0000000 0.0009218 0.0000000 2.4365805 0.0000000 0.0009212 0.0000000 2.3827198 -------------------------- Born effective charges -------------------------- 1 O -1.3824923 0.0117509 -0.1662234 0.0462075 -1.3812476 0.0362891 -0.1224598 0.0967726 -1.7116677 2 O -1.3824923 -0.0117509 -0.1662234 -0.0462075 -1.3812476 -0.0362891 -0.1224598 -0.0967726 -1.7116677 3 O -1.3824923 0.0117509 -0.1662234 0.0462075 -1.3812476 0.0362891 -0.1224598 0.0967726 -1.7116677 4 O -1.3824923 -0.0117509 -0.1662234 -0.0462075 -1.3812476 -0.0362891 -0.1224598 -0.0967726 -1.7116677 5 O -1.3854137 -0.0651308 0.1236482 0.0084049 -1.3607878 0.0704510 0.0975675 0.1029264 -1.8035604 6 O -1.3854137 0.0651308 0.1236482 -0.0084049 -1.3607878 -0.0704510 0.0975675 -0.1029264 -1.8035604 7 O -1.3854137 -0.0651308 0.1236482 0.0084049 -1.3607878 0.0704510 0.0975675 0.1029264 -1.8035604 8 O -1.3854137 0.0651308 0.1236482 -0.0084049 -1.3607878 -0.0704510 0.0975675 -0.1029264 -1.8035604 9 O -2.5179297 -0.2789196 -0.6074963 -0.1857659 -1.0365545 -0.1279813 -0.4069514 -0.0428974 -1.4617899 10 O -2.5179297 0.2789196 -0.6074963 0.1857659 -1.0365545 0.1279813 -0.4069514 0.0428974 -1.4617899 11 O -2.5179297 -0.2789196 -0.6074963 -0.1857659 -1.0365545 -0.1279813 -0.4069514 -0.0428974 -1.4617899 12 O -2.5179297 0.2789196 -0.6074963 0.1857659 -1.0365545 0.1279813 -0.4069514 0.0428974 -1.4617899 13 O -1.7344998 -0.7168595 0.3545012 -0.7125591 -2.2770869 0.2888462 0.2899945 0.1854493 -1.0680106 14 O -1.7344998 0.7168595 0.3545012 0.7125591 -2.2770869 -0.2888462 0.2899945 -0.1854493 -1.0680106 15 O -1.7344998 -0.7168595 0.3545012 -0.7125591 -2.2770869 0.2888462 0.2899945 0.1854493 -1.0680106 16 O -1.7344998 0.7168595 0.3545012 0.7125591 -2.2770869 -0.2888462 0.2899945 -0.1854493 -1.0680106 17 O -1.1898614 0.4039363 0.2750085 0.3487868 -2.2866340 -0.6870245 0.1354904 -0.5219408 -1.5261841 18 O -1.1898614 -0.4039363 0.2750085 -0.3487868 -2.2866340 0.6870245 0.1354904 0.5219408 -1.5261841 19 O -1.1898614 0.4039363 0.2750085 0.3487868 -2.2866340 -0.6870245 0.1354904 -0.5219408 -1.5261841 20 O -1.1898614 -0.4039363 0.2750085 -0.3487868 -2.2866340 0.6870245 0.1354904 0.5219408 -1.5261841 21 Na 1.0117004 0.0101707 0.0028420 0.0107453 1.0495608 -0.0163976 0.0984719 -0.0118492 1.0867369 22 Na 1.0117004 -0.0101707 0.0028420 -0.0107453 1.0495608 0.0163976 0.0984719 0.0118492 1.0867369 23 Na 1.0117004 0.0101707 0.0028420 0.0107453 1.0495608 -0.0163976 0.0984719 -0.0118492 1.0867369 24 Na 1.0117004 -0.0101707 0.0028420 -0.0107453 1.0495608 0.0163976 0.0984719 0.0118492 1.0867369 25 Na 0.9808375 0.0020777 -0.0671534 0.0076437 1.0217634 0.0162272 -0.1307099 0.0024602 1.1775381 26 Na 0.9808375 -0.0020777 -0.0671534 -0.0076437 1.0217634 -0.0162272 -0.1307099 -0.0024602 1.1775381 27 Na 0.9808375 0.0020777 -0.0671534 0.0076437 1.0217634 0.0162272 -0.1307099 0.0024602 1.1775381 28 Na 0.9808375 -0.0020777 -0.0671534 -0.0076437 1.0217634 -0.0162272 -0.1307099 -0.0024602 1.1775381 29 Si 2.9822500 -0.2768179 -0.0276957 0.0233915 3.1409084 -0.2241083 0.1602266 0.1487054 2.7278870 30 Si 2.9822500 0.2768179 -0.0276957 -0.0233915 3.1409084 0.2241083 0.1602266 -0.1487054 2.7278870 31 Si 2.9822500 -0.2768179 -0.0276957 0.0233915 3.1409084 -0.2241083 0.1602266 0.1487054 2.7278870 32 Si 2.9822500 0.2768179 -0.0276957 -0.0233915 3.1409084 0.2241083 0.1602266 -0.1487054 2.7278870 33 Si 3.2354090 -0.3205414 0.1125690 0.1612853 3.1300782 -0.1558076 -0.1216299 0.0494841 2.5790507 34 Si 3.2354090 0.3205414 0.1125690 -0.1612853 3.1300782 0.1558076 -0.1216299 -0.0494841 2.5790507 35 Si 3.2354090 -0.3205414 0.1125690 0.1612853 3.1300782 -0.1558076 -0.1216299 0.0494841 2.5790507 36 Si 3.2354090 0.3205414 0.1125690 -0.1612853 3.1300782 0.1558076 -0.1216299 -0.0494841 2.5790507 ---------------------------------------------------------------------------- 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:28:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:28:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.150887021406476 0.000000000000000 0.000000000000000 b 0.000000000000000 4.861989910000000 0.000000000000000 c -2.995154253800790 0.000000000000000 11.961311833401657 Atomic positions (fractional): 1 O 0.90530470254716 0.74551952751796 0.06265509552618 15.999 2 O 0.09469529745284 0.24551952751796 0.43734490447382 15.999 3 O 0.09469529745284 0.25448047248204 0.93734490447382 15.999 4 O 0.90530470254716 0.75448047248204 0.56265509552618 15.999 5 O 0.38996955290719 0.73143454236139 0.40192483352449 15.999 6 O 0.61003044709281 0.23143454236139 0.09807516647551 15.999 7 O 0.61003044709281 0.26856545763861 0.59807516647551 15.999 8 O 0.38996955290719 0.76856545763861 0.90192483352449 15.999 9 O 0.22566727017686 0.74602492343343 0.17967966029054 15.999 10 O 0.77433272982313 0.24602492343343 0.32032033970946 15.999 11 O 0.77433272982313 0.25397507656657 0.82032033970946 15.999 12 O 0.22566727017686 0.75397507656657 0.67967966029054 15.999 13 O 0.45213936956733 0.12342330130463 0.26777938666207 15.999 14 O 0.54786063043267 0.62342330130463 0.23222061333793 15.999 15 O 0.54786063043267 0.87657669869537 0.73222061333793 15.999 16 O 0.45213936956733 0.37657669869537 0.76777938666207 15.999 17 O 0.01590484890245 0.14552332350056 0.71318201235676 15.999 18 O 0.98409515109755 0.64552332350056 0.78681798764324 15.999 19 O 0.98409515109755 0.85447667649944 0.28681798764324 15.999 20 O 0.01590484890245 0.35447667649944 0.21318201235676 15.999 21 Na 0.37931164159892 0.24636569719355 0.94331875395571 22.990 22 Na 0.62068835840109 0.74636569719355 0.55668124604429 22.990 23 Na 0.62068835840109 0.75363430280645 0.05668124604429 22.990 24 Na 0.37931164159892 0.25363430280645 0.44331875395571 22.990 25 Na 0.13640626306408 0.77517624855149 0.97224265732510 22.990 26 Na 0.86359373693592 0.27517624855149 0.52775734267490 22.990 27 Na 0.86359373693592 0.22482375144851 0.02775734267490 22.990 28 Na 0.13640626306408 0.72482375144851 0.47224265732510 22.990 29 Si 0.02704877119675 0.81656308761985 0.68183170003777 28.085 30 Si 0.97295122880326 0.31656308761985 0.81816829996223 28.085 31 Si 0.97295122880326 0.18343691238015 0.31816829996223 28.085 32 Si 0.02704877119675 0.68343691238015 0.18183170003777 28.085 33 Si 0.40250718531329 0.70466220298658 0.77707001557780 28.085 34 Si 0.59749281468671 0.20466220298658 0.72292998442220 28.085 35 Si 0.59749281468671 0.29533779701342 0.22292998442220 28.085 36 Si 0.40250718531329 0.79533779701342 0.27707001557780 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.301774042812951 0.000000000000000 0.000000000000000 b 0.000000000000000 9.723979820000000 0.000000000000000 c -2.995154253800790 0.000000000000000 11.961311833401657 Atomic positions (fractional): 1 O 0.45265235127358 0.37275976375898 0.06265509552618 15.999 > 1 2 O 0.95265235127358 0.37275976375898 0.06265509552618 15.999 > 1 3 O 0.45265235127358 0.87275976375898 0.06265509552618 15.999 > 1 4 O 0.95265235127358 0.87275976375898 0.06265509552618 15.999 > 1 5 O 0.04734764872642 0.12275976375898 0.43734490447382 15.999 > 5 6 O 0.54734764872642 0.12275976375898 0.43734490447382 15.999 > 5 7 O 0.04734764872642 0.62275976375898 0.43734490447382 15.999 > 5 8 O 0.54734764872642 0.62275976375898 0.43734490447382 15.999 > 5 9 O 0.04734764872642 0.12724023624102 0.93734490447382 15.999 > 9 10 O 0.54734764872642 0.12724023624102 0.93734490447382 15.999 > 9 11 O 0.04734764872642 0.62724023624102 0.93734490447382 15.999 > 9 12 O 0.54734764872642 0.62724023624102 0.93734490447382 15.999 > 9 13 O 0.45265235127358 0.37724023624102 0.56265509552618 15.999 > 13 14 O 0.95265235127358 0.37724023624102 0.56265509552618 15.999 > 13 15 O 0.45265235127358 0.87724023624102 0.56265509552618 15.999 > 13 16 O 0.95265235127358 0.87724023624102 0.56265509552618 15.999 > 13 17 O 0.19498477645360 0.36571727118069 0.40192483352449 15.999 > 17 18 O 0.69498477645360 0.36571727118069 0.40192483352449 15.999 > 17 19 O 0.19498477645360 0.86571727118069 0.40192483352449 15.999 > 17 20 O 0.69498477645360 0.86571727118069 0.40192483352449 15.999 > 17 21 O 0.30501522354640 0.11571727118069 0.09807516647551 15.999 > 21 22 O 0.80501522354640 0.11571727118069 0.09807516647551 15.999 > 21 23 O 0.30501522354640 0.61571727118069 0.09807516647551 15.999 > 21 24 O 0.80501522354640 0.61571727118069 0.09807516647551 15.999 > 21 25 O 0.30501522354640 0.13428272881931 0.59807516647551 15.999 > 25 26 O 0.80501522354640 0.13428272881931 0.59807516647551 15.999 > 25 27 O 0.30501522354640 0.63428272881931 0.59807516647551 15.999 > 25 28 O 0.80501522354640 0.63428272881931 0.59807516647551 15.999 > 25 29 O 0.19498477645360 0.38428272881931 0.90192483352449 15.999 > 29 30 O 0.69498477645360 0.38428272881931 0.90192483352449 15.999 > 29 31 O 0.19498477645360 0.88428272881931 0.90192483352449 15.999 > 29 32 O 0.69498477645360 0.88428272881931 0.90192483352449 15.999 > 29 33 O 0.11283363508843 0.37301246171671 0.17967966029054 15.999 > 33 34 O 0.61283363508843 0.37301246171671 0.17967966029054 15.999 > 33 35 O 0.11283363508843 0.87301246171671 0.17967966029054 15.999 > 33 36 O 0.61283363508843 0.87301246171671 0.17967966029054 15.999 > 33 37 O 0.38716636491157 0.12301246171671 0.32032033970946 15.999 > 37 38 O 0.88716636491157 0.12301246171671 0.32032033970946 15.999 > 37 39 O 0.38716636491157 0.62301246171671 0.32032033970946 15.999 > 37 40 O 0.88716636491157 0.62301246171671 0.32032033970946 15.999 > 37 41 O 0.38716636491157 0.12698753828328 0.82032033970946 15.999 > 41 42 O 0.88716636491157 0.12698753828328 0.82032033970946 15.999 > 41 43 O 0.38716636491157 0.62698753828329 0.82032033970946 15.999 > 41 44 O 0.88716636491157 0.62698753828329 0.82032033970946 15.999 > 41 45 O 0.11283363508843 0.37698753828329 0.67967966029054 15.999 > 45 46 O 0.61283363508843 0.37698753828329 0.67967966029054 15.999 > 45 47 O 0.11283363508843 0.87698753828329 0.67967966029054 15.999 > 45 48 O 0.61283363508843 0.87698753828329 0.67967966029054 15.999 > 45 49 O 0.22606968478366 0.06171165065231 0.26777938666207 15.999 > 49 50 O 0.72606968478366 0.06171165065231 0.26777938666207 15.999 > 49 51 O 0.22606968478366 0.56171165065231 0.26777938666207 15.999 > 49 52 O 0.72606968478366 0.56171165065231 0.26777938666207 15.999 > 49 53 O 0.27393031521634 0.31171165065231 0.23222061333793 15.999 > 53 54 O 0.77393031521634 0.31171165065231 0.23222061333793 15.999 > 53 55 O 0.27393031521634 0.81171165065231 0.23222061333793 15.999 > 53 56 O 0.77393031521634 0.81171165065231 0.23222061333793 15.999 > 53 57 O 0.27393031521634 0.43828834934769 0.73222061333793 15.999 > 57 58 O 0.77393031521634 0.43828834934769 0.73222061333793 15.999 > 57 59 O 0.27393031521634 0.93828834934769 0.73222061333793 15.999 > 57 60 O 0.77393031521634 0.93828834934769 0.73222061333793 15.999 > 57 61 O 0.22606968478366 0.18828834934769 0.76777938666207 15.999 > 61 62 O 0.72606968478366 0.18828834934769 0.76777938666207 15.999 > 61 63 O 0.22606968478366 0.68828834934769 0.76777938666207 15.999 > 61 64 O 0.72606968478366 0.68828834934769 0.76777938666207 15.999 > 61 65 O 0.00795242445123 0.07276166175028 0.71318201235676 15.999 > 65 66 O 0.50795242445123 0.07276166175028 0.71318201235676 15.999 > 65 67 O 0.00795242445123 0.57276166175028 0.71318201235676 15.999 > 65 68 O 0.50795242445123 0.57276166175028 0.71318201235676 15.999 > 65 69 O 0.49204757554877 0.32276166175028 0.78681798764324 15.999 > 69 70 O 0.99204757554877 0.32276166175028 0.78681798764324 15.999 > 69 71 O 0.49204757554877 0.82276166175028 0.78681798764324 15.999 > 69 72 O 0.99204757554877 0.82276166175028 0.78681798764324 15.999 > 69 73 O 0.49204757554877 0.42723833824972 0.28681798764324 15.999 > 73 74 O 0.99204757554877 0.42723833824972 0.28681798764324 15.999 > 73 75 O 0.49204757554877 0.92723833824972 0.28681798764324 15.999 > 73 76 O 0.99204757554877 0.92723833824972 0.28681798764324 15.999 > 73 77 O 0.00795242445123 0.17723833824972 0.21318201235676 15.999 > 77 78 O 0.50795242445123 0.17723833824972 0.21318201235676 15.999 > 77 79 O 0.00795242445123 0.67723833824972 0.21318201235676 15.999 > 77 80 O 0.50795242445123 0.67723833824972 0.21318201235676 15.999 > 77 81 Na 0.18965582079946 0.12318284859677 0.94331875395571 22.990 > 81 82 Na 0.68965582079946 0.12318284859677 0.94331875395571 22.990 > 81 83 Na 0.18965582079946 0.62318284859677 0.94331875395571 22.990 > 81 84 Na 0.68965582079946 0.62318284859677 0.94331875395571 22.990 > 81 85 Na 0.31034417920054 0.37318284859677 0.55668124604429 22.990 > 85 86 Na 0.81034417920054 0.37318284859677 0.55668124604429 22.990 > 85 87 Na 0.31034417920054 0.87318284859677 0.55668124604429 22.990 > 85 88 Na 0.81034417920054 0.87318284859677 0.55668124604429 22.990 > 85 89 Na 0.31034417920054 0.37681715140323 0.05668124604429 22.990 > 89 90 Na 0.81034417920054 0.37681715140323 0.05668124604429 22.990 > 89 91 Na 0.31034417920054 0.87681715140323 0.05668124604429 22.990 > 89 92 Na 0.81034417920054 0.87681715140323 0.05668124604429 22.990 > 89 93 Na 0.18965582079946 0.12681715140323 0.44331875395571 22.990 > 93 94 Na 0.68965582079946 0.12681715140323 0.44331875395571 22.990 > 93 95 Na 0.18965582079946 0.62681715140323 0.44331875395571 22.990 > 93 96 Na 0.68965582079946 0.62681715140323 0.44331875395571 22.990 > 93 97 Na 0.06820313153204 0.38758812427575 0.97224265732510 22.990 > 97 98 Na 0.56820313153204 0.38758812427575 0.97224265732510 22.990 > 97 99 Na 0.06820313153204 0.88758812427575 0.97224265732510 22.990 > 97 100 Na 0.56820313153204 0.88758812427575 0.97224265732510 22.990 > 97 101 Na 0.43179686846796 0.13758812427575 0.52775734267490 22.990 > 101 102 Na 0.93179686846796 0.13758812427575 0.52775734267490 22.990 > 101 103 Na 0.43179686846796 0.63758812427575 0.52775734267490 22.990 > 101 104 Na 0.93179686846796 0.63758812427575 0.52775734267490 22.990 > 101 105 Na 0.43179686846796 0.11241187572425 0.02775734267490 22.990 > 105 106 Na 0.93179686846796 0.11241187572425 0.02775734267490 22.990 > 105 107 Na 0.43179686846796 0.61241187572425 0.02775734267490 22.990 > 105 108 Na 0.93179686846796 0.61241187572425 0.02775734267490 22.990 > 105 109 Na 0.06820313153204 0.36241187572425 0.47224265732510 22.990 > 109 110 Na 0.56820313153204 0.36241187572425 0.47224265732510 22.990 > 109 111 Na 0.06820313153204 0.86241187572425 0.47224265732510 22.990 > 109 112 Na 0.56820313153204 0.86241187572425 0.47224265732510 22.990 > 109 113 Si 0.01352438559837 0.40828154380992 0.68183170003777 28.085 > 113 114 Si 0.51352438559837 0.40828154380992 0.68183170003777 28.085 > 113 115 Si 0.01352438559837 0.90828154380992 0.68183170003777 28.085 > 113 116 Si 0.51352438559837 0.90828154380992 0.68183170003777 28.085 > 113 117 Si 0.48647561440163 0.15828154380993 0.81816829996223 28.085 > 117 118 Si 0.98647561440163 0.15828154380993 0.81816829996223 28.085 > 117 119 Si 0.48647561440163 0.65828154380992 0.81816829996223 28.085 > 117 120 Si 0.98647561440163 0.65828154380992 0.81816829996223 28.085 > 117 121 Si 0.48647561440163 0.09171845619008 0.31816829996223 28.085 > 121 122 Si 0.98647561440163 0.09171845619008 0.31816829996223 28.085 > 121 123 Si 0.48647561440163 0.59171845619008 0.31816829996223 28.085 > 121 124 Si 0.98647561440163 0.59171845619008 0.31816829996223 28.085 > 121 125 Si 0.01352438559837 0.34171845619008 0.18183170003777 28.085 > 125 126 Si 0.51352438559837 0.34171845619008 0.18183170003777 28.085 > 125 127 Si 0.01352438559837 0.84171845619008 0.18183170003777 28.085 > 125 128 Si 0.51352438559837 0.84171845619008 0.18183170003777 28.085 > 125 129 Si 0.20125359265664 0.35233110149329 0.77707001557780 28.085 > 129 130 Si 0.70125359265664 0.35233110149329 0.77707001557780 28.085 > 129 131 Si 0.20125359265664 0.85233110149329 0.77707001557780 28.085 > 129 132 Si 0.70125359265664 0.85233110149329 0.77707001557780 28.085 > 129 133 Si 0.29874640734336 0.10233110149329 0.72292998442220 28.085 > 133 134 Si 0.79874640734336 0.10233110149329 0.72292998442220 28.085 > 133 135 Si 0.29874640734336 0.60233110149329 0.72292998442220 28.085 > 133 136 Si 0.79874640734336 0.60233110149329 0.72292998442220 28.085 > 133 137 Si 0.29874640734336 0.14766889850671 0.22292998442220 28.085 > 137 138 Si 0.79874640734336 0.14766889850671 0.22292998442220 28.085 > 137 139 Si 0.29874640734336 0.64766889850671 0.22292998442220 28.085 > 137 140 Si 0.79874640734336 0.64766889850671 0.22292998442220 28.085 > 137 141 Si 0.20125359265664 0.39766889850671 0.27707001557780 28.085 > 141 142 Si 0.70125359265664 0.39766889850671 0.27707001557780 28.085 > 141 143 Si 0.20125359265664 0.89766889850671 0.27707001557780 28.085 > 141 144 Si 0.70125359265664 0.89766889850671 0.27707001557780 28.085 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4192514 0.0000000 0.0009218 0.0000000 2.4365805 0.0000000 0.0009212 0.0000000 2.3827198 -------------------------- Born effective charges -------------------------- 1 O -1.3824923 0.0117509 -0.1662234 0.0462075 -1.3812476 0.0362891 -0.1224598 0.0967726 -1.7116677 2 O -1.3824923 -0.0117509 -0.1662234 -0.0462075 -1.3812476 -0.0362891 -0.1224598 -0.0967726 -1.7116677 3 O -1.3824923 0.0117509 -0.1662234 0.0462075 -1.3812476 0.0362891 -0.1224598 0.0967726 -1.7116677 4 O -1.3824923 -0.0117509 -0.1662234 -0.0462075 -1.3812476 -0.0362891 -0.1224598 -0.0967726 -1.7116677 5 O -1.3854137 -0.0651308 0.1236482 0.0084049 -1.3607878 0.0704510 0.0975675 0.1029264 -1.8035604 6 O -1.3854137 0.0651308 0.1236482 -0.0084049 -1.3607878 -0.0704510 0.0975675 -0.1029264 -1.8035604 7 O -1.3854137 -0.0651308 0.1236482 0.0084049 -1.3607878 0.0704510 0.0975675 0.1029264 -1.8035604 8 O -1.3854137 0.0651308 0.1236482 -0.0084049 -1.3607878 -0.0704510 0.0975675 -0.1029264 -1.8035604 9 O -2.5179297 -0.2789196 -0.6074963 -0.1857659 -1.0365545 -0.1279813 -0.4069514 -0.0428974 -1.4617899 10 O -2.5179297 0.2789196 -0.6074963 0.1857659 -1.0365545 0.1279813 -0.4069514 0.0428974 -1.4617899 11 O -2.5179297 -0.2789196 -0.6074963 -0.1857659 -1.0365545 -0.1279813 -0.4069514 -0.0428974 -1.4617899 12 O -2.5179297 0.2789196 -0.6074963 0.1857659 -1.0365545 0.1279813 -0.4069514 0.0428974 -1.4617899 13 O -1.7344998 -0.7168595 0.3545012 -0.7125591 -2.2770869 0.2888462 0.2899945 0.1854493 -1.0680106 14 O -1.7344998 0.7168595 0.3545012 0.7125591 -2.2770869 -0.2888462 0.2899945 -0.1854493 -1.0680106 15 O -1.7344998 -0.7168595 0.3545012 -0.7125591 -2.2770869 0.2888462 0.2899945 0.1854493 -1.0680106 16 O -1.7344998 0.7168595 0.3545012 0.7125591 -2.2770869 -0.2888462 0.2899945 -0.1854493 -1.0680106 17 O -1.1898614 0.4039363 0.2750085 0.3487868 -2.2866340 -0.6870245 0.1354904 -0.5219408 -1.5261841 18 O -1.1898614 -0.4039363 0.2750085 -0.3487868 -2.2866340 0.6870245 0.1354904 0.5219408 -1.5261841 19 O -1.1898614 0.4039363 0.2750085 0.3487868 -2.2866340 -0.6870245 0.1354904 -0.5219408 -1.5261841 20 O -1.1898614 -0.4039363 0.2750085 -0.3487868 -2.2866340 0.6870245 0.1354904 0.5219408 -1.5261841 21 Na 1.0117004 0.0101707 0.0028420 0.0107453 1.0495608 -0.0163976 0.0984719 -0.0118492 1.0867369 22 Na 1.0117004 -0.0101707 0.0028420 -0.0107453 1.0495608 0.0163976 0.0984719 0.0118492 1.0867369 23 Na 1.0117004 0.0101707 0.0028420 0.0107453 1.0495608 -0.0163976 0.0984719 -0.0118492 1.0867369 24 Na 1.0117004 -0.0101707 0.0028420 -0.0107453 1.0495608 0.0163976 0.0984719 0.0118492 1.0867369 25 Na 0.9808375 0.0020777 -0.0671534 0.0076437 1.0217634 0.0162272 -0.1307099 0.0024602 1.1775381 26 Na 0.9808375 -0.0020777 -0.0671534 -0.0076437 1.0217634 -0.0162272 -0.1307099 -0.0024602 1.1775381 27 Na 0.9808375 0.0020777 -0.0671534 0.0076437 1.0217634 0.0162272 -0.1307099 0.0024602 1.1775381 28 Na 0.9808375 -0.0020777 -0.0671534 -0.0076437 1.0217634 -0.0162272 -0.1307099 -0.0024602 1.1775381 29 Si 2.9822500 -0.2768179 -0.0276957 0.0233915 3.1409084 -0.2241083 0.1602266 0.1487054 2.7278870 30 Si 2.9822500 0.2768179 -0.0276957 -0.0233915 3.1409084 0.2241083 0.1602266 -0.1487054 2.7278870 31 Si 2.9822500 -0.2768179 -0.0276957 0.0233915 3.1409084 -0.2241083 0.1602266 0.1487054 2.7278870 32 Si 2.9822500 0.2768179 -0.0276957 -0.0233915 3.1409084 0.2241083 0.1602266 -0.1487054 2.7278870 33 Si 3.2354090 -0.3205414 0.1125690 0.1612853 3.1300782 -0.1558076 -0.1216299 0.0494841 2.5790507 34 Si 3.2354090 0.3205414 0.1125690 -0.1612853 3.1300782 0.1558076 -0.1216299 -0.0494841 2.5790507 35 Si 3.2354090 -0.3205414 0.1125690 0.1612853 3.1300782 -0.1558076 -0.1216299 0.0494841 2.5790507 36 Si 3.2354090 0.3205414 0.1125690 -0.1612853 3.1300782 0.1558076 -0.1216299 -0.0494841 2.5790507 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 10 4 ] 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: 0.53, Number of G-points: 299, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 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 1.672 ( 0.000 0.000 0.000) 0.000 1.949 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.600 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.678 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 4.101 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 0.000) 0.000 4.933 ( 0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.753 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.197 ( 0.000 0.000 0.000) 0.000 6.214 ( 0.000 0.000 0.000) 0.000 6.319 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.407 ( 0.000 0.000 0.000) 0.000 6.437 ( 0.000 0.000 0.000) 0.000 6.592 ( 0.000 0.000 0.000) 0.000 6.663 ( 0.000 0.000 0.000) 0.000 6.739 ( 0.000 0.000 0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 7.012 ( 0.000 0.000 0.000) 0.000 7.182 ( 0.000 0.000 0.000) 0.000 7.711 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 7.774 ( 0.000 0.000 0.000) 0.000 8.005 ( 0.000 0.000 0.000) 0.000 8.050 ( 0.000 0.000 0.000) 0.000 8.104 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.687 ( 0.000 0.000 0.000) 0.000 9.209 ( 0.000 0.000 0.000) 0.000 9.243 ( 0.000 0.000 0.000) 0.000 9.536 ( 0.000 0.000 0.000) 0.000 9.594 ( 0.000 0.000 0.000) 0.000 9.603 ( 0.000 0.000 0.000) 0.000 9.797 ( 0.000 0.000 0.000) 0.000 10.346 ( 0.000 0.000 0.000) 0.000 10.824 ( 0.000 0.000 0.000) 0.000 10.880 ( 0.000 0.000 0.000) 0.000 11.061 ( 0.000 0.000 0.000) 0.000 11.380 ( 0.000 0.000 0.000) 0.000 11.431 ( 0.000 0.000 0.000) 0.000 11.466 ( 0.000 0.000 0.000) 0.000 11.513 ( 0.000 0.000 0.000) 0.000 12.980 ( 0.000 0.000 0.000) 0.000 13.007 ( 0.000 0.000 0.000) 0.000 13.164 ( 0.000 0.000 0.000) 0.000 13.239 ( 0.000 0.000 0.000) 0.000 13.809 ( 0.000 0.000 0.000) 0.000 13.828 ( 0.000 0.000 0.000) 0.000 13.859 ( 0.000 0.000 0.000) 0.000 13.879 ( 0.000 0.000 0.000) 0.000 14.453 ( 0.000 0.000 0.000) 0.000 14.607 ( 0.000 0.000 0.000) 0.000 15.581 ( 0.000 0.000 0.000) 0.000 15.636 ( 0.000 0.000 0.000) 0.000 15.674 ( 0.000 0.000 0.000) 0.000 15.735 ( 0.000 0.000 0.000) 0.000 17.495 ( 0.000 0.000 0.000) 0.000 17.519 ( 0.000 0.000 0.000) 0.000 20.349 ( 0.000 0.000 0.000) 0.000 20.443 ( 0.000 0.000 0.000) 0.000 22.072 ( 0.000 0.000 0.000) 0.000 22.099 ( 0.000 0.000 0.000) 0.000 22.103 ( 0.000 0.000 0.000) 0.000 22.193 ( 0.000 0.000 0.000) 0.000 22.386 ( 0.000 0.000 0.000) 0.000 22.535 ( 0.000 0.000 0.000) 0.000 28.336 ( 0.000 0.000 0.000) 0.000 28.427 ( 0.000 0.000 0.000) 0.000 28.459 ( 0.000 0.000 0.000) 0.000 28.557 ( 0.000 0.000 0.000) 0.000 28.566 ( 0.000 0.000 0.000) 0.000 28.715 ( 0.000 0.000 0.000) 0.000 28.906 ( 0.000 0.000 0.000) 0.000 28.908 ( 0.000 0.000 0.000) 0.000 29.815 ( 0.000 0.000 0.000) 0.000 29.837 ( 0.000 0.000 0.000) 0.000 30.011 ( 0.000 0.000 0.000) 0.000 30.341 ( 0.000 0.000 0.000) 0.000 30.849 ( 0.000 0.000 0.000) 0.000 30.932 ( 0.000 0.000 0.000) 0.000 31.196 ( 0.000 0.000 0.000) 0.000 31.352 ( 0.000 0.000 0.000) 0.000 31.683 ( 0.000 0.000 0.000) 0.000 31.820 ( 0.000 0.000 0.000) 0.000 32.083 ( 0.000 0.000 0.000) 0.000 33.949 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 30.018 0.000 -3.092) 30.177 0.832 ( 37.937 0.000 0.662) 37.942 1.425 ( 63.743 0.000 12.147) 64.891 1.981 ( 24.965 0.000 -1.146) 24.991 2.193 ( 19.379 0.000 0.436) 19.384 2.664 ( -25.990 0.000 4.071) 26.307 2.705 ( -16.104 0.000 -3.408) 16.461 3.132 ( -5.685 0.000 -3.360) 6.604 3.446 ( -2.984 0.000 3.939) 4.942 3.516 ( 5.612 0.000 9.442) 10.984 3.639 ( 7.405 0.000 -2.632) 7.859 3.730 ( 4.031 0.000 -2.267) 4.625 3.772 ( -5.141 0.000 -4.456) 6.803 3.890 ( 20.457 0.000 -8.411) 22.119 4.045 ( 7.735 0.000 0.470) 7.749 4.183 ( 12.486 0.000 -6.452) 14.054 4.436 ( -0.158 0.000 2.633) 2.637 4.719 ( -8.080 0.000 4.060) 9.042 4.983 ( -6.955 0.000 0.369) 6.965 4.986 ( 3.871 0.000 -3.619) 5.299 5.007 ( 1.815 0.000 9.826) 9.992 5.059 ( 0.504 0.000 3.796) 3.829 5.199 ( -4.020 0.000 -6.760) 7.865 5.422 ( -4.734 0.000 -4.612) 6.609 5.510 ( 9.262 0.000 -6.672) 11.415 5.558 ( -3.010 0.000 -1.239) 3.255 5.644 ( -2.342 0.000 7.152) 7.525 5.661 ( -4.366 0.000 -4.729) 6.436 5.767 ( 1.507 0.000 0.456) 1.574 5.951 ( -13.022 0.000 -6.376) 14.500 6.085 ( 1.427 0.000 4.572) 4.789 6.232 ( 6.169 0.000 5.951) 8.572 6.284 ( -0.651 0.000 -0.776) 1.013 6.328 ( -1.641 0.000 -4.630) 4.912 6.492 ( -7.959 0.000 5.074) 9.439 6.553 ( 7.767 0.000 -5.647) 9.603 6.555 ( -2.302 0.000 -7.376) 7.727 6.618 ( 4.030 0.000 14.110) 14.675 6.819 ( -12.350 0.000 -6.003) 13.732 6.868 ( 0.931 0.000 7.325) 7.384 7.163 ( -5.512 0.000 7.013) 8.920 7.173 ( 4.070 0.000 -5.296) 6.679 7.393 ( -20.918 0.000 4.670) 21.433 7.466 ( -20.957 0.000 -5.149) 21.580 7.743 ( 0.235 0.000 1.685) 1.701 7.982 ( -9.044 0.000 -0.911) 9.090 8.017 ( 1.215 0.000 0.263) 1.243 8.212 ( -2.867 0.000 -0.701) 2.952 8.225 ( 3.402 0.000 5.267) 6.270 8.669 ( -1.399 0.000 -0.379) 1.449 9.144 ( -15.537 0.000 -6.563) 16.866 9.420 ( 13.270 0.000 1.139) 13.319 9.479 ( 14.152 0.000 0.563) 14.163 9.647 ( -10.830 0.000 9.120) 14.159 9.886 ( 13.552 0.000 1.978) 13.696 9.944 ( 3.773 0.000 1.571) 4.087 10.458 ( 1.158 0.000 0.087) 1.162 10.705 ( -9.772 0.000 0.171) 9.774 10.845 ( -5.058 0.000 -0.281) 5.066 11.011 ( -5.648 0.000 0.302) 5.656 11.485 ( 5.639 0.000 -2.459) 6.151 11.496 ( 7.868 0.000 1.972) 8.111 11.564 ( 11.192 0.000 -2.553) 11.480 11.615 ( 11.113 0.000 -0.152) 11.114 12.750 ( -14.748 0.000 0.933) 14.777 13.026 ( -12.795 0.000 -0.121) 12.795 13.310 ( 4.605 0.000 -0.621) 4.647 13.658 ( 9.842 0.000 -2.081) 10.059 13.751 ( 2.329 0.000 -2.069) 3.115 13.810 ( -2.293 0.000 0.003) 2.293 14.136 ( 16.185 0.000 -0.114) 16.185 14.369 ( 4.341 0.000 0.137) 4.343 14.631 ( 1.444 0.000 0.042) 1.445 15.042 ( -7.368 0.000 -7.000) 10.163 15.513 ( -5.667 0.000 -1.400) 5.837 15.576 ( -5.466 0.000 0.520) 5.490 15.810 ( 7.577 0.000 -0.510) 7.594 15.895 ( 17.546 0.000 -8.362) 19.437 17.377 ( -11.084 0.000 1.010) 11.130 17.381 ( -12.192 0.000 -1.924) 12.343 20.480 ( 10.682 0.000 3.404) 11.211 20.567 ( 11.166 0.000 0.412) 11.174 21.967 ( -10.526 0.000 1.788) 10.677 22.001 ( -8.006 0.000 -1.459) 8.138 22.211 ( 1.599 0.000 -3.894) 4.209 22.234 ( 1.264 0.000 0.690) 1.440 22.392 ( 0.716 0.000 -3.476) 3.549 22.536 ( -0.109 0.000 0.647) 0.657 28.442 ( 6.798 0.000 -0.087) 6.798 28.551 ( 0.223 0.000 -0.104) 0.246 28.566 ( 0.062 0.000 -0.125) 0.140 28.665 ( 19.966 0.000 -1.139) 19.999 28.781 ( 6.291 0.000 1.003) 6.371 28.907 ( 0.157 0.000 0.078) 0.176 28.915 ( 1.148 0.000 -0.353) 1.201 29.668 ( -7.571 0.000 -0.073) 7.571 29.714 ( -9.910 0.000 5.032) 11.114 29.986 ( -1.990 0.000 -3.516) 4.040 30.306 ( -2.527 0.000 -1.120) 2.764 30.803 ( 18.145 0.000 -66.277) 68.715 30.916 ( 5.715 0.000 1.315) 5.864 30.992 ( 5.547 0.000 -4.032) 6.858 31.182 ( -1.817 0.000 2.424) 3.030 31.647 ( -2.699 0.000 -0.894) 2.843 31.748 ( 10.710 0.000 -38.741) 40.194 31.923 ( 9.329 0.000 -0.792) 9.363 32.774 ( -25.027 0.000 95.019) 98.260 33.783 ( -15.477 0.000 0.369) 15.481 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 26.515 0.000 -4.706) 26.930 1.531 ( 29.998 0.000 0.220) 29.999 2.207 ( -13.804 0.000 -0.911) 13.834 2.209 ( -24.399 0.000 3.002) 24.583 2.378 ( 0.239 0.000 3.825) 3.833 2.557 ( 29.199 0.000 4.366) 29.524 2.675 ( 26.395 0.000 -2.992) 26.564 2.969 ( -6.554 0.000 -5.742) 8.714 3.358 ( 5.986 0.000 -0.236) 5.991 3.569 ( 3.401 0.000 8.062) 8.750 3.780 ( 8.230 0.000 -0.519) 8.246 3.944 ( 7.993 0.000 1.074) 8.065 3.962 ( 18.639 0.000 -1.492) 18.699 4.140 ( 0.478 0.000 -10.023) 10.034 4.242 ( 9.294 0.000 -0.845) 9.333 4.427 ( 6.868 0.000 -1.505) 7.031 4.557 ( 13.897 0.000 4.023) 14.468 4.637 ( 8.585 0.000 4.620) 9.749 4.760 ( -11.760 0.000 -2.441) 12.011 5.033 ( -1.824 0.000 -0.770) 1.980 5.035 ( -7.535 0.000 5.331) 9.230 5.089 ( 5.622 0.000 4.122) 6.972 5.159 ( 1.714 0.000 3.603) 3.990 5.277 ( -7.598 0.000 0.412) 7.609 5.413 ( -3.679 0.000 -4.735) 5.996 5.464 ( -7.738 0.000 -3.510) 8.497 5.611 ( 0.927 0.000 -4.147) 4.250 5.723 ( 5.939 0.000 -1.242) 6.068 5.798 ( -2.174 0.000 -3.648) 4.246 5.802 ( 1.462 0.000 0.663) 1.605 6.004 ( -9.336 0.000 -1.027) 9.392 6.106 ( -20.518 0.000 -0.661) 20.528 6.294 ( -1.401 0.000 -0.386) 1.453 6.362 ( -13.463 0.000 -12.141) 18.129 6.389 ( -6.754 0.000 5.586) 8.765 6.435 ( 1.440 0.000 4.660) 4.878 6.467 ( -9.464 0.000 8.378) 12.640 6.559 ( -8.817 0.000 0.860) 8.859 6.673 ( 4.387 0.000 -3.586) 5.666 6.823 ( -14.983 0.000 -8.275) 17.116 6.998 ( 5.713 0.000 5.984) 8.273 7.189 ( -3.546 0.000 3.385) 4.902 7.224 ( 0.272 0.000 -1.364) 1.391 7.270 ( 2.588 0.000 4.266) 4.990 7.763 ( -0.545 0.000 -1.123) 1.248 7.846 ( -0.218 0.000 -1.928) 1.940 8.063 ( 3.157 0.000 0.414) 3.184 8.157 ( -2.150 0.000 1.136) 2.431 8.237 ( -3.015 0.000 3.796) 4.848 8.617 ( -3.432 0.000 0.064) 3.433 8.812 ( -10.626 0.000 -5.713) 12.064 9.299 ( -14.906 0.000 4.451) 15.556 9.839 ( 14.193 0.000 0.331) 14.197 9.849 ( 17.943 0.000 1.102) 17.977 10.072 ( 8.868 0.000 -0.379) 8.876 10.128 ( 9.092 0.000 3.515) 9.748 10.450 ( -2.804 0.000 3.156) 4.221 10.488 ( -9.025 0.000 -3.766) 9.779 10.661 ( -12.388 0.000 0.346) 12.393 10.838 ( -9.958 0.000 -0.841) 9.993 11.651 ( 10.677 0.000 -1.540) 10.787 11.685 ( 9.385 0.000 2.424) 9.693 11.821 ( 12.158 0.000 -3.048) 12.534 11.859 ( 8.428 0.000 0.707) 8.458 12.470 ( -11.913 0.000 1.531) 12.011 12.814 ( -6.599 0.000 -0.266) 6.605 13.287 ( -4.326 0.000 0.736) 4.388 13.594 ( -7.313 0.000 -4.021) 8.345 13.886 ( 8.576 0.000 -1.350) 8.681 13.950 ( 8.877 0.000 0.901) 8.922 14.458 ( 3.106 0.000 -0.339) 3.125 14.460 ( 13.343 0.000 -0.070) 13.343 14.638 ( -0.102 0.000 -0.307) 0.323 14.896 ( -3.334 0.000 -1.659) 3.724 15.372 ( -6.886 0.000 -0.497) 6.904 15.436 ( -7.742 0.000 0.396) 7.752 16.040 ( 14.399 0.000 -0.977) 14.432 16.239 ( 18.306 0.000 -4.055) 18.750 17.054 ( -17.247 0.000 -1.641) 17.325 17.092 ( -16.211 0.000 1.504) 16.281 20.772 ( 14.706 0.000 1.924) 14.832 20.852 ( 15.151 0.000 -0.427) 15.157 21.723 ( -13.432 0.000 1.934) 13.570 21.790 ( -11.068 0.000 -1.062) 11.119 22.210 ( -0.119 0.000 -1.291) 1.296 22.241 ( -0.520 0.000 0.671) 0.849 22.389 ( 0.156 0.000 -1.233) 1.242 22.536 ( -0.190 0.000 0.612) 0.641 28.550 ( -0.100 0.000 -0.037) 0.107 28.564 ( 0.117 0.000 0.340) 0.360 28.615 ( 8.005 0.000 1.396) 8.126 28.859 ( 2.193 0.000 -0.783) 2.329 28.918 ( 1.014 0.000 0.349) 1.073 28.988 ( 9.323 0.000 -3.892) 10.103 29.166 ( 18.703 0.000 3.297) 18.992 29.472 ( -9.595 0.000 -2.744) 9.980 29.528 ( -8.374 0.000 7.825) 11.461 29.886 ( -5.941 0.000 -4.564) 7.492 30.254 ( -1.710 0.000 -0.535) 1.792 30.846 ( 8.499 0.000 -25.281) 26.671 31.059 ( 6.268 0.000 2.305) 6.679 31.076 ( 3.391 0.000 -0.739) 3.471 31.153 ( -2.037 0.000 2.454) 3.189 31.584 ( -2.382 0.000 -1.604) 2.872 31.771 ( 4.246 0.000 -12.787) 13.474 32.157 ( 13.013 0.000 -1.208) 13.069 32.745 ( -9.298 0.000 31.666) 33.003 33.390 ( -20.510 0.000 0.066) 20.511 ======================= Grid point 3 (4/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 0.000 0.000 -0.000) 0.000 1.773 ( 0.000 0.000 -0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.022 ( -0.000 0.000 -0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 2.863 ( 0.000 0.000 0.000) 0.000 2.869 ( -0.000 0.000 -0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 3.903 ( -0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 3.979 ( 0.000 0.000 -0.000) 0.000 4.254 ( 0.000 0.000 -0.000) 0.000 4.259 ( -0.000 0.000 -0.000) 0.000 4.411 ( -0.000 0.000 0.000) 0.000 4.611 ( 0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 -0.000) 0.000 4.845 ( 0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 -0.000) 0.000 5.106 ( 0.000 0.000 -0.000) 0.000 5.160 ( -0.000 0.000 0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 -0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.634 ( -0.000 0.000 -0.000) 0.000 5.639 ( 0.000 0.000 -0.000) 0.000 5.644 ( -0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 -0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 6.100 ( 0.000 0.000 -0.000) 0.000 6.274 ( 0.000 0.000 0.000) 0.000 6.314 ( -0.000 0.000 0.000) 0.000 6.385 ( 0.000 0.000 -0.000) 0.000 6.448 ( 0.000 0.000 -0.000) 0.000 6.481 ( 0.000 0.000 -0.000) 0.000 6.711 ( 0.000 0.000 -0.000) 0.000 6.732 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 -0.000) 0.000 7.196 ( 0.000 0.000 0.000) 0.000 7.220 ( 0.000 0.000 -0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 7.741 ( 0.000 0.000 -0.000) 0.000 7.875 ( 0.000 0.000 -0.000) 0.000 8.124 ( 0.000 0.000 0.000) 0.000 8.144 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 -0.000) 0.000 8.572 ( 0.000 0.000 -0.000) 0.000 8.692 ( 0.000 0.000 0.000) 0.000 9.123 ( -0.000 0.000 0.000) 0.000 9.982 ( 0.000 0.000 0.000) 0.000 10.075 ( 0.000 0.000 -0.000) 0.000 10.259 ( 0.000 0.000 -0.000) 0.000 10.327 ( 0.000 0.000 0.000) 0.000 10.377 ( -0.000 0.000 0.000) 0.000 10.381 ( 0.000 0.000 -0.000) 0.000 10.395 ( -0.000 0.000 0.000) 0.000 10.699 ( 0.000 0.000 -0.000) 0.000 11.814 ( 0.000 0.000 -0.000) 0.000 11.841 ( 0.000 0.000 0.000) 0.000 11.904 ( 0.000 0.000 -0.000) 0.000 11.912 ( 0.000 0.000 -0.000) 0.000 12.348 ( 0.000 0.000 0.000) 0.000 12.759 ( 0.000 0.000 -0.000) 0.000 13.230 ( 0.000 0.000 0.000) 0.000 13.487 ( 0.000 0.000 -0.000) 0.000 13.986 ( 0.000 0.000 0.000) 0.000 14.055 ( 0.000 0.000 0.000) 0.000 14.479 ( 0.000 0.000 0.000) 0.000 14.564 ( 0.000 0.000 0.000) 0.000 14.684 ( 0.000 0.000 0.000) 0.000 14.877 ( 0.000 0.000 0.000) 0.000 15.284 ( 0.000 0.000 -0.000) 0.000 15.333 ( 0.000 0.000 0.000) 0.000 16.256 ( 0.000 0.000 0.000) 0.000 16.498 ( 0.000 0.000 -0.000) 0.000 16.803 ( 0.000 0.000 -0.000) 0.000 16.847 ( 0.000 0.000 0.000) 0.000 20.973 ( 0.000 0.000 0.000) 0.000 21.062 ( 0.000 0.000 0.000) 0.000 21.537 ( 0.000 0.000 0.000) 0.000 21.634 ( 0.000 0.000 -0.000) 0.000 22.204 ( 0.000 0.000 -0.000) 0.000 22.235 ( 0.000 0.000 0.000) 0.000 22.387 ( 0.000 0.000 0.000) 0.000 22.536 ( 0.000 0.000 0.000) 0.000 28.548 ( 0.000 0.000 -0.000) 0.000 28.565 ( 0.000 0.000 -0.000) 0.000 28.717 ( 0.000 0.000 -0.000) 0.000 28.872 ( 0.000 0.000 0.000) 0.000 28.943 ( 0.000 0.000 -0.000) 0.000 29.172 ( 0.000 0.000 -0.000) 0.000 29.209 ( -0.000 0.000 0.000) 0.000 29.336 ( 0.000 0.000 0.000) 0.000 29.677 ( 0.000 0.000 0.000) 0.000 29.680 ( -0.000 0.000 -0.000) 0.000 30.235 ( 0.000 0.000 -0.000) 0.000 30.872 ( 0.000 0.000 0.000) 0.000 31.112 ( 0.000 0.000 -0.000) 0.000 31.134 ( 0.000 0.000 0.000) 0.000 31.142 ( 0.000 0.000 0.000) 0.000 31.551 ( 0.000 0.000 0.000) 0.000 31.783 ( 0.000 0.000 0.000) 0.000 32.336 ( 0.000 0.000 0.000) 0.000 32.729 ( 0.000 0.000 0.000) 0.000 33.119 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/84) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.000 30.215 0.000) 30.215 0.847 ( 0.000 40.804 0.000) 40.804 1.099 ( 0.000 52.722 0.000) 52.722 1.941 ( 0.000 23.867 0.000) 23.867 2.266 ( 0.000 22.515 0.000) 22.515 2.830 ( 0.000 -11.402 0.000) 11.402 3.057 ( 0.000 6.422 0.000) 6.422 3.189 ( 0.000 5.395 0.000) 5.395 3.247 ( 0.000 -4.727 0.000) 4.727 3.368 ( 0.000 3.133 0.000) 3.133 3.672 ( 0.000 2.418 0.000) 2.418 3.740 ( 0.000 9.644 0.000) 9.644 3.852 ( 0.000 10.860 0.000) 10.860 3.975 ( 0.000 7.237 0.000) 7.237 4.153 ( 0.000 11.034 0.000) 11.034 4.313 ( 0.000 21.159 0.000) 21.159 4.577 ( 0.000 -13.460 0.000) 13.460 4.622 ( 0.000 13.465 0.000) 13.465 4.776 ( 0.000 -8.948 0.000) 8.948 4.913 ( 0.000 -3.695 0.000) 3.695 5.112 ( 0.000 -8.600 0.000) 8.600 5.186 ( 0.000 5.672 0.000) 5.672 5.232 ( 0.000 -7.847 0.000) 7.847 5.313 ( 0.000 -12.567 0.000) 12.567 5.517 ( 0.000 -4.030 0.000) 4.030 5.561 ( 0.000 -2.770 0.000) 2.770 5.707 ( 0.000 5.818 0.000) 5.818 5.731 ( 0.000 -3.291 0.000) 3.291 5.784 ( 0.000 2.853 0.000) 2.853 5.929 ( 0.000 -0.086 0.000) 0.086 6.073 ( 0.000 -5.324 0.000) 5.324 6.281 ( 0.000 0.414 0.000) 0.414 6.366 ( 0.000 -0.795 0.000) 0.795 6.424 ( 0.000 2.867 0.000) 2.867 6.464 ( 0.000 4.581 0.000) 4.581 6.582 ( 0.000 3.744 0.000) 3.744 6.712 ( 0.000 -2.640 0.000) 2.640 6.716 ( 0.000 10.396 0.000) 10.396 6.931 ( 0.000 -4.043 0.000) 4.043 6.971 ( 0.000 1.079 0.000) 1.079 7.070 ( 0.000 6.158 0.000) 6.158 7.153 ( 0.000 -2.886 0.000) 2.886 7.673 ( 0.000 -4.352 0.000) 4.352 7.757 ( 0.000 -5.371 0.000) 5.371 7.818 ( 0.000 -5.270 0.000) 5.270 7.829 ( 0.000 4.313 0.000) 4.313 8.041 ( 0.000 2.265 0.000) 2.265 8.246 ( 0.000 7.493 0.000) 7.493 8.333 ( 0.000 8.690 0.000) 8.690 8.698 ( 0.000 1.261 0.000) 1.261 8.957 ( 0.000 -17.403 0.000) 17.403 9.132 ( 0.000 -15.701 0.000) 15.701 9.594 ( 0.000 4.499 0.000) 4.499 9.683 ( 0.000 10.614 0.000) 10.614 9.803 ( 0.000 15.308 0.000) 15.308 9.851 ( 0.000 3.445 0.000) 3.445 10.400 ( 0.000 5.060 0.000) 5.060 10.796 ( 0.000 -6.363 0.000) 6.363 10.827 ( 0.000 0.375 0.000) 0.375 10.980 ( 0.000 -7.036 0.000) 7.036 11.385 ( 0.000 0.847 0.000) 0.847 11.584 ( 0.000 8.012 0.000) 8.012 11.694 ( 0.000 15.131 0.000) 15.131 11.837 ( 0.000 5.941 0.000) 5.941 12.911 ( 0.000 -7.068 0.000) 7.068 12.984 ( 0.000 -2.309 0.000) 2.309 13.141 ( 0.000 -2.366 0.000) 2.366 13.236 ( 0.000 -0.471 0.000) 0.471 13.727 ( 0.000 -8.141 0.000) 8.141 13.754 ( 0.000 -7.325 0.000) 7.325 13.929 ( 0.000 3.107 0.000) 3.107 14.298 ( 0.000 -14.587 0.000) 14.587 14.461 ( 0.000 -13.815 0.000) 13.815 14.662 ( 0.000 -18.260 0.000) 18.260 15.430 ( 0.000 -14.005 0.000) 14.005 15.476 ( 0.000 -14.794 0.000) 14.794 15.857 ( 0.000 16.958 0.000) 16.958 16.448 ( 0.000 19.601 0.000) 19.601 17.704 ( 0.000 19.573 0.000) 19.573 18.074 ( 0.000 14.328 0.000) 14.328 20.082 ( 0.000 -22.044 0.000) 22.044 20.164 ( 0.000 -23.022 0.000) 23.022 22.088 ( 0.000 -1.891 0.000) 1.891 22.126 ( 0.000 -1.684 0.000) 1.684 22.155 ( 0.000 5.052 0.000) 5.052 22.242 ( 0.000 4.808 0.000) 4.808 22.547 ( 0.000 16.117 0.000) 16.117 22.736 ( 0.000 17.729 0.000) 17.729 28.376 ( 0.000 1.754 0.000) 1.754 28.419 ( 0.000 -0.719 0.000) 0.719 28.512 ( 0.000 7.072 0.000) 7.072 28.616 ( 0.000 2.407 0.000) 2.407 28.698 ( 0.000 -1.141 0.000) 1.141 28.828 ( 0.000 10.624 0.000) 10.624 29.074 ( 0.000 16.882 0.000) 16.882 29.845 ( 0.000 2.782 0.000) 2.782 29.862 ( 0.000 2.699 0.000) 2.699 30.052 ( 0.000 5.159 0.000) 5.159 30.332 ( 0.000 -1.063 0.000) 1.063 30.769 ( 0.000 -0.057 0.000) 0.057 30.944 ( 0.000 1.347 0.000) 1.347 31.161 ( 0.000 -3.187 0.000) 3.187 31.343 ( 0.000 -0.791 0.000) 0.791 31.661 ( 0.000 -2.101 0.000) 2.101 31.763 ( 0.000 -5.376 0.000) 5.376 32.052 ( 0.000 -2.925 0.000) 2.925 32.075 ( 0.000 -3.150 0.000) 3.150 33.753 ( 0.000 -18.116 0.000) 18.116 ======================= Grid point 8 (6/84) ======================= q-point: ( 0.17 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 19.730 24.047 2.033) 31.172 1.190 ( 32.503 22.084 4.756) 39.583 1.769 ( 47.290 34.302 4.153) 58.568 2.099 ( 18.288 11.206 -1.351) 21.491 2.566 ( 17.218 26.295 2.499) 31.530 2.611 ( -15.791 -1.720 0.366) 15.889 2.855 ( -15.343 10.925 -2.020) 18.943 3.177 ( -3.918 8.416 -1.494) 9.403 3.358 ( 2.309 -3.870 2.843) 5.328 3.440 ( 12.033 -7.076 -4.256) 14.594 3.586 ( -6.727 2.774 1.356) 7.401 3.721 ( 4.553 -1.641 0.228) 4.845 3.825 ( -1.008 5.397 -2.822) 6.173 4.048 ( 6.503 15.946 -1.303) 17.271 4.238 ( 3.845 9.393 -1.527) 10.263 4.377 ( 9.224 9.795 -3.120) 13.812 4.535 ( -5.540 -5.930 3.616) 8.884 4.601 ( 2.714 11.324 -4.817) 12.601 4.841 ( 2.282 -7.923 3.611) 9.001 4.940 ( 0.852 -1.105 3.291) 3.575 4.973 ( -9.772 -4.635 -2.974) 11.217 5.189 ( -0.664 6.749 6.415) 9.335 5.286 ( -0.996 -11.776 -3.180) 12.238 5.359 ( 5.261 -9.672 -0.661) 11.030 5.477 ( -6.548 7.954 3.984) 11.046 5.512 ( 0.677 -5.453 -2.449) 6.016 5.618 ( -4.220 1.555 1.246) 4.667 5.638 ( -5.569 -1.389 -3.990) 6.990 5.796 ( -0.703 1.217 0.233) 1.424 5.969 ( -1.253 -3.828 -5.140) 6.530 6.034 ( -3.759 -0.163 -4.287) 5.704 6.217 ( 4.013 0.912 1.357) 4.333 6.289 ( -1.694 1.364 -2.299) 3.165 6.367 ( -1.537 1.392 0.504) 2.134 6.478 ( -13.639 -2.663 -1.585) 13.986 6.534 ( -5.038 -1.195 0.352) 5.190 6.654 ( 4.067 5.570 -4.342) 8.149 6.740 ( 0.005 10.578 4.718) 11.583 6.845 ( -5.975 -0.017 3.959) 7.168 6.878 ( -3.570 2.348 2.105) 4.763 7.114 ( -5.093 -3.094 1.641) 6.181 7.176 ( 3.556 1.329 -1.177) 3.975 7.365 ( -17.827 -6.737 1.096) 19.089 7.449 ( -17.924 1.762 3.223) 18.297 7.851 ( -0.040 9.811 2.064) 10.026 7.928 ( 0.859 1.189 -0.161) 1.476 8.172 ( 4.117 -2.479 3.426) 5.902 8.192 ( -3.824 9.681 -3.039) 10.843 8.298 ( 0.795 6.747 -0.979) 6.864 8.670 ( -2.895 -0.242 1.351) 3.203 9.128 ( 1.884 -5.621 -4.643) 7.530 9.290 ( 10.563 -13.915 -0.034) 17.470 9.421 ( 5.260 2.519 -1.273) 5.969 9.599 ( -6.887 1.225 6.187) 9.339 9.927 ( 9.522 4.450 1.266) 10.587 10.040 ( 7.691 8.332 -0.648) 11.358 10.454 ( -0.493 -0.115 0.403) 0.647 10.732 ( -7.603 0.579 1.419) 7.756 10.777 ( -3.214 -3.224 -1.333) 4.744 10.953 ( -3.952 -4.899 0.377) 6.306 11.461 ( 6.640 0.504 4.070) 7.804 11.619 ( 2.442 7.458 -4.832) 9.216 11.717 ( 4.089 13.382 -0.858) 14.019 11.786 ( 7.340 10.912 -0.842) 13.177 12.715 ( -12.915 -3.325 0.848) 13.363 13.019 ( -10.216 -2.078 -0.401) 10.433 13.231 ( 1.746 -6.040 -0.542) 6.311 13.327 ( 12.446 -14.358 -0.438) 19.006 13.686 ( 1.458 -8.541 1.089) 8.733 13.760 ( 0.047 -6.519 -1.145) 6.619 14.093 ( 10.382 -7.344 -0.755) 12.739 14.317 ( 1.875 -8.557 0.434) 8.771 14.443 ( 5.591 -12.849 0.381) 14.018 14.834 ( 6.389 -16.531 -2.395) 17.884 15.369 ( -5.963 -12.978 0.974) 14.316 15.416 ( -5.595 -14.544 -0.042) 15.583 15.954 ( 9.229 16.295 -0.330) 18.730 16.379 ( 1.149 28.321 -5.194) 28.816 17.567 ( -13.030 17.958 1.764) 22.257 17.694 ( -22.063 22.073 -4.714) 31.563 20.226 ( 13.291 -19.658 -1.032) 23.752 20.355 ( 14.421 -19.206 2.243) 24.122 21.926 ( -13.717 0.413 -0.906) 13.753 22.026 ( -9.940 -2.286 0.715) 10.224 22.227 ( 3.720 4.585 -0.030) 5.905 22.267 ( 4.670 0.260 -1.886) 5.043 22.557 ( 0.370 15.178 -0.005) 15.182 22.740 ( -0.324 16.849 0.433) 16.858 28.491 ( 4.474 -2.306 0.213) 5.038 28.509 ( 6.322 -0.388 -0.961) 6.407 28.558 ( 3.138 4.463 0.947) 5.537 28.664 ( 6.107 0.328 -0.666) 6.152 28.765 ( 4.839 -5.186 -0.406) 7.105 28.906 ( 7.414 9.463 0.428) 12.029 29.132 ( 6.582 19.163 0.723) 20.275 29.728 ( -9.638 3.874 -1.452) 10.489 29.752 ( -9.159 3.754 4.501) 10.874 30.029 ( -1.692 5.087 -3.480) 6.391 30.315 ( -2.223 -0.110 1.388) 2.623 30.843 ( 7.585 0.328 -6.406) 9.933 30.997 ( 4.300 0.725 -0.311) 4.372 31.070 ( -1.875 4.394 -22.722) 23.219 31.206 ( -1.453 4.763 -6.650) 8.308 31.625 ( -2.670 -2.061 -1.177) 3.573 31.748 ( 6.089 -0.370 -36.773) 37.275 31.858 ( 8.586 -6.047 -0.605) 10.519 32.543 ( -6.165 -14.821 67.968) 69.838 33.603 ( -13.896 -16.705 -0.167) 21.730 ======================= Grid point 9 (7/84) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 22.816 16.770 -2.081) 28.392 1.856 ( 27.973 24.762 0.794) 37.367 2.299 ( -12.469 9.475 1.574) 15.740 2.347 ( -20.985 10.914 1.018) 23.676 2.534 ( 11.483 13.851 -0.112) 17.992 2.729 ( 33.069 13.807 0.353) 35.837 2.940 ( 19.199 13.942 -1.583) 23.780 3.008 ( -8.726 5.367 -4.089) 11.030 3.393 ( 3.160 11.064 6.594) 13.262 3.465 ( 2.876 -8.168 0.260) 8.663 3.826 ( 8.784 -5.180 0.555) 10.213 3.844 ( 13.421 0.797 -5.627) 14.575 3.969 ( 6.750 2.167 2.674) 7.577 4.119 ( 4.230 8.013 2.372) 9.366 4.252 ( -7.857 -7.202 -2.428) 10.931 4.471 ( 3.259 -8.326 -2.441) 9.268 4.524 ( 5.952 -0.318 1.544) 6.157 4.628 ( -7.313 3.064 -0.259) 7.933 4.741 ( -0.040 2.511 -2.829) 3.783 4.917 ( 6.739 0.627 0.959) 6.836 5.031 ( 2.676 -0.480 5.799) 6.404 5.168 ( -2.862 -0.824 2.690) 4.013 5.280 ( -1.081 -6.339 1.395) 6.580 5.321 ( -0.623 -3.779 -1.460) 4.099 5.376 ( -9.712 6.087 -0.879) 11.495 5.496 ( -0.340 12.586 -1.032) 12.633 5.565 ( 2.284 -3.703 -3.091) 5.337 5.630 ( 3.638 -6.498 -0.064) 7.447 5.761 ( -0.669 -0.016 0.751) 1.006 5.882 ( -2.346 3.126 -4.837) 6.218 5.961 ( -6.347 -3.413 -0.666) 7.237 6.118 ( -16.577 -2.003 2.145) 16.835 6.193 ( -10.440 -5.247 -5.802) 13.046 6.267 ( -1.804 -2.822 -4.219) 5.387 6.402 ( -7.971 -3.107 3.434) 9.219 6.413 ( -8.639 -2.863 1.520) 9.227 6.544 ( -9.784 3.904 0.689) 10.557 6.585 ( -3.473 3.521 2.689) 5.629 6.692 ( -1.625 4.053 -2.780) 5.176 6.889 ( -8.198 4.791 -4.736) 10.611 7.041 ( 6.065 3.007 6.328) 9.267 7.174 ( -1.968 -0.766 1.877) 2.826 7.205 ( 0.544 -1.443 -1.054) 1.868 7.336 ( 1.996 5.978 3.510) 7.214 7.869 ( 0.389 9.560 1.774) 9.731 7.911 ( -0.120 6.261 -2.406) 6.708 8.149 ( 1.857 8.019 1.173) 8.314 8.227 ( 1.204 4.951 0.266) 5.102 8.313 ( -0.473 8.137 0.691) 8.180 8.605 ( -3.732 -0.744 0.546) 3.844 8.897 ( -10.493 7.545 -5.149) 13.912 9.317 ( -10.594 1.562 3.873) 11.388 9.714 ( 14.367 -8.886 0.572) 16.903 9.762 ( 18.558 -7.357 0.255) 19.964 10.090 ( 6.739 0.589 1.459) 6.921 10.185 ( 4.696 3.149 1.123) 5.765 10.363 ( -5.135 -3.057 -0.351) 5.986 10.586 ( -6.215 1.755 0.136) 6.460 10.642 ( -8.895 2.569 -0.370) 9.266 10.806 ( -9.664 -2.266 -0.477) 9.938 11.642 ( 8.997 -0.881 0.625) 9.061 11.709 ( 7.664 2.760 -0.481) 8.160 11.895 ( 9.910 6.941 -1.404) 12.180 11.955 ( 4.498 6.111 0.008) 7.588 12.487 ( -7.980 1.733 1.184) 8.251 12.841 ( -4.521 1.248 0.101) 4.691 13.161 ( -6.226 -9.750 0.534) 11.581 13.378 ( -5.038 -15.737 -2.944) 16.784 13.812 ( 7.088 -8.923 -1.066) 11.445 13.831 ( 7.073 -9.224 0.808) 11.652 14.248 ( 4.748 -15.421 -0.577) 16.146 14.375 ( 1.835 -15.554 0.493) 15.670 14.634 ( 11.456 1.232 0.320) 11.526 14.890 ( 2.790 -7.017 -1.806) 7.764 15.211 ( -9.336 -12.633 0.742) 15.725 15.260 ( -9.092 -14.968 -0.140) 17.513 16.212 ( 15.448 16.437 -0.759) 22.569 16.514 ( 12.502 23.014 -3.417) 26.413 17.211 ( -20.315 14.840 -0.807) 25.171 17.284 ( -17.173 17.254 0.414) 24.347 20.558 ( 17.730 -15.608 -0.254) 23.623 20.700 ( 16.845 -13.627 0.858) 21.684 21.602 ( -16.437 -5.979 -1.046) 17.522 21.766 ( -14.410 -4.430 2.035) 15.213 22.288 ( 2.450 8.035 0.419) 8.411 22.361 ( 4.579 6.352 -2.370) 8.181 22.548 ( -1.443 13.470 0.822) 13.572 22.724 ( -1.230 14.610 0.256) 14.664 28.529 ( 0.668 -1.282 0.202) 1.460 28.579 ( 0.854 0.069 -0.343) 0.923 28.650 ( 4.687 2.084 1.336) 5.301 28.779 ( 3.061 -4.187 -0.326) 5.197 28.864 ( 5.582 -1.799 -0.287) 5.872 29.091 ( 10.177 8.580 -2.253) 13.500 29.365 ( 10.313 15.210 1.793) 18.464 29.511 ( -9.762 4.005 -2.229) 10.784 29.588 ( -5.944 5.705 7.537) 11.167 29.943 ( -4.871 6.043 -4.429) 8.936 30.271 ( -2.009 1.049 0.663) 2.361 30.923 ( 5.184 4.827 -19.497) 20.744 31.045 ( 5.087 -1.731 0.353) 5.385 31.082 ( 2.182 0.938 4.176) 4.804 31.175 ( -0.223 2.761 -2.486) 3.722 31.557 ( -2.805 -2.535 -1.804) 4.189 31.733 ( 3.282 -3.457 -11.987) 12.900 32.077 ( 12.179 -7.411 -0.652) 14.272 32.638 ( -5.872 -9.240 27.460) 29.562 33.246 ( -18.475 -13.426 -0.422) 22.842 ======================= Grid point 10 (8/84) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.000 13.118 0.000) 13.118 1.914 ( 0.000 13.303 0.000) 13.303 2.185 ( 0.000 14.658 0.000) 14.658 2.315 ( 0.000 23.546 0.000) 23.546 2.445 ( -0.000 23.842 0.000) 23.842 2.856 ( 0.000 3.610 -0.000) 3.610 3.102 ( 0.000 14.243 -0.000) 14.243 3.204 ( -0.000 22.333 -0.000) 22.333 3.582 ( 0.000 -2.934 0.000) 2.934 3.701 ( 0.000 -20.331 0.000) 20.331 3.809 ( -0.000 -4.869 -0.000) 4.869 3.981 ( 0.001 -2.466 -0.001) 2.466 3.981 ( -0.001 12.334 0.001) 12.334 4.042 ( -0.000 -4.317 0.000) 4.317 4.155 ( -0.000 -9.671 0.000) 9.671 4.450 ( -0.000 -10.836 -0.000) 10.836 4.557 ( 0.000 -2.630 0.000) 2.630 4.689 ( 0.000 -1.820 -0.000) 1.820 4.842 ( -0.000 -4.937 -0.000) 4.937 5.031 ( -0.000 1.752 0.000) 1.752 5.074 ( 0.000 -4.369 0.000) 4.369 5.094 ( -0.000 0.306 -0.000) 0.306 5.280 ( 0.000 -7.412 0.000) 7.412 5.297 ( 0.000 6.878 -0.000) 6.878 5.392 ( 0.000 8.583 -0.000) 8.583 5.519 ( -0.000 0.998 -0.000) 0.998 5.577 ( 0.000 10.225 0.000) 10.225 5.606 ( 0.000 -1.207 -0.000) 1.207 5.714 ( -0.000 1.046 -0.000) 1.046 5.797 ( -0.000 -1.758 0.000) 1.758 5.839 ( -0.000 1.927 0.000) 1.927 5.888 ( -0.000 4.847 -0.000) 4.847 5.993 ( 0.000 -7.569 -0.000) 7.569 6.231 ( 0.000 -6.740 0.000) 6.740 6.297 ( -0.000 -1.431 -0.000) 1.431 6.302 ( -0.000 -2.026 -0.000) 2.026 6.458 ( 0.000 -0.711 -0.000) 0.711 6.567 ( -0.000 6.985 -0.000) 6.985 6.738 ( 0.000 1.199 0.000) 1.199 6.771 ( 0.000 3.772 -0.000) 3.772 7.103 ( 0.000 4.110 0.000) 4.110 7.199 ( -0.000 0.672 0.000) 0.672 7.209 ( 0.000 -0.134 -0.000) 0.134 7.391 ( 0.000 5.088 -0.000) 5.088 7.861 ( 0.000 11.004 -0.000) 11.004 7.919 ( 0.000 3.928 0.000) 3.928 8.215 ( -0.000 8.561 -0.000) 8.561 8.232 ( 0.000 8.962 0.000) 8.962 8.305 ( 0.000 9.888 -0.000) 9.888 8.559 ( 0.000 -1.062 -0.000) 1.062 8.771 ( -0.000 7.380 0.000) 7.380 9.173 ( -0.000 4.763 -0.000) 4.763 9.892 ( 0.000 -7.842 0.000) 7.842 10.028 ( 0.000 -1.279 -0.000) 1.279 10.145 ( 0.000 -9.330 -0.000) 9.330 10.213 ( 0.000 -10.659 0.000) 10.659 10.397 ( 0.000 0.917 -0.000) 0.917 10.420 ( -0.000 5.554 0.000) 5.554 10.560 ( 0.000 10.565 0.000) 10.565 10.652 ( 0.000 -3.465 0.000) 3.465 11.766 ( 0.000 -3.577 -0.000) 3.577 11.867 ( 0.000 0.846 -0.000) 0.846 11.903 ( -0.000 1.160 0.000) 1.160 11.997 ( 0.000 5.890 -0.000) 5.890 12.426 ( 0.000 7.279 0.000) 7.279 12.830 ( 0.000 5.711 -0.000) 5.711 13.076 ( 0.000 -12.741 0.000) 12.741 13.279 ( 0.000 -16.834 -0.000) 16.834 13.895 ( 0.000 -8.943 -0.000) 8.943 13.922 ( -0.000 -11.173 0.000) 11.173 14.288 ( 0.000 -15.765 0.000) 15.765 14.388 ( -0.000 -15.708 0.000) 15.708 14.807 ( 0.000 7.346 -0.000) 7.346 14.960 ( 0.000 3.398 0.000) 3.398 15.061 ( -0.000 -20.316 0.000) 20.316 15.118 ( -0.000 -19.436 -0.000) 19.436 16.451 ( 0.000 17.689 0.000) 17.689 16.722 ( 0.000 19.777 -0.000) 19.777 16.905 ( -0.000 11.096 -0.000) 11.096 17.039 ( -0.000 17.112 0.000) 17.112 20.808 ( 0.000 -12.525 0.000) 12.525 20.925 ( 0.000 -10.997 0.000) 10.997 21.364 ( -0.000 -9.736 -0.000) 9.736 21.576 ( -0.000 -6.777 0.000) 6.777 22.318 ( 0.000 10.113 -0.000) 10.113 22.409 ( 0.000 11.017 0.000) 11.017 22.527 ( 0.000 11.417 -0.000) 11.417 22.708 ( 0.000 13.094 0.000) 13.094 28.535 ( 0.000 -0.665 -0.000) 0.665 28.586 ( 0.000 0.890 0.000) 0.890 28.702 ( 0.000 -2.173 -0.000) 2.173 28.804 ( 0.000 -4.410 0.000) 4.410 28.947 ( 0.000 1.989 -0.000) 1.989 29.289 ( -0.000 7.700 0.000) 7.700 29.299 ( 0.000 9.247 -0.000) 9.247 29.377 ( -0.000 4.171 0.000) 4.171 29.728 ( 0.000 4.800 0.000) 4.800 29.799 ( -0.000 11.322 -0.000) 11.322 30.251 ( 0.000 1.180 -0.000) 1.180 30.921 ( 0.000 3.051 0.000) 3.051 31.105 ( 0.000 -0.468 -0.000) 0.468 31.145 ( 0.000 1.987 0.000) 1.987 31.153 ( -0.000 0.939 -0.000) 0.939 31.517 ( 0.000 -3.273 0.000) 3.273 31.738 ( -0.000 -4.097 0.000) 4.097 32.247 ( -0.000 -8.267 0.000) 8.267 32.639 ( 0.000 -8.241 0.000) 8.241 33.003 ( -0.000 -10.862 -0.000) 10.862 ======================= Grid point 14 (9/84) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.000 31.789 0.000) 31.789 1.665 ( 0.000 38.131 0.000) 38.131 2.093 ( 0.000 41.443 0.000) 41.443 2.546 ( 0.000 32.508 0.000) 32.508 2.605 ( 0.000 -7.048 0.000) 7.048 2.636 ( 0.000 14.522 0.000) 14.522 3.193 ( 0.000 0.049 0.000) 0.049 3.295 ( 0.000 13.506 0.000) 13.506 3.379 ( 0.000 11.055 0.000) 11.055 3.612 ( 0.000 15.392 0.000) 15.392 3.726 ( 0.000 2.215 0.000) 2.215 3.957 ( 0.000 11.370 0.000) 11.370 4.094 ( 0.000 10.640 0.000) 10.640 4.127 ( 0.000 9.109 0.000) 9.109 4.162 ( 0.000 -7.062 0.000) 7.062 4.429 ( 0.000 -4.329 0.000) 4.329 4.628 ( 0.000 -1.770 0.000) 1.770 4.641 ( 0.000 -2.573 0.000) 2.573 4.807 ( 0.000 12.582 0.000) 12.582 4.930 ( 0.000 -14.691 0.000) 14.691 4.972 ( 0.000 -0.380 0.000) 0.380 4.973 ( 0.000 -1.083 0.000) 1.083 5.166 ( 0.000 -0.648 0.000) 0.648 5.284 ( 0.000 2.574 0.000) 2.574 5.375 ( 0.000 -8.836 0.000) 8.836 5.447 ( 0.000 -8.095 0.000) 8.095 5.611 ( 0.000 -7.457 0.000) 7.457 5.736 ( 0.000 0.832 0.000) 0.832 5.886 ( 0.000 7.068 0.000) 7.068 5.929 ( 0.000 -0.544 0.000) 0.544 6.105 ( 0.000 3.785 0.000) 3.785 6.266 ( 0.000 -1.938 0.000) 1.938 6.327 ( 0.000 -3.144 0.000) 3.144 6.494 ( 0.000 3.874 0.000) 3.874 6.533 ( 0.000 0.693 0.000) 0.693 6.629 ( 0.000 -4.771 0.000) 4.771 6.674 ( 0.000 7.664 0.000) 7.664 6.870 ( 0.000 -2.423 0.000) 2.423 6.899 ( 0.000 6.051 0.000) 6.051 7.080 ( 0.000 9.253 0.000) 9.253 7.080 ( 0.000 -3.062 0.000) 3.062 7.316 ( 0.000 17.865 0.000) 17.865 7.480 ( 0.000 -13.993 0.000) 13.993 7.651 ( 0.000 4.194 0.000) 4.194 7.765 ( 0.000 -3.998 0.000) 3.998 7.953 ( 0.000 7.083 0.000) 7.083 8.207 ( 0.000 10.569 0.000) 10.569 8.398 ( 0.000 7.079 0.000) 7.079 8.552 ( 0.000 11.684 0.000) 11.684 8.567 ( 0.000 -18.637 0.000) 18.637 8.742 ( 0.000 -18.716 0.000) 18.716 8.754 ( 0.000 4.507 0.000) 4.507 9.712 ( 0.000 6.931 0.000) 6.931 9.914 ( 0.000 2.961 0.000) 2.961 9.974 ( 0.000 16.182 0.000) 16.182 10.175 ( 0.000 19.599 0.000) 19.599 10.540 ( 0.000 7.937 0.000) 7.937 10.681 ( 0.000 -4.341 0.000) 4.341 10.830 ( 0.000 -6.381 0.000) 6.381 10.847 ( 0.000 1.977 0.000) 1.977 11.413 ( 0.000 1.365 0.000) 1.365 11.646 ( 0.000 -1.402 0.000) 1.402 12.047 ( 0.000 17.482 0.000) 17.482 12.089 ( 0.000 16.604 0.000) 16.604 12.772 ( 0.000 -5.428 0.000) 5.428 12.906 ( 0.000 -5.604 0.000) 5.604 13.050 ( 0.000 -7.457 0.000) 7.457 13.212 ( 0.000 -1.904 0.000) 1.904 13.465 ( 0.000 -17.329 0.000) 17.329 13.517 ( 0.000 -15.864 0.000) 15.864 13.886 ( 0.000 -6.892 0.000) 6.892 13.896 ( 0.000 -23.006 0.000) 23.006 14.074 ( 0.000 -22.447 0.000) 22.447 14.255 ( 0.000 -19.851 0.000) 19.851 15.050 ( 0.000 -21.530 0.000) 21.530 15.079 ( 0.000 -22.305 0.000) 22.305 16.352 ( 0.000 29.719 0.000) 29.719 16.931 ( 0.000 25.548 0.000) 25.548 18.250 ( 0.000 32.239 0.000) 32.239 18.494 ( 0.000 25.931 0.000) 25.931 19.581 ( 0.000 -24.908 0.000) 24.908 19.646 ( 0.000 -25.287 0.000) 25.287 21.953 ( 0.000 -11.131 0.000) 11.131 21.986 ( 0.000 -11.552 0.000) 11.552 22.307 ( 0.000 9.614 0.000) 9.614 22.390 ( 0.000 9.429 0.000) 9.429 22.923 ( 0.000 17.201 0.000) 17.201 23.117 ( 0.000 16.377 0.000) 16.377 28.383 ( 0.000 -0.356 0.000) 0.356 28.403 ( 0.000 -0.691 0.000) 0.691 28.623 ( 0.000 -1.331 0.000) 1.331 28.666 ( 0.000 -1.985 0.000) 1.985 28.757 ( 0.000 15.322 0.000) 15.322 29.125 ( 0.000 17.358 0.000) 17.358 29.521 ( 0.000 23.109 0.000) 23.109 29.924 ( 0.000 5.041 0.000) 5.041 29.962 ( 0.000 7.040 0.000) 7.040 30.184 ( 0.000 7.018 0.000) 7.018 30.292 ( 0.000 -2.612 0.000) 2.612 30.783 ( 0.000 1.751 0.000) 1.751 30.975 ( 0.000 0.082 0.000) 0.082 31.091 ( 0.000 -1.758 0.000) 1.758 31.324 ( 0.000 -0.965 0.000) 0.965 31.601 ( 0.000 -3.477 0.000) 3.477 31.613 ( 0.000 -8.799 0.000) 8.799 31.969 ( 0.000 -4.936 0.000) 4.936 31.982 ( 0.000 -5.750 0.000) 5.750 33.270 ( 0.000 -27.094 0.000) 27.094 ======================= Grid point 15 (10/84) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 16.600 27.632 3.655) 32.442 1.617 ( 11.140 21.779 4.047) 24.796 2.329 ( 0.928 10.579 1.930) 10.793 2.552 ( 4.231 6.461 1.770) 7.923 2.637 ( 25.270 32.487 -2.044) 41.209 3.075 ( 7.715 22.351 0.190) 23.645 3.143 ( -8.696 16.965 -3.415) 19.368 3.265 ( 5.412 1.145 -1.170) 5.655 3.401 ( 7.684 4.646 -4.081) 9.863 3.482 ( -5.793 7.086 0.427) 9.162 3.678 ( -4.788 1.467 -2.248) 5.489 3.853 ( -3.255 17.266 1.973) 17.681 3.980 ( -0.934 8.538 4.246) 9.581 4.212 ( 4.502 2.206 -8.334) 9.726 4.229 ( -2.671 -7.396 3.045) 8.433 4.387 ( -1.108 -0.937 0.764) 1.640 4.667 ( 3.956 4.083 -2.967) 6.413 4.693 ( 0.915 -5.048 4.163) 6.606 4.815 ( -4.385 2.108 0.433) 4.885 4.944 ( 4.871 -0.436 -2.061) 5.307 4.985 ( 0.706 0.969 3.856) 4.038 5.102 ( 4.210 3.000 -1.336) 5.339 5.184 ( -2.233 -1.061 0.225) 2.483 5.297 ( -0.502 -0.647 5.461) 5.522 5.339 ( 3.406 -4.170 -1.109) 5.497 5.388 ( -5.504 -9.860 4.191) 12.045 5.555 ( -3.614 -6.000 -2.366) 7.393 5.731 ( -1.587 -0.015 -0.197) 1.599 5.846 ( -0.880 5.588 -0.524) 5.681 5.881 ( -1.213 -2.486 -4.911) 5.636 6.044 ( -2.492 -0.139 -8.279) 8.648 6.232 ( -2.332 -0.363 -2.018) 3.105 6.347 ( -10.489 -1.358 -4.573) 11.523 6.362 ( -4.184 -0.740 1.007) 4.366 6.423 ( -1.430 -0.827 -1.220) 2.053 6.551 ( -7.691 5.558 4.614) 10.551 6.676 ( -6.239 -3.246 0.880) 7.088 6.854 ( 0.706 1.128 -1.483) 1.993 6.932 ( -4.486 2.296 4.027) 6.451 6.977 ( -3.964 9.192 0.330) 10.015 7.070 ( -0.930 2.017 0.040) 2.222 7.202 ( -6.803 0.396 1.367) 6.950 7.341 ( -6.985 7.610 1.389) 10.423 7.505 ( -7.124 4.927 4.521) 9.771 8.034 ( 11.861 10.237 0.898) 15.694 8.068 ( 2.653 7.772 2.911) 8.713 8.202 ( 4.323 7.126 -1.023) 8.397 8.340 ( -3.241 3.272 -2.948) 5.469 8.469 ( 2.002 8.296 -0.651) 8.559 8.650 ( -2.001 -3.139 0.952) 3.842 8.900 ( 18.132 -11.330 -0.939) 21.401 8.998 ( 14.455 -11.059 0.369) 18.203 9.591 ( -7.880 11.573 -3.140) 14.349 9.715 ( -9.196 7.559 1.661) 12.019 10.067 ( 3.058 9.319 1.056) 9.865 10.252 ( 3.363 12.135 0.238) 12.595 10.463 ( -5.209 1.206 -1.014) 5.442 10.691 ( -3.176 -1.581 -0.334) 3.564 10.777 ( -1.264 0.093 -1.017) 1.626 10.890 ( -0.142 0.777 1.645) 1.825 11.474 ( 4.561 -0.120 2.999) 5.460 11.702 ( 5.651 0.468 -4.133) 7.017 12.020 ( -3.249 13.782 -0.602) 14.172 12.039 ( -0.544 12.618 1.130) 12.680 12.632 ( -9.078 -3.681 0.955) 9.842 12.918 ( -4.124 -6.722 -0.115) 7.887 13.095 ( -1.329 -7.444 1.273) 7.668 13.165 ( 0.836 -4.540 -2.222) 5.123 13.440 ( 0.767 -14.369 0.849) 14.414 13.552 ( 2.067 -13.374 -0.365) 13.538 13.759 ( 0.627 -22.447 -0.673) 22.466 13.955 ( -3.832 -23.073 -0.281) 23.390 14.212 ( 14.945 -13.191 1.238) 19.972 14.431 ( 8.913 -21.635 -1.022) 23.422 15.024 ( -2.602 -19.017 0.918) 19.216 15.042 ( -3.189 -20.149 -0.604) 20.408 16.438 ( 8.339 28.969 -0.446) 30.149 16.948 ( 2.557 27.072 -1.103) 27.215 18.047 ( -17.786 26.475 1.416) 31.926 18.164 ( -23.612 23.046 -2.467) 33.087 19.818 ( 19.804 -17.520 -1.547) 26.487 19.935 ( 22.218 -18.410 1.620) 28.900 21.902 ( -8.822 -8.579 1.326) 12.377 21.911 ( -10.098 -6.626 -2.803) 12.398 22.275 ( 3.426 5.012 -1.027) 6.157 22.377 ( 0.669 7.996 0.889) 8.073 22.905 ( -2.394 15.789 1.654) 16.055 23.090 ( -2.710 14.672 -0.482) 14.928 28.437 ( 3.598 -2.100 0.573) 4.205 28.461 ( 4.910 -2.288 -0.680) 5.460 28.630 ( 0.173 -1.573 0.861) 1.801 28.679 ( 1.240 -2.995 -0.377) 3.263 28.814 ( 5.817 14.213 -0.865) 15.382 29.186 ( 5.739 16.491 -0.398) 17.466 29.582 ( 5.317 21.845 2.097) 22.580 29.821 ( -8.266 5.417 -1.681) 10.024 29.872 ( -8.004 7.850 3.303) 11.688 30.183 ( -0.317 9.384 -2.205) 9.644 30.294 ( -0.590 -1.731 1.392) 2.298 30.848 ( 6.000 0.568 0.398) 6.040 30.986 ( 1.802 -3.066 -7.781) 8.556 31.080 ( -1.200 1.122 4.695) 4.974 31.302 ( 0.429 2.752 -9.029) 9.449 31.568 ( -2.276 -3.138 -1.993) 4.358 31.676 ( 4.861 -9.183 -5.021) 11.540 31.734 ( 1.370 -3.066 -22.144) 22.397 32.278 ( 1.594 -11.235 38.483) 40.121 33.154 ( -10.426 -25.320 -1.287) 27.413 ======================= Grid point 16 (11/84) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 17.644 25.029 0.608) 30.629 2.205 ( 35.038 4.450 2.514) 35.409 2.518 ( 3.717 8.500 0.628) 9.298 2.611 ( -0.307 6.262 -0.317) 6.278 2.700 ( 0.873 11.477 -3.462) 12.020 3.025 ( -1.063 7.629 -2.196) 8.009 3.162 ( -6.654 12.162 2.400) 14.069 3.226 ( 2.998 15.396 -3.627) 16.098 3.418 ( 3.288 10.070 -3.351) 11.111 3.556 ( -0.303 -5.982 0.799) 6.043 3.800 ( 8.428 4.838 3.682) 10.392 3.990 ( 2.269 -5.153 2.505) 6.162 4.081 ( 3.155 2.017 0.828) 3.835 4.102 ( 0.983 10.843 3.270) 11.368 4.203 ( -2.013 -2.264 0.298) 3.044 4.392 ( -1.686 7.339 -0.492) 7.546 4.528 ( -6.742 -3.926 -0.180) 7.804 4.725 ( -0.535 15.129 -6.342) 16.413 4.737 ( -2.265 -7.059 0.411) 7.424 4.864 ( -14.043 -12.968 3.826) 19.494 4.969 ( -1.500 -2.540 2.565) 3.909 5.083 ( 9.656 1.334 -1.801) 9.913 5.252 ( 5.151 1.928 -1.227) 5.636 5.376 ( 7.264 7.993 3.424) 11.330 5.418 ( -2.693 -2.933 -0.639) 4.033 5.478 ( 3.848 -2.931 -2.630) 5.506 5.501 ( 7.526 -2.109 0.095) 7.817 5.696 ( 0.352 -2.155 1.037) 2.417 5.833 ( -3.407 3.946 0.461) 5.234 5.869 ( 0.131 3.449 -0.242) 3.460 5.955 ( -4.389 0.658 -5.447) 7.026 6.069 ( -10.968 -1.224 3.464) 11.567 6.096 ( -9.552 -2.441 -5.299) 11.192 6.246 ( -8.815 0.225 -3.951) 9.662 6.320 ( -7.711 -3.539 1.900) 8.694 6.403 ( -4.162 2.649 0.215) 4.938 6.592 ( -8.672 2.204 -4.780) 10.145 6.697 ( -0.165 6.327 4.933) 8.024 6.817 ( -6.304 7.110 0.176) 9.504 6.989 ( -8.149 5.529 -4.488) 10.822 7.079 ( 2.949 0.288 2.670) 3.989 7.182 ( 0.197 2.128 1.191) 2.446 7.223 ( 3.991 4.572 4.146) 7.350 7.498 ( 1.155 9.403 2.587) 9.820 8.051 ( -2.018 7.811 1.031) 8.133 8.147 ( 1.355 14.636 -0.841) 14.723 8.354 ( 6.005 6.813 -1.543) 9.212 8.372 ( 7.670 13.424 2.347) 15.638 8.497 ( -0.207 7.438 0.421) 7.452 8.627 ( -1.474 4.296 -0.012) 4.542 9.041 ( -3.097 3.069 -4.828) 6.505 9.308 ( 8.054 -5.174 2.927) 10.010 9.565 ( 5.296 -0.939 1.227) 5.516 9.669 ( 10.953 0.336 -0.612) 10.975 10.071 ( -3.873 -0.626 -0.276) 3.933 10.242 ( -7.244 4.188 0.120) 8.369 10.378 ( 0.507 2.904 1.027) 3.122 10.575 ( -5.462 0.472 -1.127) 5.597 10.723 ( -4.552 2.337 -0.330) 5.128 10.841 ( -4.543 6.689 0.879) 8.134 11.595 ( 5.551 -4.166 0.554) 6.963 11.762 ( 2.840 0.816 -2.998) 4.209 12.006 ( -3.487 -0.716 2.370) 4.277 12.058 ( 3.836 5.279 -0.948) 6.594 12.549 ( 2.033 3.860 1.770) 4.708 12.804 ( -2.971 -4.812 -1.275) 5.797 12.983 ( -7.918 -7.026 3.018) 11.008 13.122 ( -6.115 -7.158 -3.398) 10.009 13.542 ( 6.234 -14.366 0.638) 15.673 13.617 ( 4.830 -12.493 -0.905) 13.425 13.819 ( 3.443 -25.361 -0.309) 25.595 13.944 ( 1.121 -25.107 0.264) 25.133 14.468 ( 8.818 -19.365 1.332) 21.320 14.537 ( 3.392 -23.221 -1.451) 23.512 14.951 ( -4.805 -12.327 -1.228) 13.288 14.968 ( -3.271 -11.789 1.261) 12.300 16.674 ( 14.375 26.796 -0.592) 30.414 17.049 ( 8.051 26.975 -1.379) 28.185 17.606 ( -22.952 21.516 -0.605) 31.465 17.722 ( -18.267 23.186 0.546) 29.522 20.269 ( 22.650 -10.555 -0.447) 24.993 20.417 ( 22.409 -11.472 0.291) 25.176 21.537 ( -20.320 -1.163 -2.439) 20.499 21.646 ( -16.324 -7.053 2.267) 17.926 22.421 ( 7.144 2.771 -0.568) 7.683 22.469 ( 8.028 5.828 -0.707) 9.945 22.836 ( -5.257 12.381 2.408) 13.665 23.008 ( -4.413 11.074 -0.818) 11.949 28.498 ( 1.853 -1.781 0.544) 2.627 28.548 ( 3.428 -2.809 -1.096) 4.565 28.632 ( -0.508 -2.683 1.037) 2.921 28.704 ( 1.052 -4.380 -0.277) 4.513 28.962 ( 7.740 10.912 -0.047) 13.378 29.334 ( 8.787 14.331 -2.023) 16.932 29.623 ( -8.081 8.067 -2.225) 11.633 29.681 ( -5.954 12.504 1.422) 13.922 29.771 ( 3.301 11.826 6.597) 13.938 30.144 ( -1.930 13.193 -2.582) 13.581 30.280 ( -1.252 -0.311 1.069) 1.675 30.949 ( 0.140 -3.050 -9.681) 10.151 31.005 ( 7.701 -0.698 1.301) 7.841 31.116 ( 0.807 1.851 8.217) 8.461 31.267 ( 0.896 4.531 -9.599) 10.653 31.493 ( -3.759 -2.755 -2.594) 5.334 31.641 ( 1.266 -5.200 -9.427) 10.840 31.877 ( 10.122 -11.260 0.433) 15.147 32.415 ( -2.066 -11.579 18.904) 22.264 32.880 ( -13.688 -20.889 -1.313) 25.009 ======================= Grid point 17 (12/84) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -0.000 22.199 0.000) 22.199 2.278 ( 0.000 20.332 0.000) 20.332 2.556 ( 0.000 19.915 -0.000) 19.915 2.723 ( 0.000 9.888 0.000) 9.888 2.954 ( 0.000 4.424 0.000) 4.424 3.020 ( 0.000 26.552 -0.000) 26.552 3.200 ( 0.001 -7.688 -0.000) 7.688 3.258 ( -0.000 -12.365 -0.000) 12.365 3.276 ( -0.000 -15.291 0.000) 15.291 3.599 ( 0.000 5.223 -0.000) 5.223 3.678 ( -0.000 -19.859 0.000) 19.859 3.901 ( -0.000 5.620 -0.000) 5.620 4.022 ( -0.000 -1.802 -0.000) 1.802 4.208 ( 0.000 -8.189 0.000) 8.189 4.261 ( 0.000 8.776 0.000) 8.776 4.385 ( 0.000 27.681 -0.000) 27.681 4.586 ( 0.000 -4.808 0.000) 4.808 4.635 ( -0.000 6.923 0.000) 6.923 4.671 ( -0.000 -1.613 -0.000) 1.613 4.836 ( 0.000 -13.955 0.000) 13.955 5.014 ( 0.000 -9.171 -0.000) 9.171 5.239 ( 0.000 4.782 0.000) 4.782 5.259 ( -0.000 10.829 0.000) 10.829 5.326 ( 0.000 -2.089 -0.000) 2.089 5.489 ( 0.000 -1.916 -0.000) 1.916 5.556 ( 0.000 0.875 0.000) 0.875 5.626 ( 0.000 7.133 -0.000) 7.133 5.656 ( -0.000 -5.013 0.000) 5.013 5.765 ( -0.000 3.253 -0.000) 3.253 5.772 ( 0.000 1.030 0.000) 1.030 5.945 ( -0.000 5.646 0.000) 5.646 5.958 ( 0.000 2.513 -0.000) 2.513 6.034 ( 0.000 13.124 0.000) 13.124 6.093 ( -0.000 -3.081 -0.000) 3.081 6.261 ( 0.000 -1.919 -0.000) 1.919 6.320 ( 0.000 4.888 0.000) 4.888 6.418 ( 0.000 -3.688 -0.000) 3.688 6.693 ( 0.000 3.851 0.000) 3.851 6.795 ( 0.000 4.940 0.000) 4.940 6.863 ( 0.000 6.531 -0.000) 6.531 7.117 ( 0.000 -1.234 0.000) 1.234 7.236 ( -0.000 3.070 0.000) 3.070 7.282 ( 0.000 6.078 -0.000) 6.078 7.526 ( 0.000 7.733 -0.000) 7.733 8.031 ( 0.000 6.778 -0.000) 6.778 8.149 ( -0.000 14.680 0.000) 14.680 8.432 ( -0.000 11.076 -0.000) 11.076 8.479 ( 0.000 3.990 0.000) 3.990 8.505 ( 0.000 16.568 0.000) 16.568 8.595 ( 0.000 7.471 -0.000) 7.471 8.962 ( -0.000 9.493 0.000) 9.493 9.304 ( -0.000 7.018 -0.000) 7.018 9.756 ( 0.000 -3.083 -0.000) 3.083 9.929 ( 0.000 -10.072 -0.000) 10.072 9.962 ( 0.000 -11.291 0.000) 11.291 10.057 ( -0.000 4.138 0.000) 4.138 10.387 ( 0.000 -1.457 0.000) 1.457 10.550 ( 0.000 6.398 -0.000) 6.398 10.631 ( -0.000 2.290 0.000) 2.290 10.780 ( 0.000 10.567 -0.000) 10.567 11.660 ( 0.000 -7.133 -0.000) 7.133 11.839 ( 0.000 -4.416 -0.000) 4.416 11.895 ( -0.000 -2.994 0.000) 2.994 12.117 ( 0.000 4.485 -0.000) 4.485 12.617 ( 0.000 9.717 -0.000) 9.717 12.804 ( 0.000 -12.056 0.000) 12.056 12.937 ( 0.000 -13.948 0.000) 13.948 12.948 ( -0.000 4.970 -0.000) 4.970 13.620 ( -0.000 -15.083 0.000) 15.083 13.678 ( -0.000 -13.334 -0.000) 13.334 13.854 ( -0.000 -25.837 0.000) 25.837 13.959 ( -0.000 -25.326 -0.000) 25.326 14.533 ( 0.000 -28.570 -0.000) 28.570 14.616 ( 0.000 -26.998 0.000) 26.998 14.873 ( -0.000 -1.781 -0.000) 1.781 14.932 ( -0.000 -5.957 0.000) 5.957 16.911 ( 0.000 25.248 0.000) 25.248 17.210 ( -0.000 25.417 -0.000) 25.417 17.253 ( 0.000 21.431 -0.000) 21.431 17.478 ( -0.000 23.351 0.000) 23.351 20.579 ( 0.000 -8.076 0.000) 8.076 20.717 ( 0.000 -7.519 -0.000) 7.519 21.234 ( -0.000 -2.742 -0.000) 2.742 21.419 ( -0.000 -7.694 0.000) 7.694 22.502 ( 0.000 6.294 0.000) 6.294 22.594 ( 0.000 6.535 -0.000) 6.535 22.755 ( -0.000 9.154 0.000) 9.154 22.947 ( 0.000 8.415 0.000) 8.415 28.518 ( 0.000 -1.192 -0.000) 1.192 28.582 ( 0.000 -1.299 -0.000) 1.299 28.626 ( 0.000 -4.470 0.000) 4.470 28.714 ( 0.000 -4.840 -0.000) 4.840 29.062 ( -0.000 9.026 -0.000) 9.026 29.500 ( -0.000 10.101 0.000) 10.101 29.505 ( 0.000 10.792 -0.000) 10.792 29.532 ( 0.000 13.013 -0.000) 13.013 29.863 ( 0.000 7.797 0.000) 7.797 30.107 ( -0.000 17.156 -0.000) 17.156 30.267 ( 0.000 0.118 -0.000) 0.118 30.923 ( -0.000 -2.761 0.000) 2.761 31.098 ( 0.000 -0.215 -0.000) 0.215 31.175 ( 0.000 1.051 0.000) 1.051 31.239 ( -0.000 5.242 -0.000) 5.242 31.429 ( 0.000 -4.234 0.000) 4.234 31.634 ( -0.000 -5.332 -0.000) 5.332 32.023 ( -0.000 -12.683 0.000) 12.683 32.420 ( -0.000 -12.361 0.000) 12.361 32.706 ( -0.000 -16.853 0.000) 16.853 ======================= Grid point 21 (13/84) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 0.000 31.653 0.000) 31.653 2.346 ( 0.000 23.223 0.000) 23.223 2.615 ( 0.000 12.633 0.000) 12.633 2.741 ( 0.000 21.790 0.000) 21.790 2.928 ( 0.000 13.288 0.000) 13.288 3.202 ( 0.000 26.291 0.000) 26.291 3.245 ( 0.000 5.775 0.000) 5.775 3.456 ( 0.000 2.834 0.000) 2.834 3.611 ( 0.000 4.895 0.000) 4.895 3.794 ( 0.000 5.243 0.000) 5.243 3.836 ( 0.000 8.899 0.000) 8.899 4.118 ( 0.000 4.956 0.000) 4.956 4.125 ( 0.000 -1.825 0.000) 1.825 4.150 ( 0.000 -1.543 0.000) 1.543 4.261 ( 0.000 5.700 0.000) 5.700 4.460 ( 0.000 -2.654 0.000) 2.654 4.565 ( 0.000 -3.677 0.000) 3.677 4.591 ( 0.000 7.421 0.000) 7.421 4.646 ( 0.000 -7.269 0.000) 7.269 4.892 ( 0.000 1.655 0.000) 1.655 5.017 ( 0.000 -0.570 0.000) 0.570 5.052 ( 0.000 2.151 0.000) 2.151 5.069 ( 0.000 -7.648 0.000) 7.648 5.176 ( 0.000 -8.511 0.000) 8.511 5.327 ( 0.000 1.530 0.000) 1.530 5.361 ( 0.000 1.659 0.000) 1.659 5.468 ( 0.000 -5.021 0.000) 5.021 5.857 ( 0.000 9.732 0.000) 9.732 5.896 ( 0.000 -2.303 0.000) 2.303 5.978 ( 0.000 -10.697 0.000) 10.697 6.055 ( 0.000 1.354 0.000) 1.354 6.237 ( 0.000 -0.749 0.000) 0.749 6.244 ( 0.000 -4.364 0.000) 4.364 6.496 ( 0.000 -2.384 0.000) 2.384 6.525 ( 0.000 0.365 0.000) 0.365 6.539 ( 0.000 -4.748 0.000) 4.748 6.765 ( 0.000 -7.888 0.000) 7.888 6.892 ( 0.000 -1.396 0.000) 1.396 7.058 ( 0.000 20.821 0.000) 20.821 7.059 ( 0.000 0.149 0.000) 0.149 7.257 ( 0.000 -6.593 0.000) 6.593 7.342 ( 0.000 15.348 0.000) 15.348 7.689 ( 0.000 7.870 0.000) 7.870 7.698 ( 0.000 -2.211 0.000) 2.211 7.760 ( 0.000 4.017 0.000) 4.017 7.950 ( 0.000 -7.779 0.000) 7.779 8.366 ( 0.000 4.058 0.000) 4.058 8.430 ( 0.000 10.792 0.000) 10.792 8.533 ( 0.000 5.932 0.000) 5.932 8.565 ( 0.000 6.753 0.000) 6.753 8.783 ( 0.000 9.919 0.000) 9.919 8.882 ( 0.000 7.416 0.000) 7.416 9.906 ( 0.000 13.221 0.000) 13.221 10.009 ( 0.000 7.685 0.000) 7.685 10.297 ( 0.000 14.280 0.000) 14.280 10.562 ( 0.000 16.550 0.000) 16.550 10.634 ( 0.000 0.183 0.000) 0.183 10.696 ( 0.000 6.633 0.000) 6.633 10.751 ( 0.000 -0.672 0.000) 0.672 10.936 ( 0.000 7.337 0.000) 7.337 11.397 ( 0.000 -4.386 0.000) 4.386 11.589 ( 0.000 -2.334 0.000) 2.334 12.359 ( 0.000 11.090 0.000) 11.090 12.418 ( 0.000 13.590 0.000) 13.590 12.686 ( 0.000 -20.566 0.000) 20.566 12.725 ( 0.000 1.953 0.000) 1.953 12.738 ( 0.000 -24.102 0.000) 24.102 13.063 ( 0.000 -19.572 0.000) 19.572 13.158 ( 0.000 -15.704 0.000) 15.704 13.164 ( 0.000 -2.453 0.000) 2.453 13.423 ( 0.000 -21.369 0.000) 21.369 13.612 ( 0.000 -20.411 0.000) 20.411 13.719 ( 0.000 -7.097 0.000) 7.097 13.895 ( 0.000 -13.887 0.000) 13.887 14.599 ( 0.000 -21.418 0.000) 21.418 14.617 ( 0.000 -21.575 0.000) 21.575 17.000 ( 0.000 31.737 0.000) 31.737 17.451 ( 0.000 24.345 0.000) 24.345 18.979 ( 0.000 37.560 0.000) 37.560 19.087 ( 0.000 -23.016 0.000) 23.016 19.110 ( 0.000 33.129 0.000) 33.129 19.161 ( 0.000 -21.805 0.000) 21.805 21.634 ( 0.000 -19.833 0.000) 19.833 21.655 ( 0.000 -20.494 0.000) 20.494 22.545 ( 0.000 13.243 0.000) 13.243 22.619 ( 0.000 12.548 0.000) 12.548 23.185 ( 0.000 7.626 0.000) 7.626 23.346 ( 0.000 5.326 0.000) 5.326 28.380 ( 0.000 0.360 0.000) 0.360 28.396 ( 0.000 0.114 0.000) 0.114 28.577 ( 0.000 -2.893 0.000) 2.893 28.611 ( 0.000 -3.360 0.000) 3.360 29.097 ( 0.000 16.872 0.000) 16.872 29.501 ( 0.000 18.127 0.000) 18.127 29.878 ( 0.000 8.285 0.000) 8.285 30.058 ( 0.000 7.984 0.000) 7.984 30.146 ( 0.000 10.676 0.000) 10.676 30.234 ( 0.000 -1.697 0.000) 1.697 30.347 ( 0.000 8.714 0.000) 8.714 30.816 ( 0.000 -2.217 0.000) 2.217 30.936 ( 0.000 1.355 0.000) 1.355 31.137 ( 0.000 4.265 0.000) 4.265 31.309 ( 0.000 -0.380 0.000) 0.380 31.420 ( 0.000 -9.377 0.000) 9.377 31.534 ( 0.000 -2.353 0.000) 2.353 31.850 ( 0.000 -6.720 0.000) 6.720 31.857 ( 0.000 -5.839 0.000) 5.839 32.701 ( 0.000 -27.001 0.000) 27.001 ======================= Grid point 22 (14/84) ======================= q-point: ( 0.17 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 3.552 23.600 0.234) 23.867 2.146 ( -1.793 27.448 2.817) 27.650 2.530 ( -7.127 8.027 5.772) 12.188 2.646 ( -5.301 11.774 -2.141) 13.089 3.120 ( 8.958 8.223 -1.497) 12.252 3.283 ( 1.772 -1.378 -0.117) 2.248 3.414 ( 1.858 7.693 5.953) 9.904 3.500 ( 2.614 13.225 -5.003) 14.380 3.567 ( 1.898 10.015 2.057) 10.399 3.690 ( -6.732 9.191 -3.490) 11.915 3.752 ( 0.562 9.022 -12.148) 15.142 3.980 ( -6.213 -0.844 -1.008) 6.351 4.103 ( 0.094 2.892 8.236) 8.729 4.219 ( -3.249 7.447 4.520) 9.297 4.250 ( -2.381 -0.806 -4.517) 5.169 4.382 ( -0.372 -0.079 -4.798) 4.813 4.491 ( -1.196 -11.861 4.369) 12.696 4.642 ( 1.332 -1.985 -0.869) 2.544 4.802 ( 9.569 -2.582 2.326) 10.180 4.942 ( -2.860 2.367 1.505) 4.006 5.028 ( -3.011 1.385 1.122) 3.499 5.068 ( 2.020 -4.582 3.099) 5.888 5.168 ( -2.128 -9.177 0.447) 9.431 5.202 ( 6.211 -1.405 6.667) 9.220 5.287 ( 2.782 1.145 -5.465) 6.238 5.423 ( -1.672 -0.149 -0.501) 1.752 5.500 ( 10.894 7.943 0.756) 13.504 5.768 ( -6.552 1.533 -2.840) 7.304 5.854 ( -1.271 0.423 -3.738) 3.970 5.931 ( -3.079 0.223 -5.162) 6.014 6.001 ( 0.780 -1.216 -0.455) 1.515 6.187 ( -3.763 -3.690 -0.334) 5.281 6.272 ( -11.072 -2.919 -2.855) 11.801 6.333 ( -1.088 -1.626 2.510) 3.182 6.385 ( -0.869 -2.430 -1.489) 2.980 6.505 ( -12.901 -6.052 -1.297) 14.309 6.740 ( -0.466 -1.464 1.027) 1.848 6.941 ( 1.377 3.704 1.443) 4.207 6.997 ( 1.608 13.164 1.278) 13.323 7.070 ( -1.766 2.784 0.343) 3.314 7.213 ( 0.830 6.458 1.596) 6.703 7.361 ( -6.709 16.254 1.318) 17.634 7.501 ( -10.678 6.131 0.513) 12.324 7.706 ( 0.313 14.145 2.197) 14.318 8.089 ( 16.821 -9.661 0.809) 19.415 8.200 ( 17.872 -12.742 -1.333) 21.990 8.344 ( -2.060 4.255 0.678) 4.776 8.375 ( 5.011 12.945 -1.868) 14.006 8.582 ( 1.656 10.592 1.673) 10.850 8.633 ( 5.503 6.875 1.104) 8.875 8.866 ( 7.286 5.675 -1.211) 9.314 8.947 ( 5.666 4.441 0.428) 7.211 9.854 ( -4.357 14.198 -2.020) 14.988 9.881 ( -9.307 10.356 -0.172) 13.925 10.300 ( -1.872 12.406 0.382) 12.552 10.500 ( -5.573 4.591 0.798) 7.265 10.537 ( -3.905 12.644 -0.443) 13.241 10.695 ( -1.520 2.449 -0.708) 2.968 10.800 ( 1.650 2.774 -1.593) 3.599 10.979 ( 2.560 6.932 1.296) 7.502 11.417 ( 1.979 -5.853 -0.763) 6.225 11.677 ( 6.394 -2.215 0.642) 6.797 12.165 ( -14.819 -0.952 1.093) 14.890 12.233 ( -13.924 2.782 -0.463) 14.207 12.602 ( -3.580 0.050 1.041) 3.728 12.752 ( -0.399 -11.206 -0.835) 11.244 12.825 ( 2.453 -20.328 1.642) 20.541 13.042 ( -2.638 -10.082 -1.920) 10.596 13.178 ( 4.562 -8.146 0.329) 9.342 13.226 ( 4.392 -16.890 0.511) 17.460 13.337 ( -2.641 -14.141 0.553) 14.396 13.495 ( -6.409 -19.009 -1.670) 20.130 13.893 ( 9.659 -14.842 0.221) 17.709 14.009 ( 6.201 -16.861 0.043) 17.965 14.637 ( 2.611 -18.391 0.589) 18.585 14.639 ( 3.250 -18.206 -0.628) 18.504 17.065 ( 6.254 30.409 -0.463) 31.049 17.479 ( 2.853 24.201 0.054) 24.368 18.499 ( -25.897 11.852 0.412) 28.484 18.573 ( -23.735 13.156 -0.392) 27.140 19.621 ( 28.156 2.381 -0.834) 28.269 19.722 ( 29.065 1.419 0.600) 29.106 21.620 ( -3.424 -18.186 1.101) 18.538 21.660 ( -0.863 -17.644 -1.894) 17.766 22.471 ( -4.798 12.657 -0.531) 13.546 22.574 ( -2.519 11.124 0.306) 11.410 23.140 ( -4.902 6.434 1.782) 8.282 23.289 ( -5.190 4.215 -0.996) 6.760 28.408 ( 2.246 -0.654 0.474) 2.386 28.427 ( 2.818 -0.993 -0.475) 3.025 28.577 ( -0.272 -3.179 0.605) 3.247 28.611 ( 0.117 -3.686 -0.567) 3.731 29.138 ( 3.802 16.205 -0.180) 16.646 29.542 ( 4.238 17.142 -1.587) 17.729 29.890 ( -0.863 5.028 1.860) 5.430 29.986 ( -3.774 11.672 -0.728) 12.289 30.065 ( -6.500 10.147 2.261) 12.261 30.262 ( 1.125 -0.162 0.513) 1.247 30.402 ( 3.230 11.134 0.579) 11.608 30.828 ( 1.829 -4.913 -1.304) 5.402 30.941 ( 1.544 2.119 -2.929) 3.931 31.126 ( -1.303 2.544 3.622) 4.614 31.320 ( 0.648 -1.102 -4.048) 4.246 31.464 ( 3.825 -10.278 -0.574) 10.982 31.525 ( 0.679 -0.045 -2.373) 2.469 31.669 ( -2.608 -3.179 -14.901) 15.458 32.066 ( 3.407 -9.612 21.504) 23.799 32.620 ( -7.000 -25.501 -2.156) 26.532 ======================= Grid point 23 (15/84) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 20.565 -2.170 -0.964) 20.701 2.316 ( 12.007 19.927 1.238) 23.298 2.539 ( 8.236 2.463 2.513) 8.956 2.683 ( 5.949 2.998 -2.265) 7.036 3.085 ( -9.257 1.539 6.358) 11.335 3.110 ( -13.044 18.397 -8.623) 24.144 3.310 ( -3.962 -0.511 5.624) 6.898 3.413 ( -10.251 3.102 -6.634) 12.599 3.554 ( -7.965 5.348 1.960) 9.792 3.654 ( -7.941 4.463 -3.726) 9.842 3.698 ( -7.022 -9.128 3.357) 11.996 3.909 ( 3.977 1.072 -2.547) 4.843 4.090 ( -6.021 -0.417 0.596) 6.065 4.147 ( -3.381 0.906 -2.549) 4.330 4.278 ( 2.987 0.929 7.204) 7.854 4.435 ( -0.674 -8.335 -1.100) 8.435 4.498 ( 8.472 7.653 4.419) 12.242 4.623 ( -4.648 -9.321 -0.988) 10.462 4.808 ( 2.540 5.882 -2.245) 6.789 4.862 ( -6.512 -6.542 -0.493) 9.244 4.940 ( 0.297 6.281 1.044) 6.374 5.163 ( 5.132 2.595 0.222) 5.755 5.250 ( -0.103 -4.045 -5.312) 6.677 5.317 ( 7.214 -4.230 7.972) 11.553 5.388 ( 7.535 -2.510 -2.432) 8.306 5.485 ( 7.892 0.309 1.277) 8.001 5.601 ( -0.944 6.164 -4.121) 7.475 5.687 ( 0.348 5.423 2.924) 6.171 5.841 ( -1.939 0.993 -1.142) 2.459 5.927 ( -5.074 -3.298 -1.587) 6.256 6.015 ( -2.920 -1.293 -0.743) 3.278 6.031 ( 3.722 5.813 0.273) 6.908 6.127 ( -1.609 5.874 -0.911) 6.158 6.244 ( -6.450 -2.664 1.957) 7.248 6.353 ( 3.800 7.371 -3.741) 9.097 6.489 ( 2.663 5.255 3.689) 6.951 6.634 ( -10.031 2.321 -9.528) 14.028 6.889 ( -3.830 10.263 1.146) 11.015 6.957 ( -8.248 6.364 4.063) 11.182 7.089 ( 3.538 5.023 -2.575) 6.662 7.175 ( -8.523 8.062 -6.213) 13.275 7.299 ( 0.197 13.014 6.651) 14.616 7.367 ( 3.089 9.017 4.538) 10.557 7.711 ( -1.157 11.155 2.042) 11.399 8.170 ( 0.059 0.943 -0.184) 0.963 8.302 ( -1.852 1.540 -0.443) 2.449 8.525 ( 8.810 -4.159 1.594) 9.872 8.622 ( 4.756 17.357 -0.100) 17.997 8.668 ( 10.287 5.283 -0.015) 11.564 8.763 ( 5.392 12.562 1.472) 13.750 9.005 ( 6.012 -2.497 -4.212) 7.754 9.156 ( 15.086 -5.213 2.040) 16.091 9.717 ( -3.774 12.988 0.866) 13.553 9.793 ( 1.330 11.554 -1.403) 11.714 10.171 ( -11.154 11.113 -1.900) 15.860 10.367 ( -7.713 6.065 -1.172) 9.882 10.465 ( -5.733 7.879 2.432) 10.043 10.634 ( -1.101 4.847 0.146) 4.973 10.790 ( -2.103 4.467 -1.104) 5.059 11.006 ( -1.117 8.324 1.622) 8.554 11.460 ( 2.121 -8.615 -1.729) 9.039 11.707 ( -3.269 -6.348 -1.814) 7.367 11.888 ( -10.701 -9.078 1.138) 14.079 12.092 ( 1.395 -2.825 1.422) 3.456 12.583 ( 0.897 -1.562 2.641) 3.197 12.694 ( -2.697 -7.328 -2.047) 8.073 12.813 ( -3.696 -13.548 2.584) 14.279 13.000 ( -1.487 -9.483 -2.088) 9.823 13.259 ( 1.769 -17.758 -0.899) 17.869 13.310 ( 3.873 -16.689 1.203) 17.174 13.354 ( 2.243 -11.248 -1.289) 11.541 13.410 ( -1.069 -22.477 0.120) 22.503 14.007 ( 1.696 -18.923 -0.939) 19.022 14.099 ( 3.116 -16.076 0.891) 16.400 14.699 ( 3.087 -13.502 -0.201) 13.852 14.720 ( 3.543 -12.120 0.069) 12.627 17.241 ( 10.922 26.907 -0.610) 29.046 17.573 ( 6.390 23.225 -0.090) 24.088 18.010 ( -21.281 15.719 -0.070) 26.457 18.148 ( -17.544 16.225 0.326) 23.899 20.178 ( 25.329 2.514 -0.337) 25.456 20.296 ( 25.930 0.879 0.155) 25.946 21.461 ( -12.853 -11.354 2.073) 17.275 21.484 ( -14.884 -6.092 -2.832) 16.330 22.475 ( 5.809 4.528 -0.608) 7.390 22.590 ( 4.423 6.030 0.250) 7.483 23.006 ( -8.801 3.772 2.430) 9.879 23.141 ( -7.781 1.746 -1.410) 8.098 28.460 ( 2.121 -1.693 0.554) 2.770 28.488 ( 3.123 -2.618 -0.894) 4.172 28.567 ( -1.184 -3.484 1.029) 3.821 28.609 ( 0.018 -4.576 -0.681) 4.626 29.232 ( 4.729 14.155 0.088) 14.925 29.642 ( 6.132 14.528 -2.984) 16.049 29.796 ( -5.781 8.009 -0.699) 9.903 29.939 ( -6.705 12.800 2.833) 14.724 29.995 ( 1.645 8.931 2.578) 9.440 30.272 ( -0.249 0.718 0.422) 0.869 30.441 ( 0.453 13.392 0.255) 13.402 30.852 ( 0.906 -5.048 -3.642) 6.290 31.006 ( 5.574 0.365 0.747) 5.636 31.145 ( 1.107 0.793 5.177) 5.353 31.269 ( -2.406 -3.989 -5.567) 7.259 31.470 ( -2.374 -3.897 -6.712) 8.117 31.561 ( 2.458 1.438 -1.829) 3.384 31.660 ( 6.138 -8.228 -0.246) 10.268 32.176 ( -1.439 -11.764 10.235) 15.660 32.438 ( -7.871 -20.831 -1.048) 22.293 ======================= Grid point 24 (16/84) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -0.003 -1.512 -0.001) 1.512 2.557 ( 0.004 15.016 0.001) 15.016 2.661 ( 0.000 -14.207 -0.000) 14.207 2.878 ( 0.000 -1.951 -0.000) 1.951 2.902 ( -0.000 1.961 0.000) 1.961 2.972 ( 0.000 -4.214 -0.000) 4.214 3.074 ( -0.000 6.497 0.000) 6.497 3.190 ( -0.000 -12.749 -0.000) 12.749 3.338 ( -0.000 12.651 -0.000) 12.651 3.525 ( -0.000 13.929 -0.000) 13.929 3.726 ( 0.000 6.331 0.000) 6.331 3.930 ( 0.000 -3.207 0.000) 3.207 3.996 ( -0.000 -0.863 0.000) 0.863 4.096 ( -0.000 -2.719 -0.000) 2.719 4.346 ( 0.000 -1.483 -0.000) 1.483 4.449 ( 0.000 -5.939 -0.000) 5.939 4.606 ( 0.000 -9.509 -0.000) 9.509 4.607 ( -0.000 3.386 0.000) 3.386 4.790 ( 0.000 -2.059 0.000) 2.059 4.842 ( -0.000 5.944 -0.000) 5.944 4.933 ( 0.000 5.681 -0.000) 5.681 5.201 ( 0.000 -7.448 -0.000) 7.448 5.244 ( 0.000 -0.438 0.000) 0.438 5.372 ( -0.000 -5.278 -0.000) 5.278 5.547 ( -0.000 -2.292 -0.000) 2.292 5.592 ( 0.000 8.404 0.000) 8.404 5.642 ( 0.000 0.528 -0.000) 0.528 5.662 ( 0.000 2.658 0.000) 2.658 5.780 ( 0.000 2.170 0.000) 2.170 5.903 ( 0.000 -2.745 0.000) 2.745 5.939 ( -0.000 -2.704 -0.000) 2.704 6.029 ( 0.000 11.214 -0.000) 11.214 6.222 ( 0.000 10.993 -0.000) 10.993 6.243 ( 0.000 -3.853 -0.000) 3.853 6.368 ( -0.000 16.746 0.000) 16.746 6.389 ( 0.000 12.901 -0.000) 12.901 6.555 ( 0.000 13.478 0.000) 13.478 6.706 ( -0.000 -1.959 -0.000) 1.959 6.924 ( 0.000 6.810 0.000) 6.810 7.083 ( 0.000 14.358 -0.000) 14.358 7.142 ( 0.000 5.621 -0.000) 5.621 7.338 ( 0.000 8.332 0.000) 8.332 7.424 ( 0.000 7.904 -0.000) 7.904 7.699 ( 0.000 8.683 -0.000) 8.683 8.181 ( 0.000 7.144 0.000) 7.144 8.273 ( 0.000 -2.587 0.000) 2.587 8.610 ( -0.000 4.552 -0.000) 4.552 8.662 ( 0.000 7.415 0.000) 7.415 8.724 ( 0.000 9.318 -0.000) 9.318 8.875 ( 0.000 17.198 0.000) 17.198 9.049 ( 0.000 -2.983 0.000) 2.983 9.352 ( -0.000 -4.680 -0.000) 4.680 9.849 ( 0.000 13.182 0.000) 13.182 9.854 ( -0.000 6.362 -0.000) 6.362 9.898 ( 0.000 7.194 -0.000) 7.194 10.191 ( -0.000 8.335 -0.000) 8.335 10.398 ( 0.000 4.020 0.000) 4.020 10.674 ( 0.000 5.916 0.000) 5.916 10.725 ( -0.000 6.307 -0.000) 6.307 10.984 ( 0.000 8.770 -0.000) 8.770 11.471 ( -0.000 -10.532 -0.000) 10.532 11.671 ( -0.000 -11.091 0.000) 11.091 11.778 ( 0.000 -7.792 0.000) 7.792 12.134 ( 0.000 -3.330 0.000) 3.330 12.604 ( 0.000 -8.053 -0.000) 8.053 12.695 ( -0.000 -6.857 0.000) 6.857 12.749 ( 0.000 -5.201 0.000) 5.201 12.959 ( 0.000 -7.626 -0.000) 7.626 13.277 ( -0.000 -27.941 -0.000) 27.941 13.352 ( -0.000 -9.795 0.000) 9.795 13.391 ( 0.000 -28.036 0.000) 28.036 13.396 ( -0.000 -12.131 -0.000) 12.131 14.012 ( 0.000 -18.008 -0.000) 18.008 14.137 ( 0.000 -15.736 -0.000) 15.736 14.734 ( 0.000 -11.343 0.000) 11.343 14.759 ( -0.000 -9.688 0.000) 9.688 17.426 ( 0.000 23.529 0.000) 23.529 17.701 ( -0.000 21.325 -0.000) 21.325 17.704 ( 0.000 20.224 0.000) 20.224 17.918 ( 0.000 18.045 0.000) 18.045 20.508 ( 0.000 1.332 0.000) 1.332 20.651 ( 0.000 1.378 -0.000) 1.378 21.214 ( -0.000 -1.058 -0.000) 1.058 21.266 ( -0.000 -7.046 0.000) 7.046 22.575 ( 0.000 1.978 0.000) 1.978 22.687 ( 0.000 2.918 -0.000) 2.918 22.873 ( -0.000 2.178 0.000) 2.178 23.030 ( -0.000 -0.123 -0.000) 0.123 28.486 ( 0.000 -1.798 -0.000) 1.798 28.537 ( 0.000 -3.893 -0.000) 3.893 28.538 ( -0.000 -2.765 0.000) 2.765 28.607 ( 0.000 -5.235 -0.000) 5.235 29.291 ( -0.000 12.519 0.000) 12.519 29.708 ( -0.000 9.862 0.000) 9.862 29.739 ( 0.000 11.665 -0.000) 11.665 29.852 ( 0.000 16.241 -0.000) 16.241 30.023 ( -0.000 7.012 0.000) 7.012 30.268 ( 0.000 1.118 0.000) 1.118 30.442 ( -0.000 13.595 -0.000) 13.595 30.846 ( -0.000 -3.520 0.000) 3.520 31.097 ( 0.000 0.087 0.000) 0.087 31.193 ( 0.000 0.663 0.000) 0.663 31.208 ( -0.000 -7.420 -0.000) 7.420 31.402 ( -0.000 -1.872 -0.000) 1.872 31.583 ( -0.000 2.599 0.000) 2.599 31.764 ( -0.000 -11.255 0.000) 11.255 32.141 ( -0.000 -14.851 0.000) 14.851 32.362 ( 0.000 -15.327 0.000) 15.327 ======================= Grid point 28 (17/84) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 0.000 25.873 0.000) 25.873 2.652 ( 0.000 15.545 0.000) 15.545 2.989 ( 0.000 1.376 0.000) 1.376 3.046 ( 0.000 19.778 0.000) 19.778 3.144 ( 0.000 7.923 0.000) 7.923 3.338 ( 0.000 0.882 0.000) 0.882 3.449 ( 0.000 10.125 0.000) 10.125 3.535 ( 0.000 -6.844 0.000) 6.844 3.699 ( 0.000 -13.447 0.000) 13.447 3.726 ( 0.000 6.707 0.000) 6.707 3.925 ( 0.000 4.339 0.000) 4.339 4.048 ( 0.000 -5.886 0.000) 5.886 4.231 ( 0.000 -3.233 0.000) 3.233 4.269 ( 0.000 11.548 0.000) 11.548 4.292 ( 0.000 -3.389 0.000) 3.389 4.382 ( 0.000 12.053 0.000) 12.053 4.562 ( 0.000 0.816 0.000) 0.816 4.703 ( 0.000 7.071 0.000) 7.071 4.811 ( 0.000 -5.607 0.000) 5.607 4.813 ( 0.000 8.034 0.000) 8.034 4.966 ( 0.000 -3.571 0.000) 3.571 5.004 ( 0.000 -1.796 0.000) 1.796 5.058 ( 0.000 -4.059 0.000) 4.059 5.064 ( 0.000 7.977 0.000) 7.977 5.319 ( 0.000 -2.075 0.000) 2.075 5.448 ( 0.000 -0.071 0.000) 0.071 5.453 ( 0.000 2.552 0.000) 2.552 5.651 ( 0.000 -13.455 0.000) 13.455 5.848 ( 0.000 -2.953 0.000) 2.953 5.944 ( 0.000 -9.912 0.000) 9.912 6.088 ( 0.000 9.204 0.000) 9.204 6.190 ( 0.000 0.592 0.000) 0.592 6.268 ( 0.000 3.199 0.000) 3.199 6.405 ( 0.000 -6.457 0.000) 6.457 6.465 ( 0.000 -7.227 0.000) 7.227 6.530 ( 0.000 5.509 0.000) 5.509 6.575 ( 0.000 -9.288 0.000) 9.288 6.872 ( 0.000 2.636 0.000) 2.636 7.041 ( 0.000 -2.358 0.000) 2.358 7.223 ( 0.000 2.675 0.000) 2.675 7.301 ( 0.000 -23.936 0.000) 23.936 7.389 ( 0.000 4.903 0.000) 4.903 7.545 ( 0.000 0.926 0.000) 0.926 7.664 ( 0.000 -1.628 0.000) 1.628 8.025 ( 0.000 19.375 0.000) 19.375 8.099 ( 0.000 15.254 0.000) 15.254 8.389 ( 0.000 -1.454 0.000) 1.454 8.601 ( 0.000 -0.705 0.000) 0.705 8.761 ( 0.000 15.242 0.000) 15.242 8.850 ( 0.000 13.625 0.000) 13.625 8.930 ( 0.000 4.055 0.000) 4.055 9.019 ( 0.000 4.620 0.000) 4.620 10.268 ( 0.000 17.771 0.000) 17.771 10.319 ( 0.000 26.298 0.000) 26.298 10.540 ( 0.000 9.152 0.000) 9.152 10.705 ( 0.000 7.118 0.000) 7.118 10.734 ( 0.000 1.058 0.000) 1.058 10.815 ( 0.000 6.549 0.000) 6.549 10.866 ( 0.000 7.958 0.000) 7.958 11.122 ( 0.000 8.220 0.000) 8.220 11.254 ( 0.000 -6.315 0.000) 6.315 11.562 ( 0.000 -1.270 0.000) 1.270 12.036 ( 0.000 -35.405 0.000) 35.405 12.118 ( 0.000 -35.673 0.000) 35.673 12.460 ( 0.000 0.623 0.000) 0.623 12.600 ( 0.000 3.887 0.000) 3.887 12.709 ( 0.000 -15.038 0.000) 15.038 12.849 ( 0.000 7.685 0.000) 7.685 12.863 ( 0.000 -14.078 0.000) 14.078 13.094 ( 0.000 -9.431 0.000) 9.431 13.123 ( 0.000 -1.114 0.000) 1.114 13.296 ( 0.000 -10.349 0.000) 10.349 13.678 ( 0.000 4.177 0.000) 4.177 13.742 ( 0.000 0.092 0.000) 0.092 14.193 ( 0.000 -17.791 0.000) 17.791 14.210 ( 0.000 -17.993 0.000) 17.993 17.619 ( 0.000 28.066 0.000) 28.066 17.922 ( 0.000 21.533 0.000) 21.533 18.626 ( 0.000 -22.259 0.000) 22.259 18.740 ( 0.000 -19.495 0.000) 19.495 19.758 ( 0.000 37.416 0.000) 37.416 19.822 ( 0.000 35.298 0.000) 35.298 21.139 ( 0.000 -28.099 0.000) 28.099 21.157 ( 0.000 -27.556 0.000) 27.556 22.834 ( 0.000 14.268 0.000) 14.268 22.889 ( 0.000 13.316 0.000) 13.316 23.233 ( 0.000 -2.636 0.000) 2.636 23.340 ( 0.000 -5.428 0.000) 5.428 28.402 ( 0.000 1.822 0.000) 1.822 28.411 ( 0.000 1.383 0.000) 1.383 28.512 ( 0.000 -3.221 0.000) 3.221 28.534 ( 0.000 -3.982 0.000) 3.982 29.425 ( 0.000 14.572 0.000) 14.572 29.837 ( 0.000 14.009 0.000) 14.009 29.869 ( 0.000 -6.206 0.000) 6.206 30.189 ( 0.000 -3.619 0.000) 3.619 30.244 ( 0.000 9.796 0.000) 9.796 30.384 ( 0.000 11.782 0.000) 11.782 30.519 ( 0.000 4.607 0.000) 4.607 30.693 ( 0.000 -6.488 0.000) 6.488 31.022 ( 0.000 3.104 0.000) 3.104 31.225 ( 0.000 -8.056 0.000) 8.056 31.244 ( 0.000 6.810 0.000) 6.810 31.329 ( 0.000 0.967 0.000) 0.967 31.530 ( 0.000 1.905 0.000) 1.905 31.733 ( 0.000 -6.172 0.000) 6.172 31.739 ( 0.000 -2.493 0.000) 2.493 32.192 ( 0.000 -22.002 0.000) 22.002 ======================= Grid point 29 (18/84) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -12.903 24.476 -1.953) 27.738 2.589 ( 0.987 14.576 0.399) 14.615 2.794 ( -5.991 17.145 5.645) 19.019 2.956 ( -13.666 14.898 1.543) 20.275 3.131 ( -10.726 -2.390 1.828) 11.140 3.292 ( -1.039 -0.018 -2.181) 2.415 3.432 ( 5.441 -2.691 2.420) 6.535 3.532 ( 0.948 -8.272 1.069) 8.394 3.645 ( -13.919 -6.876 -8.350) 17.628 3.662 ( -0.020 -5.634 -5.592) 7.938 3.921 ( 0.402 9.650 4.126) 10.503 4.012 ( -3.829 -2.000 2.385) 4.935 4.193 ( -3.692 1.142 1.708) 4.226 4.232 ( -5.771 2.771 1.127) 6.500 4.350 ( -2.396 1.896 -0.281) 3.068 4.368 ( -5.200 -1.977 -4.785) 7.338 4.395 ( 5.462 4.113 3.132) 7.520 4.662 ( -3.973 4.738 -1.044) 6.271 4.749 ( 1.461 -3.675 0.188) 3.959 4.846 ( -1.387 -1.049 -2.421) 2.980 4.973 ( -4.893 -1.285 -0.423) 5.076 5.072 ( 3.612 -3.532 3.533) 6.165 5.092 ( 3.960 -4.068 -4.080) 6.991 5.193 ( -1.248 -4.596 -0.094) 4.764 5.301 ( 8.033 10.400 3.475) 13.592 5.485 ( 0.480 1.386 -1.383) 2.016 5.641 ( 14.756 1.654 4.782) 15.600 5.684 ( 2.273 -2.073 -3.416) 4.596 5.808 ( 2.423 -5.782 2.331) 6.688 5.948 ( -4.016 3.361 0.701) 5.283 6.042 ( -5.481 1.555 -2.678) 6.295 6.111 ( -2.545 -1.847 -0.884) 3.266 6.268 ( -4.871 -0.795 -0.680) 4.982 6.275 ( -6.611 -6.305 -1.280) 9.225 6.341 ( 3.023 2.941 -0.157) 4.221 6.455 ( -0.787 -0.683 0.528) 1.168 6.749 ( 9.183 6.797 -4.012) 12.109 6.973 ( 5.602 1.729 -0.483) 5.883 7.106 ( 5.974 0.464 3.238) 6.811 7.245 ( 1.270 7.829 2.056) 8.193 7.325 ( -5.162 4.134 -0.997) 6.688 7.532 ( -6.899 1.134 -0.665) 7.023 7.666 ( 21.498 -16.441 0.815) 27.077 7.788 ( 18.540 -9.999 1.567) 21.123 7.965 ( -5.049 17.697 -0.098) 18.404 8.052 ( -3.923 11.700 -0.081) 12.340 8.369 ( -1.369 -2.136 -0.246) 2.549 8.540 ( -2.972 1.067 2.801) 4.221 8.851 ( 6.270 12.365 -1.393) 13.933 8.905 ( 5.742 12.355 0.332) 13.628 8.979 ( 3.255 4.369 -0.266) 5.455 9.063 ( 3.467 4.650 -0.444) 5.817 10.203 ( -7.351 21.206 -0.163) 22.445 10.233 ( -4.840 22.314 -0.836) 22.849 10.534 ( -0.995 9.554 -0.808) 9.640 10.607 ( -6.724 7.330 -0.848) 9.983 10.755 ( 1.421 5.619 2.452) 6.294 10.813 ( -4.742 8.295 0.521) 9.569 10.875 ( 2.376 3.745 0.189) 4.439 11.130 ( 1.878 4.772 -3.867) 6.423 11.289 ( 2.104 -2.461 0.581) 3.289 11.604 ( 1.343 -5.582 1.239) 5.873 11.921 ( -10.109 -23.234 -1.143) 25.364 12.018 ( -9.015 -24.523 0.318) 26.130 12.386 ( -4.997 -11.485 2.264) 12.728 12.478 ( -6.683 -9.932 0.026) 11.971 12.575 ( -7.234 -6.979 0.280) 10.056 12.819 ( -5.029 -16.884 0.477) 17.623 12.946 ( 3.524 -1.035 0.268) 3.683 13.088 ( -2.719 -3.012 -0.774) 4.131 13.144 ( 2.751 -7.398 1.117) 7.971 13.233 ( -3.557 -7.782 -2.308) 8.862 13.758 ( 6.490 3.432 -0.930) 7.400 13.841 ( 7.195 1.219 0.954) 7.360 14.276 ( 6.013 -16.548 -0.202) 17.608 14.293 ( 8.145 -15.685 0.174) 17.674 17.650 ( 3.065 26.048 -0.367) 26.230 17.936 ( 1.363 20.228 0.290) 20.276 18.468 ( -12.920 -11.704 0.210) 17.435 18.587 ( -12.077 -9.287 -0.114) 15.235 19.970 ( 17.891 27.297 -0.512) 32.641 20.041 ( 18.468 25.951 0.379) 31.854 21.164 ( 1.534 -25.758 0.678) 25.813 21.212 ( 4.514 -25.380 -0.986) 25.797 22.755 ( -6.863 14.130 -0.134) 15.710 22.823 ( -5.279 12.748 -0.052) 13.797 23.167 ( -6.555 -3.451 1.141) 7.496 23.268 ( -6.545 -5.788 -0.794) 8.773 28.413 ( 0.917 1.144 0.253) 1.488 28.422 ( 1.125 0.629 -0.226) 1.309 28.509 ( -0.430 -3.223 0.317) 3.267 28.530 ( -0.238 -3.976 -0.319) 3.996 29.453 ( 2.554 14.022 -0.020) 14.253 29.839 ( 2.032 5.485 -6.565) 8.793 29.896 ( 0.525 2.401 6.112) 6.588 30.162 ( -2.606 -0.024 0.933) 2.768 30.222 ( -1.639 9.624 -0.247) 9.766 30.382 ( -0.122 11.337 0.479) 11.348 30.559 ( 1.801 0.647 0.644) 2.019 30.708 ( 2.482 -4.296 0.169) 4.964 31.022 ( 0.092 3.519 -0.166) 3.524 31.171 ( -2.980 0.820 -1.357) 3.376 31.265 ( 0.232 -3.380 0.843) 3.492 31.301 ( -1.136 -3.203 -2.710) 4.347 31.565 ( 2.339 2.577 -1.111) 3.653 31.641 ( -0.333 2.142 -6.124) 6.497 31.879 ( 3.479 -8.423 11.238) 14.469 32.139 ( -4.045 -20.556 -2.204) 21.066 ======================= Grid point 30 (19/84) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -3.812 8.704 -2.738) 9.889 2.505 ( -9.320 6.967 3.483) 12.147 2.722 ( -0.180 4.199 -5.275) 6.744 2.767 ( -4.709 4.698 1.668) 6.858 3.008 ( -20.091 -15.822 3.157) 25.768 3.092 ( -9.638 -9.079 6.233) 14.634 3.322 ( -6.100 2.764 -1.628) 6.892 3.473 ( -5.413 0.160 -3.333) 6.359 3.551 ( 5.273 6.186 3.014) 8.669 3.721 ( 5.132 3.221 -3.642) 7.070 3.862 ( -1.699 11.139 -2.644) 11.573 3.925 ( -4.739 5.339 -0.392) 7.150 4.077 ( -6.911 -1.064 4.032) 8.071 4.175 ( -2.413 1.688 -3.789) 4.799 4.297 ( -3.686 1.510 3.723) 5.453 4.334 ( 2.500 -3.689 1.047) 4.578 4.489 ( -6.048 -0.888 -1.602) 6.319 4.581 ( 6.027 -5.436 -1.342) 8.226 4.711 ( -4.180 -6.480 -0.115) 7.712 4.809 ( -1.631 1.049 -0.024) 1.939 4.961 ( 3.083 -5.408 0.234) 6.229 5.104 ( 1.067 -5.568 -5.591) 7.963 5.170 ( 2.879 -7.517 1.325) 8.158 5.229 ( 1.831 0.208 -0.905) 2.053 5.434 ( 10.067 2.989 0.790) 10.531 5.498 ( 1.000 3.282 2.942) 4.520 5.716 ( 0.961 0.963 1.124) 1.765 5.739 ( -6.939 -0.343 3.367) 7.721 5.845 ( -3.695 2.072 3.584) 5.550 5.900 ( -1.134 1.662 -3.130) 3.721 6.005 ( -5.654 -2.331 -0.579) 6.144 6.008 ( 3.164 -1.891 4.241) 5.619 6.174 ( 0.579 0.010 -1.629) 1.729 6.363 ( 10.595 -0.241 -4.557) 11.536 6.525 ( 14.335 12.935 2.671) 19.492 6.599 ( 8.769 4.561 2.111) 10.107 6.747 ( -6.534 9.812 -11.222) 16.276 7.002 ( -7.641 2.221 -3.724) 8.785 7.125 ( -3.859 7.762 5.430) 10.228 7.216 ( -0.698 3.295 -3.327) 4.734 7.326 ( 5.319 12.816 1.534) 13.960 7.517 ( 8.144 9.003 2.948) 12.493 7.792 ( -7.115 22.786 0.464) 23.875 7.937 ( -4.464 9.250 1.854) 10.436 8.047 ( 9.470 -8.671 -0.686) 12.859 8.233 ( 13.852 -13.799 1.239) 19.591 8.354 ( 3.391 -6.030 1.082) 7.002 8.560 ( 2.325 -7.539 2.463) 8.265 8.966 ( 4.019 10.884 -0.939) 11.640 8.996 ( -0.934 2.502 -3.196) 4.165 9.055 ( 7.351 10.070 0.683) 12.487 9.151 ( 6.243 2.429 0.388) 6.710 10.085 ( -1.370 22.107 -0.052) 22.150 10.123 ( -4.591 18.382 -0.395) 18.951 10.414 ( -9.469 7.738 -3.302) 12.666 10.533 ( -2.177 12.954 -0.479) 13.144 10.640 ( -11.096 3.680 0.856) 11.721 10.797 ( 1.168 12.925 4.289) 13.668 10.893 ( -0.195 4.195 -1.074) 4.335 11.151 ( -1.200 4.388 0.488) 4.575 11.300 ( -0.051 -3.752 -2.263) 4.382 11.532 ( -5.440 -8.312 -0.604) 9.952 11.694 ( -8.984 -9.106 -0.405) 12.799 11.938 ( 1.549 -12.841 0.930) 12.968 12.326 ( -1.874 -23.084 0.457) 23.164 12.387 ( -4.056 -19.892 0.716) 20.314 12.500 ( 0.747 -12.002 2.266) 12.237 12.704 ( -5.426 -18.571 0.018) 19.347 12.962 ( -1.994 -7.800 -0.733) 8.084 13.001 ( -3.561 -3.267 -1.160) 4.970 13.177 ( 0.221 -9.796 0.131) 9.799 13.184 ( -0.628 -7.017 -0.469) 7.061 13.874 ( 4.565 5.735 -0.859) 7.380 13.986 ( 5.678 4.498 0.756) 7.283 14.405 ( 5.440 -14.788 -0.083) 15.757 14.457 ( 6.489 -13.400 0.005) 14.888 17.739 ( 5.768 20.845 -0.498) 21.634 17.987 ( 3.548 16.788 0.303) 17.162 18.191 ( -12.834 1.378 0.245) 12.911 18.337 ( -11.158 1.961 -0.069) 11.329 20.372 ( 19.454 15.467 -0.785) 24.866 20.471 ( 21.146 15.424 0.710) 26.183 21.161 ( -3.363 -17.578 1.163) 17.934 21.253 ( -1.749 -16.024 -1.637) 16.202 22.632 ( -2.885 10.079 -0.167) 10.485 22.734 ( -2.013 8.262 0.039) 8.504 22.995 ( -10.074 -4.472 1.463) 11.118 23.091 ( -9.145 -6.036 -1.004) 11.003 28.438 ( 1.209 -0.204 0.288) 1.259 28.450 ( 1.556 -0.946 -0.401) 1.865 28.497 ( -0.903 -3.016 0.553) 3.196 28.521 ( -0.513 -3.897 -0.427) 3.954 29.514 ( 2.863 12.701 0.070) 13.020 29.845 ( 0.708 0.503 -3.371) 3.481 29.938 ( 1.448 8.867 1.815) 9.166 30.118 ( -1.749 2.456 1.129) 3.219 30.184 ( -2.014 10.803 0.777) 11.016 30.388 ( 0.288 11.200 0.697) 11.225 30.561 ( -0.596 -3.389 -1.118) 3.618 30.796 ( 3.794 -1.697 2.023) 4.623 31.025 ( 0.698 2.290 -0.554) 2.457 31.130 ( -0.627 -1.881 -1.189) 2.312 31.209 ( -2.639 -0.392 0.435) 2.703 31.323 ( 1.406 -7.288 -1.636) 7.601 31.552 ( -0.184 -0.867 -2.000) 2.187 31.686 ( 3.776 6.837 -0.980) 7.872 31.914 ( -4.564 -13.729 0.705) 14.485 32.077 ( -0.189 -13.343 3.111) 13.702 ======================= Grid point 31 (20/84) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 0.001 -10.253 -0.000) 10.253 2.472 ( 0.000 -5.478 0.000) 5.478 2.505 ( -0.000 -15.090 -0.000) 15.090 2.633 ( -0.000 -11.828 0.000) 11.828 2.833 ( -0.000 0.563 -0.000) 0.563 2.983 ( -0.000 -1.303 0.000) 1.303 3.331 ( 0.000 12.739 0.000) 12.739 3.371 ( -0.000 10.621 -0.000) 10.621 3.632 ( -0.000 16.693 -0.000) 16.693 3.773 ( 0.000 8.371 -0.000) 8.371 3.844 ( -0.000 0.234 0.000) 0.234 3.863 ( 0.000 8.234 -0.000) 8.234 4.001 ( 0.000 -0.434 -0.000) 0.434 4.114 ( 0.000 3.320 -0.000) 3.320 4.267 ( 0.000 -1.935 -0.000) 1.935 4.385 ( 0.000 -9.877 -0.000) 9.877 4.435 ( 0.000 1.989 -0.000) 1.989 4.620 ( 0.000 -14.141 0.000) 14.141 4.714 ( -0.000 -9.082 -0.000) 9.082 4.727 ( 0.000 7.010 0.000) 7.010 5.039 ( 0.000 -1.636 0.000) 1.636 5.095 ( 0.000 -0.942 0.000) 0.942 5.145 ( -0.000 -14.688 -0.000) 14.688 5.272 ( 0.000 -1.108 -0.000) 1.108 5.535 ( 0.000 1.635 -0.000) 1.635 5.626 ( -0.000 0.376 0.000) 0.376 5.643 ( 0.000 0.847 0.000) 0.847 5.718 ( 0.000 0.639 0.000) 0.639 5.828 ( -0.000 -2.566 -0.000) 2.566 5.850 ( -0.000 -2.432 0.000) 2.432 5.939 ( 0.000 4.340 -0.000) 4.340 6.042 ( 0.000 -2.263 -0.000) 2.263 6.217 ( -0.000 3.823 -0.000) 3.823 6.524 ( 0.000 -0.141 0.000) 0.141 6.620 ( 0.000 8.199 0.000) 8.199 6.633 ( -0.000 6.734 -0.000) 6.734 6.750 ( 0.000 11.511 -0.000) 11.511 6.782 ( 0.000 7.403 0.000) 7.403 7.083 ( 0.000 9.116 0.000) 9.116 7.275 ( 0.000 3.234 0.000) 3.234 7.428 ( 0.000 22.005 -0.000) 22.005 7.629 ( 0.000 12.751 -0.000) 12.751 7.677 ( -0.000 18.976 0.000) 18.976 7.883 ( 0.000 11.054 -0.000) 11.054 8.175 ( -0.000 -5.206 -0.000) 5.206 8.251 ( 0.000 -3.205 0.000) 3.205 8.526 ( -0.000 -13.551 -0.000) 13.551 8.575 ( 0.000 -9.971 -0.000) 9.971 8.957 ( 0.000 -1.021 -0.000) 1.021 8.989 ( 0.000 8.676 0.000) 8.676 9.158 ( 0.000 9.349 0.000) 9.349 9.255 ( 0.000 -1.455 -0.000) 1.455 10.086 ( 0.000 12.008 0.000) 12.008 10.173 ( -0.000 15.784 -0.000) 15.784 10.227 ( 0.000 18.029 -0.000) 18.029 10.350 ( -0.000 5.724 0.000) 5.724 10.602 ( 0.000 15.985 0.000) 15.985 10.819 ( -0.000 8.033 -0.000) 8.033 10.879 ( 0.000 8.244 -0.000) 8.244 11.106 ( -0.000 3.085 -0.000) 3.085 11.301 ( 0.000 -3.752 -0.000) 3.752 11.474 ( 0.000 -4.823 0.000) 4.823 11.614 ( 0.000 -7.137 0.000) 7.137 11.969 ( 0.000 -13.244 0.000) 13.244 12.308 ( 0.000 -25.743 -0.000) 25.743 12.338 ( -0.000 -20.483 0.000) 20.483 12.574 ( 0.000 -15.326 0.000) 15.326 12.608 ( -0.000 -20.564 -0.000) 20.564 12.906 ( 0.000 -4.474 -0.000) 4.474 12.977 ( 0.000 -6.605 -0.000) 6.605 13.170 ( 0.000 -10.817 0.000) 10.817 13.183 ( 0.000 -8.619 0.000) 8.619 13.920 ( 0.000 7.354 0.000) 7.354 14.051 ( 0.000 5.730 -0.000) 5.730 14.464 ( 0.000 -14.231 0.000) 14.231 14.526 ( 0.000 -12.615 0.000) 12.615 17.838 ( -0.000 15.865 0.000) 15.865 18.014 ( 0.000 8.900 -0.000) 8.900 18.060 ( -0.000 13.141 0.000) 13.141 18.186 ( 0.000 7.615 -0.000) 7.615 20.622 ( 0.000 9.194 0.000) 9.194 20.767 ( 0.000 9.236 0.000) 9.236 21.078 ( -0.000 -9.822 0.000) 9.822 21.170 ( -0.000 -5.858 -0.000) 5.858 22.633 ( 0.000 4.360 -0.000) 4.360 22.741 ( 0.000 3.127 0.000) 3.127 22.853 ( -0.000 -3.697 0.000) 3.697 22.965 ( -0.000 -5.500 -0.000) 5.500 28.455 ( 0.000 -0.939 -0.000) 0.939 28.473 ( 0.000 -2.186 -0.000) 2.186 28.482 ( -0.000 -2.333 0.000) 2.333 28.511 ( -0.000 -3.828 -0.000) 3.828 29.548 ( 0.000 11.824 -0.000) 11.824 29.839 ( 0.000 1.114 0.000) 1.114 29.962 ( -0.000 9.313 -0.000) 9.313 30.104 ( 0.000 2.884 -0.000) 2.884 30.162 ( 0.000 11.465 0.000) 11.465 30.394 ( 0.000 11.691 0.000) 11.691 30.550 ( 0.000 -3.887 -0.000) 3.887 30.839 ( -0.000 -0.116 -0.000) 0.116 31.052 ( 0.000 -4.366 0.000) 4.366 31.097 ( -0.000 -0.253 -0.000) 0.253 31.206 ( 0.000 0.870 0.000) 0.870 31.317 ( -0.000 -4.725 -0.000) 4.725 31.564 ( 0.000 -4.397 0.000) 4.397 31.732 ( -0.000 7.288 0.000) 7.288 31.827 ( 0.000 -14.583 -0.000) 14.583 32.096 ( 0.000 -10.855 0.000) 10.855 ======================= Grid point 35 (21/84) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 0.000 -11.666 0.000) 11.666 2.867 ( 0.000 11.666 0.000) 11.666 3.063 ( 0.000 -16.991 0.000) 16.991 3.063 ( 0.000 16.991 0.000) 16.991 3.347 ( 0.000 -11.513 0.000) 11.513 3.347 ( 0.000 11.513 0.000) 11.513 3.439 ( 0.000 -7.736 0.000) 7.736 3.439 ( 0.000 7.736 0.000) 7.736 3.650 ( 0.000 -7.440 0.000) 7.440 3.650 ( 0.000 7.440 0.000) 7.440 4.003 ( 0.000 -1.320 0.000) 1.320 4.003 ( 0.000 1.320 0.000) 1.320 4.197 ( 0.000 -0.742 0.000) 0.742 4.197 ( 0.000 0.742 0.000) 0.742 4.502 ( 0.000 -4.774 0.000) 4.774 4.502 ( 0.000 4.774 0.000) 4.774 4.626 ( 0.000 -10.623 0.000) 10.623 4.626 ( 0.000 10.623 0.000) 10.623 4.874 ( 0.000 -3.282 0.000) 3.282 4.874 ( 0.000 3.282 0.000) 3.282 4.966 ( 0.000 -3.019 0.000) 3.019 4.966 ( 0.000 3.019 0.000) 3.019 5.140 ( 0.000 -13.274 0.000) 13.274 5.140 ( 0.000 13.274 0.000) 13.274 5.257 ( 0.000 -4.063 0.000) 4.063 5.257 ( 0.000 4.063 0.000) 4.063 5.572 ( 0.000 -7.512 0.000) 7.512 5.572 ( 0.000 7.512 0.000) 7.512 5.772 ( 0.000 -0.999 0.000) 0.999 5.772 ( 0.000 0.999 0.000) 0.999 6.254 ( 0.000 -2.833 0.000) 2.833 6.254 ( 0.000 2.833 0.000) 2.833 6.305 ( 0.000 -3.616 0.000) 3.616 6.305 ( 0.000 3.616 0.000) 3.616 6.375 ( 0.000 -7.996 0.000) 7.996 6.375 ( 0.000 7.996 0.000) 7.996 6.810 ( 0.000 -20.026 0.000) 20.026 6.810 ( 0.000 20.026 0.000) 20.026 6.966 ( 0.000 -4.509 0.000) 4.509 6.966 ( 0.000 4.509 0.000) 4.509 7.328 ( 0.000 -6.556 0.000) 6.556 7.328 ( 0.000 6.556 0.000) 6.556 7.611 ( 0.000 -3.794 0.000) 3.794 7.611 ( 0.000 3.794 0.000) 3.794 8.303 ( 0.000 -7.335 0.000) 7.335 8.303 ( 0.000 7.335 0.000) 7.335 8.452 ( 0.000 -14.480 0.000) 14.480 8.452 ( 0.000 14.480 0.000) 14.480 8.944 ( 0.000 -3.089 0.000) 3.089 8.944 ( 0.000 3.089 0.000) 3.089 9.032 ( 0.000 -3.919 0.000) 3.919 9.032 ( 0.000 3.919 0.000) 3.919 10.580 ( 0.000 -8.660 0.000) 8.660 10.580 ( 0.000 8.660 0.000) 8.660 10.726 ( 0.000 -2.894 0.000) 2.894 10.726 ( 0.000 2.894 0.000) 2.894 10.921 ( 0.000 -1.731 0.000) 1.731 10.921 ( 0.000 1.731 0.000) 1.731 11.021 ( 0.000 -23.173 0.000) 23.173 11.021 ( 0.000 23.173 0.000) 23.173 11.411 ( 0.000 -26.104 0.000) 26.104 11.411 ( 0.000 26.104 0.000) 26.104 11.555 ( 0.000 -5.159 0.000) 5.159 11.555 ( 0.000 5.159 0.000) 5.159 12.495 ( 0.000 -4.990 0.000) 4.990 12.495 ( 0.000 4.990 0.000) 4.990 12.656 ( 0.000 -4.796 0.000) 4.796 12.656 ( 0.000 4.796 0.000) 4.796 12.972 ( 0.000 -4.476 0.000) 4.476 12.972 ( 0.000 4.476 0.000) 4.476 13.150 ( 0.000 -4.239 0.000) 4.239 13.150 ( 0.000 4.239 0.000) 4.239 13.873 ( 0.000 -13.322 0.000) 13.322 13.873 ( 0.000 13.322 0.000) 13.322 13.885 ( 0.000 -12.603 0.000) 12.603 13.885 ( 0.000 12.603 0.000) 12.603 18.153 ( 0.000 -24.107 0.000) 24.107 18.153 ( 0.000 24.107 0.000) 24.107 18.342 ( 0.000 -19.556 0.000) 19.556 18.342 ( 0.000 19.556 0.000) 19.556 20.496 ( 0.000 -33.971 0.000) 33.971 20.496 ( 0.000 33.971 0.000) 33.971 20.531 ( 0.000 -32.977 0.000) 32.977 20.531 ( 0.000 32.977 0.000) 32.977 23.095 ( 0.000 -10.248 0.000) 10.248 23.095 ( 0.000 10.248 0.000) 10.248 23.153 ( 0.000 -11.816 0.000) 11.816 23.153 ( 0.000 11.816 0.000) 11.816 28.451 ( 0.000 -2.647 0.000) 2.647 28.451 ( 0.000 2.647 0.000) 2.647 28.457 ( 0.000 -3.246 0.000) 3.246 28.457 ( 0.000 3.246 0.000) 3.246 29.688 ( 0.000 -10.961 0.000) 10.961 29.688 ( 0.000 10.961 0.000) 10.961 30.067 ( 0.000 -8.435 0.000) 8.435 30.067 ( 0.000 8.435 0.000) 8.435 30.443 ( 0.000 -8.864 0.000) 8.864 30.443 ( 0.000 8.864 0.000) 8.864 30.589 ( 0.000 -6.850 0.000) 6.850 30.589 ( 0.000 6.850 0.000) 6.850 31.085 ( 0.000 -4.860 0.000) 4.860 31.085 ( 0.000 4.860 0.000) 4.860 31.346 ( 0.000 -0.930 0.000) 0.930 31.346 ( 0.000 0.930 0.000) 0.930 31.606 ( 0.000 -5.719 0.000) 5.719 31.606 ( 0.000 5.719 0.000) 5.719 31.829 ( 0.000 -11.973 0.000) 11.973 31.829 ( 0.000 11.973 0.000) 11.973 ======================= Grid point 37 (22/84) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( -4.610 -6.062 1.377) 7.739 2.821 ( -4.610 6.062 1.377) 7.739 3.017 ( -10.935 -15.918 1.198) 19.349 3.017 ( -10.935 15.918 1.198) 19.349 3.186 ( -15.681 -5.873 -0.425) 16.750 3.186 ( -15.681 5.874 -0.425) 16.750 3.400 ( -4.637 -4.923 0.510) 6.782 3.400 ( -4.637 4.923 0.510) 6.782 3.572 ( 2.682 -4.379 -4.560) 6.867 3.572 ( 2.682 4.379 -4.560) 6.867 3.995 ( -0.556 -4.753 8.069) 9.381 3.995 ( -0.556 4.753 8.069) 9.381 4.199 ( -2.925 -6.878 -5.808) 9.466 4.199 ( -2.925 6.878 -5.808) 9.466 4.349 ( -4.690 -4.191 1.235) 6.410 4.349 ( -4.690 4.191 1.235) 6.410 4.596 ( -1.083 -8.038 1.700) 8.287 4.596 ( -1.083 8.038 1.700) 8.287 4.810 ( -7.719 -6.131 -3.194) 10.362 4.810 ( -7.719 6.131 -3.194) 10.362 5.001 ( 2.217 -6.338 -0.146) 6.716 5.001 ( 2.217 6.338 -0.146) 6.716 5.089 ( -1.616 -3.529 -3.826) 5.451 5.089 ( -1.616 3.529 -3.826) 5.451 5.445 ( 5.610 -4.141 0.880) 7.028 5.445 ( 5.610 4.141 0.880) 7.028 5.647 ( 7.922 -4.117 5.646) 10.564 5.647 ( 7.922 4.117 5.646) 10.564 5.857 ( 6.766 -7.899 0.255) 10.404 5.857 ( 6.766 7.899 0.255) 10.404 6.142 ( -8.181 -3.114 -3.747) 9.522 6.142 ( -8.181 3.114 -3.747) 9.522 6.177 ( -5.971 -4.182 1.841) 7.519 6.177 ( -5.971 4.182 1.841) 7.519 6.420 ( 6.852 -3.214 -1.026) 7.638 6.420 ( 6.852 3.214 -1.026) 7.638 6.984 ( 4.685 -6.206 -1.795) 7.981 6.984 ( 4.685 6.206 -1.795) 7.981 7.150 ( 20.366 -11.152 0.227) 23.220 7.150 ( 20.366 11.152 0.227) 23.220 7.416 ( 0.380 -5.434 2.100) 5.839 7.416 ( 0.380 5.434 2.100) 5.839 7.581 ( 4.536 -5.989 -0.733) 7.549 7.581 ( 4.536 5.989 -0.733) 7.549 8.246 ( -4.440 -6.277 -0.357) 7.697 8.246 ( -4.440 6.277 -0.357) 7.697 8.412 ( -3.858 -13.080 2.322) 13.833 8.412 ( -3.858 13.080 2.322) 13.833 8.992 ( 4.664 -1.702 -0.677) 5.011 8.992 ( 4.664 1.702 -0.677) 5.011 9.085 ( 3.778 -3.097 -0.832) 4.955 9.085 ( 3.778 3.097 -0.832) 4.955 10.535 ( -4.997 -4.007 1.290) 6.534 10.535 ( -4.997 4.007 1.290) 6.534 10.700 ( -2.967 -6.763 -1.310) 7.500 10.700 ( -2.967 6.763 -1.310) 7.500 10.832 ( -5.109 -6.570 -1.600) 8.475 10.832 ( -5.109 6.570 -1.600) 8.475 11.065 ( 1.871 -14.447 3.298) 14.936 11.065 ( 1.871 14.447 3.298) 14.936 11.407 ( 0.125 -14.113 -2.252) 14.292 11.407 ( 0.125 14.113 -2.252) 14.292 11.585 ( 2.421 -0.311 -0.615) 2.517 11.585 ( 2.421 0.311 -0.615) 2.517 12.338 ( -12.838 -4.114 1.636) 13.580 12.338 ( -12.838 4.114 1.636) 13.580 12.535 ( -8.913 -6.886 0.430) 11.271 12.535 ( -8.913 6.886 0.430) 11.271 13.004 ( 0.663 -4.731 1.072) 4.897 13.004 ( 0.663 4.731 1.072) 4.897 13.112 ( -2.619 -3.867 -1.990) 5.077 13.112 ( -2.619 3.867 -1.990) 5.077 13.958 ( 7.238 -13.191 -0.394) 15.051 13.958 ( 7.238 13.191 -0.394) 15.051 14.001 ( 9.211 -11.603 0.450) 14.821 14.001 ( 9.211 11.603 0.450) 14.821 18.127 ( -2.228 -20.277 -0.143) 20.399 18.127 ( -2.228 20.277 -0.143) 20.399 18.311 ( -2.684 -16.239 0.176) 16.460 18.311 ( -2.684 16.239 0.176) 16.460 20.575 ( 7.376 -24.251 -0.034) 25.348 20.575 ( 7.376 24.251 -0.034) 25.348 20.644 ( 9.849 -23.910 -0.098) 25.859 20.644 ( 9.849 23.910 -0.098) 25.859 23.017 ( -7.236 -10.611 0.396) 12.850 23.017 ( -7.236 10.611 0.396) 12.850 23.080 ( -6.533 -11.600 -0.369) 13.319 23.080 ( -6.533 11.600 -0.369) 13.319 28.451 ( -0.040 -1.876 0.189) 1.886 28.451 ( -0.040 1.876 0.189) 1.886 28.458 ( 0.075 -2.501 -0.176) 2.508 28.458 ( 0.075 2.501 -0.176) 2.508 29.704 ( 1.556 -10.277 -0.354) 10.400 29.704 ( 1.556 10.277 -0.354) 10.400 30.077 ( 0.720 -7.262 0.361) 7.307 30.077 ( 0.720 7.262 0.361) 7.307 30.429 ( -1.189 -9.400 -0.531) 9.490 30.429 ( -1.189 9.400 -0.531) 9.490 30.608 ( 1.523 -8.304 0.961) 8.497 30.608 ( 1.523 8.304 0.961) 8.497 31.093 ( 0.508 -4.692 0.557) 4.752 31.093 ( 0.508 4.692 0.557) 4.752 31.279 ( -3.977 -1.004 -2.000) 4.564 31.279 ( -3.977 1.004 -2.000) 4.564 31.662 ( 2.580 -6.303 -0.199) 6.814 31.662 ( 2.580 6.303 -0.199) 6.814 31.817 ( -0.307 -8.788 1.194) 8.874 31.817 ( -0.307 8.788 1.194) 8.874 ======================= Grid point 39 (23/84) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -20.204 -17.707 -2.452) 26.977 2.521 ( -20.204 17.707 -2.452) 26.977 2.711 ( -22.551 -11.435 0.878) 25.300 2.711 ( -22.551 11.435 0.878) 25.300 2.897 ( -0.958 -6.861 3.943) 7.971 2.897 ( -0.958 6.861 3.943) 7.971 3.412 ( 2.161 -3.197 0.514) 3.893 3.412 ( 2.161 3.197 0.514) 3.893 3.718 ( 10.200 -5.337 -3.050) 11.909 3.718 ( 10.200 5.337 -3.050) 11.909 4.031 ( -1.978 -7.587 6.549) 10.216 4.031 ( -1.978 7.587 6.549) 10.216 4.077 ( -1.449 -6.909 -4.544) 8.395 4.077 ( -1.449 6.909 -4.544) 8.395 4.334 ( -2.066 -8.300 -0.434) 8.564 4.334 ( -2.066 8.300 -0.434) 8.564 4.485 ( -9.918 -4.185 -2.225) 10.992 4.485 ( -9.918 4.185 -2.225) 10.992 4.702 ( 2.819 -8.399 -0.021) 8.859 4.702 ( 2.819 8.399 -0.021) 8.859 4.998 ( -3.112 -8.354 -2.421) 9.238 4.998 ( -3.112 8.354 -2.421) 9.238 5.126 ( 4.935 -6.257 -0.153) 7.970 5.126 ( 4.935 6.257 -0.153) 7.970 5.515 ( 1.619 -3.314 3.703) 5.227 5.515 ( 1.619 3.314 3.703) 5.227 5.719 ( 0.607 -3.077 0.646) 3.203 5.719 ( 0.607 3.077 0.646) 3.203 5.897 ( -7.059 -2.268 4.429) 8.636 5.897 ( -7.059 2.268 4.429) 8.636 5.988 ( -0.662 -0.986 -1.710) 2.082 5.988 ( -0.662 0.986 -1.710) 2.082 6.249 ( 8.134 -6.805 -1.906) 10.776 6.249 ( 8.134 6.805 -1.906) 10.776 6.655 ( 12.591 -0.429 1.066) 12.643 6.655 ( 12.591 0.429 1.066) 12.643 6.966 ( -7.704 -7.203 -7.129) 12.730 6.966 ( -7.704 7.203 -7.129) 12.730 7.221 ( -1.141 -1.999 2.280) 3.239 7.221 ( -1.141 1.999 2.280) 3.239 7.677 ( 16.554 -14.122 -0.342) 21.762 7.677 ( 16.554 14.122 -0.342) 21.762 7.788 ( 11.158 -11.768 1.178) 16.259 7.788 ( 11.158 11.768 1.178) 16.259 8.169 ( -1.914 -7.105 0.474) 7.374 8.169 ( -1.914 7.105 0.474) 7.374 8.346 ( -3.723 -14.663 2.896) 15.403 8.346 ( -3.723 14.663 2.896) 15.403 9.052 ( -0.186 -1.434 -1.429) 2.033 9.052 ( -0.186 1.434 -1.429) 2.033 9.173 ( 5.975 -1.440 -0.589) 6.175 9.173 ( 5.975 1.440 -0.589) 6.175 10.407 ( -7.398 -7.187 -1.510) 10.424 10.407 ( -7.398 7.187 -1.510) 10.424 10.520 ( -10.104 -13.772 1.089) 17.116 10.520 ( -10.104 13.773 1.089) 17.116 10.835 ( 3.607 -11.139 -0.460) 11.717 10.835 ( 3.607 11.139 -0.460) 11.718 11.086 ( -1.299 -10.630 2.348) 10.963 11.086 ( -1.299 10.630 2.348) 10.963 11.409 ( 1.202 -9.061 -1.844) 9.324 11.409 ( 1.202 9.061 -1.844) 9.324 11.613 ( 0.488 -10.841 -0.959) 10.894 11.613 ( 0.488 10.841 -0.959) 10.894 12.096 ( -9.944 -3.858 1.208) 10.734 12.096 ( -9.944 3.858 1.208) 10.734 12.393 ( -4.238 -5.875 0.991) 7.311 12.393 ( -4.238 5.875 0.991) 7.311 12.989 ( -1.754 -6.505 0.094) 6.738 12.989 ( -1.754 6.505 0.094) 6.738 13.049 ( -2.327 -5.229 -0.948) 5.802 13.049 ( -2.327 5.229 -0.948) 5.802 14.103 ( 5.870 -14.066 -0.286) 15.244 14.103 ( 5.870 14.066 -0.286) 15.244 14.183 ( 7.076 -12.569 0.252) 14.426 14.183 ( 7.076 12.569 0.252) 14.426 18.078 ( -2.070 -11.629 -0.140) 11.813 18.078 ( -2.070 11.629 -0.140) 11.813 18.256 ( -2.372 -9.037 0.163) 9.345 18.256 ( -2.372 9.037 0.163) 9.345 20.752 ( 8.347 -18.273 0.029) 20.089 20.752 ( 8.347 18.273 0.029) 20.089 20.869 ( 10.336 -18.376 -0.192) 21.084 20.869 ( 10.336 18.376 -0.192) 21.084 22.845 ( -8.379 -9.515 0.384) 12.684 22.845 ( -8.379 9.515 0.384) 12.684 22.923 ( -7.296 -9.459 -0.308) 11.950 22.923 ( -7.296 9.459 -0.308) 11.950 28.452 ( 0.047 -1.112 0.185) 1.128 28.452 ( 0.047 1.112 0.185) 1.128 28.458 ( 0.015 -1.919 -0.176) 1.927 28.458 ( 0.015 1.919 -0.176) 1.927 29.738 ( 1.635 -8.794 -0.315) 8.951 29.738 ( 1.635 8.794 -0.315) 8.951 30.092 ( 0.469 -4.718 0.187) 4.745 30.092 ( 0.469 4.718 0.187) 4.745 30.401 ( -0.958 -9.827 -0.425) 9.883 30.401 ( -0.958 9.827 -0.425) 9.883 30.649 ( 1.563 -11.535 0.964) 11.681 30.649 ( 1.563 11.535 0.964) 11.681 31.093 ( -1.120 -2.813 0.507) 3.070 31.093 ( -1.120 2.813 0.507) 3.070 31.226 ( -0.043 -2.078 -0.160) 2.085 31.226 ( -0.043 2.078 -0.160) 2.085 31.638 ( -2.558 -9.253 -3.993) 10.398 31.638 ( -2.558 9.253 -3.993) 10.398 31.863 ( 2.318 -8.397 3.219) 9.287 31.863 ( 2.318 8.397 3.219) 9.287 ======================= Grid point 41 (24/84) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 0.000 -5.096 0.000) 5.096 2.270 ( 0.000 5.097 0.000) 5.097 2.455 ( 0.000 -4.340 0.000) 4.340 2.455 ( 0.000 4.341 0.000) 4.341 2.910 ( 0.000 -5.447 0.000) 5.447 2.910 ( 0.000 5.447 0.000) 5.447 3.437 ( 0.000 -1.054 0.000) 1.054 3.437 ( 0.000 1.054 -0.000) 1.054 3.861 ( 0.000 -0.639 -0.000) 0.639 3.861 ( 0.000 0.639 -0.000) 0.639 3.980 ( 0.000 -0.365 0.000) 0.365 3.980 ( -0.000 0.365 0.000) 0.365 4.087 ( 0.000 -9.965 -0.000) 9.965 4.087 ( 0.000 9.965 0.000) 9.965 4.259 ( 0.000 -9.211 -0.000) 9.211 4.259 ( 0.000 9.211 -0.000) 9.211 4.376 ( 0.000 -6.458 -0.000) 6.458 4.376 ( 0.000 6.458 0.000) 6.458 4.796 ( 0.000 -15.521 0.000) 15.521 4.796 ( 0.000 15.521 0.000) 15.521 4.907 ( 0.000 -8.935 -0.000) 8.935 4.907 ( 0.000 8.935 -0.000) 8.935 5.175 ( 0.000 -5.844 -0.000) 5.844 5.175 ( 0.000 5.844 0.000) 5.844 5.581 ( 0.000 -3.102 0.000) 3.102 5.581 ( 0.000 3.102 0.000) 3.102 5.746 ( 0.000 -4.989 -0.000) 4.989 5.746 ( 0.000 4.989 -0.000) 4.989 5.765 ( -0.000 -1.526 0.000) 1.526 5.765 ( -0.000 1.526 0.000) 1.526 6.005 ( 0.000 -2.045 -0.000) 2.045 6.005 ( 0.000 2.045 -0.000) 2.045 6.373 ( 0.000 -9.434 0.000) 9.434 6.373 ( 0.000 9.434 0.000) 9.434 6.711 ( 0.000 -0.441 -0.000) 0.441 6.711 ( 0.000 0.441 -0.000) 0.441 6.862 ( 0.000 -0.306 0.000) 0.306 6.862 ( 0.000 0.306 0.000) 0.306 7.257 ( 0.000 -5.241 -0.000) 5.241 7.257 ( 0.000 5.241 0.000) 5.241 7.823 ( -0.000 -6.268 0.000) 6.268 7.823 ( 0.000 6.268 -0.000) 6.268 7.942 ( 0.000 -15.923 0.000) 15.923 7.942 ( 0.000 15.923 -0.000) 15.923 8.180 ( 0.000 -10.425 0.000) 10.425 8.180 ( 0.000 10.425 0.000) 10.425 8.300 ( 0.000 -14.410 0.000) 14.410 8.300 ( 0.000 14.410 -0.000) 14.410 9.026 ( 0.000 -3.937 -0.000) 3.937 9.026 ( 0.000 3.937 -0.000) 3.937 9.255 ( 0.000 -0.819 0.000) 0.819 9.255 ( 0.000 0.819 0.000) 0.819 10.285 ( 0.000 -6.789 -0.000) 6.789 10.285 ( 0.000 6.789 -0.000) 6.789 10.423 ( 0.000 -5.411 0.000) 5.411 10.423 ( 0.000 5.411 -0.000) 5.411 10.888 ( 0.000 -4.318 0.000) 4.318 10.888 ( 0.000 4.318 0.000) 4.318 11.067 ( 0.000 -10.830 -0.000) 10.830 11.067 ( 0.000 10.830 -0.000) 10.830 11.421 ( 0.000 -15.110 0.000) 15.110 11.421 ( 0.000 15.110 -0.000) 15.110 11.611 ( 0.000 -17.458 0.000) 17.458 11.611 ( 0.000 17.458 0.000) 17.458 11.989 ( 0.000 -4.528 0.000) 4.528 11.989 ( 0.000 4.528 0.000) 4.528 12.360 ( 0.000 -0.403 -0.000) 0.403 12.360 ( 0.000 0.403 0.000) 0.403 12.966 ( 0.000 -7.748 -0.000) 7.748 12.966 ( 0.000 7.748 0.000) 7.748 13.020 ( 0.000 -6.634 0.000) 6.634 13.020 ( 0.000 6.634 0.000) 6.634 14.166 ( 0.000 -14.298 0.000) 14.298 14.166 ( 0.000 14.298 0.000) 14.298 14.260 ( 0.000 -12.664 -0.000) 12.664 14.260 ( 0.000 12.664 0.000) 12.664 18.055 ( 0.000 -4.717 -0.000) 4.717 18.055 ( 0.000 4.717 0.000) 4.717 18.230 ( 0.000 -3.198 0.000) 3.198 18.230 ( 0.000 3.198 -0.000) 3.198 20.849 ( 0.000 -11.893 0.000) 11.893 20.849 ( 0.000 11.893 0.000) 11.893 20.988 ( 0.000 -10.998 -0.000) 10.998 20.988 ( 0.000 10.998 -0.000) 10.998 22.747 ( 0.000 -5.963 -0.000) 5.963 22.747 ( 0.000 5.963 -0.000) 5.963 22.837 ( 0.000 -6.100 0.000) 6.100 22.837 ( 0.000 6.100 0.000) 6.100 28.453 ( 0.000 -0.284 -0.000) 0.284 28.453 ( 0.000 0.284 0.000) 0.284 28.457 ( 0.000 -1.330 -0.000) 1.330 28.457 ( 0.000 1.330 0.000) 1.330 29.756 ( 0.000 -7.922 -0.000) 7.922 29.756 ( 0.000 7.922 0.000) 7.922 30.097 ( 0.000 -3.387 -0.000) 3.387 30.097 ( 0.000 3.387 -0.000) 3.387 30.390 ( 0.000 -10.089 0.000) 10.089 30.390 ( 0.000 10.089 0.000) 10.089 30.668 ( 0.000 -13.067 -0.000) 13.067 30.668 ( 0.000 13.067 -0.000) 13.067 31.076 ( 0.000 -2.192 -0.000) 2.192 31.076 ( 0.000 2.192 0.000) 2.192 31.239 ( 0.000 -2.588 -0.000) 2.588 31.239 ( 0.000 2.588 0.000) 2.588 31.589 ( 0.000 -7.311 -0.000) 7.311 31.589 ( 0.000 7.311 0.000) 7.311 31.899 ( 0.000 -8.690 -0.000) 8.690 31.899 ( 0.000 8.690 0.000) 8.690 ======================= Grid point 77 (25/84) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -5.393 0.000 28.060) 28.573 0.698 ( -7.104 0.000 32.238) 33.011 1.167 ( -0.611 0.000 53.437) 53.441 1.526 ( 2.915 0.000 -13.289) 13.605 1.782 ( 3.831 0.000 -14.995) 15.477 2.902 ( 8.366 0.000 -20.509) 22.150 2.968 ( -4.628 0.000 6.639) 8.093 3.223 ( -5.972 0.000 1.665) 6.200 3.294 ( 7.857 0.000 -5.714) 9.715 3.328 ( 1.512 0.000 2.823) 3.203 3.441 ( 1.832 0.000 -10.841) 10.995 3.679 ( -0.514 0.000 -0.406) 0.655 3.700 ( -6.190 0.000 -5.395) 8.211 3.764 ( 2.931 0.000 -2.535) 3.875 4.098 ( -1.575 0.000 9.675) 9.802 4.123 ( -12.347 0.000 4.411) 13.111 4.439 ( 2.443 0.000 -0.082) 2.445 4.714 ( 3.082 0.000 -10.806) 11.237 4.888 ( 4.011 0.000 3.806) 5.530 4.912 ( 2.402 0.000 -2.396) 3.393 5.107 ( 2.949 0.000 7.515) 8.073 5.114 ( 2.814 0.000 7.080) 7.619 5.283 ( 2.133 0.000 -1.510) 2.614 5.342 ( -10.577 0.000 0.804) 10.607 5.424 ( -4.408 0.000 -5.022) 6.682 5.518 ( -1.126 0.000 -7.504) 7.588 5.674 ( -2.540 0.000 -0.494) 2.588 5.704 ( 10.798 0.000 6.244) 12.473 5.772 ( 2.981 0.000 2.459) 3.864 6.033 ( -1.875 0.000 -4.547) 4.919 6.102 ( -8.183 0.000 -8.301) 11.656 6.170 ( 6.330 0.000 -11.804) 13.395 6.203 ( 0.352 0.000 0.861) 0.930 6.291 ( -0.846 0.000 -0.707) 1.103 6.380 ( -1.660 0.000 -0.033) 1.660 6.537 ( -2.871 0.000 -4.412) 5.264 6.629 ( 6.194 0.000 8.726) 10.701 6.835 ( -7.923 0.000 9.631) 12.471 6.914 ( -7.494 0.000 -4.736) 8.865 6.957 ( 9.023 0.000 18.959) 20.996 7.045 ( 6.505 0.000 0.339) 6.514 7.637 ( -6.817 0.000 -9.263) 11.502 7.681 ( -5.630 0.000 3.983) 6.897 7.827 ( 12.246 0.000 2.306) 12.461 8.014 ( 1.951 0.000 2.822) 3.431 8.058 ( -2.122 0.000 0.805) 2.270 8.100 ( 2.124 0.000 -0.533) 2.190 8.303 ( -2.068 0.000 5.692) 6.056 8.356 ( -22.478 0.000 -6.680) 23.450 8.617 ( 1.314 0.000 -6.183) 6.321 9.229 ( -2.437 0.000 1.629) 2.932 9.253 ( 3.608 0.000 0.810) 3.698 9.505 ( -18.017 0.000 -1.044) 18.047 9.666 ( 8.385 0.000 4.209) 9.382 9.685 ( 11.021 0.000 -7.960) 13.595 9.800 ( 13.867 0.000 -1.427) 13.940 10.634 ( -10.281 0.000 4.201) 11.106 10.788 ( 3.286 0.000 -2.685) 4.244 10.913 ( -1.394 0.000 2.529) 2.887 11.035 ( 1.239 0.000 -2.335) 2.643 11.396 ( 7.174 0.000 1.287) 7.289 11.433 ( -7.215 0.000 0.003) 7.215 11.473 ( 0.203 0.000 0.615) 0.647 11.506 ( -0.266 0.000 -0.655) 0.707 13.017 ( 3.162 0.000 3.290) 4.563 13.054 ( 13.284 0.000 1.670) 13.388 13.149 ( -4.932 0.000 -1.379) 5.121 13.204 ( 2.732 0.000 -3.185) 4.196 13.804 ( 10.944 0.000 -0.384) 10.951 13.816 ( -8.428 0.000 -0.807) 8.466 13.872 ( -5.542 0.000 0.904) 5.616 13.886 ( 6.100 0.000 0.394) 6.113 14.479 ( -1.302 0.000 2.194) 2.551 14.587 ( 0.619 0.000 -1.890) 1.989 15.638 ( 0.784 0.000 0.254) 0.824 15.656 ( -2.716 0.000 -0.453) 2.754 15.686 ( -0.796 0.000 0.937) 1.229 15.727 ( -0.260 0.000 -0.689) 0.736 17.498 ( 2.000 0.000 0.322) 2.026 17.516 ( -2.205 0.000 -0.332) 2.230 20.465 ( 0.268 0.000 2.023) 2.041 20.573 ( -0.548 0.000 -2.026) 2.099 22.087 ( -10.458 0.000 -0.060) 10.458 22.096 ( 3.253 0.000 -0.271) 3.264 22.120 ( 3.315 0.000 1.328) 3.571 22.181 ( 0.113 0.000 -1.071) 1.076 22.526 ( -7.241 0.000 0.212) 7.244 22.534 ( 0.923 0.000 -0.087) 0.927 28.405 ( -10.609 0.000 0.363) 10.615 28.423 ( -0.019 0.000 -0.326) 0.327 28.558 ( 0.010 0.000 0.125) 0.125 28.564 ( -0.053 0.000 -0.104) 0.116 28.721 ( -0.765 0.000 0.451) 0.888 28.744 ( 11.717 0.000 -0.449) 11.726 28.907 ( 0.289 0.000 0.101) 0.306 28.909 ( -0.246 0.000 0.020) 0.247 29.791 ( 4.993 0.000 -1.134) 5.121 29.842 ( -7.665 0.000 -2.527) 8.071 30.086 ( -4.691 0.000 5.840) 7.491 30.310 ( 3.048 0.000 -3.070) 4.326 30.851 ( 1.096 0.000 0.317) 1.141 30.903 ( -0.652 0.000 -2.091) 2.191 31.261 ( 0.540 0.000 5.990) 6.014 31.505 ( 0.194 0.000 7.048) 7.051 31.600 ( 1.137 0.000 -7.092) 7.182 31.786 ( 0.048 0.000 -3.643) 3.643 33.991 ( -0.629 0.000 3.693) 3.746 34.178 ( 8.589 0.000 -3.356) 9.221 ======================= Grid point 78 (26/84) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 13.163 0.000 27.267) 30.278 1.101 ( 23.919 0.000 21.436) 32.119 1.832 ( 26.761 0.000 -12.763) 29.649 1.836 ( 38.897 0.000 20.851) 44.133 2.025 ( 23.284 0.000 -13.063) 26.698 2.597 ( -15.680 0.000 -12.744) 20.205 2.764 ( -17.655 0.000 7.885) 19.336 3.122 ( -8.234 0.000 1.114) 8.309 3.439 ( 0.346 0.000 -3.563) 3.580 3.526 ( 12.967 0.000 -6.257) 14.397 3.557 ( 7.545 0.000 -6.238) 9.790 3.656 ( 4.913 0.000 -0.829) 4.983 3.683 ( 9.998 0.000 -5.778) 11.548 3.745 ( 0.848 0.000 -1.813) 2.001 4.160 ( 13.540 0.000 3.014) 13.872 4.162 ( 4.241 0.000 10.958) 11.750 4.487 ( 1.396 0.000 1.807) 2.283 4.694 ( -2.295 0.000 -6.945) 7.314 4.958 ( 4.392 0.000 1.092) 4.526 4.997 ( -1.161 0.000 0.035) 1.162 5.060 ( -6.767 0.000 -1.894) 7.027 5.164 ( -4.032 0.000 3.437) 5.298 5.220 ( 1.804 0.000 8.811) 8.993 5.324 ( -0.832 0.000 -2.966) 3.081 5.411 ( -4.503 0.000 -9.987) 10.956 5.442 ( 9.592 0.000 -0.707) 9.618 5.579 ( -4.403 0.000 -1.983) 4.829 5.747 ( -2.853 0.000 1.952) 3.457 5.818 ( -8.032 0.000 1.178) 8.118 5.861 ( -7.540 0.000 -2.310) 7.886 6.058 ( 2.887 0.000 -3.807) 4.778 6.168 ( -1.185 0.000 -7.698) 7.788 6.277 ( 0.032 0.000 -0.950) 0.950 6.288 ( 6.170 0.000 -1.017) 6.253 6.440 ( -0.876 0.000 0.671) 1.103 6.483 ( 7.125 0.000 0.305) 7.131 6.638 ( -6.331 0.000 7.857) 10.091 6.712 ( -8.869 0.000 -4.355) 9.880 6.908 ( 5.646 0.000 10.448) 11.876 7.161 ( 5.315 0.000 -0.590) 5.347 7.194 ( -1.286 0.000 20.437) 20.477 7.236 ( -31.689 0.000 -8.139) 32.717 7.422 ( -14.078 0.000 0.189) 14.079 7.461 ( -26.652 0.000 2.053) 26.731 7.813 ( -4.104 0.000 3.375) 5.313 7.972 ( 2.783 0.000 -4.148) 4.995 7.985 ( -14.342 0.000 2.786) 14.610 8.280 ( -3.037 0.000 6.489) 7.165 8.323 ( 1.361 0.000 2.259) 2.638 8.589 ( -0.695 0.000 -6.520) 6.557 9.098 ( -18.011 0.000 2.295) 18.156 9.428 ( 16.944 0.000 0.108) 16.944 9.490 ( 15.904 0.000 0.456) 15.910 9.713 ( -8.774 0.000 -1.890) 8.975 9.909 ( 4.785 0.000 -4.346) 6.464 9.936 ( 15.205 0.000 2.790) 15.459 10.548 ( -1.750 0.000 5.585) 5.853 10.667 ( -12.744 0.000 -3.840) 13.310 10.861 ( -5.582 0.000 1.864) 5.885 10.977 ( -5.887 0.000 -3.178) 6.690 11.428 ( 8.009 0.000 -1.879) 8.226 11.545 ( 7.613 0.000 0.077) 7.613 11.557 ( 6.010 0.000 0.493) 6.030 11.624 ( 13.579 0.000 3.444) 14.009 12.795 ( -14.386 0.000 3.122) 14.721 12.959 ( -10.842 0.000 -5.613) 12.209 13.322 ( 7.979 0.000 1.990) 8.223 13.533 ( 8.446 0.000 -7.450) 11.262 13.716 ( 1.861 0.000 -0.994) 2.110 13.819 ( 2.060 0.000 0.555) 2.133 14.135 ( 15.769 0.000 0.048) 15.770 14.299 ( 16.300 0.000 -7.035) 17.753 14.618 ( 2.226 0.000 -1.220) 2.538 14.644 ( 16.087 0.000 -10.372) 19.141 15.535 ( -7.579 0.000 1.247) 7.681 15.585 ( -5.542 0.000 0.205) 5.546 15.784 ( 11.883 0.000 -0.869) 11.915 15.796 ( 7.286 0.000 -0.687) 7.318 17.348 ( -12.734 0.000 -1.097) 12.781 17.413 ( -10.574 0.000 1.766) 10.720 20.585 ( 9.761 0.000 1.164) 9.830 20.586 ( 6.131 0.000 2.822) 6.749 21.903 ( -6.771 0.000 -3.695) 7.714 21.988 ( -9.747 0.000 0.267) 9.751 22.184 ( 1.386 0.000 0.573) 1.500 22.244 ( 2.095 0.000 0.232) 2.108 22.436 ( -2.774 0.000 3.401) 4.389 22.550 ( 0.138 0.000 0.667) 0.681 28.496 ( 8.546 0.000 4.284) 9.560 28.549 ( 0.585 0.000 -0.126) 0.598 28.564 ( 0.109 0.000 -0.016) 0.110 28.636 ( 12.411 0.000 -1.512) 12.503 28.844 ( 15.060 0.000 5.339) 15.978 28.908 ( 0.444 0.000 -0.036) 0.445 28.910 ( 1.236 0.000 -0.067) 1.238 29.438 ( 40.885 0.000 -32.149) 52.011 29.653 ( -7.930 0.000 -5.508) 9.655 29.793 ( -4.941 0.000 2.245) 5.427 29.991 ( -6.336 0.000 4.263) 7.637 30.337 ( 1.497 0.000 -2.566) 2.971 30.945 ( 4.906 0.000 -3.291) 5.908 30.946 ( 7.163 0.000 1.566) 7.332 31.306 ( 0.100 0.000 7.421) 7.421 31.562 ( -1.065 0.000 -6.731) 6.815 31.594 ( 5.295 0.000 4.890) 7.208 31.863 ( 9.148 0.000 -4.901) 10.378 33.757 ( -33.705 0.000 14.016) 36.503 33.794 ( -18.456 0.000 -0.077) 18.456 ======================= Grid point 79 (27/84) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 11.850 0.000 16.978) 20.704 1.683 ( 22.533 0.000 13.146) 26.088 2.060 ( -1.706 0.000 -12.407) 12.523 2.316 ( -15.323 0.000 5.141) 16.162 2.450 ( 21.346 0.000 -10.816) 23.930 2.475 ( 1.510 0.000 4.731) 4.966 2.692 ( 18.788 0.000 1.695) 18.864 2.869 ( -11.837 0.000 -3.609) 12.375 3.372 ( 8.170 0.000 0.888) 8.219 3.640 ( 9.413 0.000 -2.036) 9.630 3.756 ( 8.980 0.000 1.618) 9.124 3.839 ( 16.540 0.000 -10.445) 19.562 3.959 ( 12.440 0.000 -5.450) 13.582 4.043 ( 8.727 0.000 6.457) 10.856 4.327 ( 4.422 0.000 9.021) 10.047 4.404 ( 6.564 0.000 -0.651) 6.596 4.599 ( 13.400 0.000 -0.086) 13.400 4.660 ( 7.472 0.000 -2.392) 7.845 4.792 ( -10.937 0.000 4.091) 11.677 4.984 ( -9.127 0.000 -5.064) 10.438 5.021 ( -2.759 0.000 -4.305) 5.113 5.097 ( 4.145 0.000 -1.737) 4.494 5.241 ( -5.239 0.000 -1.821) 5.546 5.292 ( 0.191 0.000 3.506) 3.512 5.334 ( 2.629 0.000 -3.218) 4.155 5.417 ( -14.447 0.000 0.735) 14.466 5.587 ( 3.600 0.000 2.413) 4.334 5.703 ( 9.014 0.000 0.523) 9.029 5.767 ( -3.705 0.000 -0.032) 3.705 5.815 ( 1.121 0.000 0.544) 1.246 5.975 ( -10.393 0.000 -1.563) 10.510 6.059 ( -8.212 0.000 -1.869) 8.422 6.162 ( -11.393 0.000 -4.640) 12.301 6.262 ( -1.001 0.000 -1.055) 1.454 6.433 ( -5.642 0.000 -2.570) 6.200 6.508 ( -4.680 0.000 5.941) 7.563 6.579 ( -17.769 0.000 -5.591) 18.628 6.609 ( -11.811 0.000 0.525) 11.822 6.707 ( 5.469 0.000 1.806) 5.759 6.779 ( -10.677 0.000 12.799) 16.668 7.049 ( -0.758 0.000 -0.592) 0.962 7.220 ( -1.920 0.000 -1.679) 2.551 7.296 ( 2.048 0.000 -2.093) 2.928 7.319 ( -5.046 0.000 7.754) 9.251 7.750 ( -2.608 0.000 1.404) 2.962 7.889 ( 1.607 0.000 5.260) 5.500 8.032 ( 4.613 0.000 -3.049) 5.530 8.216 ( -6.038 0.000 -5.847) 8.405 8.245 ( -3.661 0.000 6.526) 7.483 8.523 ( -1.966 0.000 -6.941) 7.214 8.841 ( -8.418 0.000 6.061) 10.373 9.315 ( -17.332 0.000 -2.756) 17.550 9.845 ( 15.468 0.000 -0.150) 15.469 9.867 ( 18.025 0.000 0.469) 18.031 10.064 ( 8.356 0.000 -0.179) 8.358 10.177 ( 6.132 0.000 -0.383) 6.144 10.402 ( -7.761 0.000 -2.894) 8.283 10.512 ( -3.444 0.000 2.250) 4.114 10.686 ( -11.945 0.000 2.190) 12.145 10.779 ( -10.454 0.000 -4.224) 11.275 11.634 ( 11.168 0.000 0.194) 11.170 11.719 ( 8.974 0.000 0.135) 8.975 11.779 ( 12.033 0.000 -0.971) 12.072 11.889 ( 7.087 0.000 2.416) 7.487 12.540 ( -11.672 0.000 4.866) 12.645 12.745 ( -5.396 0.000 -6.055) 8.111 13.357 ( -4.747 0.000 5.893) 7.567 13.496 ( -3.599 0.000 -4.739) 5.951 13.871 ( 9.947 0.000 0.036) 9.947 13.962 ( 7.902 0.000 0.105) 7.903 14.460 ( 3.864 0.000 0.386) 3.883 14.466 ( 13.451 0.000 0.739) 13.471 14.633 ( 0.306 0.000 0.036) 0.308 14.791 ( 4.781 0.000 -6.362) 7.958 15.381 ( -7.388 0.000 1.009) 7.457 15.439 ( -7.862 0.000 -0.151) 7.863 16.031 ( 15.290 0.000 0.548) 15.299 16.132 ( 20.579 0.000 -4.162) 20.996 17.032 ( -16.384 0.000 -0.346) 16.388 17.128 ( -16.685 0.000 1.415) 16.745 20.824 ( 13.153 0.000 2.348) 13.361 20.839 ( 13.920 0.000 -0.929) 13.951 21.713 ( -9.271 0.000 -4.758) 10.421 21.745 ( -13.417 0.000 0.158) 13.418 22.199 ( 0.259 0.000 0.271) 0.375 22.251 ( -0.887 0.000 0.246) 0.921 22.419 ( -0.761 0.000 2.936) 3.033 22.543 ( -0.751 0.000 0.032) 0.752 28.549 ( -0.070 0.000 -0.008) 0.070 28.560 ( 0.035 0.000 -0.341) 0.343 28.700 ( 6.758 0.000 5.723) 8.855 28.814 ( 7.004 0.000 -3.449) 7.807 28.930 ( 3.996 0.000 -1.429) 4.244 28.931 ( 1.979 0.000 1.047) 2.239 29.304 ( 12.982 0.000 9.047) 15.823 29.399 ( -9.529 0.000 -3.790) 10.255 29.689 ( -2.730 0.000 7.909) 8.367 29.870 ( -8.217 0.000 3.660) 8.995 29.954 ( 21.170 0.000 -26.123) 33.624 30.384 ( 7.053 0.000 -8.661) 11.169 31.036 ( 5.117 0.000 -3.161) 6.014 31.105 ( 5.360 0.000 1.940) 5.700 31.337 ( -1.030 0.000 8.917) 8.977 31.518 ( 0.290 0.000 -4.214) 4.223 31.760 ( 7.530 0.000 7.849) 10.877 32.091 ( 15.148 0.000 -4.749) 15.875 33.191 ( -27.885 0.000 11.359) 30.110 33.331 ( -21.874 0.000 -6.676) 22.870 ======================= Grid point 80 (28/84) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 8.744 0.000 4.387) 9.783 1.936 ( -0.445 0.000 -6.163) 6.179 2.000 ( -12.909 0.000 17.171) 21.482 2.136 ( 5.255 0.000 9.824) 11.141 2.271 ( -11.589 0.000 6.162) 13.126 2.739 ( 1.346 0.000 -10.473) 10.559 2.800 ( 6.163 0.000 -5.937) 8.557 2.818 ( 7.543 0.000 -4.464) 8.765 3.685 ( -1.211 0.000 5.218) 5.357 3.803 ( -16.251 0.000 -6.062) 17.345 3.904 ( 0.726 0.000 3.417) 3.494 3.970 ( 11.103 0.000 3.067) 11.519 4.023 ( -0.709 0.000 0.178) 0.731 4.133 ( 5.480 0.000 -7.418) 9.223 4.348 ( -1.059 0.000 -5.007) 5.117 4.355 ( 3.342 0.000 5.297) 6.263 4.624 ( -10.875 0.000 -1.533) 10.982 4.766 ( 2.042 0.000 6.351) 6.671 4.789 ( -3.054 0.000 -4.632) 5.548 4.990 ( -3.048 0.000 -5.894) 6.636 5.005 ( 3.321 0.000 -5.125) 6.107 5.138 ( -2.881 0.000 -6.071) 6.720 5.203 ( -11.123 0.000 -0.361) 11.128 5.244 ( 19.197 0.000 -1.828) 19.283 5.355 ( -6.799 0.000 3.997) 7.887 5.435 ( 8.783 0.000 4.265) 9.763 5.565 ( -1.631 0.000 -3.338) 3.715 5.610 ( 3.813 0.000 -2.633) 4.634 5.704 ( -0.483 0.000 3.526) 3.559 5.814 ( -0.986 0.000 -0.069) 0.988 5.864 ( -4.780 0.000 4.060) 6.272 5.872 ( 2.558 0.000 -0.293) 2.575 6.152 ( 10.387 0.000 4.434) 11.294 6.241 ( 0.226 0.000 -0.041) 0.230 6.324 ( -4.934 0.000 -0.596) 4.970 6.369 ( -1.604 0.000 -3.370) 3.732 6.471 ( 5.822 0.000 2.341) 6.275 6.487 ( -2.374 0.000 3.015) 3.837 6.791 ( 1.884 0.000 3.810) 4.251 6.821 ( -1.711 0.000 6.364) 6.590 7.018 ( -0.612 0.000 -0.866) 1.060 7.197 ( -7.166 0.000 0.800) 7.211 7.209 ( 1.823 0.000 -3.645) 4.076 7.276 ( -2.297 0.000 -2.704) 3.548 7.786 ( 2.174 0.000 4.340) 4.854 7.934 ( -1.416 0.000 4.520) 4.737 8.084 ( -3.774 0.000 -6.489) 7.506 8.108 ( 3.782 0.000 -3.570) 5.201 8.193 ( -3.390 0.000 4.796) 5.873 8.479 ( 2.198 0.000 -6.278) 6.651 8.813 ( 1.880 0.000 7.877) 8.099 9.080 ( -1.802 0.000 -3.911) 4.306 9.983 ( -1.100 0.000 0.175) 1.114 10.036 ( -2.188 0.000 -2.802) 3.555 10.261 ( 6.559 0.000 0.190) 6.561 10.293 ( -8.366 0.000 -1.805) 8.558 10.359 ( 15.068 0.000 -0.154) 15.069 10.371 ( -10.678 0.000 -0.474) 10.688 10.478 ( -4.730 0.000 4.215) 6.336 10.651 ( 3.889 0.000 -3.976) 5.562 11.824 ( 1.009 0.000 0.867) 1.330 11.847 ( -3.887 0.000 0.376) 3.905 11.895 ( 0.089 0.000 -0.584) 0.590 11.907 ( 4.152 0.000 -0.499) 4.182 12.407 ( -3.625 0.000 5.357) 6.468 12.693 ( 2.023 0.000 -5.737) 6.083 13.286 ( -2.926 0.000 4.861) 5.674 13.474 ( 4.445 0.000 -1.777) 4.787 14.000 ( 0.795 0.000 1.273) 1.501 14.050 ( -0.497 0.000 -0.490) 0.698 14.492 ( 0.183 0.000 1.195) 1.209 14.553 ( -0.447 0.000 -1.049) 1.140 14.704 ( 0.419 0.000 1.901) 1.947 14.839 ( 1.343 0.000 -3.234) 3.502 15.297 ( 0.275 0.000 1.069) 1.103 15.331 ( -0.335 0.000 -0.301) 0.451 16.281 ( 0.318 0.000 2.464) 2.485 16.447 ( 5.184 0.000 -4.068) 6.590 16.810 ( 1.756 0.000 0.717) 1.897 16.852 ( -3.592 0.000 -0.139) 3.595 20.986 ( -2.850 0.000 1.244) 3.110 21.051 ( 2.232 0.000 -1.058) 2.470 21.526 ( -2.971 0.000 -0.726) 3.058 21.584 ( 3.044 0.000 -3.644) 4.748 22.210 ( 0.751 0.000 0.546) 0.929 22.232 ( -0.633 0.000 -0.259) 0.683 22.430 ( 0.294 0.000 3.304) 3.317 22.527 ( -0.515 0.000 -0.919) 1.054 28.549 ( 0.035 0.000 0.053) 0.063 28.558 ( -0.016 0.000 -0.443) 0.443 28.763 ( -3.166 0.000 3.763) 4.918 28.865 ( 0.565 0.000 -0.680) 0.884 28.955 ( -2.450 0.000 1.248) 2.750 29.097 ( 11.818 0.000 -4.306) 12.578 29.268 ( -10.848 0.000 2.019) 11.035 29.321 ( 5.583 0.000 -1.278) 5.727 29.652 ( -15.868 0.000 4.581) 16.516 29.870 ( 7.756 0.000 11.757) 14.085 30.115 ( 6.235 0.000 -10.838) 12.503 30.527 ( 11.786 0.000 -18.751) 22.147 31.112 ( 3.321 0.000 -1.419) 3.611 31.126 ( -3.080 0.000 -1.341) 3.359 31.359 ( -1.420 0.000 9.299) 9.406 31.537 ( 2.263 0.000 -1.487) 2.708 31.986 ( 8.978 0.000 16.456) 18.746 32.317 ( 1.656 0.000 -1.727) 2.393 32.702 ( -23.694 0.000 -0.528) 23.700 33.031 ( 3.534 0.000 -8.226) 8.953 ======================= Grid point 81 (29/84) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -24.199 0.000 15.205) 28.580 1.669 ( -29.188 0.000 11.595) 31.407 2.097 ( 11.976 0.000 -9.209) 15.107 2.192 ( 9.830 0.000 -1.386) 9.927 2.371 ( -4.036 0.000 2.762) 4.891 2.493 ( -29.740 0.000 2.124) 29.816 2.678 ( -12.322 0.000 -2.511) 12.576 3.034 ( 13.225 0.000 -3.350) 13.643 3.348 ( -16.569 0.000 0.551) 16.578 3.388 ( -1.619 0.000 -7.167) 7.347 3.738 ( -11.591 0.000 -2.139) 11.787 3.960 ( -7.141 0.000 -1.073) 7.222 3.972 ( -10.534 0.000 0.226) 10.537 4.348 ( -11.666 0.000 8.535) 14.455 4.353 ( -5.054 0.000 9.716) 10.952 4.403 ( 7.112 0.000 -7.465) 10.310 4.465 ( -7.937 0.000 -3.464) 8.660 4.548 ( -11.343 0.000 0.795) 11.370 4.839 ( 9.802 0.000 0.486) 9.814 4.939 ( -8.278 0.000 -8.696) 12.006 4.943 ( 5.605 0.000 2.328) 6.069 5.027 ( 2.008 0.000 -1.933) 2.788 5.106 ( 1.426 0.000 -1.265) 1.906 5.247 ( 10.565 0.000 -0.822) 10.597 5.481 ( 3.680 0.000 0.746) 3.755 5.509 ( 0.978 0.000 -2.177) 2.386 5.697 ( -1.974 0.000 3.573) 4.082 5.722 ( -4.206 0.000 -1.497) 4.464 5.791 ( 0.874 0.000 -0.475) 0.995 5.867 ( 2.567 0.000 0.907) 2.722 6.023 ( 6.922 0.000 1.132) 7.014 6.032 ( 30.287 0.000 -5.396) 30.764 6.271 ( 1.220 0.000 -1.877) 2.239 6.301 ( -4.520 0.000 -4.137) 6.128 6.324 ( 6.131 0.000 1.872) 6.411 6.433 ( -2.640 0.000 -1.511) 3.042 6.549 ( 20.782 0.000 4.361) 21.235 6.593 ( 2.272 0.000 1.981) 3.014 6.764 ( -4.473 0.000 3.227) 5.516 6.906 ( -7.641 0.000 1.339) 7.757 6.976 ( 16.690 0.000 5.618) 17.610 7.138 ( -2.010 0.000 -7.283) 7.556 7.180 ( 2.583 0.000 2.124) 3.345 7.349 ( 7.379 0.000 8.652) 11.372 7.821 ( -2.495 0.000 4.831) 5.437 7.912 ( 1.313 0.000 4.161) 4.363 7.991 ( -1.634 0.000 -6.409) 6.614 8.129 ( 0.788 0.000 -5.163) 5.223 8.214 ( 2.063 0.000 5.994) 6.339 8.547 ( 5.672 0.000 -5.594) 7.967 9.006 ( 12.444 0.000 10.430) 16.237 9.155 ( 9.675 0.000 -8.189) 12.675 9.831 ( -17.356 0.000 -0.424) 17.361 9.844 ( -14.020 0.000 0.828) 14.044 10.072 ( -8.576 0.000 -1.536) 8.712 10.073 ( -9.221 0.000 0.178) 9.223 10.404 ( 3.970 0.000 -1.106) 4.121 10.533 ( 5.985 0.000 0.765) 6.034 10.667 ( 12.943 0.000 0.820) 12.969 10.815 ( 10.483 0.000 -2.594) 10.799 11.653 ( -9.956 0.000 -0.528) 9.970 11.682 ( -10.173 0.000 1.201) 10.244 11.834 ( -8.842 0.000 -1.966) 9.058 11.895 ( -9.870 0.000 3.265) 10.395 12.485 ( 9.879 0.000 3.109) 10.356 12.767 ( 8.448 0.000 -4.225) 9.446 13.317 ( 2.928 0.000 3.194) 4.333 13.623 ( 8.819 0.000 -1.992) 9.041 13.921 ( -7.775 0.000 1.775) 7.975 13.926 ( -10.252 0.000 -1.481) 10.358 14.465 ( -11.460 0.000 0.272) 11.463 14.474 ( -4.253 0.000 1.012) 4.371 14.648 ( -1.887 0.000 0.825) 2.059 14.821 ( 0.715 0.000 -7.869) 7.902 15.399 ( 7.325 0.000 1.622) 7.502 15.424 ( 7.501 0.000 -0.758) 7.539 16.061 ( -15.289 0.000 0.928) 15.318 16.213 ( -17.072 0.000 -6.130) 18.140 17.067 ( 16.283 0.000 -1.291) 16.334 17.096 ( 17.983 0.000 2.230) 18.121 20.768 ( -14.291 0.000 1.497) 14.369 20.859 ( -15.323 0.000 0.189) 15.324 21.674 ( 12.937 0.000 -2.376) 13.153 21.763 ( 11.891 0.000 -2.125) 12.079 22.226 ( 0.119 0.000 -0.704) 0.714 22.233 ( 0.972 0.000 0.875) 1.308 22.467 ( 1.539 0.000 4.531) 4.785 22.517 ( 0.146 0.000 -1.326) 1.334 28.551 ( 0.129 0.000 0.109) 0.168 28.552 ( -0.751 0.000 -0.331) 0.821 28.643 ( -8.074 0.000 3.254) 8.705 28.855 ( -1.668 0.000 -0.981) 1.935 28.913 ( -0.914 0.000 -0.079) 0.917 29.027 ( -10.437 0.000 -1.215) 10.508 29.215 ( -20.907 0.000 8.124) 22.430 29.387 ( 9.225 0.000 -4.610) 10.312 29.503 ( 8.945 0.000 0.067) 8.945 30.029 ( 3.202 0.000 8.539) 9.120 30.170 ( 4.418 0.000 -6.972) 8.254 30.598 ( 5.150 0.000 -27.707) 28.182 31.015 ( -5.962 0.000 -1.779) 6.222 31.157 ( 1.449 0.000 -0.147) 1.456 31.363 ( -2.822 0.000 6.469) 7.057 31.574 ( 2.280 0.000 -2.560) 3.428 32.089 ( -22.072 0.000 -17.637) 28.253 32.128 ( -12.397 0.000 -4.249) 13.105 32.422 ( 11.644 0.000 37.293) 39.068 33.361 ( 23.564 0.000 -2.080) 23.656 ======================= Grid point 82 (30/84) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -27.386 0.000 23.409) 36.028 1.079 ( -34.302 0.000 20.595) 40.010 1.524 ( -51.769 0.000 22.303) 56.369 1.877 ( -25.017 0.000 -10.778) 27.240 2.010 ( -13.747 0.000 -15.482) 20.705 2.533 ( 23.854 0.000 -7.464) 24.995 2.864 ( 10.589 0.000 9.824) 14.445 3.237 ( 9.687 0.000 -14.256) 17.235 3.267 ( 1.396 0.000 8.743) 8.853 3.317 ( -5.588 0.000 -6.428) 8.517 3.654 ( -16.403 0.000 -1.420) 16.465 3.658 ( 6.157 0.000 -6.456) 8.921 3.832 ( -1.546 0.000 -1.823) 2.391 3.953 ( -20.467 0.000 -4.347) 20.923 4.143 ( -10.452 0.000 8.205) 13.288 4.364 ( -11.931 0.000 7.249) 13.960 4.409 ( 0.868 0.000 0.487) 0.995 4.664 ( 10.040 0.000 1.110) 10.101 4.789 ( -0.693 0.000 -8.326) 8.355 4.965 ( -0.612 0.000 -2.193) 2.277 5.041 ( 2.050 0.000 2.473) 3.212 5.050 ( 1.302 0.000 1.799) 2.221 5.203 ( 5.754 0.000 1.842) 6.042 5.462 ( 5.278 0.000 -3.916) 6.572 5.469 ( 1.737 0.000 -9.688) 9.842 5.546 ( 0.547 0.000 1.472) 1.570 5.598 ( -6.302 0.000 -2.025) 6.620 5.669 ( 0.452 0.000 -1.962) 2.014 5.789 ( -1.661 0.000 1.790) 2.442 6.026 ( 11.483 0.000 -1.987) 11.653 6.063 ( -1.901 0.000 2.713) 3.313 6.207 ( -1.619 0.000 1.427) 2.157 6.217 ( 0.054 0.000 -13.091) 13.091 6.296 ( 0.686 0.000 -0.324) 0.759 6.425 ( 2.741 0.000 2.308) 3.584 6.534 ( -0.243 0.000 3.720) 3.727 6.588 ( -1.506 0.000 -1.604) 2.200 6.747 ( 1.186 0.000 12.223) 12.280 6.857 ( 10.192 0.000 1.025) 10.243 6.936 ( 1.703 0.000 10.056) 10.199 7.055 ( -2.794 0.000 -3.736) 4.665 7.286 ( 18.465 0.000 -4.156) 18.927 7.506 ( 22.963 0.000 1.704) 23.026 7.695 ( 15.393 0.000 10.953) 18.892 7.798 ( 6.523 0.000 7.912) 10.254 7.972 ( 1.213 0.000 -3.261) 3.479 8.020 ( 7.402 0.000 9.231) 11.832 8.137 ( 2.631 0.000 -3.604) 4.462 8.293 ( 1.885 0.000 5.786) 6.085 8.605 ( 2.890 0.000 -5.946) 6.611 9.320 ( 8.028 0.000 -7.518) 10.999 9.329 ( 4.109 0.000 9.629) 10.469 9.472 ( -7.164 0.000 0.353) 7.173 9.490 ( -15.233 0.000 -1.437) 15.301 9.858 ( -13.274 0.000 -0.582) 13.287 9.967 ( -5.925 0.000 3.018) 6.649 10.505 ( 7.906 0.000 2.513) 8.296 10.677 ( 7.498 0.000 -2.003) 7.760 10.864 ( 5.488 0.000 1.471) 5.681 10.978 ( 6.080 0.000 -2.493) 6.571 11.483 ( -7.858 0.000 -1.070) 7.930 11.514 ( -5.457 0.000 0.908) 5.532 11.583 ( -10.002 0.000 -2.669) 10.352 11.645 ( -13.503 0.000 3.939) 14.066 12.762 ( 13.995 0.000 2.094) 14.151 12.970 ( 11.835 0.000 -4.664) 12.721 13.342 ( -5.021 0.000 2.386) 5.559 13.593 ( -17.708 0.000 -8.160) 19.498 13.779 ( 2.870 0.000 -3.656) 4.648 13.793 ( -2.629 0.000 1.833) 3.204 14.143 ( -17.856 0.000 0.760) 17.873 14.273 ( -17.047 0.000 -9.945) 19.736 14.616 ( -1.898 0.000 -1.246) 2.270 14.679 ( -12.033 0.000 -15.488) 19.613 15.565 ( 5.871 0.000 -0.575) 5.899 15.565 ( 7.522 0.000 1.527) 7.675 15.812 ( -8.024 0.000 -0.431) 8.036 15.847 ( -12.950 0.000 -5.489) 14.066 17.357 ( 11.500 0.000 -1.282) 11.572 17.420 ( 10.977 0.000 1.499) 11.079 20.559 ( -5.200 0.000 5.212) 7.363 20.572 ( -11.052 0.000 0.881) 11.087 21.919 ( 11.650 0.000 -2.480) 11.911 21.973 ( 8.955 0.000 -0.759) 8.987 22.218 ( -0.937 0.000 -0.806) 1.236 22.237 ( -1.862 0.000 0.173) 1.870 22.520 ( 0.719 0.000 -1.002) 1.233 22.547 ( 3.723 0.000 3.861) 5.364 28.494 ( -3.731 0.000 3.609) 5.191 28.554 ( -0.128 0.000 0.121) 0.176 28.570 ( -0.722 0.000 0.472) 0.863 28.660 ( -17.789 0.000 -1.898) 17.890 28.815 ( -9.757 0.000 4.237) 10.638 28.906 ( -0.069 0.000 -0.030) 0.076 28.927 ( -2.693 0.000 0.902) 2.840 29.526 ( -13.445 0.000 -18.840) 23.145 29.622 ( 11.804 0.000 -3.075) 12.198 30.101 ( -0.060 0.000 6.822) 6.822 30.218 ( -3.909 0.000 -20.468) 20.838 30.291 ( -15.609 0.000 -34.817) 38.156 30.894 ( -4.552 0.000 -0.694) 4.605 31.079 ( -13.274 0.000 -9.446) 16.292 31.253 ( -5.075 0.000 4.411) 6.724 31.547 ( -12.083 0.000 6.229) 13.594 31.599 ( 1.897 0.000 -5.025) 5.372 31.889 ( -7.822 0.000 -4.204) 8.880 33.230 ( 44.610 0.000 48.752) 66.082 33.797 ( 16.822 0.000 1.759) 16.914 ======================= Grid point 83 (31/84) ======================= q-point: ( 0.00 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -1.450 28.152 19.162) 34.085 1.075 ( 3.031 23.861 26.105) 35.496 1.516 ( -7.120 34.288 33.197) 48.254 1.796 ( 1.241 23.905 -12.572) 27.038 2.084 ( 5.997 20.340 -15.888) 26.497 2.738 ( 4.790 -8.736 -11.294) 15.061 3.067 ( -2.897 8.776 4.238) 10.167 3.226 ( -3.718 4.377 2.583) 6.297 3.338 ( -8.899 1.901 1.448) 9.214 3.369 ( 4.105 5.929 2.652) 7.684 3.536 ( 6.975 5.304 -11.429) 14.402 3.666 ( 7.421 6.171 -4.622) 10.701 3.804 ( -8.177 5.669 -3.665) 10.603 3.928 ( -5.852 8.818 -3.991) 11.311 4.134 ( 8.330 12.989 -0.520) 15.440 4.354 ( -7.792 6.594 3.208) 10.700 4.496 ( -3.941 5.314 -3.385) 7.432 4.686 ( 1.877 -3.753 2.981) 5.147 4.867 ( 3.367 1.227 5.613) 6.659 4.957 ( 3.190 -4.279 4.576) 7.030 5.099 ( 5.429 4.806 -5.232) 8.941 5.106 ( -5.577 -6.763 -1.869) 8.963 5.259 ( 0.175 -6.335 0.139) 6.339 5.293 ( -0.337 -1.877 -1.565) 2.467 5.408 ( 0.077 3.621 -2.428) 4.360 5.553 ( 0.581 0.368 -3.074) 3.150 5.653 ( 5.330 -1.014 -0.273) 5.432 5.694 ( 1.203 -1.233 -1.256) 2.133 5.788 ( -2.095 1.159 0.676) 2.488 5.927 ( -2.749 -4.654 -0.324) 5.415 5.999 ( -2.196 -7.106 -5.191) 9.070 6.181 ( -0.719 -2.333 -11.039) 11.305 6.265 ( 2.669 2.969 -3.392) 5.239 6.305 ( -1.135 1.967 -5.212) 5.685 6.442 ( -0.596 4.821 0.065) 4.859 6.590 ( -3.951 4.532 -3.635) 7.026 6.722 ( 7.586 6.906 5.771) 11.770 6.840 ( -12.799 0.191 2.400) 13.024 6.915 ( 5.561 -0.580 11.832) 13.087 6.986 ( -2.231 4.250 5.292) 7.144 7.065 ( 6.774 4.039 -0.760) 7.923 7.454 ( -5.251 -18.701 -0.094) 19.424 7.689 ( 11.355 -6.452 -0.633) 13.075 7.706 ( -8.553 1.864 -2.103) 9.003 7.903 ( 0.119 -10.742 5.416) 12.031 7.966 ( 10.327 -5.722 8.265) 14.412 8.107 ( -9.197 5.145 4.612) 11.504 8.282 ( -0.909 6.610 1.338) 6.805 8.381 ( -4.105 7.593 4.732) 9.843 8.677 ( 3.652 1.957 -3.677) 5.539 8.966 ( -1.459 -17.715 2.148) 17.905 9.109 ( 0.994 -16.478 -2.149) 16.647 9.592 ( -9.870 6.910 1.627) 12.158 9.771 ( 4.365 7.645 -4.089) 9.706 9.787 ( 11.739 7.023 4.107) 14.282 9.821 ( -8.659 10.790 0.172) 13.835 10.484 ( 0.371 -0.955 6.980) 7.055 10.750 ( 1.256 -3.776 -4.052) 5.679 10.850 ( -1.315 -3.623 1.923) 4.307 10.957 ( 1.918 -6.539 -2.071) 7.122 11.413 ( 6.048 1.727 2.561) 6.791 11.562 ( -6.426 6.180 -2.552) 9.274 11.690 ( 0.688 15.482 -0.252) 15.499 11.752 ( -3.101 13.907 -4.835) 15.046 12.948 ( 0.594 -6.102 3.540) 7.079 13.017 ( 4.626 -2.619 2.725) 5.973 13.123 ( -2.574 -2.517 -1.666) 3.967 13.176 ( -0.422 -1.126 -5.098) 5.237 13.732 ( 2.929 -7.804 0.451) 8.347 13.752 ( -0.931 -7.368 -0.245) 7.431 13.958 ( -2.597 4.239 2.904) 5.757 14.316 ( 6.748 -10.005 -2.448) 12.314 14.359 ( -0.785 1.945 -14.626) 14.776 14.440 ( -0.821 -13.776 -1.943) 13.937 15.451 ( 0.465 -15.338 1.263) 15.397 15.475 ( -0.063 -14.989 -0.104) 14.990 15.860 ( -0.114 17.429 0.561) 17.438 16.087 ( 1.348 29.661 -16.485) 33.961 17.712 ( 1.989 19.911 0.822) 20.027 17.836 ( -2.208 24.571 -8.430) 26.070 20.159 ( -3.252 -25.398 2.311) 25.709 20.203 ( 2.634 -26.238 1.938) 26.441 22.099 ( -2.669 -2.040 0.616) 3.415 22.121 ( 2.565 -1.084 -0.439) 2.819 22.163 ( -5.037 4.273 1.013) 6.682 22.227 ( 3.185 4.600 -1.352) 5.756 22.654 ( -3.349 13.605 5.137) 14.923 22.734 ( 0.874 17.523 -0.296) 17.547 28.392 ( -1.033 0.045 0.929) 1.390 28.416 ( -0.575 -0.685 -0.278) 0.937 28.548 ( 0.078 5.678 2.634) 6.260 28.616 ( -0.337 3.131 -0.257) 3.159 28.708 ( -0.484 -0.563 1.192) 1.405 28.801 ( 1.304 7.778 -2.220) 8.193 29.139 ( -1.155 21.608 6.162) 22.499 29.765 ( 4.624 16.154 -13.817) 21.754 29.831 ( 4.160 3.776 -1.243) 5.754 30.034 ( -9.259 29.241 -23.939) 38.908 30.158 ( -5.841 13.724 -7.912) 16.884 30.311 ( 2.795 -0.036 -2.228) 3.574 30.854 ( 0.779 0.507 -1.430) 1.705 30.912 ( -1.045 1.022 -2.629) 3.008 31.259 ( 1.103 0.291 5.235) 5.358 31.480 ( 0.103 -2.302 5.989) 6.417 31.580 ( 0.846 -1.886 -6.776) 7.085 31.735 ( 0.168 -4.793 -3.225) 5.779 33.521 ( 6.537 -42.361 29.028) 51.766 33.773 ( -0.819 -19.851 1.470) 19.922 ======================= Grid point 84 (32/84) ======================= q-point: ( 0.17 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 8.585 18.789 20.951) 29.422 1.438 ( 22.866 20.708 17.174) 35.308 1.937 ( 21.346 12.075 -12.502) 27.527 2.068 ( 32.483 24.809 18.546) 44.884 2.279 ( 10.717 12.192 -20.432) 26.095 2.702 ( 1.914 13.405 -3.046) 13.879 2.863 ( -18.714 8.980 4.147) 21.168 3.188 ( -3.270 6.039 0.345) 6.876 3.342 ( 9.976 -1.802 0.418) 10.146 3.419 ( 1.519 -2.732 0.635) 3.190 3.570 ( -7.020 3.926 -0.925) 8.096 3.660 ( 7.919 -0.225 -6.184) 10.051 3.770 ( 7.033 8.015 -3.104) 11.106 3.961 ( 7.206 12.778 -5.046) 15.513 4.281 ( 0.479 4.957 3.504) 6.089 4.362 ( 7.998 11.275 3.003) 14.146 4.458 ( 5.881 4.422 -4.765) 8.766 4.657 ( -5.748 -0.231 4.935) 7.579 4.877 ( -5.336 -8.512 0.117) 10.047 4.989 ( -6.465 -2.010 2.584) 7.247 5.044 ( 1.041 -2.583 5.393) 6.070 5.190 ( -0.529 -5.464 -4.335) 6.995 5.245 ( 7.675 6.648 -3.974) 10.904 5.356 ( 0.827 -3.722 -2.016) 4.313 5.388 ( 2.781 4.536 -1.146) 5.443 5.481 ( -4.458 5.424 -3.020) 7.643 5.528 ( -2.826 -4.328 -2.440) 5.716 5.685 ( -9.600 -6.183 1.054) 11.467 5.810 ( -1.848 -0.175 -0.232) 1.870 5.872 ( -4.374 -0.239 -1.566) 4.652 5.970 ( 4.704 -6.477 -1.439) 8.134 6.143 ( 1.345 -1.298 -6.535) 6.797 6.227 ( -2.839 -2.595 -3.313) 5.076 6.332 ( 0.897 1.344 -3.028) 3.432 6.420 ( -2.717 -0.839 1.851) 3.393 6.555 ( 3.152 4.911 1.472) 6.018 6.647 ( -4.553 4.284 2.306) 6.663 6.833 ( -10.222 4.126 0.102) 11.024 6.910 ( 3.350 2.504 7.795) 8.847 7.051 ( -10.448 -6.030 6.028) 13.485 7.170 ( 3.348 0.625 -1.191) 3.608 7.236 ( -14.165 -4.774 5.988) 16.103 7.307 ( -9.928 -3.487 -3.917) 11.228 7.519 ( -23.015 0.534 -0.162) 23.022 7.890 ( 0.385 2.701 0.405) 2.758 7.987 ( -1.844 11.222 6.711) 13.205 8.145 ( -7.058 8.917 -1.085) 11.424 8.251 ( 4.679 -5.430 0.903) 7.225 8.327 ( -2.391 4.958 4.802) 7.305 8.633 ( -3.020 2.568 -4.742) 6.180 9.081 ( -1.848 -5.777 1.262) 6.195 9.291 ( 14.497 -14.019 0.025) 20.167 9.424 ( 5.769 3.026 0.949) 6.583 9.687 ( -6.088 -0.861 1.218) 6.268 9.977 ( 7.286 5.556 2.176) 9.418 10.015 ( 11.795 7.982 -0.867) 14.268 10.479 ( -4.420 -3.501 1.525) 5.841 10.712 ( -6.071 2.270 -2.934) 7.115 10.780 ( -4.239 -5.365 1.696) 7.045 10.933 ( -3.837 -4.092 -2.137) 6.003 11.478 ( 2.877 3.180 -4.425) 6.162 11.603 ( 7.508 3.171 5.437) 9.798 11.700 ( 3.701 12.889 -0.665) 13.426 11.774 ( 8.600 13.143 -0.210) 15.708 12.766 ( -12.747 -2.627 3.874) 13.580 12.958 ( -9.380 -1.313 -5.141) 10.777 13.222 ( 4.321 -6.790 -0.097) 8.049 13.311 ( 8.795 -11.415 -0.695) 14.427 13.682 ( 0.424 -6.958 -1.635) 7.160 13.749 ( 0.071 -7.475 0.522) 7.494 14.098 ( 9.819 -6.923 1.321) 12.087 14.294 ( 3.014 -8.739 -2.914) 9.693 14.463 ( 7.687 -9.139 1.925) 12.096 14.659 ( 13.658 -6.424 -10.124) 18.175 15.395 ( -6.165 -13.165 1.053) 14.575 15.411 ( -5.776 -15.400 -0.441) 16.453 15.954 ( 8.658 16.876 0.662) 18.979 16.126 ( 10.518 29.313 -11.277) 33.122 17.582 ( -16.598 20.426 -3.611) 26.566 17.611 ( -11.955 18.156 1.998) 21.830 20.247 ( 11.040 -22.348 1.734) 24.987 20.391 ( 13.430 -20.158 0.596) 24.230 21.918 ( -14.502 0.850 0.123) 14.527 22.012 ( -7.395 -0.917 -1.141) 7.539 22.221 ( 4.526 0.738 0.090) 4.587 22.257 ( 0.902 4.448 0.235) 4.545 22.621 ( -1.556 16.081 3.851) 16.609 22.747 ( -0.375 15.972 0.129) 15.977 28.497 ( 4.410 -3.141 -0.107) 5.415 28.508 ( 5.969 -2.122 0.741) 6.378 28.599 ( 4.162 6.621 2.824) 8.315 28.657 ( 5.944 1.705 0.127) 6.185 28.754 ( 3.742 -5.531 -0.516) 6.697 28.880 ( 6.822 6.620 -2.311) 9.783 29.236 ( 8.013 23.620 8.998) 26.516 29.678 ( -10.513 3.328 -2.709) 11.355 29.809 ( -1.061 7.325 -2.608) 7.848 29.952 ( 7.344 21.497 -19.785) 30.125 30.072 ( 0.013 11.935 -7.107) 13.891 30.350 ( 2.931 1.592 -2.933) 4.442 30.916 ( 5.351 -1.609 -0.467) 5.607 30.973 ( 6.537 1.620 -1.779) 6.966 31.304 ( -0.104 -0.133 7.355) 7.357 31.537 ( -1.011 -2.335 -6.367) 6.857 31.560 ( 4.716 -2.976 3.245) 6.452 31.809 ( 8.611 -4.983 -4.144) 10.777 33.431 ( -21.012 -25.838 19.377) 38.531 33.590 ( -16.100 -18.827 -1.721) 24.832 ======================= Grid point 85 (33/84) ======================= q-point: ( 0.33 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 12.316 15.426 14.465) 24.472 1.998 ( 19.481 22.958 11.115) 32.095 2.171 ( 0.681 10.194 -12.014) 15.770 2.453 ( -12.056 9.251 7.097) 16.771 2.491 ( 17.377 9.684 -5.219) 20.566 2.692 ( 12.937 10.050 -2.844) 16.628 2.872 ( 12.175 11.686 -4.079) 17.362 2.999 ( -7.143 15.241 2.598) 17.031 3.387 ( 5.144 -4.777 -1.545) 7.188 3.517 ( 5.363 6.279 -1.990) 8.494 3.735 ( 12.839 -0.917 -3.839) 13.432 3.859 ( 10.841 2.571 3.914) 11.809 3.991 ( 9.552 1.408 -4.039) 10.466 4.103 ( 6.773 4.918 2.113) 8.632 4.316 ( -2.763 0.403 2.677) 3.868 4.416 ( 2.822 -9.801 0.902) 10.239 4.595 ( -1.765 -5.408 4.151) 7.042 4.646 ( 0.268 6.888 -0.524) 6.913 4.710 ( -0.810 2.458 2.085) 3.324 4.864 ( 4.313 -2.887 -5.664) 7.682 5.155 ( -1.236 -6.560 -3.227) 7.414 5.179 ( 0.295 0.994 5.790) 5.882 5.224 ( -7.177 -4.743 -4.390) 9.659 5.283 ( -5.013 2.069 -4.624) 7.126 5.326 ( -2.872 4.176 -0.952) 5.157 5.451 ( 2.068 8.057 -2.226) 8.610 5.541 ( 2.683 -4.747 0.170) 5.456 5.632 ( 5.703 -3.021 1.527) 6.632 5.805 ( 0.387 -0.374 -2.228) 2.292 5.811 ( -1.998 2.148 2.521) 3.868 5.948 ( -8.133 -0.610 -0.607) 8.179 6.060 ( -9.202 -5.886 -3.920) 11.605 6.098 ( -6.198 0.837 -1.823) 6.515 6.279 ( -1.369 -2.656 3.945) 4.949 6.384 ( -6.257 1.787 -0.343) 6.516 6.438 ( -15.323 -8.444 -0.975) 17.523 6.620 ( -7.251 1.408 0.740) 7.423 6.684 ( -9.897 6.247 4.741) 12.627 6.713 ( -7.259 1.243 -1.816) 7.586 6.781 ( 0.022 2.288 4.382) 4.943 7.098 ( -0.860 3.051 -0.868) 3.287 7.194 ( -0.943 -2.124 -1.317) 2.671 7.263 ( -0.972 -1.791 4.373) 4.824 7.354 ( 1.618 4.469 -1.767) 5.071 7.856 ( -1.542 8.807 0.813) 8.978 8.004 ( -0.971 9.553 7.527) 12.201 8.123 ( 3.769 7.995 -3.574) 9.534 8.239 ( -1.117 3.551 -4.232) 5.636 8.316 ( -1.087 6.797 4.284) 8.107 8.550 ( -2.676 1.983 -4.813) 5.853 8.918 ( -8.568 6.626 5.625) 12.205 9.341 ( -13.253 2.213 -1.681) 13.541 9.726 ( 14.688 -8.495 0.499) 16.975 9.759 ( 17.871 -7.982 -0.662) 19.584 10.122 ( 6.172 1.277 1.218) 6.419 10.188 ( 2.072 0.525 -1.480) 2.600 10.364 ( -3.349 -0.898 0.651) 3.528 10.565 ( -4.541 2.417 -1.893) 5.482 10.651 ( -9.751 -0.376 1.372) 9.854 10.775 ( -9.783 -0.467 -2.114) 10.020 11.622 ( 10.371 -0.578 -1.204) 10.457 11.746 ( 5.425 0.857 2.360) 5.978 11.858 ( 9.627 7.342 -1.389) 12.187 11.970 ( 5.151 6.656 1.073) 8.485 12.555 ( -8.880 1.529 4.951) 10.282 12.784 ( -2.886 2.448 -5.394) 6.589 13.205 ( -5.442 -11.488 3.405) 13.160 13.316 ( -4.361 -13.618 -2.363) 14.493 13.785 ( 8.295 -8.290 -1.029) 11.772 13.846 ( 6.479 -10.384 0.473) 12.249 14.257 ( 4.513 -15.046 1.331) 15.765 14.368 ( 2.688 -15.279 -1.082) 15.551 14.662 ( 10.562 2.164 2.285) 11.021 14.813 ( 6.992 -4.768 -4.584) 9.625 15.230 ( -9.742 -12.726 0.743) 16.044 15.254 ( -8.849 -15.282 -0.421) 17.664 16.216 ( 15.897 17.381 1.576) 23.607 16.384 ( 17.553 22.617 -6.670) 29.396 17.194 ( -19.144 15.145 -0.361) 24.413 17.303 ( -17.218 16.048 0.793) 23.550 20.569 ( 17.661 -16.372 1.081) 24.106 20.705 ( 15.756 -14.280 -0.443) 21.269 21.591 ( -16.373 -5.505 0.047) 17.273 21.767 ( -14.395 -2.664 -1.756) 14.744 22.298 ( 2.417 7.589 0.112) 7.966 22.312 ( 4.261 5.659 -0.924) 7.144 22.606 ( -1.956 14.830 3.406) 15.342 22.721 ( -1.576 13.701 -0.540) 13.802 28.537 ( 0.457 -0.844 0.549) 1.105 28.562 ( 1.141 -0.664 -0.989) 1.650 28.706 ( 2.971 -1.210 2.650) 4.161 28.779 ( 2.475 -2.349 0.295) 3.425 28.877 ( 8.641 0.109 2.050) 8.881 29.021 ( 8.531 7.732 -3.691) 12.091 29.431 ( -5.566 6.386 -0.584) 8.491 29.479 ( -1.599 9.704 2.771) 10.218 29.773 ( 1.139 8.392 11.063) 13.932 29.925 ( -5.443 7.013 2.707) 9.281 30.113 ( 7.556 10.333 -17.963) 22.058 30.440 ( 10.054 6.004 -12.137) 16.865 31.028 ( 5.802 -0.703 -2.599) 6.397 31.113 ( 5.108 0.874 1.330) 5.350 31.330 ( -1.218 -0.675 8.589) 8.701 31.486 ( -0.141 -3.033 -4.490) 5.420 31.710 ( 6.950 -4.527 6.631) 10.619 32.026 ( 14.081 -6.030 -3.873) 15.800 33.039 ( -22.985 -13.622 10.130) 28.574 33.180 ( -19.092 -13.792 -6.144) 24.341 ======================= Grid point 86 (34/84) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 4.559 14.112 4.942) 15.632 2.097 ( -5.428 10.387 6.987) 13.644 2.105 ( -0.779 13.498 1.593) 13.614 2.421 ( -3.867 22.453 9.414) 24.652 2.527 ( -5.071 24.030 5.993) 25.280 2.815 ( 6.101 3.875 -4.968) 8.770 3.005 ( 8.212 16.533 -8.552) 20.345 3.077 ( 4.328 18.126 -9.971) 21.135 3.591 ( -5.102 -7.021 1.240) 8.767 3.651 ( -6.789 -13.542 -2.318) 15.325 3.890 ( 6.133 -3.233 4.941) 8.513 3.929 ( -3.252 -0.319 1.138) 3.460 4.021 ( -2.350 1.480 -1.364) 3.094 4.068 ( 5.047 -3.705 0.311) 6.268 4.206 ( -2.407 -1.036 3.219) 4.151 4.372 ( -0.449 -9.539 -5.533) 11.036 4.562 ( -2.318 -1.809 0.654) 3.013 4.661 ( -3.174 -7.639 -2.652) 8.687 4.871 ( 7.298 4.658 3.781) 9.447 4.978 ( -7.583 -0.480 -2.229) 7.918 5.048 ( -5.537 1.299 -0.545) 5.714 5.138 ( 8.200 -1.677 -3.010) 8.895 5.232 ( 0.481 -7.997 -0.433) 8.023 5.304 ( 1.338 12.196 -3.422) 12.737 5.356 ( 5.792 5.362 -0.745) 7.928 5.437 ( -8.480 -5.464 -2.599) 10.417 5.547 ( 9.066 3.448 -1.497) 9.814 5.612 ( 0.302 -0.170 -1.726) 1.760 5.710 ( -2.770 0.404 0.379) 2.825 5.791 ( -1.186 -2.435 -1.150) 2.943 5.871 ( 3.668 1.535 0.030) 3.977 5.895 ( -5.047 2.924 2.453) 6.328 6.072 ( 5.542 -4.951 5.675) 9.350 6.267 ( -0.444 -2.282 -1.587) 2.815 6.282 ( -0.197 1.186 0.846) 1.470 6.330 ( 0.382 -3.407 3.992) 5.262 6.467 ( 3.566 0.230 1.545) 3.893 6.589 ( -1.387 6.492 1.171) 6.741 6.744 ( -0.919 -0.963 3.763) 3.992 6.876 ( 2.368 2.309 3.986) 5.180 7.071 ( -1.833 3.904 -1.290) 4.502 7.174 ( -3.735 -1.941 -2.084) 4.697 7.202 ( 1.033 0.085 -0.717) 1.261 7.332 ( -3.384 5.434 -4.875) 8.046 7.881 ( 1.491 8.299 3.749) 9.228 7.997 ( -2.574 6.438 4.434) 8.230 8.183 ( -2.899 9.415 -4.162) 10.695 8.192 ( 3.084 7.939 -3.592) 9.243 8.314 ( -0.937 10.194 2.943) 10.652 8.500 ( 0.949 1.538 -4.111) 4.490 8.877 ( 1.814 6.144 7.504) 9.867 9.133 ( -1.817 5.012 -3.693) 6.485 9.901 ( -0.579 -6.433 1.144) 6.559 10.001 ( -0.484 -1.305 -2.309) 2.696 10.153 ( 2.097 -9.323 0.769) 9.587 10.202 ( -3.030 -10.229 -1.010) 10.716 10.389 ( 4.110 3.255 0.301) 5.251 10.436 ( -6.167 4.966 0.274) 7.923 10.558 ( 0.495 7.202 0.025) 7.219 10.623 ( 2.654 -2.149 -2.458) 4.208 11.778 ( -2.769 -3.533 1.073) 4.615 11.841 ( 6.374 -1.342 -1.672) 6.725 11.926 ( -5.099 3.460 1.563) 6.357 11.989 ( 2.254 5.876 -0.902) 6.358 12.480 ( -2.053 6.587 4.955) 8.494 12.759 ( 0.736 5.165 -5.990) 7.943 13.124 ( -2.231 -13.245 4.238) 14.085 13.277 ( 3.796 -15.737 -0.888) 16.213 13.898 ( 1.215 -9.594 0.250) 9.674 13.917 ( -0.945 -11.439 -0.428) 11.486 14.306 ( 0.257 -15.521 1.567) 15.602 14.376 ( -0.385 -15.555 -1.104) 15.599 14.824 ( -1.352 6.808 1.603) 7.123 14.930 ( 3.230 3.565 -2.477) 5.411 15.077 ( -1.480 -19.627 1.159) 19.717 15.114 ( 0.279 -19.393 -0.421) 19.400 16.480 ( -0.257 17.928 2.782) 18.144 16.665 ( 5.439 19.346 -4.596) 20.615 16.922 ( 0.916 11.650 1.593) 11.794 17.025 ( -2.658 15.805 -1.704) 16.117 20.826 ( -0.669 -12.323 1.635) 12.449 20.909 ( 0.236 -11.279 -1.496) 11.380 21.381 ( 1.605 -8.303 1.753) 8.637 21.530 ( -1.867 -5.979 -3.871) 7.364 22.324 ( -0.609 9.613 0.562) 9.649 22.374 ( 2.079 9.741 -2.056) 10.170 22.586 ( -1.350 12.132 4.003) 12.846 22.698 ( 0.042 12.995 -1.087) 13.041 28.539 ( -0.307 -0.524 0.398) 0.726 28.572 ( 0.439 0.501 -0.977) 1.182 28.734 ( -1.452 -3.112 2.386) 4.182 28.800 ( 0.221 -4.444 -0.504) 4.478 28.981 ( -2.753 3.601 3.342) 5.631 29.200 ( 11.125 8.162 -5.210) 14.749 29.336 ( -9.977 6.305 0.540) 11.815 29.366 ( 4.115 4.608 -0.990) 6.257 29.745 ( -12.724 7.886 5.152) 15.832 29.962 ( 4.920 9.161 11.844) 15.761 30.155 ( 3.762 3.182 -8.816) 10.100 30.601 ( 11.769 6.405 -17.529) 22.064 31.115 ( 2.159 -0.230 -1.241) 2.501 31.124 ( -2.184 0.488 -1.392) 2.636 31.347 ( -1.266 -0.901 8.022) 8.171 31.503 ( 2.623 -3.224 -1.401) 4.386 31.915 ( 8.122 -6.484 14.448) 17.798 32.228 ( 0.712 -8.251 -1.782) 8.471 32.621 ( -20.800 -7.427 0.027) 22.086 32.920 ( 3.771 -10.317 -7.634) 13.377 ======================= Grid point 87 (35/84) ======================= q-point: (-0.33 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -23.152 11.422 12.894) 28.858 1.947 ( -30.017 19.529 7.626) 36.614 2.184 ( 6.261 7.907 -9.309) 13.725 2.374 ( 10.653 14.523 3.458) 18.340 2.557 ( -9.370 13.854 3.462) 17.080 2.744 ( -29.537 20.345 2.055) 35.925 2.869 ( -5.993 15.736 -8.761) 18.982 3.079 ( 6.812 5.811 -1.397) 9.062 3.217 ( -9.454 -6.626 -2.375) 11.787 3.470 ( 2.944 8.585 -2.273) 9.357 3.778 ( -4.491 2.910 -3.641) 6.473 3.905 ( -14.653 -0.792 0.471) 14.682 4.022 ( -10.487 -8.716 5.379) 14.658 4.084 ( -5.013 0.823 2.307) 5.579 4.293 ( 10.657 -5.589 -1.654) 12.147 4.466 ( -9.154 -4.518 -0.786) 10.239 4.556 ( 0.628 9.151 2.967) 9.640 4.661 ( 5.924 -0.292 1.441) 6.103 4.790 ( 9.999 -0.644 1.525) 10.135 4.866 ( -6.473 -0.340 -2.373) 6.902 4.986 ( -6.778 -0.194 1.779) 7.010 5.062 ( 0.288 5.149 -5.216) 7.335 5.257 ( 1.935 4.564 -2.700) 5.645 5.304 ( 3.639 3.994 -1.848) 5.710 5.333 ( 1.020 -7.356 -1.418) 7.561 5.496 ( 5.249 -1.108 -2.796) 6.050 5.598 ( -4.293 -9.005 -1.008) 10.027 5.630 ( -2.001 -2.266 1.897) 3.569 5.788 ( 1.508 -0.637 2.023) 2.602 5.934 ( 5.155 3.399 -1.806) 6.434 5.951 ( 12.360 -3.437 -1.653) 12.935 6.089 ( 17.532 0.585 -0.157) 17.542 6.237 ( 2.000 -2.563 -2.371) 4.024 6.300 ( 1.148 1.053 0.446) 1.620 6.339 ( 3.858 -0.319 -1.757) 4.252 6.416 ( 2.707 -0.585 3.588) 4.532 6.542 ( 12.831 -2.054 -1.136) 13.044 6.637 ( 6.364 4.041 3.928) 8.501 6.777 ( -1.607 2.285 2.720) 3.899 6.917 ( 0.363 1.766 1.359) 2.258 6.961 ( 0.517 -0.017 0.115) 0.530 7.167 ( 0.306 2.754 -0.981) 2.939 7.249 ( 1.044 4.406 -1.254) 4.698 7.277 ( 3.908 -4.472 3.793) 7.047 7.895 ( -1.821 7.126 4.470) 8.607 7.973 ( -1.584 6.482 3.312) 7.449 8.082 ( -0.792 7.104 -5.819) 9.217 8.221 ( 0.376 9.315 -0.883) 9.364 8.328 ( 0.997 8.794 3.488) 9.512 8.551 ( 4.374 0.395 -3.920) 5.887 9.072 ( 12.041 6.079 9.260) 16.361 9.202 ( 8.637 3.477 -6.183) 11.176 9.711 ( -16.549 -8.714 0.497) 18.709 9.754 ( -17.655 -6.698 -0.498) 18.890 10.079 ( -5.543 0.881 0.825) 5.673 10.157 ( -5.507 3.827 -1.330) 6.837 10.375 ( 5.604 -1.439 0.731) 5.832 10.563 ( 4.528 1.834 -1.838) 5.220 10.653 ( 10.353 0.470 0.739) 10.390 10.792 ( 9.543 -1.669 -1.686) 9.833 11.617 ( -10.258 -2.357 -0.781) 10.554 11.748 ( -6.777 5.259 2.102) 8.832 11.882 ( -7.369 5.675 -1.926) 9.499 11.983 ( -5.075 5.069 1.580) 7.345 12.514 ( 5.615 2.289 3.784) 7.148 12.792 ( 7.017 1.764 -4.138) 8.335 13.183 ( 5.054 -11.082 2.363) 12.408 13.403 ( 4.970 -15.699 -1.284) 16.517 13.798 ( -8.840 -10.871 -1.335) 14.075 13.840 ( -5.473 -8.195 0.759) 9.884 14.280 ( -4.764 -15.120 2.264) 16.013 14.348 ( -2.136 -15.247 -1.996) 15.525 14.648 ( -11.648 -0.351 1.605) 11.763 14.863 ( -3.795 -3.235 -4.113) 6.464 15.210 ( 8.920 -15.124 0.633) 17.570 15.260 ( 9.100 -13.849 -0.187) 16.572 16.237 ( -16.299 16.885 1.531) 23.518 16.463 ( -12.866 21.391 -7.469) 26.056 17.220 ( 17.802 15.000 -0.058) 23.279 17.284 ( 20.631 16.228 0.192) 26.249 20.581 ( -16.971 -14.876 1.452) 22.615 20.680 ( -17.429 -14.332 -0.685) 22.575 21.637 ( 16.469 -2.760 2.138) 16.835 21.696 ( 14.911 -4.518 -3.723) 16.019 22.284 ( -2.811 6.377 0.017) 6.969 22.362 ( -2.310 7.610 -1.610) 8.114 22.604 ( 0.727 10.945 4.541) 11.872 22.711 ( 1.421 15.373 -0.948) 15.467 28.529 ( -0.914 -1.469 0.304) 1.756 28.570 ( -0.257 0.596 -0.840) 1.061 28.669 ( -5.684 1.064 2.475) 6.290 28.787 ( -1.777 -5.126 0.212) 5.430 28.882 ( -6.053 0.737 1.471) 6.273 29.084 ( -12.063 6.584 -2.977) 14.062 29.416 ( 0.180 12.293 2.970) 12.648 29.457 ( -3.559 9.193 -0.182) 9.860 29.554 ( 8.418 4.856 1.138) 9.785 30.082 ( 2.125 5.318 7.973) 9.816 30.193 ( 3.766 1.863 -5.861) 7.212 30.698 ( 6.767 7.694 -22.167) 24.420 30.999 ( -6.336 -1.280 -1.497) 6.635 31.173 ( 1.853 0.681 1.270) 2.347 31.349 ( -1.995 -0.630 3.389) 3.983 31.550 ( 2.639 -2.285 -2.355) 4.211 32.013 ( -15.120 -7.246 -8.895) 18.980 32.075 ( -12.767 -4.983 -8.809) 16.292 32.325 ( 5.654 -8.183 29.789) 31.405 33.225 ( 21.367 -12.600 -1.792) 24.870 ======================= Grid point 88 (36/84) ======================= q-point: (-0.17 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -21.206 14.287 22.216) 33.873 1.268 ( -34.100 15.269 12.206) 39.306 1.941 ( -33.579 33.747 13.333) 49.438 2.005 ( -21.474 12.173 -6.439) 25.510 2.282 ( -5.924 13.974 -16.650) 22.529 2.629 ( 5.142 15.572 -2.904) 16.654 2.964 ( 9.710 9.289 7.277) 15.282 3.199 ( 8.344 1.262 -9.372) 12.611 3.262 ( 2.259 4.421 5.135) 7.143 3.459 ( -1.239 7.697 -4.110) 8.813 3.571 ( -10.182 -2.448 1.010) 10.521 3.765 ( -13.229 -2.419 1.757) 13.563 3.824 ( 6.611 2.826 -2.148) 7.503 3.983 ( -1.887 14.108 -4.799) 15.021 4.208 ( -10.567 3.293 -7.197) 13.202 4.507 ( 6.310 -5.475 5.564) 10.037 4.555 ( -7.369 10.910 9.346) 16.145 4.624 ( -3.574 8.613 -3.100) 9.827 4.795 ( -0.502 -4.952 -0.735) 5.032 4.900 ( 3.251 -1.103 -0.652) 3.494 5.037 ( 3.188 5.903 -0.801) 6.757 5.122 ( 3.745 -0.069 4.360) 5.748 5.281 ( 2.969 2.238 -6.794) 7.745 5.344 ( 1.145 -10.897 0.813) 10.987 5.365 ( -1.902 -9.096 -2.684) 9.672 5.499 ( 2.184 -3.742 -1.623) 4.627 5.566 ( 0.236 2.966 -4.659) 5.528 5.652 ( 5.337 -2.574 -1.602) 6.138 5.825 ( -0.213 1.667 1.525) 2.269 5.988 ( -2.083 -0.345 -2.848) 3.545 6.056 ( 1.850 -3.989 0.084) 4.398 6.155 ( 1.990 -0.274 -8.279) 8.519 6.248 ( 1.964 -0.180 -6.642) 6.928 6.344 ( 0.343 3.364 -0.479) 3.415 6.474 ( 6.937 1.553 5.457) 8.962 6.565 ( -1.768 3.178 0.409) 3.659 6.672 ( 1.498 6.018 -0.867) 6.262 6.741 ( 6.211 -1.562 3.692) 7.392 6.877 ( 4.290 3.664 6.770) 8.812 6.933 ( 6.940 -0.097 7.240) 10.030 7.071 ( -0.623 4.512 -2.872) 5.385 7.259 ( 7.184 -3.798 -5.487) 9.806 7.423 ( 10.685 -13.623 9.190) 19.601 7.451 ( 22.826 -5.619 2.142) 23.605 7.875 ( -2.855 7.583 2.601) 8.510 7.953 ( -2.885 -0.507 5.081) 5.865 8.117 ( 4.820 3.117 -1.418) 5.913 8.238 ( 2.085 11.027 0.432) 11.231 8.379 ( 0.928 6.822 5.356) 8.723 8.603 ( 3.486 -0.100 -4.316) 5.549 9.192 ( -13.056 -11.088 0.546) 17.138 9.285 ( -10.736 -14.459 -0.486) 18.016 9.489 ( 6.384 7.708 -3.258) 10.526 9.512 ( 6.073 7.114 6.694) 11.502 9.938 ( -10.435 5.667 1.708) 11.996 10.045 ( -5.724 6.815 0.200) 8.902 10.460 ( 1.069 -1.085 0.767) 1.705 10.689 ( 7.259 0.139 -2.187) 7.583 10.807 ( 3.975 -3.583 1.627) 5.593 10.921 ( 3.620 -4.631 -2.460) 6.372 11.410 ( -7.312 -0.817 -0.998) 7.425 11.685 ( -3.517 10.534 1.306) 11.183 11.729 ( -1.295 13.922 0.000) 13.982 11.795 ( -9.725 6.882 -0.370) 11.920 12.736 ( 12.144 -2.710 2.915) 12.780 12.976 ( 10.218 -0.726 -4.204) 11.073 13.239 ( -4.412 -9.400 0.142) 10.385 13.317 ( -11.230 -10.634 -1.180) 15.511 13.659 ( -0.885 -8.260 -1.153) 8.387 13.772 ( -0.864 -7.188 -0.039) 7.240 14.127 ( -10.681 -6.496 2.325) 12.716 14.277 ( -1.812 -8.029 -3.902) 9.109 14.442 ( -8.001 -10.923 0.868) 13.568 14.708 ( -9.952 -7.085 -10.651) 16.207 15.372 ( 6.093 -14.940 1.044) 16.169 15.415 ( 5.698 -13.815 -0.147) 14.945 15.961 ( -9.926 17.295 0.431) 19.946 16.207 ( -5.665 26.949 -14.195) 30.981 17.544 ( 13.207 17.927 -0.551) 22.273 17.692 ( 17.210 21.028 -2.679) 27.305 20.279 ( -11.384 -20.704 1.234) 23.659 20.341 ( -13.914 -20.658 1.769) 24.969 21.955 ( 12.209 2.083 1.575) 12.485 21.982 ( 13.216 -0.271 -2.494) 13.452 22.233 ( -2.225 3.578 0.662) 4.265 22.273 ( -5.183 0.476 -1.385) 5.386 22.646 ( 0.665 11.157 5.022) 12.253 22.732 ( 0.585 17.068 -0.238) 17.080 28.492 ( -3.702 -3.762 0.138) 5.280 28.531 ( -5.578 -3.132 -0.069) 6.398 28.568 ( -3.766 5.869 2.529) 7.418 28.683 ( -7.682 0.591 0.937) 7.761 28.771 ( -4.455 -1.458 0.195) 4.691 28.863 ( -6.427 5.966 -2.934) 9.247 29.201 ( -8.684 21.270 6.895) 23.987 29.667 ( 11.206 4.367 -3.019) 12.400 29.713 ( 6.187 7.821 -3.710) 10.640 30.137 ( -0.521 4.365 5.737) 7.228 30.250 ( 4.332 0.743 -4.569) 6.340 30.587 ( -6.016 18.432 -39.475) 43.980 30.886 ( -3.180 -0.573 -1.920) 3.758 31.170 ( -14.603 7.877 -21.200) 26.921 31.217 ( -1.088 -2.275 6.018) 6.525 31.531 ( -11.052 -1.536 3.307) 11.638 31.588 ( -0.279 -0.959 -3.926) 4.051 31.827 ( -7.241 -5.745 -4.091) 10.109 32.901 ( 25.507 -24.175 44.880) 57.002 33.614 ( 14.731 -16.835 0.909) 22.389 ======================= Grid point 89 (37/84) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -0.766 23.191 17.394) 29.000 1.764 ( 5.631 35.754 10.504) 37.688 2.251 ( -3.791 31.376 7.296) 32.436 2.306 ( 0.696 8.003 -18.148) 19.846 2.446 ( 10.186 30.932 -4.271) 32.845 2.719 ( -5.874 7.868 0.305) 9.824 3.301 ( -1.570 12.905 2.860) 13.311 3.344 ( -5.317 1.615 8.128) 9.846 3.438 ( -6.210 12.144 5.556) 14.728 3.611 ( 4.808 2.721 -8.609) 10.230 3.635 ( -1.114 14.742 1.257) 14.837 3.873 ( 5.942 10.980 -7.193) 14.409 3.968 ( -6.904 11.559 -4.137) 14.086 4.055 ( 6.286 1.563 -6.688) 9.311 4.304 ( -14.230 5.301 4.857) 15.943 4.378 ( 10.733 -0.437 -5.395) 12.020 4.604 ( 0.638 -3.743 3.037) 4.862 4.669 ( -1.279 4.364 0.484) 4.574 4.843 ( 7.960 -1.018 1.321) 8.132 4.885 ( -5.504 -5.146 -2.455) 7.925 5.016 ( -0.216 -4.034 4.659) 6.166 5.027 ( 2.404 -7.177 4.381) 8.745 5.216 ( -4.529 1.403 1.515) 4.977 5.273 ( 3.965 0.703 -1.107) 4.177 5.419 ( 0.678 -6.652 3.006) 7.331 5.463 ( 7.257 -3.200 3.384) 8.623 5.610 ( -3.241 -5.458 -0.267) 6.353 5.715 ( 2.812 5.095 -2.274) 6.247 5.836 ( -4.315 1.865 -4.458) 6.479 5.875 ( -6.019 -1.976 -9.843) 11.706 5.903 ( -0.439 -0.586 -5.435) 5.484 6.152 ( 0.738 1.359 -9.563) 9.687 6.295 ( 6.286 -0.625 -4.669) 7.855 6.353 ( -3.719 3.150 -7.101) 8.613 6.505 ( -1.383 0.305 1.595) 2.133 6.675 ( -5.044 1.921 -1.157) 5.520 6.763 ( 1.802 -0.695 5.336) 5.674 6.903 ( 0.398 5.341 7.177) 8.955 6.992 ( 1.205 6.650 5.009) 8.412 7.072 ( -1.397 1.223 -0.175) 1.865 7.145 ( 2.203 -5.083 1.548) 5.752 7.285 ( -1.649 15.628 -2.864) 15.974 7.558 ( 1.824 -8.663 5.759) 10.561 7.676 ( 10.353 0.377 2.024) 10.555 7.826 ( -7.971 -3.094 2.959) 9.048 7.904 ( 5.770 5.782 -2.399) 8.514 8.291 ( -2.914 9.632 6.075) 11.754 8.427 ( -2.243 6.718 1.464) 7.233 8.548 ( -12.418 -8.377 1.216) 15.028 8.607 ( 8.178 0.578 1.761) 8.386 8.716 ( 7.183 -16.011 -2.129) 17.677 8.736 ( -2.859 1.960 -1.291) 3.699 9.735 ( -3.741 7.253 2.219) 8.457 9.869 ( -3.004 4.158 -3.199) 6.046 10.039 ( 4.583 15.513 4.802) 16.873 10.169 ( -1.593 19.358 -0.683) 19.435 10.544 ( -0.542 5.473 0.782) 5.555 10.669 ( 0.007 -3.163 -1.993) 3.738 10.789 ( -2.825 -3.312 -2.114) 4.839 10.833 ( 5.091 -3.575 -1.597) 6.422 11.454 ( 5.022 1.767 3.606) 6.430 11.620 ( -5.915 -0.143 -2.544) 6.441 12.046 ( 1.649 17.692 0.098) 17.769 12.076 ( -1.541 17.327 -1.057) 17.428 12.825 ( -0.337 -4.982 5.001) 7.067 12.938 ( 2.507 -5.818 2.624) 6.857 13.034 ( -0.345 -7.032 -1.547) 7.208 13.139 ( -2.391 -2.574 -6.338) 7.246 13.478 ( 0.700 -16.816 0.996) 16.860 13.513 ( 0.534 -15.924 -0.398) 15.938 13.909 ( -13.600 -13.393 2.662) 19.272 13.936 ( 13.179 -16.953 3.137) 21.701 14.054 ( 0.000 -22.274 -1.903) 22.355 14.176 ( 0.739 -15.689 -6.605) 17.038 15.056 ( 0.737 -21.867 0.473) 21.884 15.075 ( -0.522 -22.348 -0.308) 22.356 16.375 ( -0.994 30.742 2.563) 30.865 16.740 ( 2.987 31.262 -14.359) 34.531 18.263 ( 1.776 32.283 1.264) 32.357 18.403 ( -1.833 30.304 -5.935) 30.934 19.608 ( -3.364 -26.144 1.846) 26.424 19.654 ( 3.242 -26.047 0.251) 26.249 21.962 ( -1.540 -11.269 0.690) 11.395 21.986 ( 0.258 -11.550 -0.179) 11.554 22.310 ( -0.997 9.633 0.574) 9.702 22.372 ( 0.854 9.374 -1.540) 9.538 22.988 ( 0.061 15.713 4.736) 16.412 23.109 ( -0.228 16.096 -0.903) 16.123 28.386 ( 0.638 -0.482 0.306) 0.856 28.400 ( -0.679 -0.688 -0.237) 0.995 28.623 ( 0.886 -0.776 0.170) 1.189 28.654 ( -0.508 -1.058 -0.907) 1.483 28.815 ( -2.077 13.758 4.746) 14.701 29.055 ( 1.654 15.896 -5.486) 16.897 29.651 ( -0.895 24.007 10.859) 26.364 29.904 ( -0.924 5.855 -1.808) 6.197 29.950 ( 3.378 8.236 0.284) 8.906 30.226 ( -3.065 5.954 3.031) 7.351 30.288 ( 1.865 -1.932 -0.757) 2.790 30.689 ( -3.252 15.589 -21.657) 26.882 30.880 ( -2.926 1.218 -9.192) 9.723 30.946 ( 1.291 2.705 -3.331) 4.481 31.304 ( -0.970 4.336 -1.380) 4.652 31.422 ( 0.921 -2.837 1.587) 3.379 31.526 ( -0.024 -3.297 -5.388) 6.317 31.605 ( 0.574 -7.115 -2.252) 7.485 32.792 ( 5.680 -28.564 27.996) 40.398 33.257 ( -1.431 -28.211 -1.685) 28.297 ======================= Grid point 90 (38/84) ======================= q-point: ( 0.17 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 7.523 23.130 11.776) 27.024 1.775 ( 9.160 15.615 9.999) 20.681 2.220 ( 6.219 13.725 -11.368) 18.875 2.382 ( 1.680 2.890 -17.093) 17.417 2.769 ( 24.935 33.798 12.856) 43.924 3.090 ( -4.165 13.336 -1.641) 14.067 3.113 ( 4.004 22.245 2.438) 22.733 3.269 ( -0.983 3.873 -0.100) 3.997 3.391 ( 1.889 7.017 3.299) 7.981 3.527 ( -7.376 6.324 3.754) 10.416 3.634 ( 7.349 1.311 2.907) 8.011 3.860 ( -0.215 14.938 -3.896) 15.439 3.973 ( 3.483 10.335 -4.984) 11.991 4.160 ( -0.267 6.141 -0.012) 6.147 4.187 ( 6.296 0.410 -3.044) 7.006 4.482 ( -4.419 -9.712 5.785) 12.137 4.593 ( 0.199 5.595 -2.253) 6.035 4.709 ( 5.581 3.167 -1.926) 6.700 4.818 ( 0.850 -1.694 -0.690) 2.017 4.932 ( -7.134 1.939 1.210) 7.491 5.052 ( 2.378 -5.963 2.509) 6.892 5.095 ( -0.417 6.354 -0.110) 6.369 5.173 ( -0.530 -4.700 -3.061) 5.634 5.310 ( 1.222 -6.655 0.364) 6.776 5.399 ( 0.659 2.361 -0.251) 2.464 5.464 ( -10.308 -10.678 2.972) 15.137 5.500 ( -2.124 -2.118 1.429) 3.323 5.676 ( -1.504 4.534 -6.886) 8.380 5.777 ( 2.043 -1.923 -1.378) 3.127 5.847 ( -1.290 0.399 -5.890) 6.043 5.882 ( 5.073 -1.059 2.228) 5.641 6.111 ( -0.779 -1.887 -7.790) 8.053 6.231 ( -5.331 1.511 -5.508) 7.813 6.315 ( -4.153 -0.025 -2.500) 4.847 6.447 ( 0.975 1.158 3.834) 4.122 6.612 ( -7.055 -2.000 0.954) 7.394 6.745 ( -5.056 4.946 6.485) 9.596 6.842 ( -12.801 -0.895 -2.050) 12.995 6.966 ( -6.948 4.913 0.367) 8.518 7.041 ( 1.527 -4.452 0.128) 4.708 7.143 ( 2.195 7.353 4.918) 9.114 7.228 ( -6.556 3.533 2.947) 8.010 7.335 ( -8.643 5.207 -1.656) 10.225 7.546 ( -10.303 3.781 -2.392) 11.233 8.032 ( 7.299 12.035 0.763) 14.097 8.158 ( 10.590 0.290 2.075) 10.795 8.251 ( -1.630 10.884 5.780) 12.431 8.314 ( -2.183 4.072 -0.635) 4.664 8.473 ( 0.446 7.981 1.672) 8.166 8.637 ( -2.334 -3.519 -1.973) 4.661 8.876 ( 13.880 -9.449 -1.037) 16.823 8.999 ( 17.135 -11.081 0.009) 20.406 9.587 ( -6.687 10.499 2.397) 12.676 9.757 ( -7.472 6.439 1.941) 10.053 10.110 ( 0.696 7.861 2.375) 8.242 10.242 ( 4.645 13.418 -1.189) 14.249 10.450 ( -5.283 1.232 0.071) 5.425 10.687 ( -5.041 -3.467 -0.357) 6.128 10.732 ( 1.879 -0.071 -2.069) 2.796 10.887 ( 0.177 0.794 -1.858) 2.029 11.491 ( 1.049 -1.687 -2.227) 2.984 11.676 ( 7.093 2.823 2.559) 8.052 12.002 ( -2.550 14.574 -0.730) 14.813 12.059 ( 0.172 12.654 0.453) 12.663 12.699 ( -9.003 -3.222 5.097) 10.836 12.887 ( -7.470 -5.178 -3.240) 9.649 13.105 ( 0.471 -5.005 -2.605) 5.662 13.129 ( 3.222 -7.859 1.596) 8.643 13.449 ( 1.213 -14.499 -0.226) 14.552 13.531 ( -0.361 -13.001 -1.014) 13.045 13.775 ( 0.077 -21.939 2.007) 22.031 13.930 ( -2.095 -23.326 -1.807) 23.489 14.257 ( 14.257 -13.500 2.884) 19.845 14.369 ( 10.446 -19.198 -4.395) 22.293 15.024 ( -3.706 -20.369 -0.741) 20.717 15.046 ( -2.123 -19.332 0.731) 19.462 16.455 ( 7.436 29.785 2.525) 30.803 16.783 ( 7.842 31.683 -11.647) 34.655 18.073 ( -21.070 25.505 -0.544) 33.087 18.098 ( -17.545 26.443 -1.137) 31.754 19.810 ( 19.371 -17.978 0.655) 26.436 19.951 ( 21.314 -19.312 -0.206) 28.763 21.866 ( -11.294 -7.258 -1.126) 13.472 21.931 ( -7.420 -8.047 1.317) 11.025 22.265 ( 1.806 6.029 0.185) 6.297 22.383 ( 1.614 7.297 -0.319) 7.480 22.977 ( -3.036 15.794 3.975) 16.567 23.072 ( -3.051 13.502 -1.176) 13.892 28.441 ( 3.862 -2.160 -0.483) 4.451 28.457 ( 4.427 -2.192 0.581) 4.974 28.644 ( 0.647 -1.258 0.179) 1.426 28.662 ( 1.795 -3.410 -0.810) 3.938 28.856 ( 4.201 14.579 4.523) 15.832 29.114 ( 6.384 14.703 -5.268) 16.872 29.723 ( 1.228 20.180 8.239) 21.832 29.775 ( -8.491 6.242 -1.960) 10.719 29.959 ( -3.341 8.818 6.556) 11.485 30.188 ( -1.668 11.307 2.373) 11.673 30.298 ( -0.840 0.280 -2.398) 2.556 30.564 ( 5.011 16.053 -23.884) 29.210 30.884 ( 4.711 -1.183 0.705) 4.909 31.023 ( 6.406 3.340 -4.121) 8.317 31.299 ( -1.419 -0.506 6.466) 6.639 31.476 ( -0.060 -2.901 -5.084) 5.854 31.487 ( 2.763 -3.845 -1.318) 4.915 31.675 ( 7.247 -7.468 -2.100) 10.616 32.886 ( -7.991 -25.033 18.392) 32.074 33.100 ( -11.331 -26.738 -4.263) 29.351 ======================= Grid point 91 (39/84) ======================= q-point: ( 0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 13.716 22.071 8.460) 27.328 2.278 ( 26.967 1.585 2.040) 27.090 2.408 ( 12.651 7.982 -9.125) 17.522 2.538 ( 24.544 -1.496 -7.283) 25.646 2.658 ( -16.405 11.446 2.005) 20.104 3.006 ( -7.995 12.979 1.158) 15.288 3.172 ( -0.554 22.699 -2.392) 22.831 3.215 ( -2.448 4.623 0.786) 5.290 3.419 ( -5.953 9.334 6.580) 12.879 3.638 ( 3.114 0.059 4.399) 5.390 3.870 ( 7.889 5.703 0.422) 9.743 3.990 ( -1.499 -5.708 -1.134) 6.009 4.049 ( 11.858 3.039 -1.156) 12.296 4.182 ( 6.268 19.696 -0.447) 20.674 4.220 ( -2.790 -3.628 2.323) 5.132 4.413 ( -10.720 2.477 2.028) 11.188 4.531 ( -0.087 -2.631 -1.215) 2.899 4.642 ( -0.949 3.343 -0.430) 3.502 4.740 ( -6.516 -5.221 0.890) 8.397 4.909 ( -3.608 -2.889 -2.424) 5.219 5.002 ( -3.696 -3.979 2.018) 5.794 5.075 ( 6.398 3.108 0.589) 7.137 5.205 ( 7.334 -0.173 -1.166) 7.428 5.295 ( -3.711 -1.800 -6.606) 7.788 5.406 ( 3.424 5.026 -0.211) 6.085 5.423 ( 3.561 -4.598 -2.031) 6.160 5.562 ( 4.920 0.198 1.637) 5.189 5.699 ( 2.182 7.125 -4.380) 8.644 5.770 ( -1.896 -1.315 -0.657) 2.399 5.839 ( 0.253 -1.751 2.372) 2.959 5.929 ( -5.787 -1.783 -0.921) 6.125 6.026 ( -8.053 3.876 -2.978) 9.421 6.094 ( 1.094 -1.715 -1.849) 2.749 6.238 ( -3.440 1.056 4.914) 6.091 6.309 ( -8.470 -3.321 -0.713) 9.126 6.460 ( -5.273 5.476 3.015) 8.178 6.555 ( -15.696 -4.244 0.789) 16.279 6.754 ( -1.342 2.366 -0.151) 2.724 6.860 ( -3.686 7.604 1.833) 8.647 6.879 ( -10.641 7.734 -2.142) 13.327 7.078 ( 1.234 -2.674 -2.371) 3.781 7.200 ( 0.884 3.725 0.411) 3.851 7.326 ( 0.875 6.016 3.400) 6.965 7.485 ( 1.297 8.073 -3.872) 9.046 8.061 ( -1.254 10.076 2.023) 10.353 8.228 ( -1.698 12.205 5.666) 13.563 8.300 ( 4.940 8.747 -3.870) 10.766 8.415 ( 7.195 12.978 0.215) 14.840 8.498 ( 0.957 8.993 1.025) 9.102 8.591 ( -1.512 2.522 -2.730) 4.013 9.025 ( -0.297 0.799 2.843) 2.968 9.341 ( 7.548 -5.262 0.056) 9.202 9.611 ( 2.182 0.868 2.734) 3.604 9.650 ( 10.510 0.136 -1.295) 10.590 10.075 ( -5.318 -2.050 0.683) 5.740 10.232 ( -5.724 4.273 -0.965) 7.208 10.421 ( 1.459 4.451 2.822) 5.469 10.544 ( -5.491 -0.477 -2.014) 5.868 10.716 ( -4.034 2.802 0.177) 4.915 10.817 ( -5.015 5.955 -2.918) 8.315 11.583 ( 7.556 -3.990 -1.284) 8.641 11.744 ( -0.096 -1.123 1.363) 1.769 12.027 ( 4.227 6.671 -0.957) 7.955 12.058 ( -2.461 0.111 1.276) 2.774 12.615 ( -1.200 4.305 3.582) 5.727 12.775 ( 0.760 -4.497 -1.198) 4.716 13.017 ( -7.011 -4.977 -3.161) 9.160 13.066 ( -8.057 -9.288 1.795) 12.426 13.549 ( 6.363 -13.607 -0.427) 15.028 13.587 ( 5.464 -13.897 -0.988) 14.965 13.840 ( 3.023 -24.710 1.877) 24.964 13.938 ( 1.625 -25.303 -0.868) 25.370 14.488 ( 4.097 -23.930 -0.827) 24.292 14.513 ( 8.942 -17.997 0.677) 20.107 14.927 ( -4.710 -12.335 -0.841) 13.231 14.989 ( -3.589 -11.842 0.673) 12.393 16.694 ( 13.985 27.236 2.858) 30.750 16.943 ( 12.338 29.047 -7.275) 32.386 17.600 ( -22.397 22.362 0.324) 31.651 17.720 ( -18.143 22.383 -0.795) 28.824 20.276 ( 23.147 -10.562 1.003) 25.463 20.408 ( 21.939 -11.819 -0.953) 24.939 21.511 ( -19.654 -2.668 0.031) 19.834 21.676 ( -16.839 -5.882 0.490) 17.844 22.391 ( 8.480 3.253 -1.254) 9.169 22.466 ( 5.457 6.495 0.106) 8.484 22.909 ( -5.351 12.576 3.360) 14.074 22.982 ( -4.394 9.904 -1.419) 10.928 28.509 ( 2.141 -2.006 0.225) 2.943 28.526 ( 2.413 -2.341 -0.486) 3.397 28.656 ( 0.048 -2.793 1.037) 2.980 28.691 ( 1.330 -5.168 -0.788) 5.394 29.017 ( 7.498 11.394 5.069) 14.551 29.245 ( 8.804 13.260 -5.570) 16.863 29.577 ( -7.825 8.703 -1.861) 11.850 29.702 ( -6.361 11.338 0.167) 13.001 29.958 ( -1.643 8.054 9.206) 12.342 30.191 ( -0.149 16.566 7.174) 18.053 30.248 ( -1.652 3.536 -4.172) 5.713 30.619 ( 8.971 9.034 -15.522) 20.076 31.018 ( 6.795 0.158 -1.045) 6.877 31.141 ( 5.109 1.531 -0.691) 5.378 31.306 ( -1.307 -1.912 6.806) 7.189 31.407 ( -1.439 -3.895 -4.705) 6.275 31.597 ( 5.472 -5.614 3.483) 8.579 31.862 ( 11.303 -9.298 -1.606) 14.724 32.689 ( -15.116 -19.417 4.287) 24.978 32.823 ( -12.587 -19.178 -2.385) 23.063 ======================= Grid point 92 (40/84) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -2.750 21.017 4.604) 21.690 2.363 ( 1.313 14.990 8.037) 17.059 2.470 ( 3.235 19.401 -7.066) 20.900 2.790 ( -6.483 7.411 4.737) 10.927 2.877 ( 0.324 0.621 -7.545) 7.577 3.079 ( -4.987 17.567 0.845) 18.281 3.122 ( 25.721 -0.537 -2.205) 25.821 3.219 ( -7.348 -0.352 0.048) 7.357 3.352 ( -10.988 -14.441 3.521) 18.485 3.498 ( 15.617 -6.867 -5.500) 17.925 3.766 ( -9.161 -5.409 6.147) 12.287 3.937 ( -4.043 6.164 1.905) 7.614 4.085 ( -1.403 -0.236 2.440) 2.824 4.160 ( -3.690 1.127 -4.764) 6.130 4.219 ( -3.157 1.732 -0.956) 3.726 4.369 ( 2.306 12.129 -1.845) 12.483 4.549 ( -1.178 3.962 0.717) 4.196 4.622 ( 0.740 6.739 -0.319) 6.787 4.809 ( 2.556 -6.037 8.987) 11.124 4.882 ( -0.673 -6.547 2.207) 6.941 4.978 ( -1.329 -8.205 -3.407) 8.983 5.213 ( 0.743 6.636 -6.998) 9.673 5.216 ( 4.443 4.602 -0.355) 6.406 5.290 ( -5.458 -3.999 -0.746) 6.807 5.441 ( 2.720 2.354 -2.547) 4.408 5.511 ( 7.342 0.729 -2.683) 7.851 5.588 ( 1.400 2.541 -1.228) 3.150 5.661 ( 0.330 6.400 -3.702) 7.401 5.742 ( -0.309 5.769 -0.522) 5.801 5.781 ( -2.232 1.223 -0.586) 2.612 5.912 ( -3.067 2.392 -3.929) 5.528 5.947 ( 0.527 1.231 6.319) 6.460 6.036 ( -2.297 1.271 -2.508) 3.630 6.195 ( -1.534 -4.458 3.365) 5.792 6.282 ( 3.424 2.149 1.529) 4.322 6.368 ( -1.457 6.372 3.615) 7.470 6.440 ( 8.596 -2.326 4.717) 10.077 6.720 ( 0.404 5.548 0.737) 5.611 6.782 ( -2.914 4.437 1.389) 5.487 6.934 ( 4.639 4.725 3.357) 7.424 7.089 ( 0.696 -1.295 -1.870) 2.378 7.162 ( -4.713 1.879 -5.315) 7.348 7.277 ( -3.516 5.919 -0.194) 6.887 7.466 ( -1.343 7.224 -5.334) 9.080 8.067 ( -0.619 9.181 4.560) 10.269 8.214 ( -1.421 12.581 3.494) 13.134 8.388 ( 4.391 10.407 -2.775) 11.631 8.458 ( -2.513 14.698 -3.371) 15.288 8.517 ( -2.489 7.684 1.323) 8.185 8.560 ( 1.253 6.980 -2.007) 7.370 9.042 ( 2.766 8.386 6.258) 10.823 9.270 ( -2.617 7.221 -3.214) 8.326 9.805 ( -1.424 -1.238 4.489) 4.869 9.933 ( 4.716 -10.031 0.388) 11.091 9.956 ( 0.094 -11.108 -0.617) 11.126 10.024 ( -3.055 3.688 -3.222) 5.772 10.420 ( -2.364 0.149 3.313) 4.073 10.563 ( 3.883 6.752 0.644) 7.815 10.611 ( -2.098 1.692 -1.338) 3.010 10.732 ( 0.481 9.017 -4.339) 10.019 11.679 ( -1.946 -6.503 1.738) 7.007 11.786 ( 6.456 -4.544 -3.030) 8.456 11.962 ( -5.597 -1.520 4.127) 7.118 12.098 ( 1.737 3.492 -1.799) 4.295 12.638 ( -0.590 6.280 2.097) 6.647 12.823 ( -4.327 -3.095 -6.006) 8.023 12.857 ( -0.630 -9.720 4.474) 10.719 13.001 ( 5.324 -5.555 0.430) 7.706 13.621 ( -0.651 -14.967 0.228) 14.983 13.659 ( 1.080 -13.946 -1.472) 14.065 13.878 ( -0.196 -25.476 1.893) 25.547 13.949 ( -0.145 -25.352 -0.979) 25.371 14.544 ( 1.138 -28.221 0.989) 28.261 14.602 ( -1.551 -27.096 -1.208) 27.167 14.885 ( 2.241 -2.453 1.052) 3.485 14.927 ( -1.722 -5.368 -0.505) 5.660 16.944 ( -0.396 25.324 3.103) 25.517 17.150 ( 3.316 25.633 -4.987) 26.323 17.279 ( 0.980 21.666 2.476) 21.829 17.442 ( -1.764 22.760 -3.368) 23.076 20.599 ( -0.319 -8.073 1.811) 8.280 20.696 ( 0.216 -7.695 -1.883) 7.925 21.264 ( 3.483 -2.950 2.670) 5.288 21.395 ( -3.448 -6.522 -2.225) 7.706 22.501 ( -0.689 6.262 0.064) 6.300 22.554 ( 3.215 7.006 -2.572) 8.127 22.813 ( -4.408 8.448 4.077) 10.364 22.934 ( 1.708 8.311 -1.294) 8.583 28.522 ( -0.742 -1.273 0.446) 1.540 28.563 ( 1.428 -1.563 -1.304) 2.486 28.650 ( -1.325 -4.410 1.709) 4.912 28.706 ( 0.504 -4.861 -0.711) 4.938 29.117 ( -2.436 9.357 4.982) 10.877 29.402 ( 8.513 11.021 -6.647) 15.431 29.505 ( 1.935 9.681 0.016) 9.873 29.537 ( -6.518 12.338 -1.047) 13.993 29.921 ( -5.903 8.385 5.611) 11.689 30.208 ( -0.193 4.636 -2.455) 5.250 30.235 ( -0.034 12.934 7.644) 15.024 30.740 ( 9.179 5.790 -12.252) 16.367 31.102 ( -0.191 -0.771 -0.079) 0.798 31.143 ( -2.570 0.794 -1.577) 3.118 31.333 ( 1.331 -0.737 3.519) 3.833 31.417 ( 3.473 -4.054 -1.384) 5.515 31.748 ( 6.209 -8.855 9.845) 14.625 32.006 ( -1.262 -12.572 -1.784) 12.761 32.420 ( -13.287 -11.540 0.899) 17.622 32.641 ( 2.921 -15.771 -5.856) 17.075 ======================= Grid point 93 (41/84) ======================= q-point: (-0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -19.600 20.242 7.466) 29.148 2.191 ( -35.771 3.584 1.134) 35.968 2.415 ( -1.330 13.187 -9.477) 16.294 2.539 ( -23.113 -5.914 -4.217) 24.228 2.801 ( 13.687 15.551 5.315) 21.387 2.962 ( 10.890 3.397 -6.283) 13.023 3.226 ( 3.679 16.431 3.103) 17.121 3.322 ( 7.095 10.727 1.124) 12.910 3.435 ( -18.390 20.541 6.641) 28.359 3.639 ( 11.884 4.687 3.034) 13.130 3.748 ( -11.782 3.835 -2.215) 12.587 3.931 ( 1.369 -5.235 0.513) 5.435 4.025 ( -9.600 8.279 -3.755) 13.221 4.075 ( -5.352 0.997 2.665) 6.061 4.226 ( 10.145 -5.194 0.726) 11.421 4.429 ( 0.568 3.961 2.008) 4.477 4.544 ( 5.049 -0.558 -0.267) 5.087 4.721 ( -1.579 -7.682 0.348) 7.850 4.780 ( 13.123 -6.789 -3.098) 15.096 4.851 ( -0.304 10.567 0.714) 10.595 4.938 ( -1.752 -1.786 2.841) 3.786 5.098 ( -3.982 -1.994 -1.976) 4.872 5.222 ( -2.104 1.040 -1.093) 2.589 5.323 ( -8.806 -0.223 -1.657) 8.964 5.366 ( -0.266 -1.729 -3.151) 3.604 5.484 ( 0.225 0.781 -3.017) 3.125 5.517 ( -8.454 5.514 0.987) 10.142 5.681 ( 1.608 1.910 -1.740) 3.043 5.788 ( 3.847 3.536 0.338) 5.236 5.876 ( 8.962 -2.514 -0.980) 9.359 5.986 ( 5.666 0.588 -4.524) 7.275 6.058 ( 11.602 -1.913 3.556) 12.285 6.190 ( 4.099 -3.004 0.654) 5.124 6.277 ( 11.225 -4.549 -2.933) 12.462 6.327 ( 2.650 1.849 4.308) 5.385 6.418 ( 5.504 1.015 2.124) 5.987 6.545 ( -5.842 3.721 -6.280) 9.350 6.731 ( 12.179 5.076 5.879) 14.445 6.870 ( 2.662 5.829 3.184) 7.155 6.969 ( 0.161 4.786 -5.472) 7.272 7.028 ( -2.598 4.686 -0.354) 5.369 7.168 ( 2.119 -0.604 -0.213) 2.214 7.238 ( 1.811 2.665 5.268) 6.175 7.409 ( -0.903 9.208 -4.748) 10.399 8.071 ( -0.376 8.892 3.873) 9.706 8.195 ( -3.659 14.896 2.022) 15.472 8.307 ( -6.992 15.137 -4.591) 17.294 8.403 ( -1.596 5.600 3.320) 6.703 8.493 ( 0.385 5.294 0.814) 5.371 8.592 ( 1.455 5.035 -2.911) 5.996 9.183 ( 2.049 0.878 7.263) 7.598 9.224 ( -5.453 -3.414 -4.916) 8.097 9.570 ( -8.955 -0.668 1.555) 9.113 9.677 ( -9.596 1.210 0.028) 9.672 10.094 ( 3.207 1.889 1.833) 4.148 10.217 ( 6.416 3.831 -2.155) 7.777 10.392 ( 1.433 2.574 2.328) 3.755 10.589 ( 3.410 0.990 -0.483) 3.583 10.711 ( 5.706 4.386 -1.165) 7.291 10.795 ( 5.472 3.060 -2.569) 6.775 11.575 ( -7.346 -2.126 -0.861) 7.696 11.821 ( -0.960 -0.286 1.156) 1.530 11.970 ( 2.275 1.443 -0.291) 2.709 12.075 ( -3.143 2.702 0.527) 4.178 12.554 ( -2.069 1.377 2.213) 3.328 12.818 ( 2.563 0.145 -0.299) 2.585 12.943 ( 8.784 -10.068 -0.525) 13.372 13.155 ( 5.510 -7.479 -0.350) 9.296 13.530 ( -6.789 -13.937 -0.458) 15.510 13.611 ( -3.990 -13.394 -1.065) 14.017 13.853 ( -3.415 -25.205 2.499) 25.557 13.926 ( -1.086 -24.728 -1.424) 24.793 14.451 ( -9.067 -19.123 -0.254) 21.166 14.555 ( -3.379 -23.978 0.115) 24.215 14.938 ( 3.081 -11.154 -1.281) 11.642 14.977 ( 4.432 -12.067 1.097) 12.902 16.711 ( -14.923 27.347 2.878) 31.286 16.978 ( -8.772 26.707 -7.385) 29.064 17.626 ( 20.981 22.048 1.332) 30.465 17.694 ( 21.125 22.162 -1.975) 30.680 20.290 ( -22.201 -11.148 1.208) 24.872 20.398 ( -22.852 -10.886 -1.153) 25.339 21.586 ( 17.140 -5.757 -2.041) 18.196 21.606 ( 20.164 -1.398 2.580) 20.376 22.408 ( -5.817 4.578 -1.237) 7.505 22.479 ( -8.311 4.090 -0.263) 9.266 22.841 ( 3.895 10.587 2.647) 11.588 23.013 ( 4.912 11.879 -0.328) 12.859 28.491 ( -2.314 -2.098 0.024) 3.124 28.557 ( -2.135 -1.989 -0.481) 2.958 28.628 ( -1.109 -3.747 0.855) 4.000 28.702 ( -0.670 -3.835 -0.365) 3.910 29.011 ( -8.012 11.104 4.229) 14.331 29.297 ( -9.001 13.332 -5.222) 16.912 29.606 ( 10.034 10.258 -3.894) 14.869 29.666 ( 8.891 8.189 1.429) 12.171 29.794 ( -8.559 15.207 7.631) 19.045 30.217 ( 2.104 3.043 -2.520) 4.476 30.260 ( -0.717 9.003 5.378) 10.511 30.844 ( 6.639 5.428 -12.718) 15.338 30.976 ( -7.378 -0.335 -0.974) 7.450 31.142 ( -1.270 -3.675 5.219) 6.508 31.367 ( 1.514 1.716 -2.439) 3.345 31.489 ( 3.874 -3.066 -2.749) 5.653 31.813 ( -9.694 -11.328 -3.099) 15.229 31.928 ( -2.383 -9.011 -2.039) 9.542 32.145 ( -5.910 -8.328 10.950) 14.973 32.882 ( 16.270 -19.606 -0.706) 25.487 ======================= Grid point 94 (42/84) ======================= q-point: (-0.17 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -15.895 23.282 12.224) 30.726 1.642 ( -11.854 20.652 6.693) 24.735 2.200 ( -0.567 8.316 -8.955) 12.234 2.365 ( 1.896 5.801 -14.301) 15.549 2.806 ( -33.141 36.015 12.272) 50.458 3.066 ( -7.264 18.148 -1.199) 19.585 3.235 ( 1.491 13.907 2.444) 14.198 3.272 ( 9.394 7.046 -0.852) 11.774 3.490 ( 5.409 5.081 1.943) 7.671 3.525 ( -3.771 5.795 2.758) 7.444 3.659 ( -9.014 17.884 2.938) 20.241 3.851 ( 5.480 7.820 -0.252) 9.552 3.896 ( -0.864 3.359 -4.575) 5.741 4.143 ( 4.715 -0.976 -2.355) 5.360 4.322 ( -5.460 7.099 -10.455) 13.767 4.405 ( 3.470 -1.793 9.785) 10.536 4.631 ( -2.110 -3.685 0.862) 4.333 4.703 ( -3.001 0.846 1.549) 3.481 4.767 ( -1.237 1.022 -4.557) 4.831 4.934 ( 1.265 -5.491 0.612) 5.668 5.010 ( -2.690 -6.576 2.553) 7.550 5.098 ( -5.616 -4.947 -2.401) 7.860 5.176 ( 11.416 0.211 -1.883) 11.572 5.252 ( 2.395 3.150 2.011) 4.438 5.348 ( -7.079 1.172 0.913) 7.233 5.354 ( 2.812 -4.495 2.358) 5.803 5.556 ( 5.326 -6.434 -1.646) 8.513 5.692 ( 1.641 6.366 -4.467) 7.948 5.858 ( 2.039 2.226 0.597) 3.077 5.947 ( -1.739 -2.175 1.346) 3.093 6.041 ( -0.076 -0.722 -8.516) 8.547 6.166 ( 2.113 1.996 -9.460) 9.896 6.216 ( 1.632 -2.340 -7.404) 7.935 6.405 ( 3.460 1.558 -2.664) 4.637 6.486 ( 7.892 1.312 9.577) 12.479 6.572 ( 4.201 -6.401 -2.869) 8.176 6.626 ( 12.393 -0.072 6.784) 14.128 6.872 ( -0.734 7.226 -3.061) 7.882 6.921 ( 4.233 1.257 2.125) 4.901 7.034 ( 5.264 5.389 1.602) 7.702 7.147 ( -3.042 -3.708 2.924) 5.617 7.186 ( 13.328 2.210 6.074) 14.812 7.312 ( 3.061 10.439 -1.324) 10.958 7.432 ( 9.738 2.831 -2.028) 10.342 8.021 ( -13.116 6.987 1.908) 14.983 8.061 ( -5.757 10.858 0.738) 12.312 8.240 ( 2.889 9.270 1.590) 9.839 8.425 ( 0.809 5.047 3.288) 6.078 8.510 ( 0.750 3.358 3.279) 4.753 8.596 ( 2.329 -1.935 -3.796) 4.856 8.906 ( -19.905 -11.688 -0.689) 23.093 8.986 ( -15.917 -11.615 -0.178) 19.705 9.686 ( 5.576 8.508 0.782) 10.203 9.696 ( 12.857 11.080 3.430) 17.315 10.080 ( -4.690 8.946 2.191) 10.335 10.235 ( -0.874 11.590 -1.239) 11.689 10.483 ( 3.149 2.554 0.649) 4.107 10.683 ( 5.171 -0.537 -1.778) 5.494 10.771 ( 0.172 0.779 -0.493) 0.938 10.840 ( -0.362 -2.015 -2.431) 3.179 11.425 ( -4.248 1.459 -1.077) 4.619 11.776 ( -6.567 -2.043 1.670) 7.077 11.998 ( 2.501 12.686 -1.307) 12.996 12.046 ( 1.981 14.205 0.801) 14.365 12.663 ( 8.843 -3.384 3.777) 10.194 12.901 ( 3.424 -6.044 -1.841) 7.186 13.072 ( 2.491 -6.833 -0.893) 7.328 13.188 ( -1.442 -4.800 -0.074) 5.013 13.423 ( -0.551 -13.739 -0.463) 13.758 13.543 ( -1.764 -14.632 -0.885) 14.764 13.796 ( -1.201 -22.759 2.317) 22.908 13.935 ( 4.100 -21.962 -2.147) 22.445 14.212 ( -14.602 -13.755 1.414) 20.110 14.407 ( -10.584 -19.634 -3.001) 22.506 15.009 ( 3.508 -19.200 -0.376) 19.521 15.053 ( 2.489 -19.758 0.372) 19.918 16.469 ( -9.344 29.981 2.762) 31.525 16.806 ( -2.814 29.446 -12.204) 31.999 18.030 ( 17.647 27.048 -0.169) 32.296 18.163 ( 22.417 23.367 -1.901) 32.437 19.853 ( -18.885 -18.375 0.530) 26.354 19.907 ( -22.521 -18.358 -0.043) 29.055 21.877 ( 10.002 -9.047 -1.048) 13.527 21.956 ( 8.994 -6.224 0.961) 10.979 22.296 ( -3.271 4.890 0.400) 5.897 22.356 ( -0.646 8.009 -0.544) 8.053 22.931 ( 2.950 13.903 3.536) 14.646 23.092 ( 2.494 15.194 -0.414) 15.403 28.429 ( -3.518 -2.206 -0.144) 4.155 28.472 ( -5.204 -2.425 0.247) 5.747 28.617 ( -0.215 -1.307 -0.135) 1.332 28.678 ( -1.335 -2.105 -0.363) 2.519 28.880 ( -6.430 12.816 4.810) 15.124 29.116 ( -4.878 15.988 -5.938) 17.738 29.668 ( -5.503 21.079 8.617) 23.428 29.798 ( 8.935 8.571 -1.756) 12.505 29.853 ( 7.083 7.264 0.389) 10.153 30.254 ( 2.320 -0.158 -2.562) 3.460 30.260 ( -1.780 6.857 4.361) 8.319 30.823 ( -4.352 5.646 -5.751) 9.159 30.894 ( 2.984 2.824 -9.397) 10.255 31.108 ( -6.009 -5.973 2.596) 8.862 31.367 ( 2.000 5.465 -13.848) 15.021 31.498 ( -6.495 -0.745 -8.258) 10.532 31.565 ( -5.686 -1.388 -2.583) 6.397 31.675 ( -7.003 -7.911 -5.154) 11.755 32.429 ( 12.256 -20.607 30.882) 39.097 33.167 ( 10.187 -24.911 -0.074) 26.913 ======================= Grid point 95 (43/84) ======================= q-point: ( 0.00 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -0.692 27.347 7.253) 28.301 2.353 ( 1.775 14.307 -2.718) 14.671 2.538 ( 5.259 25.290 -0.844) 25.844 2.780 ( 0.885 20.376 0.284) 20.397 2.937 ( 11.184 13.751 0.936) 17.749 3.085 ( -15.113 22.853 -5.831) 28.012 3.372 ( -1.239 1.588 6.287) 6.601 3.460 ( 10.056 0.690 1.392) 10.176 3.682 ( -2.693 9.285 4.150) 10.521 3.729 ( -10.907 8.129 -6.581) 15.111 3.825 ( -8.440 5.630 2.152) 10.371 3.975 ( 3.826 -0.128 -5.301) 6.538 4.114 ( -0.838 7.071 -2.576) 7.572 4.214 ( 1.133 5.581 -3.432) 6.650 4.335 ( 2.251 -0.706 8.390) 8.716 4.464 ( 9.395 -0.634 3.089) 9.910 4.524 ( -12.544 1.878 -1.356) 12.756 4.635 ( -3.030 -4.549 -0.918) 5.542 4.708 ( -0.357 -2.755 6.799) 7.345 4.896 ( 2.038 -1.950 -2.673) 3.886 4.930 ( 7.778 -0.278 -3.660) 8.601 5.006 ( 5.724 2.666 -3.597) 7.267 5.162 ( 0.459 -5.893 2.865) 6.569 5.189 ( 3.739 -5.610 3.325) 7.517 5.312 ( 2.749 -0.624 0.771) 2.923 5.480 ( -5.750 -1.447 5.999) 8.434 5.484 ( 0.799 -3.109 5.387) 6.271 5.744 ( -3.361 -6.010 -11.498) 13.402 5.859 ( -4.795 -1.265 -10.075) 11.229 5.898 ( -1.121 10.112 2.895) 10.578 5.957 ( 1.337 1.949 -5.799) 6.262 6.190 ( -2.879 1.543 -5.266) 6.196 6.246 ( 6.291 -2.868 -1.127) 7.005 6.399 ( -6.224 -0.332 -6.632) 9.101 6.477 ( -2.084 -1.541 1.575) 3.032 6.665 ( -4.865 -2.021 -5.666) 7.736 6.728 ( 6.934 -3.895 7.965) 11.256 6.912 ( 2.156 -6.334 -0.238) 6.695 7.074 ( 8.028 0.697 3.723) 8.876 7.118 ( -4.732 10.093 4.645) 12.076 7.286 ( -9.547 5.376 0.745) 10.981 7.449 ( 7.584 7.194 7.888) 13.096 7.567 ( 5.836 -1.453 -6.203) 8.640 7.714 ( 5.738 9.940 -2.054) 11.660 7.824 ( -7.847 -3.884 4.109) 9.672 7.928 ( -0.708 -6.462 -1.834) 6.755 8.400 ( -2.427 7.906 2.936) 8.776 8.465 ( -3.985 7.742 2.624) 9.094 8.547 ( 3.594 7.598 -1.396) 8.520 8.556 ( 1.763 5.213 1.199) 5.632 8.801 ( -0.762 8.041 1.436) 8.203 8.859 ( 1.137 7.951 -1.647) 8.199 9.926 ( -1.651 12.637 1.605) 12.845 9.988 ( -1.573 8.897 -1.526) 9.163 10.352 ( 1.648 13.487 4.753) 14.395 10.556 ( -0.391 16.757 -1.391) 16.819 10.645 ( -2.406 1.684 0.935) 3.082 10.663 ( 0.736 3.956 -1.603) 4.331 10.735 ( -1.199 0.365 -1.578) 2.015 10.849 ( 2.969 5.337 -6.615) 9.003 11.455 ( 0.434 -2.482 4.417) 5.085 11.587 ( -0.348 -2.081 -0.709) 2.226 12.367 ( 0.861 11.847 0.772) 11.904 12.408 ( -0.565 13.511 -0.833) 13.548 12.700 ( -0.039 -21.272 1.148) 21.303 12.733 ( -1.654 -21.478 -0.068) 21.542 12.780 ( 2.259 -1.635 4.663) 5.433 13.052 ( -3.135 -10.249 -3.456) 11.261 13.106 ( 0.999 -13.652 -1.035) 13.728 13.166 ( 1.128 -13.079 -1.015) 13.167 13.458 ( 1.732 -20.827 3.040) 21.119 13.590 ( -2.223 -20.260 -2.025) 20.481 13.741 ( -0.799 -7.959 1.970) 8.238 13.864 ( 1.463 -12.569 -2.736) 12.946 14.601 ( 0.355 -21.448 0.208) 21.452 14.613 ( -0.352 -21.559 -0.288) 21.564 17.035 ( -1.323 31.820 3.484) 32.037 17.344 ( 2.423 27.277 -8.825) 28.771 18.988 ( 6.006 36.097 0.873) 36.603 19.068 ( -1.996 27.335 -2.542) 27.526 19.107 ( -15.249 -19.260 1.231) 24.597 19.163 ( 11.243 -17.539 -0.428) 20.838 21.639 ( -0.603 -20.021 0.421) 20.034 21.654 ( 0.032 -20.489 -0.130) 20.490 22.549 ( -0.187 13.273 0.522) 13.284 22.603 ( 0.020 12.723 -1.425) 12.802 23.225 ( 0.873 6.651 3.279) 7.467 23.334 ( -0.766 5.292 -1.175) 5.475 28.383 ( 0.496 0.316 0.201) 0.621 28.394 ( -0.457 0.142 -0.207) 0.521 28.581 ( 0.513 -2.854 0.372) 2.924 28.605 ( -0.470 -3.215 -0.528) 3.292 29.142 ( -1.242 16.536 4.100) 17.082 29.404 ( 1.179 16.857 -7.068) 18.316 29.990 ( -0.366 7.676 6.885) 10.318 30.050 ( -1.666 8.568 -0.513) 8.743 30.138 ( 2.797 7.749 0.798) 8.277 30.242 ( -0.140 -1.673 0.278) 1.701 30.392 ( 0.861 11.250 4.681) 12.216 30.830 ( -3.518 -4.814 -0.959) 6.039 30.898 ( -2.252 7.387 -3.611) 8.525 31.053 ( 3.522 6.563 -7.673) 10.693 31.334 ( -2.911 -2.115 1.739) 3.997 31.401 ( -1.623 -6.640 -3.754) 7.798 31.436 ( 1.376 1.775 -6.337) 6.723 31.519 ( 0.138 -0.402 -4.445) 4.466 32.303 ( 5.846 -19.854 17.694) 27.229 32.678 ( -2.170 -26.973 -2.530) 27.178 ======================= Grid point 96 (44/84) ======================= q-point: ( 0.17 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -0.333 18.995 5.570) 19.798 2.212 ( -4.085 23.611 3.522) 24.219 2.460 ( 3.844 12.430 -11.291) 17.227 2.567 ( -13.118 14.997 -4.952) 20.530 3.158 ( 8.000 7.082 1.553) 10.797 3.309 ( -1.504 2.042 3.502) 4.324 3.352 ( -0.437 7.431 -4.907) 8.915 3.485 ( -5.616 7.342 -3.786) 9.989 3.625 ( 1.682 4.728 1.453) 5.225 3.664 ( 9.546 5.000 11.999) 16.127 3.766 ( 1.442 18.368 5.729) 19.294 3.945 ( -5.838 0.229 -2.774) 6.467 4.094 ( 1.136 6.902 -3.348) 7.755 4.228 ( -2.626 0.921 0.203) 2.790 4.314 ( -2.327 -4.206 -1.825) 5.142 4.436 ( 2.745 6.031 12.282) 13.955 4.545 ( 0.211 -9.214 0.215) 9.218 4.618 ( -1.973 -1.832 -1.254) 2.970 4.847 ( 6.916 -2.745 1.208) 7.539 4.919 ( 4.793 3.557 -3.007) 6.683 4.987 ( -13.089 -2.921 -4.607) 14.180 5.063 ( 6.591 -11.525 -6.475) 14.771 5.099 ( 1.371 -1.938 -1.481) 2.798 5.252 ( -10.205 -4.514 1.131) 11.216 5.352 ( 5.302 6.265 -2.368) 8.542 5.420 ( 1.051 -2.409 9.067) 9.440 5.525 ( 2.544 6.886 0.183) 7.343 5.692 ( 3.178 -0.074 -4.164) 5.239 5.809 ( 6.508 -1.889 -2.154) 7.111 5.848 ( -4.600 8.027 2.605) 9.611 5.959 ( 1.681 4.037 -2.207) 4.898 6.086 ( -2.890 0.150 -6.969) 7.546 6.234 ( -6.329 -0.835 -2.361) 6.807 6.341 ( -0.442 1.877 -0.808) 2.091 6.404 ( -7.022 -5.143 -0.034) 8.704 6.497 ( -6.231 -5.284 2.988) 8.699 6.755 ( -6.606 -6.138 2.178) 9.277 6.944 ( 2.112 5.217 -3.980) 6.894 6.971 ( -1.189 4.168 1.467) 4.576 7.116 ( -8.437 6.949 -3.451) 11.462 7.259 ( 3.960 1.898 5.748) 7.233 7.422 ( -5.585 15.027 2.771) 16.269 7.489 ( -11.128 7.959 -1.334) 13.747 7.702 ( 1.320 12.581 -2.966) 12.993 8.137 ( 13.511 -10.343 3.330) 17.338 8.180 ( 21.668 -13.709 -0.487) 25.645 8.377 ( 5.653 16.323 1.719) 17.360 8.406 ( -2.516 3.770 3.791) 5.909 8.584 ( 0.599 8.264 -1.095) 8.358 8.644 ( 5.402 9.763 -0.800) 11.187 8.850 ( 4.396 5.265 -0.028) 6.859 8.945 ( 7.437 3.670 -0.362) 8.302 9.839 ( -5.661 14.646 0.631) 15.714 9.902 ( -6.978 8.933 2.119) 11.531 10.314 ( -6.056 11.163 0.493) 12.709 10.500 ( -6.629 5.419 -0.066) 8.562 10.559 ( -1.007 13.533 1.658) 13.672 10.666 ( -0.379 2.386 -1.888) 3.066 10.762 ( 2.325 3.958 -1.262) 4.761 10.940 ( 5.569 3.641 -3.853) 7.689 11.427 ( -1.569 -4.185 1.183) 4.623 11.688 ( 5.404 -1.940 0.174) 5.745 12.199 ( -14.151 -1.102 1.771) 14.304 12.220 ( -12.591 3.898 -0.865) 13.209 12.663 ( -2.593 -0.955 4.291) 5.104 12.729 ( -1.900 -12.442 -1.280) 12.651 12.871 ( 2.136 -19.322 2.310) 19.577 12.980 ( -1.741 -7.301 -3.828) 8.426 13.174 ( 5.709 -10.202 -0.238) 11.694 13.230 ( 5.040 -16.321 -0.513) 17.089 13.361 ( -6.523 -13.092 1.485) 14.702 13.453 ( -4.759 -20.024 -1.588) 20.643 13.910 ( 8.412 -16.975 1.230) 18.985 13.991 ( 7.568 -14.788 -1.593) 16.688 14.624 ( 2.277 -18.173 -0.582) 18.324 14.651 ( 3.608 -18.448 0.547) 18.805 17.090 ( 5.001 30.443 3.135) 31.010 17.388 ( 5.922 26.878 -7.586) 28.549 18.513 ( -26.593 12.358 0.775) 29.334 18.556 ( -22.830 13.536 -1.018) 26.560 19.612 ( 28.427 2.639 0.138) 28.550 19.723 ( 28.956 0.963 -0.505) 28.977 21.614 ( -2.675 -16.926 -1.363) 17.191 21.655 ( -2.425 -18.524 1.378) 18.732 22.470 ( -4.922 12.844 0.471) 13.762 22.569 ( -1.729 10.770 -0.684) 10.929 23.203 ( -4.777 5.560 3.604) 8.168 23.257 ( -5.781 4.083 -2.060) 7.371 28.411 ( 2.215 -0.718 -0.416) 2.365 28.424 ( 2.799 -0.935 0.431) 2.982 28.589 ( 0.004 -3.607 0.054) 3.607 28.597 ( -0.043 -3.154 -0.225) 3.163 29.182 ( 2.951 16.188 4.317) 17.012 29.436 ( 5.137 15.552 -6.684) 17.690 29.918 ( -6.961 6.859 -0.267) 9.776 30.038 ( -1.556 11.931 2.359) 12.261 30.117 ( -3.320 5.949 4.509) 8.169 30.264 ( 1.064 -1.757 -0.763) 2.191 30.490 ( 2.789 14.739 8.674) 17.328 30.733 ( -0.542 0.418 -9.294) 9.319 30.912 ( 3.724 4.773 0.797) 6.106 31.089 ( 3.664 1.981 -6.932) 8.087 31.278 ( -2.664 -1.269 2.423) 3.818 31.395 ( 0.464 -5.441 -3.222) 6.341 31.460 ( 2.475 2.085 -3.030) 4.433 31.542 ( 4.624 -4.250 -0.862) 6.340 32.422 ( -3.046 -20.346 10.715) 23.196 32.557 ( -6.394 -24.882 -3.224) 25.892 ======================= Grid point 97 (45/84) ======================= q-point: ( 0.33 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 16.782 -4.865 0.690) 17.486 2.341 ( 12.395 16.756 0.937) 20.863 2.501 ( 8.845 1.191 -4.884) 10.174 2.596 ( 10.160 11.212 -4.944) 15.918 2.928 ( -10.979 10.592 -7.097) 16.826 3.174 ( -11.125 5.415 2.125) 12.554 3.336 ( -6.553 2.950 0.179) 7.188 3.468 ( -7.275 0.943 7.495) 10.488 3.614 ( -1.967 15.180 2.995) 15.597 3.637 ( -23.973 -7.379 -0.983) 25.102 3.807 ( -1.087 -4.041 8.156) 9.167 3.894 ( 3.239 -1.881 -0.058) 3.746 4.079 ( -0.287 0.888 -0.772) 1.211 4.155 ( -3.370 0.212 3.384) 4.780 4.308 ( -0.212 -4.548 -2.912) 5.404 4.460 ( -3.243 -1.647 -0.114) 3.639 4.520 ( -5.545 -12.399 -4.997) 14.473 4.634 ( 7.821 3.984 5.760) 10.498 4.769 ( 1.386 9.987 0.220) 10.085 4.903 ( -7.051 -8.789 0.933) 11.307 4.928 ( 1.773 2.690 -1.928) 3.755 5.140 ( 6.107 -0.128 -2.497) 6.599 5.158 ( 3.578 2.780 -1.070) 4.656 5.265 ( 5.902 -9.974 -5.157) 12.685 5.453 ( 11.501 6.464 0.666) 13.210 5.550 ( 3.090 5.215 5.705) 8.324 5.589 ( 1.555 7.169 2.188) 7.655 5.775 ( 2.086 3.389 1.036) 4.112 5.817 ( 1.987 3.691 0.553) 4.228 5.866 ( 0.062 3.506 -0.143) 3.510 5.927 ( -9.186 0.990 -5.021) 10.515 6.044 ( -4.000 0.303 -5.950) 7.176 6.097 ( 7.446 4.414 2.681) 9.062 6.250 ( 0.237 -1.365 -1.394) 1.965 6.324 ( -2.958 4.590 1.116) 5.573 6.482 ( -6.447 0.126 -2.414) 6.886 6.637 ( -1.787 6.539 7.844) 10.367 6.806 ( -9.946 4.054 -5.609) 12.117 6.997 ( 1.159 5.703 -2.374) 6.285 7.072 ( 0.821 6.806 -3.027) 7.494 7.092 ( -7.715 8.164 1.810) 11.378 7.383 ( -2.217 14.989 1.409) 15.218 7.447 ( 0.306 5.993 2.670) 6.569 7.676 ( -1.258 10.450 -4.903) 11.612 8.220 ( 1.108 1.782 4.489) 4.955 8.348 ( -3.589 2.597 3.842) 5.864 8.520 ( 5.777 -2.663 -2.213) 6.735 8.625 ( 3.713 9.931 -0.423) 10.611 8.662 ( 10.866 7.656 -0.017) 13.293 8.746 ( 7.449 15.179 -2.870) 17.150 8.968 ( 6.916 -1.353 1.079) 7.129 9.184 ( 14.941 -6.199 0.482) 16.182 9.767 ( -3.415 10.054 1.606) 10.739 9.771 ( -0.393 13.410 1.150) 13.465 10.155 ( -10.319 10.075 0.623) 14.436 10.359 ( -7.412 6.761 0.258) 10.036 10.504 ( -8.035 6.137 1.226) 10.185 10.628 ( 1.930 7.469 -1.043) 7.784 10.777 ( -2.253 4.089 0.297) 4.678 10.969 ( -1.021 7.574 -4.541) 8.890 11.458 ( 3.106 -7.659 1.755) 8.450 11.672 ( -4.908 -6.347 -1.199) 8.113 11.938 ( -9.400 -9.172 2.890) 13.448 12.094 ( 0.332 -2.044 -1.371) 2.484 12.641 ( -3.378 -8.255 -0.907) 8.965 12.674 ( 0.546 -0.647 3.217) 3.327 12.872 ( -4.077 -14.058 2.694) 14.883 12.921 ( -1.145 -8.930 -4.788) 10.197 13.255 ( 1.859 -20.435 0.707) 20.532 13.321 ( 4.351 -10.188 -1.759) 11.217 13.339 ( 2.373 -15.820 1.549) 16.072 13.406 ( -0.651 -21.874 -0.377) 21.887 14.000 ( 1.533 -19.020 0.319) 19.085 14.103 ( 3.274 -16.228 -0.526) 16.563 14.690 ( 3.841 -12.268 -0.355) 12.860 14.730 ( 2.945 -13.248 0.582) 13.584 17.264 ( 10.088 26.775 2.884) 28.757 17.508 ( 9.030 24.929 -5.412) 27.060 18.023 ( -21.336 16.565 1.395) 27.047 18.132 ( -17.549 15.593 -1.836) 23.547 20.179 ( 25.602 1.928 0.431) 25.678 20.292 ( 25.936 1.533 -0.475) 25.986 21.432 ( -14.026 -6.532 -1.818) 15.579 21.506 ( -13.218 -11.331 2.068) 17.532 22.472 ( 5.280 5.618 0.373) 7.719 22.583 ( 3.952 5.697 -0.743) 6.973 23.075 ( -9.178 2.937 3.481) 10.246 23.099 ( -7.396 1.693 -2.498) 7.988 28.462 ( 2.655 -2.091 -0.545) 3.423 28.481 ( 2.032 -2.013 0.519) 2.907 28.588 ( -0.086 -4.537 0.004) 4.537 28.591 ( -0.464 -3.729 -0.071) 3.758 29.287 ( 4.028 13.943 4.993) 15.348 29.531 ( 7.022 13.639 -6.424) 16.631 29.779 ( -5.467 10.208 -0.403) 11.587 29.951 ( -5.689 12.378 -1.403) 13.694 30.103 ( -2.007 6.048 5.678) 8.535 30.260 ( -0.351 0.567 -1.992) 2.101 30.538 ( -1.834 12.648 8.551) 15.377 30.736 ( 4.096 3.302 -6.594) 8.436 31.047 ( 6.508 2.005 2.424) 7.229 31.132 ( 3.454 -3.249 -4.325) 6.418 31.249 ( -2.297 -2.661 1.827) 3.962 31.354 ( -0.282 -2.371 -2.681) 3.590 31.532 ( 3.742 1.095 -0.535) 3.936 31.673 ( 7.434 -8.327 0.839) 11.194 32.271 ( -9.436 -20.371 -2.213) 22.559 32.448 ( -6.266 -16.691 2.196) 17.963 ======================= Grid point 98 (46/84) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -8.570 5.844 0.031) 10.373 2.575 ( 1.436 1.524 -0.317) 2.118 2.647 ( 16.501 -11.787 -0.526) 20.285 2.783 ( 7.344 7.590 -5.821) 12.060 2.910 ( -19.307 2.156 0.133) 19.427 2.975 ( 11.815 -9.167 -0.615) 14.966 3.032 ( -11.131 2.056 -1.740) 11.453 3.150 ( 4.886 -13.323 -3.728) 14.672 3.400 ( 2.128 13.640 5.571) 14.886 3.570 ( -2.993 17.711 2.365) 18.118 3.796 ( -2.327 3.851 5.184) 6.865 3.969 ( 5.059 -4.554 0.416) 6.819 4.042 ( -2.871 -1.665 4.985) 5.989 4.122 ( -1.357 -3.846 1.793) 4.455 4.306 ( -3.115 1.228 -1.613) 3.717 4.398 ( 0.574 -2.210 -4.155) 4.741 4.540 ( 4.680 -5.957 -1.821) 7.791 4.651 ( -9.132 -0.178 0.362) 9.141 4.828 ( 4.836 -3.383 2.683) 6.483 4.846 ( -1.021 -5.442 -1.686) 5.788 4.988 ( 2.923 11.062 7.314) 13.580 5.194 ( 2.153 -5.170 -2.538) 6.148 5.238 ( 1.436 3.591 0.176) 3.871 5.299 ( -1.888 -2.264 -6.333) 6.985 5.510 ( -4.602 1.408 -0.965) 4.909 5.539 ( 0.702 2.110 -2.521) 3.361 5.641 ( -3.179 2.878 2.940) 5.200 5.759 ( 0.711 3.714 1.385) 4.027 5.777 ( -2.068 -2.720 0.859) 3.523 5.868 ( 2.159 2.042 -0.793) 3.075 5.972 ( 3.655 -1.038 -6.504) 7.532 5.995 ( 0.080 0.094 0.315) 0.339 6.179 ( -5.027 8.382 -1.365) 9.869 6.213 ( -3.800 20.086 0.184) 20.443 6.375 ( 10.640 5.777 2.083) 12.285 6.456 ( 6.243 9.193 2.344) 11.357 6.575 ( -1.436 10.861 3.094) 11.384 6.784 ( 5.600 0.029 5.733) 8.014 6.895 ( -4.944 5.675 -2.230) 7.850 7.104 ( 5.186 10.690 1.421) 11.966 7.131 ( 0.955 6.730 -2.315) 7.181 7.258 ( -7.356 9.465 -5.988) 13.399 7.410 ( -3.916 7.866 0.365) 8.795 7.630 ( 0.067 8.834 -5.773) 10.554 8.250 ( -3.050 7.638 5.883) 10.112 8.328 ( 1.095 -1.517 4.252) 4.645 8.563 ( 0.326 4.306 -3.555) 5.593 8.619 ( 0.026 0.696 -4.393) 4.448 8.743 ( 0.584 14.794 1.907) 14.928 8.849 ( -1.554 17.429 -2.252) 17.643 9.115 ( 3.974 -2.911 5.258) 7.205 9.320 ( -3.041 -4.444 -2.999) 6.163 9.852 ( -5.720 6.824 0.735) 8.935 9.889 ( 5.137 7.610 -0.351) 9.188 9.930 ( 2.708 11.836 5.526) 13.341 10.159 ( -0.665 9.048 -3.084) 9.582 10.449 ( -0.463 3.986 4.723) 6.197 10.677 ( -4.726 4.438 -2.356) 6.898 10.703 ( 4.586 6.952 0.862) 8.373 10.913 ( 0.076 8.099 -6.232) 10.220 11.503 ( -0.337 -10.013 2.952) 10.445 11.636 ( 3.046 -9.776 -2.433) 10.525 11.860 ( -1.679 -7.303 6.142) 9.690 12.097 ( -0.572 -3.779 -3.526) 5.200 12.589 ( -1.107 -7.791 -0.224) 7.873 12.693 ( -1.200 -5.982 -4.055) 7.326 12.771 ( -2.137 -7.526 5.296) 9.448 12.949 ( 3.731 -8.446 -1.544) 9.361 13.298 ( 0.947 -26.032 1.731) 26.106 13.352 ( -0.993 -10.920 -0.093) 10.966 13.380 ( -2.002 -23.953 -0.733) 24.048 13.390 ( 2.214 -15.423 -0.596) 15.592 14.029 ( 1.095 -17.716 1.597) 17.822 14.118 ( -0.945 -16.110 -1.747) 16.232 14.741 ( 0.038 -11.114 0.590) 11.130 14.759 ( -0.014 -9.969 -0.092) 9.970 17.457 ( 0.335 23.371 3.008) 23.566 17.651 ( 0.461 21.907 -4.359) 22.341 17.730 ( 0.276 20.068 2.418) 20.215 17.882 ( -0.164 18.413 -3.259) 18.700 20.527 ( 0.270 1.289 1.764) 2.201 20.628 ( -0.366 1.313 -2.076) 2.483 21.228 ( 3.324 -2.104 1.127) 4.093 21.264 ( -2.784 -6.213 -0.230) 6.812 22.581 ( 0.090 2.485 0.701) 2.584 22.656 ( 1.731 3.328 -2.333) 4.417 22.912 ( -5.071 1.270 3.045) 6.050 23.017 ( 2.798 -0.069 -1.314) 3.092 28.488 ( -0.806 -1.922 0.228) 2.096 28.515 ( 1.936 -2.736 -0.998) 3.497 28.563 ( -2.146 -4.001 1.221) 4.701 28.602 ( 1.033 -5.069 -0.494) 5.196 29.346 ( -1.825 12.280 4.968) 13.372 29.636 ( 5.411 11.239 -6.801) 14.208 29.731 ( 1.073 11.458 1.144) 11.565 29.832 ( -3.341 15.098 -2.553) 15.673 30.075 ( -3.088 6.400 4.567) 8.447 30.247 ( 0.360 2.051 -2.143) 2.988 30.529 ( -2.788 11.673 7.102) 13.945 30.806 ( 4.877 0.810 -3.973) 6.342 31.089 ( -1.914 -0.603 0.141) 2.012 31.150 ( -4.598 0.181 -1.934) 4.992 31.242 ( 4.999 -6.754 1.967) 8.630 31.411 ( 5.054 0.316 -2.420) 5.613 31.597 ( 2.675 -3.691 3.371) 5.669 31.751 ( -2.265 -10.963 -1.438) 11.287 32.160 ( -2.440 -13.613 1.975) 13.971 32.319 ( -1.938 -14.539 -3.843) 15.162 ======================= Grid point 99 (47/84) ======================= q-point: (-0.33 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -18.944 2.520 1.236) 19.151 2.302 ( -13.234 9.225 0.123) 16.132 2.438 ( -12.674 7.768 -4.857) 15.638 2.648 ( -7.345 9.658 -5.058) 13.146 2.938 ( 11.256 -0.033 -6.534) 13.015 3.201 ( 13.754 13.269 1.183) 19.148 3.344 ( 14.109 -8.058 6.464) 17.486 3.519 ( 3.203 3.795 -0.528) 4.994 3.566 ( 10.036 9.826 4.938) 14.888 3.629 ( 12.686 -6.299 -2.522) 14.386 3.794 ( 4.587 -0.165 7.230) 8.564 4.020 ( -5.938 1.909 7.333) 9.627 4.072 ( 0.707 -1.479 -5.999) 6.219 4.127 ( 2.598 3.393 3.137) 5.301 4.224 ( -1.584 1.987 0.629) 2.617 4.422 ( 0.708 -10.489 -2.778) 10.874 4.480 ( -1.872 10.051 0.494) 10.235 4.584 ( 1.939 -6.303 -0.616) 6.623 4.822 ( -2.979 -3.186 1.259) 4.540 4.907 ( 0.670 0.869 -1.291) 1.694 4.928 ( -4.087 4.661 -0.498) 6.219 5.102 ( -3.967 -4.136 -3.146) 6.538 5.198 ( -4.524 1.884 -1.956) 5.277 5.290 ( 5.210 -3.327 -2.599) 6.706 5.417 ( -11.375 7.443 3.020) 13.926 5.538 ( -8.338 -0.092 3.681) 9.115 5.653 ( 5.140 0.406 1.307) 5.319 5.697 ( -2.882 7.702 1.432) 8.348 5.818 ( 6.855 -3.286 -1.788) 7.809 5.883 ( -3.495 0.178 -3.399) 4.879 5.965 ( 5.593 -0.980 -5.007) 7.570 6.109 ( 0.227 0.430 3.226) 3.262 6.144 ( 2.147 4.972 2.338) 5.899 6.197 ( 10.651 1.376 -1.630) 10.862 6.393 ( -4.048 4.469 -0.103) 6.030 6.500 ( -2.719 5.115 3.648) 6.846 6.676 ( -1.698 9.332 -12.520) 15.707 6.840 ( 12.381 5.673 9.023) 16.337 6.969 ( -2.184 3.872 -1.340) 4.643 7.084 ( -0.945 3.620 -3.506) 5.127 7.163 ( 4.755 9.285 -4.585) 11.395 7.285 ( 2.114 9.200 -0.207) 9.442 7.354 ( 4.798 13.256 8.983) 16.716 7.619 ( 1.336 11.391 -5.596) 12.761 8.213 ( -1.460 2.419 3.620) 4.592 8.386 ( 0.376 0.050 6.722) 6.733 8.482 ( -5.794 -5.089 -2.376) 8.069 8.599 ( -2.487 10.011 -3.097) 10.770 8.665 ( -12.130 13.818 0.347) 18.390 8.717 ( -6.817 12.649 -2.246) 14.543 9.084 ( -9.921 -5.151 -0.206) 11.181 9.118 ( -11.831 -3.602 1.189) 12.424 9.724 ( 2.768 12.860 1.075) 13.198 9.825 ( 0.652 12.295 1.339) 12.385 10.223 ( 9.513 11.187 2.293) 14.863 10.369 ( 12.073 10.583 -2.176) 16.202 10.455 ( -0.254 4.050 3.182) 5.157 10.621 ( 1.792 2.483 -1.406) 3.370 10.811 ( 3.342 5.227 0.981) 6.281 10.917 ( 2.384 8.044 -5.525) 10.045 11.500 ( -1.809 -5.729 1.489) 6.189 11.716 ( 3.857 -8.967 -1.527) 9.880 11.926 ( 6.327 -5.539 4.642) 9.606 12.046 ( 0.688 -4.994 -2.544) 5.647 12.565 ( -0.059 -1.260 0.841) 1.516 12.709 ( 3.869 -9.308 -0.557) 10.096 12.802 ( 1.707 -12.093 1.694) 12.330 13.004 ( 2.034 -11.313 -1.609) 11.607 13.273 ( -4.106 -11.571 0.271) 12.281 13.294 ( -3.901 -18.961 -0.439) 19.363 13.376 ( -0.867 -14.716 0.913) 14.769 13.399 ( 2.052 -21.397 -0.862) 21.512 14.032 ( -3.188 -16.583 1.049) 16.919 14.072 ( -1.715 -18.251 -1.254) 18.375 14.694 ( -3.664 -12.898 -0.401) 13.414 14.730 ( -3.268 -12.683 0.627) 13.112 17.284 ( -11.425 26.903 3.392) 29.424 17.506 ( -6.461 23.774 -5.935) 25.341 18.028 ( 20.496 15.304 1.791) 25.642 18.120 ( 18.928 16.846 -2.241) 25.437 20.188 ( -25.487 2.409 0.493) 25.605 20.287 ( -25.738 0.891 -0.541) 25.759 21.425 ( 12.823 -10.249 -1.246) 16.462 21.533 ( 15.097 -7.606 1.473) 16.969 22.490 ( -5.005 5.047 0.574) 7.131 22.574 ( -4.887 5.683 -1.000) 7.562 22.992 ( 7.836 3.579 1.125) 8.688 23.156 ( 8.393 1.804 -0.063) 8.585 28.450 ( -2.387 -1.664 -0.233) 2.919 28.503 ( -3.139 -2.768 0.245) 4.192 28.553 ( 1.014 -3.454 -0.072) 3.600 28.616 ( 0.380 -4.457 -0.032) 4.473 29.279 ( -5.826 13.920 4.298) 15.690 29.590 ( -4.686 14.118 -6.945) 16.417 29.821 ( 6.068 9.289 0.964) 11.137 29.876 ( 6.879 11.934 -1.765) 13.887 30.036 ( -2.908 8.369 5.536) 10.447 30.251 ( 0.788 2.114 -1.514) 2.717 30.494 ( -3.591 11.091 4.259) 12.412 30.866 ( 1.603 -3.370 -2.443) 4.460 31.025 ( -2.457 3.964 0.483) 4.689 31.069 ( -3.093 -1.551 0.544) 3.502 31.337 ( 2.879 -4.784 0.945) 5.662 31.462 ( 2.095 -2.112 -6.917) 7.530 31.605 ( -5.407 -5.610 0.007) 7.792 31.734 ( 3.761 -8.794 2.363) 9.852 31.992 ( -9.138 -6.835 -0.987) 11.454 32.463 ( 10.772 -20.303 1.100) 23.010 ======================= Grid point 100 (48/84) ======================= q-point: (-0.17 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -5.617 25.044 7.368) 26.703 2.120 ( 3.793 25.796 1.570) 26.120 2.375 ( 8.940 10.151 -7.762) 15.595 2.560 ( 5.344 13.444 -8.065) 16.563 3.168 ( 12.743 -1.943 -2.360) 13.105 3.270 ( -14.915 7.126 3.053) 16.810 3.391 ( -9.233 4.042 1.548) 10.197 3.522 ( -9.322 5.946 0.737) 11.081 3.645 ( 3.700 17.280 5.114) 18.397 3.779 ( 6.438 9.105 4.204) 11.918 3.872 ( -0.151 0.409 -9.011) 9.022 4.013 ( -1.900 3.666 3.047) 5.132 4.036 ( 3.856 8.412 8.013) 12.241 4.203 ( 2.510 7.016 3.303) 8.151 4.269 ( 6.767 -4.331 -4.963) 9.444 4.399 ( -5.093 -5.531 -1.115) 7.601 4.569 ( 6.980 1.318 11.339) 13.380 4.649 ( 3.521 -6.348 -0.637) 7.287 4.772 ( -6.274 -1.198 -0.619) 6.418 4.862 ( -3.247 7.556 -8.389) 11.748 4.916 ( -0.464 -6.186 -2.390) 6.648 5.030 ( -2.870 -0.709 -1.601) 3.362 5.092 ( -1.650 -5.688 -2.718) 6.516 5.160 ( -2.900 -2.429 -0.723) 3.851 5.362 ( -0.286 -5.382 -0.106) 5.391 5.461 ( -3.856 1.562 1.821) 4.541 5.525 ( -4.343 9.391 5.628) 11.778 5.801 ( 3.213 2.665 -1.847) 4.565 5.874 ( 2.768 -2.863 -3.583) 5.357 5.928 ( 0.515 -6.316 -4.753) 7.921 5.977 ( 0.141 5.188 0.754) 5.245 6.157 ( 1.353 -2.319 -2.257) 3.508 6.234 ( 3.568 1.887 -7.970) 8.934 6.333 ( 12.459 -4.697 2.219) 13.499 6.485 ( 4.099 -2.379 6.233) 7.830 6.535 ( 3.945 -1.594 -1.471) 4.502 6.658 ( 5.048 5.121 -0.423) 7.203 6.889 ( -2.934 -0.049 -1.000) 3.100 6.974 ( 0.352 -1.916 -2.314) 3.025 7.115 ( 2.853 11.546 -2.747) 12.206 7.201 ( 6.179 1.654 6.269) 8.956 7.403 ( 4.624 17.824 4.302) 18.910 7.479 ( 1.776 4.800 -1.290) 5.278 7.641 ( 3.422 15.614 -3.297) 16.321 8.105 ( -17.769 -8.485 2.214) 19.814 8.220 ( -17.215 -9.590 0.185) 19.707 8.383 ( -1.265 4.135 3.367) 5.480 8.463 ( -1.042 6.126 6.048) 8.672 8.523 ( -1.078 13.181 -3.718) 13.738 8.606 ( -3.554 7.599 -1.588) 8.538 8.895 ( -9.225 3.925 1.620) 10.155 8.916 ( -5.031 5.725 -2.385) 7.985 9.875 ( 6.787 11.413 -0.035) 13.279 9.925 ( 6.045 12.210 2.880) 13.925 10.308 ( 0.753 12.144 0.827) 12.195 10.480 ( 5.329 9.204 -0.244) 10.638 10.567 ( 4.287 7.359 1.728) 8.690 10.684 ( 3.868 1.834 -2.098) 4.767 10.802 ( -4.129 1.853 -1.476) 4.760 10.909 ( -1.819 8.630 -3.500) 9.488 11.439 ( -2.559 -0.931 0.688) 2.809 11.678 ( -5.715 -6.428 0.628) 8.624 12.163 ( 14.193 1.448 0.860) 14.293 12.238 ( 14.174 1.468 -0.042) 14.250 12.621 ( 4.006 -2.205 2.549) 5.235 12.763 ( 0.512 -7.184 0.363) 7.211 12.811 ( -2.313 -21.348 0.304) 21.475 13.058 ( 4.396 -10.682 -1.190) 11.613 13.154 ( -5.789 -11.774 -0.989) 13.157 13.220 ( -4.626 -12.777 -0.250) 13.591 13.339 ( 1.866 -17.134 0.814) 17.255 13.504 ( 6.684 -17.330 -0.992) 18.601 13.904 ( -9.437 -13.149 1.127) 16.224 13.990 ( -6.776 -18.042 -1.491) 19.330 14.623 ( -2.401 -17.914 -0.540) 18.082 14.653 ( -3.562 -18.564 0.503) 18.909 17.107 ( -7.281 30.448 3.631) 31.517 17.382 ( -1.958 26.161 -8.108) 27.459 18.501 ( 24.412 12.767 0.637) 27.557 18.567 ( 25.294 12.666 -0.892) 28.302 19.636 ( -27.651 1.455 0.235) 27.691 19.705 ( -29.671 2.183 -0.617) 29.757 21.601 ( 4.445 -17.728 -0.610) 18.287 21.689 ( -0.186 -18.565 0.566) 18.575 22.485 ( 3.832 12.246 0.637) 12.847 22.559 ( 3.274 11.510 -0.872) 11.998 23.144 ( 5.532 5.907 1.964) 8.328 23.297 ( 4.773 4.280 -0.346) 6.420 28.401 ( -2.014 -0.526 -0.165) 2.088 28.434 ( -3.170 -1.187 0.183) 3.390 28.569 ( 0.604 -2.957 -0.073) 3.019 28.616 ( -0.324 -3.690 -0.100) 3.705 29.186 ( -4.838 15.631 4.171) 16.886 29.463 ( -3.253 16.670 -7.224) 18.457 29.938 ( 3.545 7.202 2.474) 8.400 30.021 ( 7.019 8.606 -0.582) 11.121 30.033 ( 0.638 9.932 4.828) 11.062 30.253 ( -0.319 1.381 -0.474) 1.495 30.427 ( -4.279 9.161 2.426) 10.398 30.855 ( -1.120 -2.255 1.452) 2.906 30.999 ( -4.446 -2.016 1.733) 5.180 31.026 ( 2.358 7.817 -5.825) 10.030 31.361 ( -0.213 -3.411 -0.611) 3.472 31.433 ( -1.672 -8.341 -3.135) 9.066 31.536 ( -0.436 1.060 -2.390) 2.651 31.607 ( -8.604 0.275 -15.509) 17.738 32.059 ( 7.413 -15.344 17.853) 24.680 32.647 ( 5.746 -24.668 0.306) 25.330 ======================= Grid point 101 (49/84) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -1.332 25.149 2.548) 25.313 2.642 ( -0.070 17.589 -1.179) 17.629 3.010 ( 8.852 10.473 2.925) 14.021 3.087 ( 2.659 11.659 3.993) 12.607 3.170 ( -2.631 8.778 0.633) 9.186 3.358 ( 4.392 -0.277 0.723) 4.460 3.387 ( -12.103 8.866 -4.534) 15.673 3.475 ( 7.020 -1.026 -4.983) 8.670 3.700 ( -9.447 -5.424 0.941) 10.934 3.762 ( -2.334 -9.174 2.462) 9.782 3.906 ( 4.201 1.007 -2.006) 4.763 4.025 ( 5.528 4.328 0.442) 7.035 4.224 ( 2.582 0.733 -1.826) 3.246 4.276 ( -10.073 -2.276 -6.343) 12.120 4.319 ( 2.908 5.902 3.679) 7.538 4.369 ( -0.762 4.472 3.935) 6.005 4.556 ( -6.169 -0.020 -1.842) 6.439 4.605 ( 6.645 2.390 -2.750) 7.579 4.753 ( -2.932 -3.086 -0.360) 4.272 4.899 ( -5.967 1.301 -1.206) 6.225 4.942 ( -1.415 -1.654 -1.897) 2.887 4.997 ( 2.224 -2.458 -2.466) 4.132 5.093 ( 3.848 4.616 5.265) 7.990 5.205 ( 14.400 5.154 9.991) 18.269 5.289 ( -4.808 -2.912 -2.080) 5.993 5.432 ( -0.276 -4.813 -2.968) 5.661 5.452 ( 3.798 1.967 2.764) 5.092 5.662 ( -3.022 0.014 2.160) 3.715 5.821 ( -4.842 -1.775 -3.902) 6.467 5.905 ( 1.018 -7.033 -4.038) 8.173 6.110 ( 0.034 9.644 2.977) 10.093 6.218 ( 0.027 0.749 1.288) 1.490 6.228 ( -0.606 2.367 -1.320) 2.778 6.359 ( -0.897 -2.249 -2.281) 3.326 6.471 ( -10.583 -0.251 -1.664) 10.717 6.559 ( 2.373 -7.150 -0.234) 7.537 6.648 ( -2.899 -4.501 6.364) 8.317 6.801 ( 4.912 -0.658 -4.555) 6.731 6.998 ( 5.066 -5.790 -1.308) 7.804 7.230 ( -2.121 -14.818 -4.665) 15.679 7.271 ( 6.110 -2.959 2.789) 7.340 7.441 ( -0.488 7.870 0.257) 7.889 7.545 ( 5.278 -5.434 2.435) 7.957 7.666 ( -7.030 -4.537 -0.375) 8.376 8.030 ( -0.918 19.983 0.489) 20.011 8.079 ( 1.080 16.496 -1.501) 16.600 8.453 ( -2.375 -2.001 5.021) 5.904 8.598 ( 4.610 -1.533 -0.703) 4.909 8.780 ( -4.311 14.605 1.661) 15.318 8.835 ( 1.425 13.030 -1.028) 13.148 8.932 ( 0.532 4.639 0.288) 4.679 8.999 ( 0.178 4.522 -1.787) 4.865 10.282 ( 0.575 19.003 1.049) 19.040 10.314 ( -2.598 25.075 -0.393) 25.212 10.564 ( 0.815 7.400 2.110) 7.738 10.702 ( 0.506 1.654 -1.691) 2.418 10.735 ( -1.424 6.507 0.591) 6.687 10.782 ( 4.000 6.745 -1.542) 7.992 10.862 ( -0.769 9.082 -0.020) 9.114 11.024 ( -2.613 9.051 -6.038) 11.190 11.365 ( -1.571 -4.562 6.794) 8.333 11.547 ( 2.316 -2.259 -1.646) 3.630 12.043 ( -1.535 -35.754 0.760) 35.795 12.103 ( 0.432 -35.993 -1.341) 36.020 12.494 ( 3.412 1.149 2.927) 4.640 12.591 ( -2.259 3.816 -0.856) 4.516 12.737 ( -1.020 -14.573 2.461) 14.815 12.842 ( 0.628 -9.995 -1.498) 10.127 12.873 ( 0.791 2.633 1.952) 3.372 13.052 ( -0.051 -2.787 -4.145) 4.996 13.151 ( 2.308 -7.546 2.838) 8.386 13.277 ( -3.255 -10.197 -1.864) 10.865 13.685 ( -1.150 3.677 0.726) 3.920 13.732 ( 1.465 0.818 -0.973) 1.939 14.195 ( 0.554 -17.795 0.214) 17.805 14.207 ( -0.517 -17.939 -0.241) 17.948 17.650 ( -1.116 27.688 2.951) 27.867 17.862 ( 1.643 23.211 -5.183) 23.839 18.642 ( -0.068 -21.990 1.478) 22.040 18.723 ( 0.150 -20.070 -1.554) 20.131 19.765 ( -0.519 37.239 0.692) 37.249 19.810 ( 0.485 35.791 -1.031) 35.810 21.142 ( 0.549 -28.066 0.275) 28.073 21.155 ( -0.759 -27.699 -0.199) 27.710 22.839 ( -0.020 14.301 0.468) 14.309 22.878 ( -0.073 13.625 -0.978) 13.661 23.256 ( 0.670 -3.416 1.910) 3.971 23.330 ( -0.617 -5.292 -0.987) 5.419 28.403 ( 0.243 1.754 0.101) 1.773 28.409 ( -0.204 1.443 -0.121) 1.463 28.515 ( 0.270 -3.304 0.279) 3.327 28.530 ( -0.279 -3.847 -0.285) 3.867 29.461 ( -0.824 13.943 3.367) 14.368 29.695 ( 0.667 9.575 -7.184) 11.989 30.001 ( -0.956 -2.142 6.207) 6.635 30.170 ( 2.027 -3.810 -1.949) 4.735 30.253 ( -1.215 10.078 1.037) 10.204 30.351 ( 0.667 10.658 -2.599) 10.991 30.579 ( 1.525 3.540 4.925) 6.254 30.702 ( -1.825 -6.441 0.384) 6.705 31.025 ( 0.079 4.151 0.601) 4.195 31.198 ( -1.659 6.786 -4.979) 8.578 31.242 ( -0.693 -6.333 1.516) 6.549 31.312 ( -0.390 0.132 -1.410) 1.469 31.494 ( 0.566 3.852 -2.410) 4.579 31.558 ( -0.867 3.715 -4.925) 6.230 31.959 ( 5.404 -13.555 9.295) 17.301 32.176 ( -2.614 -21.431 -1.709) 21.657 ======================= Grid point 102 (50/84) ======================= q-point: ( 0.17 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -14.576 22.260 1.567) 26.653 2.603 ( 1.418 16.642 1.188) 16.744 2.862 ( -3.752 20.836 0.220) 21.173 2.907 ( -22.157 18.254 -5.512) 29.233 3.219 ( -4.423 -1.475 -4.937) 6.791 3.255 ( -1.601 -5.801 8.873) 10.721 3.429 ( -4.730 -1.755 -7.695) 9.201 3.485 ( 5.245 -3.224 1.239) 6.281 3.594 ( 3.470 -5.242 3.116) 7.017 3.613 ( -6.858 -8.446 1.878) 11.041 3.987 ( -7.398 -0.002 0.456) 7.412 4.050 ( -7.003 5.525 0.310) 8.925 4.185 ( -1.548 -3.650 -4.730) 6.172 4.243 ( 2.354 -1.224 3.826) 4.656 4.305 ( 4.417 2.539 1.119) 5.217 4.347 ( -8.892 1.901 -1.035) 9.152 4.492 ( 5.873 4.968 3.659) 8.518 4.628 ( -10.886 -0.269 -2.897) 11.268 4.749 ( 3.635 -5.935 1.201) 7.063 4.789 ( -0.927 -9.101 -3.830) 9.918 4.947 ( 2.586 -0.630 -3.984) 4.791 4.988 ( -4.957 -0.217 0.726) 5.015 5.174 ( 5.944 -5.622 0.552) 8.200 5.193 ( 1.957 5.174 4.253) 6.978 5.324 ( -7.481 0.269 -3.196) 8.140 5.498 ( 8.008 3.996 3.878) 9.754 5.648 ( 4.216 3.318 -0.328) 5.375 5.755 ( 10.405 7.386 -1.223) 12.819 5.774 ( 7.988 -1.875 0.306) 8.211 5.961 ( 2.443 -1.216 0.271) 2.743 6.048 ( -6.759 7.153 4.022) 10.631 6.107 ( -1.877 -0.122 0.386) 1.920 6.246 ( -3.698 3.189 -1.728) 5.180 6.257 ( -12.054 -4.695 -0.518) 12.946 6.379 ( 3.604 -1.905 2.923) 5.016 6.508 ( 5.120 3.204 3.517) 6.989 6.655 ( -1.440 1.850 -2.473) 3.407 6.920 ( 7.968 -0.286 -3.598) 8.747 7.083 ( 3.029 -1.436 -4.483) 5.597 7.212 ( -6.035 0.392 -5.937) 8.475 7.331 ( 5.479 5.796 2.334) 8.310 7.477 ( -4.622 -1.582 -2.218) 5.365 7.737 ( 19.756 -8.811 2.877) 21.823 7.824 ( 13.417 -14.726 1.302) 19.964 7.981 ( -0.174 17.185 1.517) 17.252 8.044 ( -3.805 15.343 -0.476) 15.815 8.408 ( -3.280 -2.849 2.945) 5.248 8.599 ( -2.537 0.543 1.840) 3.181 8.808 ( 5.911 12.194 -2.179) 13.725 8.923 ( 6.618 10.427 1.308) 12.419 8.971 ( 2.157 5.928 0.049) 6.309 9.040 ( 3.691 4.014 -1.670) 5.703 10.194 ( -7.464 21.145 -0.034) 22.424 10.250 ( -4.611 23.638 1.799) 24.151 10.514 ( -4.915 7.346 -1.330) 8.938 10.593 ( -6.928 5.722 -0.394) 8.994 10.752 ( 3.612 5.048 -0.861) 6.266 10.836 ( -2.199 9.126 0.152) 9.388 10.905 ( 1.030 10.165 2.359) 10.486 11.012 ( 5.769 2.501 -4.723) 7.863 11.358 ( -1.975 -0.686 4.045) 4.553 11.597 ( 0.685 -6.791 -1.802) 7.059 11.920 ( -9.201 -25.508 0.954) 27.134 12.020 ( -8.135 -25.527 -0.041) 26.792 12.439 ( -6.335 -8.994 1.461) 11.098 12.474 ( -4.928 -8.236 -0.319) 9.603 12.610 ( -7.451 -10.255 3.180) 13.069 12.803 ( -5.692 -13.927 -2.198) 15.205 12.961 ( 3.023 -4.301 1.277) 5.410 13.029 ( -1.083 -2.136 -3.760) 4.458 13.189 ( -1.790 -7.190 -1.534) 7.566 13.192 ( -0.102 -7.326 2.754) 7.828 13.750 ( 5.833 3.280 0.255) 6.697 13.845 ( 7.784 1.532 -0.512) 7.949 14.270 ( 6.313 -16.413 -0.248) 17.587 14.299 ( 7.859 -15.787 0.249) 17.637 17.673 ( 2.004 25.830 2.615) 26.039 17.886 ( 3.185 21.649 -4.539) 22.348 18.488 ( -13.163 -11.713 1.626) 17.695 18.567 ( -11.783 -9.508 -1.737) 15.240 19.966 ( 17.312 27.566 0.169) 32.552 20.040 ( 19.174 25.923 -0.397) 32.246 21.180 ( 2.623 -25.403 0.210) 25.539 21.191 ( 3.023 -25.603 -0.281) 25.782 22.758 ( -6.952 14.469 0.498) 16.060 22.814 ( -4.875 12.617 -0.704) 13.545 23.206 ( -6.467 -4.766 2.191) 8.327 23.243 ( -6.818 -5.162 -1.495) 8.682 28.414 ( 0.838 1.085 -0.223) 1.389 28.421 ( 1.200 0.679 0.199) 1.393 28.515 ( -0.443 -3.476 -0.007) 3.504 28.524 ( -0.223 -3.677 -0.017) 3.684 29.492 ( 1.904 13.399 3.704) 14.031 29.704 ( 3.431 8.794 -6.193) 11.290 29.992 ( -2.386 0.728 3.143) 4.013 30.161 ( -1.690 -2.598 -1.187) 3.319 30.242 ( -0.611 8.835 2.118) 9.106 30.358 ( 1.192 11.542 -2.409) 11.851 30.604 ( -1.850 -4.466 2.281) 5.345 30.739 ( 5.020 -0.323 2.767) 5.741 31.030 ( -0.402 6.015 1.254) 6.157 31.124 ( -1.572 3.687 -3.133) 5.087 31.243 ( -0.731 -3.637 -1.628) 4.051 31.283 ( -0.547 -3.386 0.591) 3.480 31.515 ( 0.227 1.551 -2.380) 2.850 31.566 ( 4.386 7.183 -1.867) 8.621 32.029 ( -4.831 -17.610 0.302) 18.263 32.123 ( 1.072 -16.766 2.841) 17.038 ======================= Grid point 103 (51/84) ======================= q-point: ( 0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -5.710 8.469 0.148) 10.216 2.513 ( -9.486 6.912 -2.531) 12.007 2.666 ( 0.772 8.225 0.010) 8.261 2.797 ( -8.062 2.183 1.597) 8.503 3.007 ( -12.277 -7.378 -4.183) 14.922 3.212 ( -11.453 -5.382 2.951) 12.994 3.239 ( -2.054 3.590 -5.111) 6.575 3.395 ( -12.099 -4.480 -0.650) 12.918 3.630 ( 1.655 2.313 3.737) 4.696 3.690 ( 4.274 -4.520 0.839) 6.277 3.874 ( 1.655 7.333 1.962) 7.769 3.941 ( -2.835 3.241 0.977) 4.415 4.063 ( -5.713 2.396 -3.296) 7.018 4.191 ( -4.584 4.089 3.114) 6.887 4.305 ( -2.000 -0.513 -2.004) 2.877 4.325 ( -0.728 -2.834 -0.478) 2.965 4.450 ( -2.527 -0.158 -1.464) 2.925 4.589 ( 3.985 -7.385 1.159) 8.471 4.692 ( -2.920 -9.216 -1.538) 9.789 4.827 ( -1.405 1.593 1.425) 2.558 4.964 ( 3.619 -6.195 -1.589) 7.348 5.021 ( 4.798 -3.157 -0.819) 5.802 5.160 ( -4.250 -3.276 0.165) 5.369 5.240 ( 3.890 1.968 2.446) 4.999 5.504 ( 12.197 2.761 3.505) 12.988 5.591 ( 0.042 1.528 4.250) 4.516 5.756 ( 3.022 0.750 0.590) 3.170 5.782 ( -4.761 -2.002 -1.531) 5.387 5.832 ( -4.854 0.359 -0.005) 4.867 5.912 ( -0.350 3.533 -0.027) 3.551 5.986 ( -4.666 3.032 -0.368) 5.576 6.058 ( -4.649 -2.242 0.718) 5.211 6.198 ( 2.537 0.193 5.656) 6.201 6.272 ( 13.496 7.299 -4.179) 15.902 6.546 ( -2.607 13.428 -5.930) 14.909 6.576 ( 11.313 7.455 1.862) 13.675 6.673 ( 4.917 0.109 5.160) 7.129 6.892 ( -10.682 1.622 -7.471) 13.136 7.106 ( 5.745 6.445 -3.304) 9.244 7.210 ( 4.501 5.225 1.750) 7.115 7.321 ( -0.059 13.685 -2.086) 13.843 7.553 ( 4.025 7.123 0.232) 8.184 7.792 ( -5.744 15.100 -0.433) 16.161 7.929 ( -4.945 16.353 -1.848) 17.184 8.076 ( 10.312 -12.903 2.093) 16.649 8.267 ( 12.173 -12.319 1.484) 17.383 8.379 ( 1.238 -6.880 0.944) 7.054 8.587 ( 0.132 -5.560 -0.800) 5.619 8.903 ( 3.549 8.695 -2.212) 9.649 9.010 ( 1.830 8.483 2.584) 9.054 9.078 ( 5.864 8.009 1.340) 10.016 9.141 ( 7.907 0.881 -1.203) 8.046 10.077 ( -2.294 18.786 -0.443) 18.931 10.137 ( -4.705 20.925 1.439) 21.496 10.368 ( -7.746 7.017 -0.400) 10.460 10.544 ( -1.497 13.372 1.424) 13.530 10.641 ( -10.978 3.526 -0.984) 11.573 10.833 ( 1.813 10.969 -1.304) 11.194 10.905 ( -2.223 8.597 2.179) 9.144 11.091 ( -0.103 3.228 -4.507) 5.545 11.319 ( -1.894 -3.144 3.649) 5.176 11.509 ( -5.124 -7.010 -1.562) 8.822 11.739 ( -7.186 -10.212 3.793) 13.050 11.936 ( 0.714 -13.906 -1.208) 13.977 12.334 ( -3.890 -19.101 0.361) 19.496 12.431 ( -1.948 -21.834 2.122) 22.023 12.517 ( -0.803 -16.047 0.147) 16.067 12.660 ( -6.181 -16.577 -4.431) 18.238 12.939 ( -2.928 -4.735 -0.342) 5.577 12.999 ( -0.969 -6.382 0.567) 6.480 13.171 ( -0.325 -8.633 -0.114) 8.640 13.199 ( -0.381 -7.648 1.041) 7.728 13.872 ( 5.010 6.151 0.698) 7.964 13.984 ( 5.259 4.217 -0.962) 6.809 14.410 ( 5.920 -14.606 0.471) 15.767 14.454 ( 6.133 -13.573 -0.235) 14.896 17.758 ( 5.026 20.748 2.361) 21.478 17.949 ( 5.009 17.696 -3.589) 18.738 18.214 ( -13.094 1.422 1.863) 13.302 18.312 ( -10.954 1.831 -2.147) 11.311 20.368 ( 19.616 15.885 0.451) 25.246 20.473 ( 21.138 15.069 -0.488) 25.964 21.196 ( -3.060 -18.224 1.764) 18.563 21.211 ( -1.979 -15.265 -1.915) 15.512 22.640 ( -2.998 10.339 0.881) 10.801 22.724 ( -2.156 8.085 -0.937) 8.420 23.033 ( -10.148 -5.862 1.418) 11.805 23.065 ( -9.034 -5.124 -0.950) 10.429 28.436 ( 1.324 -0.263 -0.349) 1.394 28.450 ( 1.229 -0.822 0.330) 1.515 28.504 ( -0.362 -3.394 -0.301) 3.427 28.515 ( -0.840 -3.567 0.249) 3.673 29.560 ( 2.117 12.003 4.231) 12.902 29.761 ( 4.399 7.000 -4.704) 9.513 29.949 ( -2.065 5.711 0.413) 6.087 30.112 ( -2.127 0.759 -2.095) 3.080 30.233 ( -1.715 8.495 3.342) 9.289 30.368 ( 0.748 10.921 -2.361) 11.198 30.591 ( -0.375 -4.636 3.000) 5.535 30.825 ( 1.402 -1.470 -0.089) 2.034 31.030 ( 0.958 1.929 0.873) 2.324 31.126 ( 0.314 1.992 2.088) 2.903 31.213 ( -1.039 -0.963 -0.600) 1.538 31.280 ( 0.730 -3.984 -1.772) 4.420 31.547 ( 2.568 -3.102 1.277) 4.225 31.633 ( 3.390 5.830 -3.253) 7.488 31.898 ( -4.921 -13.811 -1.615) 14.750 32.139 ( -1.971 -13.431 1.549) 13.663 ======================= Grid point 104 (52/84) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 9.125 -9.426 0.904) 13.150 2.447 ( -5.438 -6.222 -2.443) 8.617 2.532 ( -1.552 -14.049 2.413) 14.339 2.639 ( 1.035 -13.344 -0.255) 13.386 2.807 ( -1.073 3.909 -0.356) 4.069 3.008 ( -7.007 2.519 0.408) 7.457 3.171 ( -0.430 11.129 -7.864) 13.634 3.343 ( 6.361 10.209 -5.484) 13.220 3.648 ( -2.781 9.147 3.008) 10.022 3.825 ( 8.137 -4.681 1.829) 9.564 3.872 ( -5.530 7.897 4.443) 10.615 3.916 ( -0.446 6.366 1.315) 6.515 3.988 ( 1.404 0.517 -0.364) 1.540 4.169 ( 0.718 8.409 2.641) 8.843 4.212 ( -2.169 -4.158 -4.891) 6.776 4.387 ( -0.877 -2.162 -1.529) 2.790 4.424 ( 0.152 -3.913 3.443) 5.214 4.664 ( 1.824 -5.557 -1.579) 6.059 4.682 ( 3.342 -11.511 3.347) 12.445 4.768 ( -1.826 6.814 2.573) 7.509 5.015 ( -3.653 -8.727 -1.557) 9.588 5.108 ( 5.636 -0.068 -0.077) 5.637 5.166 ( 5.969 -7.546 1.549) 9.746 5.301 ( -3.691 -2.012 -0.256) 4.211 5.514 ( -2.718 0.221 0.561) 2.784 5.597 ( -9.004 -1.111 -2.079) 9.308 5.670 ( 1.582 0.882 2.056) 2.740 5.710 ( -3.147 0.353 -1.007) 3.323 5.756 ( -2.807 -1.399 -2.023) 3.732 5.898 ( 0.745 -0.086 0.372) 0.837 5.936 ( 0.892 -2.695 -2.873) 4.039 5.986 ( -0.067 1.410 -0.241) 1.432 6.309 ( -4.888 6.691 6.089) 10.283 6.579 ( 12.372 7.178 1.666) 14.400 6.612 ( 0.316 4.937 1.204) 5.091 6.669 ( 1.440 12.676 1.983) 12.911 6.751 ( 2.439 4.422 1.339) 5.224 6.808 ( 10.033 6.391 4.047) 12.565 7.009 ( -6.774 6.570 -6.851) 11.662 7.214 ( -5.766 0.850 -6.681) 8.865 7.437 ( 1.360 22.082 1.099) 22.151 7.555 ( 1.491 16.149 -4.743) 16.897 7.693 ( -1.985 18.317 1.423) 18.479 7.832 ( -1.012 11.522 -3.978) 12.232 8.233 ( -1.626 -5.543 4.989) 7.632 8.308 ( 0.784 -5.582 4.437) 7.173 8.489 ( 2.198 -12.640 -3.194) 13.221 8.510 ( -5.132 -9.870 -5.464) 12.395 8.979 ( 3.028 4.451 3.043) 6.184 9.059 ( 1.065 4.608 3.825) 6.082 9.147 ( -0.678 8.453 -0.909) 8.529 9.228 ( -1.456 -1.077 -2.302) 2.929 10.093 ( 0.706 12.681 0.974) 12.738 10.159 ( -0.106 15.083 -1.226) 15.133 10.268 ( 2.932 15.842 3.165) 16.419 10.348 ( -0.894 7.286 -0.384) 7.350 10.635 ( 0.302 14.518 3.122) 14.853 10.807 ( -4.987 8.575 -2.555) 10.244 10.852 ( 1.353 7.243 -0.009) 7.368 11.041 ( 1.524 4.327 -6.036) 7.581 11.336 ( 0.097 -3.587 3.600) 5.083 11.459 ( 1.317 -4.185 -1.287) 4.573 11.705 ( -0.707 -7.362 6.923) 10.131 11.940 ( -0.325 -12.048 -2.806) 12.375 12.305 ( 0.881 -21.451 1.054) 21.495 12.391 ( -2.257 -23.602 3.714) 23.998 12.503 ( -5.694 -15.518 -5.837) 17.530 12.571 ( 5.087 -22.042 -2.997) 22.819 12.934 ( 1.912 -5.844 1.930) 6.445 12.979 ( -0.581 -6.782 -0.026) 6.807 13.176 ( 0.817 -9.880 0.514) 9.927 13.186 ( -0.844 -8.514 0.182) 8.557 13.937 ( 0.469 7.111 1.591) 7.302 14.029 ( -0.302 5.928 -1.886) 6.228 14.476 ( -0.254 -13.991 1.037) 14.032 14.520 ( 0.223 -12.876 -0.626) 12.893 17.866 ( 0.420 15.614 2.557) 15.827 18.021 ( -0.428 13.603 -3.163) 13.973 18.037 ( -0.600 8.893 1.863) 9.106 18.157 ( 0.950 7.877 -2.517) 8.324 20.642 ( 0.925 9.228 1.760) 9.440 20.743 ( -0.933 9.282 -2.096) 9.562 21.093 ( -2.833 -9.406 1.380) 9.919 21.159 ( 3.303 -6.649 -1.043) 7.497 22.645 ( -0.105 4.359 1.107) 4.499 22.718 ( 0.907 3.399 -1.807) 3.955 22.878 ( -3.189 -4.075 1.992) 5.544 22.953 ( 2.019 -5.361 -1.078) 5.829 28.454 ( -0.405 -1.037 0.024) 1.114 28.466 ( 1.084 -1.703 -0.454) 2.069 28.491 ( -1.504 -2.849 0.568) 3.271 28.509 ( 0.839 -3.706 -0.211) 3.806 29.594 ( -1.341 11.262 4.237) 12.107 29.820 ( 3.033 4.595 -3.235) 6.386 29.931 ( 0.205 7.539 -0.285) 7.547 30.060 ( -0.952 4.194 -3.720) 5.686 30.215 ( -1.532 9.591 4.013) 10.509 30.364 ( 0.204 9.956 -2.396) 10.243 30.612 ( 0.053 -3.630 4.884) 6.086 30.811 ( -1.355 -2.355 -2.883) 3.962 31.058 ( 0.090 -1.070 1.151) 1.574 31.148 ( 1.292 -1.685 4.391) 4.877 31.163 ( -1.859 1.246 -3.104) 3.826 31.325 ( 2.319 -6.459 -0.671) 6.895 31.569 ( 0.231 -1.999 0.827) 2.176 31.679 ( 1.089 5.061 -3.633) 6.324 31.882 ( 2.953 -12.120 3.995) 13.098 32.060 ( -4.447 -10.800 -3.241) 12.121 ======================= Grid point 105 (53/84) ======================= q-point: (-0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 3.623 8.825 3.083) 10.025 2.394 ( 7.545 7.957 -5.369) 12.209 2.743 ( -0.628 11.912 -0.128) 11.929 2.834 ( 1.497 3.024 2.344) 4.108 2.910 ( 9.184 -5.625 -3.907) 11.456 3.020 ( 18.657 -13.066 0.176) 22.778 3.307 ( 18.402 -4.235 -2.298) 19.023 3.471 ( 7.639 0.673 -2.298) 8.005 3.547 ( -5.887 -0.637 2.992) 6.634 3.770 ( -3.885 2.364 0.632) 4.591 3.915 ( 0.441 1.367 -1.242) 1.899 4.025 ( -1.346 3.658 6.679) 7.733 4.039 ( 8.349 2.524 3.494) 9.396 4.163 ( 2.350 1.796 -5.611) 6.343 4.255 ( -4.110 -4.428 -4.694) 7.651 4.277 ( 2.643 5.236 2.634) 6.430 4.467 ( 4.299 -0.630 -2.415) 4.971 4.656 ( -6.148 -2.728 4.590) 8.143 4.740 ( 3.928 -3.941 0.478) 5.585 4.792 ( 1.185 -4.787 -0.852) 5.004 4.985 ( -2.475 -3.870 -3.436) 5.737 5.061 ( -4.572 5.415 1.224) 7.192 5.148 ( 1.028 -5.590 -4.027) 6.966 5.292 ( -2.523 -3.289 4.224) 5.918 5.499 ( -4.041 2.402 5.902) 7.546 5.525 ( -1.540 -0.712 3.783) 4.146 5.674 ( 2.059 -1.393 -2.062) 3.231 5.728 ( 2.387 -4.052 1.601) 4.968 5.756 ( 3.690 1.882 -3.845) 5.652 5.920 ( -1.809 4.668 -1.629) 5.265 5.967 ( 3.943 -1.497 2.212) 4.763 6.056 ( 5.985 -0.728 2.320) 6.461 6.183 ( -4.668 3.281 0.023) 5.706 6.448 ( -14.662 1.229 -1.168) 14.759 6.489 ( -9.309 9.155 4.094) 13.683 6.577 ( -8.246 5.993 0.342) 10.200 6.874 ( -1.849 7.472 -10.712) 13.191 6.988 ( 7.847 5.174 0.898) 9.442 7.041 ( 4.776 6.417 0.562) 8.019 7.236 ( 10.841 1.834 0.516) 11.007 7.263 ( -13.560 13.309 -4.879) 19.616 7.481 ( -2.494 10.524 0.825) 10.847 7.802 ( 8.554 22.001 1.349) 23.644 7.874 ( 2.713 12.280 -2.658) 12.854 8.103 ( -10.875 -9.360 3.294) 14.722 8.196 ( -17.524 -18.585 -1.440) 25.585 8.392 ( 1.347 -3.026 4.637) 5.698 8.502 ( -1.555 -9.735 -3.070) 10.325 8.964 ( -6.037 10.505 -1.317) 12.187 9.046 ( -4.559 8.537 0.165) 9.679 9.069 ( -4.557 5.876 2.410) 7.817 9.134 ( -3.785 3.603 -0.861) 5.296 10.080 ( 2.454 20.562 -0.417) 20.713 10.143 ( 3.985 17.512 1.069) 17.991 10.471 ( 7.979 8.207 0.651) 11.464 10.550 ( 9.383 7.369 0.669) 11.949 10.647 ( 3.466 10.980 2.666) 11.819 10.700 ( -2.532 8.426 -3.993) 9.662 10.916 ( 1.392 3.820 0.851) 4.154 11.091 ( 4.683 7.324 -3.733) 9.461 11.372 ( 1.314 -3.992 3.448) 5.436 11.526 ( 4.828 -6.842 -1.607) 8.527 11.761 ( 4.762 -10.255 5.077) 12.394 11.900 ( -0.320 -9.804 -2.435) 10.107 12.336 ( 0.143 -24.148 1.823) 24.217 12.393 ( 0.711 -20.002 -0.297) 20.017 12.449 ( 4.685 -11.160 -0.373) 12.109 12.673 ( 6.215 -21.233 -2.824) 22.303 12.966 ( 0.346 -4.894 -0.147) 4.909 13.019 ( 3.511 -7.053 0.084) 7.880 13.173 ( -0.396 -7.913 -0.038) 7.923 13.206 ( 1.587 -7.252 1.025) 7.494 13.902 ( -4.550 4.777 1.617) 6.793 13.956 ( -5.561 5.341 -1.878) 7.936 14.412 ( -5.915 -14.280 0.489) 15.465 14.454 ( -6.232 -13.952 -0.256) 15.283 17.776 ( -6.260 20.368 2.966) 21.514 17.936 ( -3.236 17.699 -4.209) 18.478 18.207 ( 12.260 1.571 1.680) 12.474 18.315 ( 11.982 1.851 -1.949) 12.280 20.393 ( -19.992 16.152 0.852) 25.716 20.450 ( -20.551 14.739 -0.891) 25.306 21.151 ( 2.950 -16.333 0.184) 16.598 21.268 ( 2.274 -17.628 -0.346) 17.777 22.646 ( 2.661 9.620 0.994) 10.031 22.722 ( 2.362 8.677 -1.065) 9.056 22.986 ( 9.357 -3.928 0.620) 10.167 23.101 ( 9.684 -6.496 -0.129) 11.662 28.432 ( -1.273 0.003 -0.213) 1.290 28.458 ( -1.749 -1.358 0.232) 2.227 28.489 ( 1.026 -2.619 -0.154) 2.817 28.526 ( 0.655 -4.088 0.063) 4.141 29.554 ( -4.023 12.265 3.687) 13.425 29.821 ( -1.028 5.659 -6.188) 8.448 29.945 ( 0.449 3.840 3.962) 5.535 30.061 ( 2.869 4.087 -3.878) 6.323 30.221 ( 0.251 11.021 3.594) 11.595 30.357 ( 0.238 8.688 -1.950) 8.907 30.623 ( -1.727 -0.629 3.656) 4.092 30.755 ( -2.240 -5.911 -1.484) 6.493 31.052 ( -1.339 1.591 1.540) 2.587 31.134 ( 1.264 3.680 -0.580) 3.934 31.222 ( 2.662 -5.409 1.623) 6.243 31.334 ( -0.086 -6.609 -0.836) 6.662 31.601 ( 0.245 0.234 1.164) 1.212 31.653 ( 0.732 3.820 -3.762) 5.412 31.856 ( -6.613 -6.429 -2.703) 9.611 32.075 ( 5.861 -16.821 2.442) 17.979 ======================= Grid point 106 (54/84) ======================= q-point: (-0.17 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 13.094 19.072 2.453) 23.264 2.585 ( 2.534 20.572 2.219) 20.846 2.699 ( 5.576 20.979 -2.207) 21.820 2.872 ( 8.186 13.575 -4.419) 16.456 3.111 ( 15.565 0.684 -1.382) 15.641 3.330 ( 5.301 -2.345 0.665) 5.835 3.397 ( -4.047 -0.454 0.532) 4.107 3.561 ( -2.493 -3.595 1.837) 4.744 3.715 ( -0.196 -10.229 2.140) 10.452 3.791 ( 15.204 -9.939 2.247) 18.303 3.863 ( -8.568 -1.322 -4.168) 9.619 3.924 ( 2.003 -4.287 -1.886) 5.094 4.181 ( 2.186 -2.750 -0.245) 3.521 4.256 ( 6.498 11.755 3.449) 13.867 4.306 ( 1.478 1.698 -2.015) 3.021 4.361 ( 10.715 5.121 0.682) 11.895 4.481 ( -2.030 -5.863 3.151) 6.958 4.680 ( 6.465 1.128 0.004) 6.563 4.701 ( -1.268 -6.582 -3.734) 7.673 4.878 ( 4.185 -0.726 -5.384) 6.858 4.968 ( 3.770 3.266 0.798) 5.051 5.023 ( -3.852 6.927 4.833) 9.284 5.111 ( -5.860 -3.155 -3.282) 7.421 5.193 ( -12.510 2.798 0.519) 12.829 5.301 ( -6.409 6.273 2.218) 9.238 5.500 ( -4.686 1.029 0.728) 4.852 5.584 ( -8.847 -5.647 -1.320) 10.579 5.732 ( -2.019 -5.172 -0.499) 5.574 5.770 ( 1.881 -0.257 0.934) 2.116 5.960 ( 3.484 3.133 1.768) 5.008 6.072 ( 3.234 0.945 0.014) 3.369 6.122 ( 2.147 0.949 0.612) 2.426 6.241 ( 4.736 0.684 -2.062) 5.211 6.340 ( 5.638 1.503 1.236) 5.965 6.407 ( -3.909 -3.437 4.365) 6.794 6.509 ( 5.674 0.862 7.104) 9.133 6.755 ( -8.521 4.899 -4.598) 10.851 6.901 ( -8.775 1.859 -4.984) 10.262 6.967 ( -1.069 -0.047 -7.755) 7.829 7.233 ( -1.578 1.642 -1.100) 2.529 7.330 ( 7.565 6.498 1.145) 10.038 7.467 ( -10.119 -3.011 -3.772) 11.211 7.721 ( -13.682 -10.361 2.805) 17.390 7.800 ( -11.635 -8.827 2.554) 14.826 7.969 ( 6.305 19.859 0.342) 20.839 8.052 ( 0.682 8.308 0.093) 8.337 8.438 ( 0.546 -3.032 5.847) 6.609 8.498 ( 3.713 -1.088 -1.396) 4.113 8.839 ( -3.572 12.855 -2.244) 13.529 8.924 ( -6.831 14.714 1.790) 16.321 8.976 ( -4.553 3.437 -0.313) 5.713 9.054 ( -3.729 5.294 -1.382) 6.622 10.203 ( 6.864 18.806 0.072) 20.020 10.271 ( 5.604 22.594 1.952) 23.361 10.534 ( 1.211 9.347 -1.522) 9.547 10.638 ( 3.021 9.351 0.706) 9.852 10.679 ( 2.121 3.459 -1.525) 4.335 10.808 ( 5.494 5.869 -0.202) 8.041 10.874 ( -4.258 4.607 -0.190) 6.276 11.123 ( -1.735 10.194 -2.767) 10.704 11.369 ( -2.641 -4.638 5.457) 7.633 11.556 ( -0.925 -5.185 -2.670) 5.905 11.953 ( 9.222 -24.668 1.110) 26.359 12.010 ( 9.211 -22.579 -0.130) 24.386 12.369 ( 3.913 -11.326 0.754) 12.007 12.481 ( 8.208 -9.176 0.267) 12.314 12.600 ( 7.791 -8.857 2.903) 12.148 12.791 ( 5.969 -17.459 -2.103) 18.571 12.948 ( -3.149 -0.614 0.410) 3.234 13.059 ( 1.087 -5.916 -2.516) 6.520 13.148 ( -2.307 -4.433 0.666) 5.042 13.265 ( 3.351 -7.520 0.382) 8.242 13.783 ( -7.137 2.305 1.165) 7.590 13.811 ( -6.662 2.343 -1.421) 7.203 14.274 ( -6.634 -16.101 -0.324) 17.417 14.296 ( -7.659 -16.189 0.324) 17.912 17.686 ( -3.932 25.560 3.104) 26.046 17.875 ( -0.439 21.708 -5.032) 22.288 18.481 ( 12.460 -11.153 1.426) 16.784 18.571 ( 12.650 -10.011 -1.531) 16.204 19.982 ( -18.186 27.657 0.336) 33.103 20.028 ( -18.242 25.724 -0.566) 31.540 21.157 ( -1.375 -25.055 0.017) 25.093 21.223 ( -4.627 -26.315 -0.097) 26.719 22.762 ( 6.302 13.855 0.490) 15.229 22.816 ( 5.700 13.034 -0.710) 14.244 23.167 ( 6.930 -3.421 1.038) 7.798 23.273 ( 6.249 -6.025 -0.324) 8.686 28.409 ( -0.750 1.315 -0.097) 1.517 28.426 ( -1.315 0.418 0.074) 1.382 28.505 ( 0.632 -3.035 -0.013) 3.100 28.534 ( 0.089 -4.089 -0.012) 4.090 29.490 ( -3.494 13.439 3.366) 14.288 29.748 ( -1.805 8.769 -7.463) 11.656 29.978 ( -0.141 -0.868 6.427) 6.487 30.116 ( 3.862 0.595 -3.061) 4.964 30.251 ( 0.714 10.592 2.168) 10.835 30.353 ( 0.366 8.638 -1.929) 8.859 30.577 ( -2.834 3.245 1.803) 4.671 30.728 ( -1.141 -7.985 1.981) 8.306 31.030 ( -0.905 3.327 0.495) 3.483 31.188 ( 2.929 4.445 -0.053) 5.323 31.251 ( 0.430 -4.669 -0.398) 4.706 31.327 ( -0.887 -0.940 -0.749) 1.494 31.558 ( -3.030 0.710 -1.613) 3.505 31.623 ( -2.483 1.906 -9.910) 10.392 31.809 ( 3.234 -8.183 7.696) 11.689 32.180 ( 2.405 -20.258 1.441) 20.451 ======================= Grid point 107 (55/84) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 1.103 -12.845 4.481) 13.649 2.918 ( 1.103 12.845 4.481) 13.649 3.073 ( 0.406 -17.338 0.599) 17.353 3.073 ( 0.406 17.338 0.599) 17.353 3.331 ( 3.216 -4.196 -1.270) 5.437 3.331 ( 3.216 4.196 -1.270) 5.437 3.454 ( -6.386 -3.274 -0.561) 7.198 3.454 ( -6.386 3.274 -0.561) 7.198 3.635 ( -3.172 -5.524 0.637) 6.402 3.635 ( -3.172 5.524 0.637) 6.402 3.949 ( 11.135 -7.934 -3.620) 14.143 3.949 ( 11.135 7.934 -3.620) 14.143 4.219 ( -4.039 -3.497 0.531) 5.369 4.219 ( -4.039 3.497 0.531) 5.369 4.499 ( -0.823 -4.489 0.469) 4.588 4.499 ( -0.823 4.489 0.469) 4.588 4.606 ( -0.685 -10.539 -1.666) 10.692 4.606 ( -0.685 10.539 -1.666) 10.692 4.749 ( -2.172 -11.755 -8.240) 14.519 4.749 ( -2.172 11.755 -8.240) 14.519 4.958 ( 0.947 -1.421 0.190) 1.718 4.958 ( 0.947 1.421 0.190) 1.718 5.180 ( -2.259 -5.458 2.024) 6.244 5.180 ( -2.259 5.458 2.024) 6.244 5.347 ( 4.955 -4.475 4.640) 8.131 5.347 ( 4.955 4.475 4.640) 8.131 5.609 ( 2.219 -10.381 4.555) 11.551 5.609 ( 2.219 10.381 4.555) 11.551 5.784 ( -3.304 -0.950 0.056) 3.438 5.784 ( -3.304 0.950 0.056) 3.438 6.248 ( -0.254 -2.175 0.010) 2.190 6.248 ( -0.254 2.175 0.010) 2.190 6.299 ( -0.359 -5.860 -0.179) 5.874 6.299 ( -0.359 5.860 -0.179) 5.874 6.421 ( -6.235 -4.079 2.917) 8.001 6.421 ( -6.235 4.079 2.917) 8.001 6.790 ( 3.143 -17.688 -1.502) 18.028 6.790 ( 3.143 17.688 -1.502) 18.028 6.876 ( 2.527 -5.671 -6.555) 9.029 6.876 ( 2.527 5.671 -6.555) 9.029 7.387 ( 4.093 -7.016 4.351) 9.215 7.387 ( 4.093 7.016 4.351) 9.215 7.580 ( -4.017 -4.766 -2.722) 6.801 7.580 ( -4.017 4.766 -2.722) 6.801 8.337 ( -1.422 -9.509 2.806) 10.016 8.337 ( -1.422 9.509 2.806) 10.016 8.439 ( 2.579 -14.450 -1.257) 14.732 8.439 ( 2.579 14.450 -1.257) 14.732 8.945 ( -1.055 -2.071 0.062) 2.325 8.945 ( -1.055 2.071 0.062) 2.325 9.020 ( 0.142 -2.981 -0.908) 3.120 9.020 ( 0.142 2.981 -0.908) 3.120 10.593 ( 3.317 -7.378 1.382) 8.206 10.593 ( 3.317 7.378 1.382) 8.206 10.697 ( -3.867 -4.418 -2.430) 6.354 10.697 ( -3.867 4.418 -2.430) 6.354 10.913 ( -0.814 -2.354 -0.569) 2.555 10.913 ( -0.814 2.354 -0.569) 2.555 11.063 ( 2.357 -18.059 2.982) 18.454 11.063 ( 2.357 18.059 2.982) 18.455 11.412 ( -1.863 -22.866 0.373) 22.945 11.412 ( -1.863 22.866 0.373) 22.945 11.531 ( 0.125 -5.626 -2.152) 6.025 11.531 ( 0.125 5.626 -2.152) 6.025 12.529 ( 1.433 -4.712 3.019) 5.777 12.529 ( 1.433 4.712 3.019) 5.777 12.647 ( -0.702 -4.647 -1.106) 4.828 12.647 ( -0.702 4.647 -1.106) 4.828 12.977 ( 1.842 -4.228 0.417) 4.631 12.977 ( 1.842 4.228 0.417) 4.631 13.134 ( -2.152 -4.023 -1.273) 4.737 13.134 ( -2.152 4.023 -1.273) 4.737 13.872 ( -0.101 -9.213 -0.019) 9.213 13.872 ( -0.101 9.213 -0.019) 9.213 13.885 ( 0.264 -8.626 -0.004) 8.630 13.885 ( 0.264 8.626 -0.004) 8.630 18.174 ( -0.632 -23.005 1.876) 23.090 18.174 ( -0.632 23.005 1.876) 23.090 18.311 ( 0.861 -19.828 -2.667) 20.025 18.311 ( 0.861 19.828 -2.667) 20.025 20.501 ( -0.247 -33.607 0.419) 33.610 20.501 ( -0.247 33.607 0.419) 33.610 20.526 ( 0.168 -32.909 -0.487) 32.913 20.526 ( 0.168 32.909 -0.487) 32.913 23.104 ( 0.234 -10.606 0.786) 10.637 23.104 ( 0.234 10.606 0.786) 10.637 23.146 ( -0.252 -11.656 -0.689) 11.679 23.146 ( -0.252 11.656 -0.689) 11.679 28.450 ( 0.148 -1.262 -0.083) 1.274 28.450 ( 0.148 1.262 -0.083) 1.274 28.458 ( -0.137 -1.683 0.085) 1.690 28.458 ( -0.137 1.683 0.085) 1.690 29.696 ( -0.458 -8.075 0.607) 8.111 29.696 ( -0.458 8.075 0.607) 8.111 30.056 ( 0.559 -6.345 -0.846) 6.425 30.056 ( 0.559 6.345 -0.846) 6.425 30.449 ( -0.506 -7.019 0.403) 7.049 30.449 ( -0.506 7.019 0.403) 7.049 30.590 ( 0.683 -5.604 0.060) 5.645 30.590 ( 0.683 5.604 0.060) 5.645 31.110 ( 0.020 -5.046 2.295) 5.544 31.110 ( 0.020 5.046 2.295) 5.544 31.310 ( -2.205 -1.747 -3.148) 4.222 31.310 ( -2.205 1.747 -3.148) 4.222 31.604 ( 2.417 -4.190 -0.102) 4.838 31.604 ( 2.417 4.190 -0.102) 4.838 31.841 ( -0.554 -7.768 0.875) 7.837 31.841 ( -0.554 7.768 0.875) 7.837 ======================= Grid point 109 (56/84) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -10.705 -5.246 2.039) 12.094 2.863 ( -10.705 5.246 2.039) 12.094 3.050 ( -5.495 -5.683 0.976) 7.965 3.050 ( -5.495 5.683 0.976) 7.965 3.179 ( -15.295 -2.947 -0.365) 15.581 3.179 ( -15.295 2.947 -0.365) 15.581 3.418 ( -7.047 -7.402 1.160) 10.286 3.418 ( -7.047 7.402 1.160) 10.286 3.509 ( 4.998 -4.509 0.022) 6.732 3.509 ( 4.999 4.509 0.023) 6.732 3.958 ( -4.410 -4.410 -10.424) 12.147 3.958 ( -4.410 4.410 -10.424) 12.147 4.192 ( 0.615 -3.606 5.295) 6.436 4.192 ( 0.615 3.606 5.295) 6.436 4.401 ( -2.888 -1.909 2.671) 4.373 4.401 ( -2.888 1.909 2.671) 4.373 4.617 ( -3.377 -2.538 -1.860) 4.616 4.617 ( -3.377 2.538 -1.860) 4.616 4.667 ( -3.827 -1.842 -5.500) 6.949 4.667 ( -3.827 1.842 -5.500) 6.949 4.996 ( 4.301 -5.530 -0.134) 7.007 4.996 ( 4.301 5.530 -0.134) 7.007 5.098 ( -4.169 -5.547 2.985) 7.554 5.098 ( -4.169 5.547 2.985) 7.554 5.474 ( 6.040 -6.596 1.400) 9.052 5.474 ( 6.040 6.596 1.400) 9.052 5.715 ( 2.725 -3.767 1.152) 4.790 5.715 ( 2.725 3.767 1.152) 4.790 5.902 ( 8.581 -4.589 1.521) 9.849 5.902 ( 8.581 4.589 1.521) 9.849 6.102 ( -7.831 -1.462 0.411) 7.977 6.102 ( -7.831 1.462 0.411) 7.977 6.253 ( -5.503 -3.619 4.509) 7.982 6.253 ( -5.503 3.619 4.509) 7.982 6.431 ( 8.836 -5.884 2.878) 10.999 6.431 ( 8.836 5.884 2.878) 10.999 6.879 ( 3.121 -10.632 -6.560) 12.877 6.879 ( 3.121 10.632 -6.560) 12.877 7.067 ( 13.527 -8.373 -6.605) 17.225 7.067 ( 13.527 8.373 -6.605) 17.225 7.449 ( 2.074 -3.895 0.596) 4.453 7.449 ( 2.074 3.895 0.596) 4.453 7.613 ( 8.811 -3.515 2.675) 9.856 7.613 ( 8.811 3.515 2.675) 9.856 8.266 ( -5.301 -8.025 1.895) 9.802 8.266 ( -5.301 8.025 1.895) 9.802 8.440 ( -2.251 -14.247 -0.449) 14.430 8.440 ( -2.251 14.247 -0.449) 14.430 8.977 ( 4.779 -3.067 -0.459) 5.697 8.977 ( 4.779 3.067 -0.459) 5.697 9.070 ( 3.158 -1.713 -0.230) 3.600 9.070 ( 3.158 1.713 -0.230) 3.600 10.534 ( -7.089 -5.276 -1.447) 8.955 10.534 ( -7.089 5.276 -1.447) 8.955 10.691 ( -0.328 -7.935 0.702) 7.973 10.691 ( -0.328 7.935 0.702) 7.973 10.819 ( -4.856 -7.083 0.369) 8.595 10.819 ( -4.856 7.083 0.369) 8.595 11.117 ( 0.604 -2.729 0.441) 2.829 11.117 ( 0.604 2.729 0.441) 2.829 11.393 ( 0.195 -4.791 1.858) 5.142 11.393 ( 0.195 4.791 1.858) 5.142 11.556 ( 2.536 -2.746 -1.848) 4.169 11.556 ( 2.536 2.746 -1.848) 4.169 12.395 ( -12.926 -4.319 3.020) 13.959 12.395 ( -12.926 4.319 3.020) 13.959 12.520 ( -8.813 -8.732 -1.905) 12.552 12.520 ( -8.813 8.732 -1.905) 12.552 13.001 ( -0.383 -4.165 -1.533) 4.454 13.001 ( -0.383 4.165 -1.533) 4.454 13.095 ( -1.413 -2.082 1.014) 2.713 13.095 ( -1.413 2.082 1.014) 2.713 13.953 ( 7.241 -13.897 -0.042) 15.671 13.953 ( 7.241 13.897 -0.042) 15.671 14.006 ( 9.169 -12.188 -0.031) 15.252 14.006 ( 9.169 12.188 -0.031) 15.252 18.146 ( -2.748 -19.765 1.835) 20.039 18.146 ( -2.748 19.765 1.835) 20.039 18.284 ( -1.867 -16.449 -2.529) 16.747 18.284 ( -1.867 16.449 -2.529) 16.747 20.584 ( 7.567 -25.787 0.868) 26.888 20.584 ( 7.567 25.787 0.868) 26.888 20.632 ( 9.556 -24.051 -0.971) 25.898 20.632 ( 9.556 24.051 -0.971) 25.898 23.032 ( -7.302 -10.752 0.796) 13.021 23.032 ( -7.302 10.752 0.796) 13.021 23.067 ( -6.435 -10.459 -0.673) 12.298 23.067 ( -6.435 10.459 -0.673) 12.298 28.451 ( 0.053 -0.782 -0.183) 0.805 28.451 ( 0.053 0.782 -0.183) 0.805 28.457 ( -0.024 -1.216 0.172) 1.228 28.457 ( -0.024 1.216 0.172) 1.228 29.712 ( 1.524 -7.116 0.968) 7.341 29.712 ( 1.524 7.116 0.968) 7.341 30.062 ( 0.499 -5.834 -1.470) 6.037 30.062 ( 0.499 5.834 -1.470) 6.037 30.435 ( -1.055 -8.442 0.922) 8.557 30.435 ( -1.055 8.442 0.922) 8.557 30.615 ( 1.696 -9.606 -0.388) 9.763 30.615 ( 1.696 9.606 -0.388) 9.763 31.138 ( 0.936 -4.771 3.618) 6.060 31.138 ( 0.936 4.771 3.618) 6.060 31.231 ( -3.025 -3.652 -2.407) 5.318 31.231 ( -3.025 3.652 -2.407) 5.318 31.616 ( -1.079 -6.638 -2.915) 7.330 31.616 ( -1.079 6.638 -2.915) 7.330 31.862 ( 1.880 -6.837 1.823) 7.322 31.862 ( 1.880 6.837 1.823) 7.322 ======================= Grid point 111 (57/84) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -19.606 -17.653 -0.042) 26.383 2.491 ( -19.606 17.654 -0.042) 26.383 2.709 ( -21.251 -10.828 -0.830) 23.865 2.709 ( -21.251 10.828 -0.830) 23.865 3.023 ( -4.443 -10.879 6.474) 13.417 3.023 ( -4.443 10.879 6.474) 13.417 3.357 ( 0.886 -0.859 -5.672) 5.805 3.357 ( 0.886 0.859 -5.672) 5.805 3.649 ( 7.482 -2.176 -2.680) 8.241 3.649 ( 7.482 2.176 -2.680) 8.241 3.929 ( 4.236 -2.050 -4.800) 6.722 3.929 ( 4.236 2.050 -4.800) 6.722 4.200 ( -2.902 -8.091 4.964) 9.926 4.200 ( -2.902 8.091 4.964) 9.926 4.362 ( -2.879 -7.450 3.822) 8.854 4.362 ( -2.879 7.450 3.822) 8.854 4.406 ( -6.679 -3.815 -4.391) 8.857 4.406 ( -6.679 3.815 -4.391) 8.857 4.685 ( 4.060 -9.438 -1.858) 10.441 4.685 ( 4.060 9.438 -1.858) 10.441 4.992 ( -4.475 -6.928 1.580) 8.398 4.992 ( -4.475 6.928 1.580) 8.398 5.157 ( 4.942 -6.771 3.209) 8.976 5.157 ( 4.942 6.771 3.209) 8.976 5.602 ( 3.368 -4.193 2.808) 6.067 5.602 ( 3.368 4.193 2.808) 6.067 5.706 ( -3.570 -2.506 -1.455) 4.598 5.706 ( -3.570 2.506 -1.455) 4.598 5.926 ( -2.117 -3.190 -3.361) 5.094 5.926 ( -2.117 3.190 -3.361) 5.094 6.008 ( -6.162 -1.049 3.188) 7.017 6.008 ( -6.162 1.049 3.188) 7.017 6.279 ( 9.741 -4.841 5.724) 12.292 6.279 ( 9.741 4.841 5.724) 12.292 6.654 ( 5.078 -2.110 -0.953) 5.581 6.654 ( 5.078 2.110 -0.953) 5.581 6.824 ( -0.972 -8.607 -5.862) 10.459 6.824 ( -0.972 8.607 -5.862) 10.459 7.226 ( 4.512 -3.519 -0.494) 5.743 7.226 ( 4.512 3.519 -0.494) 5.743 7.664 ( 14.063 -15.815 -1.015) 21.188 7.664 ( 14.063 15.815 -1.015) 21.188 7.795 ( 7.549 -11.865 -0.135) 14.064 7.795 ( 7.549 11.865 -0.135) 14.064 8.202 ( -0.851 -6.598 2.006) 6.949 8.202 ( -0.851 6.598 2.006) 6.949 8.359 ( -5.002 -16.000 -2.119) 16.897 8.359 ( -5.002 16.000 -2.119) 16.897 9.051 ( 0.834 -4.169 1.361) 4.464 9.051 ( 0.834 4.169 1.361) 4.464 9.162 ( 6.321 -0.417 -0.141) 6.336 9.162 ( 6.321 0.417 -0.141) 6.336 10.370 ( -7.493 -7.344 -1.415) 10.587 10.370 ( -7.493 7.344 -1.415) 10.587 10.540 ( -9.481 -14.144 0.580) 17.037 10.540 ( -9.481 14.144 0.580) 17.037 10.851 ( 3.638 -10.819 1.752) 11.548 10.851 ( 3.638 10.819 1.752) 11.548 11.079 ( -2.755 -4.487 -2.893) 6.007 11.079 ( -2.755 4.487 -2.893) 6.007 11.442 ( 1.848 -12.405 4.600) 13.359 11.442 ( 1.848 12.405 4.600) 13.359 11.584 ( 1.031 -12.217 -1.669) 12.373 11.584 ( 1.031 12.217 -1.669) 12.373 12.147 ( -11.056 -3.945 3.320) 12.199 12.147 ( -11.056 3.945 3.320) 12.199 12.358 ( -4.270 -6.385 -4.272) 8.790 12.358 ( -4.270 6.385 -4.272) 8.790 12.971 ( -1.248 -4.148 -1.080) 4.464 12.971 ( -1.248 4.148 -1.080) 4.464 13.062 ( -2.253 -3.378 1.575) 4.355 13.062 ( -2.253 3.378 1.575) 4.355 14.104 ( 6.066 -13.062 0.345) 14.406 14.104 ( 6.066 13.062 0.345) 14.406 14.182 ( 6.917 -11.424 -0.346) 13.360 14.182 ( 6.917 11.424 -0.346) 13.360 18.098 ( -2.460 -11.711 1.947) 12.124 18.098 ( -2.460 11.711 1.947) 12.124 18.229 ( -1.766 -9.181 -2.470) 9.670 18.229 ( -1.766 9.181 -2.470) 9.670 20.769 ( 8.273 -19.920 1.527) 21.624 20.769 ( 8.273 19.920 1.527) 21.624 20.848 ( 10.448 -17.617 -1.646) 20.548 20.848 ( 10.448 17.617 -1.646) 20.548 22.856 ( -8.632 -8.276 0.520) 11.970 22.856 ( -8.632 8.276 0.520) 11.970 22.914 ( -7.067 -7.215 -0.393) 10.108 22.914 ( -7.067 7.215 -0.393) 10.108 28.451 ( 0.094 -0.302 -0.202) 0.376 28.451 ( 0.094 0.302 -0.202) 0.376 28.458 ( -0.037 -0.452 0.170) 0.484 28.458 ( -0.037 0.452 0.170) 0.484 29.757 ( 1.738 -6.348 1.836) 6.832 29.757 ( 1.738 6.348 1.836) 6.832 30.059 ( 0.320 -4.849 -2.709) 5.564 30.059 ( 0.320 4.849 -2.709) 5.564 30.424 ( -0.647 -8.770 2.156) 9.054 30.424 ( -0.647 8.770 2.156) 9.054 30.642 ( 1.156 -12.074 -1.537) 12.226 30.642 ( 1.156 12.074 -1.537) 12.226 31.129 ( -2.972 -3.013 2.477) 4.904 31.129 ( -2.972 3.013 2.477) 4.904 31.215 ( 1.362 -1.688 -0.953) 2.369 31.215 ( 1.362 1.688 -0.953) 2.369 31.579 ( -0.025 -6.445 -0.971) 6.518 31.579 ( -0.025 6.445 -0.971) 6.518 31.897 ( 0.350 -9.752 -0.128) 9.759 31.897 ( 0.350 9.752 -0.128) 9.759 ======================= Grid point 113 (58/84) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 2.223 -5.235 1.762) 5.954 2.287 ( 2.223 5.236 1.762) 5.954 2.443 ( -1.125 -4.578 -1.709) 5.014 2.443 ( -1.125 4.578 -1.709) 5.014 2.951 ( -4.878 -7.416 4.413) 9.913 2.951 ( -4.878 7.416 4.413) 9.913 3.352 ( 1.971 -6.221 -8.001) 10.325 3.352 ( 1.971 6.221 -8.001) 10.325 3.781 ( 6.072 -2.948 -3.946) 7.819 3.781 ( 6.072 2.948 -3.946) 7.819 3.925 ( -4.404 -5.452 -2.467) 7.430 3.925 ( -4.404 5.452 -2.467) 7.430 4.163 ( -0.850 -12.065 3.336) 12.546 4.163 ( -0.850 12.065 3.336) 12.546 4.340 ( 0.432 -4.605 -2.054) 5.060 4.340 ( 0.432 4.605 -2.054) 5.060 4.400 ( 2.940 -10.799 9.873) 14.924 4.400 ( 2.940 10.799 9.873) 14.924 4.740 ( -0.916 -11.797 -3.629) 12.376 4.740 ( -0.916 11.797 -3.629) 12.376 4.976 ( 4.294 -9.380 4.824) 11.388 4.976 ( 4.294 9.380 4.824) 11.388 5.193 ( -2.941 -6.485 -0.603) 7.147 5.193 ( -2.941 6.485 -0.603) 7.147 5.543 ( -6.855 -2.714 -1.614) 7.548 5.543 ( -6.855 2.714 -1.614) 7.548 5.681 ( 3.161 -1.964 -3.327) 4.992 5.681 ( 3.161 1.964 -3.327) 4.992 5.829 ( -3.742 -4.836 3.168) 6.886 5.829 ( -3.742 4.836 3.168) 6.886 5.966 ( 1.109 -2.826 -2.825) 4.147 5.966 ( 1.109 2.826 -2.825) 4.147 6.479 ( -4.353 -8.604 8.624) 12.936 6.479 ( -4.353 8.604 8.624) 12.936 6.739 ( 11.331 -3.081 1.172) 11.801 6.739 ( 11.331 3.081 1.172) 11.801 6.852 ( 3.396 -2.521 0.307) 4.241 6.852 ( 3.396 2.521 0.307) 4.241 7.162 ( -6.822 -5.910 -8.394) 12.326 7.162 ( -6.822 5.910 -8.394) 12.326 7.822 ( 0.133 -3.861 0.078) 3.864 7.822 ( 0.133 3.861 0.078) 3.864 7.965 ( 4.995 -14.156 1.727) 15.110 7.965 ( 4.995 14.156 1.727) 15.110 8.168 ( -6.311 -10.543 -1.229) 12.349 8.168 ( -6.311 10.543 -1.229) 12.349 8.257 ( 0.256 -11.505 -2.738) 11.830 8.257 ( 0.256 11.505 -2.738) 11.830 9.077 ( 0.879 -3.918 3.989) 5.660 9.077 ( 0.879 3.918 3.989) 5.660 9.235 ( -0.037 -0.828 -1.830) 2.009 9.235 ( -0.037 0.828 -1.830) 2.009 10.300 ( 2.777 -6.313 1.368) 7.031 10.300 ( 2.777 6.313 1.368) 7.031 10.413 ( -1.987 -5.333 -1.008) 5.780 10.413 ( -1.987 5.333 -1.008) 5.780 10.902 ( -0.488 -4.313 1.337) 4.542 10.902 ( -0.488 4.313 1.337) 4.542 11.021 ( -0.283 -8.980 -3.338) 9.584 11.021 ( -0.283 8.980 -3.338) 9.584 11.479 ( -0.597 -15.983 4.275) 16.556 11.479 ( -0.597 15.983 4.275) 16.556 11.598 ( 1.426 -17.276 -1.226) 17.378 11.598 ( 1.426 17.276 -1.226) 17.378 12.032 ( -1.567 -4.811 4.067) 6.492 12.032 ( -1.567 4.811 4.067) 6.492 12.296 ( 0.349 -1.208 -5.614) 5.753 12.296 ( 0.349 1.208 -5.614) 5.753 12.957 ( 0.396 -3.437 -0.485) 3.494 12.957 ( 0.396 3.437 -0.485) 3.494 13.042 ( 0.012 -2.717 1.402) 3.058 13.042 ( 0.012 2.717 1.402) 3.058 14.172 ( 0.081 -11.605 0.537) 11.618 14.172 ( 0.081 11.605 0.537) 11.618 14.254 ( -0.054 -10.447 -0.487) 10.458 14.254 ( -0.054 10.447 -0.487) 10.458 18.078 ( -0.370 -4.552 2.106) 5.029 18.078 ( -0.370 4.552 2.106) 5.029 18.201 ( 0.467 -3.479 -2.553) 4.340 18.201 ( 0.467 3.479 -2.553) 4.340 20.869 ( -0.521 -11.837 1.782) 11.982 20.869 ( -0.521 11.837 1.782) 11.982 20.967 ( 0.693 -11.229 -1.887) 11.407 20.967 ( 0.693 11.229 -1.887) 11.407 22.753 ( -0.455 -4.871 0.510) 4.919 22.753 ( -0.455 4.871 0.510) 4.919 22.832 ( 0.344 -4.955 -0.402) 4.983 22.832 ( 0.344 4.955 -0.402) 4.983 28.451 ( -0.068 -0.487 -0.114) 0.505 28.451 ( -0.068 0.487 -0.114) 0.505 28.458 ( 0.073 -0.828 0.074) 0.835 28.458 ( 0.073 0.828 0.074) 0.835 29.785 ( -0.335 -6.635 2.444) 7.078 29.785 ( -0.335 6.635 2.444) 7.078 30.053 ( 0.730 -3.745 -3.415) 5.120 30.053 ( 0.730 3.745 -3.415) 5.120 30.428 ( -0.333 -9.062 2.919) 9.526 30.428 ( -0.333 9.062 2.919) 9.526 30.642 ( -0.264 -11.260 -2.229) 11.482 30.642 ( -0.264 11.260 -2.229) 11.482 31.100 ( -0.711 -3.333 2.138) 4.023 31.100 ( -0.711 3.333 2.138) 4.023 31.214 ( -0.280 -3.829 -2.235) 4.442 31.214 ( -0.280 3.829 -2.235) 4.442 31.631 ( 3.724 -7.435 3.577) 9.052 31.631 ( 3.724 7.435 3.577) 9.052 31.864 ( -2.564 -8.181 -3.014) 9.088 31.864 ( -2.564 8.181 -3.014) 9.088 ======================= Grid point 115 (59/84) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 19.926 -15.762 1.059) 25.428 2.569 ( 19.926 15.762 1.059) 25.428 2.652 ( 19.287 -14.686 -2.960) 24.421 2.652 ( 19.287 14.686 -2.960) 24.421 2.929 ( 3.005 -5.403 6.401) 8.899 2.929 ( 3.005 5.403 6.401) 8.899 3.354 ( 1.504 -6.267 -4.458) 7.836 3.354 ( 1.504 6.267 -4.458) 7.836 3.742 ( -6.145 -11.509 -2.586) 13.300 3.742 ( -6.145 11.509 -2.586) 13.300 3.862 ( -2.172 -5.546 -4.436) 7.426 3.862 ( -2.172 5.546 -4.436) 7.426 4.183 ( 3.601 -4.978 3.328) 6.987 4.183 ( 3.601 4.978 3.328) 6.987 4.352 ( -1.399 -12.252 0.053) 12.332 4.352 ( -1.399 12.252 0.053) 12.332 4.517 ( 4.063 -11.490 1.869) 12.329 4.517 ( 4.063 11.490 1.869) 12.329 4.687 ( 0.671 -5.031 -2.500) 5.658 4.687 ( 0.671 5.031 -2.500) 5.658 5.031 ( -1.851 -5.873 -0.159) 6.160 5.031 ( -1.851 5.873 -0.159) 6.160 5.170 ( 1.601 -5.401 4.169) 7.008 5.170 ( 1.601 5.401 4.169) 7.008 5.509 ( 1.153 -1.236 3.093) 3.524 5.509 ( 1.153 1.236 3.093) 3.524 5.667 ( -2.003 -1.462 -3.139) 4.000 5.667 ( -2.003 1.462 -3.139) 4.000 5.851 ( 3.337 -6.156 -0.219) 7.005 5.851 ( 3.337 6.156 -0.219) 7.005 6.035 ( 6.867 -2.860 2.135) 7.739 6.035 ( 6.867 2.860 2.135) 7.739 6.315 ( -13.204 -8.554 4.108) 16.260 6.315 ( -13.204 8.554 4.108) 16.260 6.637 ( -11.667 -2.150 0.111) 11.864 6.637 ( -11.667 2.150 0.111) 11.864 6.982 ( -1.241 -3.250 -9.081) 9.725 6.982 ( -1.241 3.250 -9.081) 9.725 7.199 ( 13.712 -4.849 3.008) 14.852 7.199 ( 13.712 4.849 3.008) 14.852 7.662 ( -20.995 -20.823 -2.134) 29.647 7.662 ( -20.995 20.823 -2.134) 29.647 7.767 ( -10.530 -16.155 0.300) 19.286 7.767 ( -10.530 16.155 0.300) 19.286 8.196 ( 3.634 -10.916 2.641) 11.804 8.196 ( 3.634 10.916 2.641) 11.804 8.284 ( 3.545 -13.340 -2.149) 13.969 8.284 ( 3.545 13.340 -2.149) 13.969 9.080 ( -3.223 -1.896 0.626) 3.792 9.080 ( -3.223 1.896 0.626) 3.792 9.181 ( -3.231 -0.533 0.212) 3.282 9.181 ( -3.231 0.533 0.212) 3.282 10.405 ( 4.797 -2.155 -1.790) 5.555 10.405 ( 4.797 2.155 -1.790) 5.555 10.516 ( 11.573 -4.521 0.950) 12.461 10.516 ( 11.573 4.521 0.950) 12.461 10.869 ( -2.315 -9.362 2.314) 9.918 10.869 ( -2.315 9.362 2.314) 9.918 11.022 ( 0.985 -14.688 -2.821) 14.988 11.022 ( 0.985 14.688 -2.821) 14.988 11.477 ( -1.297 -9.351 3.570) 10.093 11.477 ( -1.297 9.351 3.570) 10.093 11.614 ( -0.199 -11.135 -1.205) 11.202 11.614 ( -0.199 11.135 -1.205) 11.202 12.115 ( 7.450 -4.732 3.260) 9.408 12.115 ( 7.450 4.732 3.260) 9.408 12.332 ( 6.496 -6.203 -4.205) 9.918 12.332 ( 6.496 6.203 -4.205) 9.918 12.974 ( 1.238 -1.701 -0.868) 2.276 12.974 ( 1.238 1.701 -0.868) 2.276 13.081 ( 2.766 -2.260 1.328) 3.810 13.081 ( 2.766 2.260 1.328) 3.810 14.112 ( -5.880 -10.967 0.437) 12.452 14.112 ( -5.880 10.967 0.437) 12.452 14.175 ( -7.129 -10.505 -0.438) 12.703 14.175 ( -7.129 10.505 -0.438) 12.703 18.103 ( 1.594 -10.943 2.155) 11.267 18.103 ( 1.594 10.943 2.155) 11.267 18.223 ( 2.867 -9.832 -2.677) 10.585 18.223 ( 2.867 9.832 -2.677) 10.585 20.767 ( -8.988 -16.754 1.391) 19.064 20.767 ( -8.988 16.754 1.391) 19.064 20.854 ( -9.594 -19.063 -1.512) 21.394 20.854 ( -9.594 19.063 -1.512) 21.394 22.845 ( 8.003 -8.421 0.403) 11.625 22.845 ( 8.003 8.421 0.403) 11.625 22.923 ( 7.640 -9.541 -0.274) 12.226 22.923 ( 7.640 9.541 -0.274) 12.226 28.448 ( -0.109 -0.662 -0.112) 0.680 28.448 ( -0.109 0.662 -0.112) 0.680 28.461 ( 0.056 -1.571 0.079) 1.574 28.461 ( 0.056 1.571 0.079) 1.574 29.767 ( -2.375 -7.922 1.964) 8.500 29.767 ( -2.375 7.922 1.964) 8.500 30.052 ( 0.691 -4.133 -2.849) 5.067 30.052 ( 0.691 4.133 -2.849) 5.067 30.440 ( 0.061 -8.082 2.564) 8.479 30.440 ( 0.061 8.082 2.564) 8.479 30.613 ( -1.198 -7.721 -1.876) 8.035 30.613 ( -1.198 7.721 -1.876) 8.035 31.109 ( -0.082 -3.783 1.747) 4.168 31.109 ( -0.082 3.783 1.747) 4.168 31.224 ( 2.740 -4.182 -0.400) 5.016 31.224 ( 2.740 4.182 -0.400) 5.016 31.694 ( -1.166 -6.567 -1.225) 6.781 31.694 ( -1.166 6.567 -1.225) 6.781 31.804 ( -0.026 -8.141 0.246) 8.145 31.804 ( -0.026 8.141 0.246) 8.145 ======================= Grid point 117 (60/84) ======================= q-point: (-0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 5.687 -8.372 1.546) 10.238 2.821 ( 5.687 8.372 1.546) 10.238 3.016 ( 10.682 -11.318 0.856) 15.586 3.016 ( 10.682 11.318 0.856) 15.586 3.190 ( 12.821 -6.327 -0.365) 14.302 3.190 ( 12.821 6.327 -0.365) 14.302 3.429 ( 6.688 -8.122 3.611) 11.124 3.429 ( 6.688 8.122 3.611) 11.124 3.644 ( -1.175 -9.437 1.923) 9.703 3.644 ( -1.175 9.437 1.923) 9.703 3.780 ( 2.711 -5.728 -10.843) 12.559 3.780 ( 2.711 5.728 -10.843) 12.559 4.262 ( -2.922 -9.606 1.304) 10.125 4.262 ( -2.922 9.606 1.304) 10.125 4.379 ( 9.420 -1.691 2.699) 9.944 4.379 ( 9.420 1.691 2.699) 9.944 4.553 ( 1.292 -8.286 -2.473) 8.743 4.553 ( 1.292 8.286 -2.473) 8.743 4.781 ( 7.407 -7.386 -3.973) 11.189 4.781 ( 7.407 7.386 -3.973) 11.189 5.015 ( -2.600 -4.685 0.377) 5.371 5.015 ( -2.600 4.685 0.377) 5.371 5.175 ( -1.753 -3.003 1.309) 3.715 5.175 ( -1.753 3.003 1.309) 3.715 5.446 ( -9.912 -3.624 1.341) 10.639 5.446 ( -9.912 3.624 1.341) 10.639 5.591 ( -3.898 -6.673 2.639) 8.167 5.591 ( -3.898 6.673 2.639) 8.167 5.880 ( -2.704 -7.471 1.204) 8.036 5.880 ( -2.704 7.471 1.204) 8.036 6.142 ( 3.091 -1.879 -0.809) 3.707 6.142 ( 3.091 1.879 -0.809) 3.707 6.257 ( 7.686 -3.602 4.875) 9.788 6.257 ( 7.686 3.602 4.875) 9.788 6.471 ( -5.006 -5.153 4.175) 8.309 6.471 ( -5.006 5.153 4.175) 8.309 6.909 ( -1.503 -4.138 -8.098) 9.217 6.909 ( -1.503 4.138 -8.098) 9.217 7.066 ( -22.321 -14.756 -6.177) 27.461 7.066 ( -22.321 14.756 -6.177) 27.461 7.405 ( -4.255 -5.410 1.277) 7.000 7.405 ( -4.255 5.410 1.277) 7.000 7.627 ( -2.146 -5.435 2.418) 6.324 7.627 ( -2.146 5.435 2.418) 6.324 8.284 ( 3.707 -8.185 2.942) 9.455 8.284 ( 3.707 8.185 2.942) 9.455 8.369 ( 4.810 -11.392 -1.428) 12.448 8.369 ( 4.810 11.392 -1.428) 12.448 8.990 ( -3.842 -2.483 -0.817) 4.647 8.990 ( -3.842 2.483 -0.817) 4.647 9.096 ( -5.243 -2.033 0.094) 5.624 9.096 ( -5.243 2.033 0.094) 5.624 10.503 ( 5.111 -6.718 -1.216) 8.528 10.503 ( 5.111 6.718 -1.216) 8.528 10.720 ( 4.745 -6.872 0.291) 8.356 10.720 ( 4.745 6.872 0.291) 8.356 10.867 ( 2.304 -5.703 0.655) 6.186 10.867 ( 2.304 5.703 0.655) 6.186 11.026 ( 0.423 -22.343 0.428) 22.351 11.026 ( 0.423 22.343 0.428) 22.351 11.455 ( -2.442 -11.679 1.990) 12.096 11.455 ( -2.442 11.679 1.990) 12.096 11.571 ( -2.390 -3.261 -2.095) 4.554 11.571 ( -2.390 3.261 -2.095) 4.554 12.345 ( 12.144 -4.961 2.280) 13.316 12.345 ( 12.144 4.961 2.280) 13.316 12.515 ( 11.126 -5.558 -1.174) 12.492 12.515 ( 11.126 5.558 -1.174) 12.492 12.979 ( -0.517 -2.348 -0.973) 2.593 12.979 ( -0.517 2.348 -0.973) 2.593 13.142 ( 1.868 -3.817 0.475) 4.276 13.142 ( 1.868 3.817 0.475) 4.276 13.964 ( -7.594 -11.316 -0.058) 13.628 13.964 ( -7.594 11.316 -0.058) 13.628 13.994 ( -8.938 -10.989 -0.016) 14.165 13.994 ( -8.938 10.989 -0.016) 14.165 18.151 ( 1.623 -19.262 2.035) 19.437 18.151 ( 1.623 19.262 2.035) 19.437 18.278 ( 3.351 -16.925 -2.729) 17.468 18.278 ( 3.351 16.925 -2.729) 17.468 20.584 ( -7.825 -22.872 0.836) 24.188 20.584 ( -7.825 22.872 0.836) 24.188 20.635 ( -9.375 -23.986 -0.940) 25.770 20.635 ( -9.375 23.986 -0.940) 25.770 23.018 ( 7.270 -10.017 0.489) 12.387 23.018 ( 7.270 10.017 0.489) 12.387 23.080 ( 6.476 -11.584 -0.365) 13.276 23.080 ( 6.476 11.584 -0.365) 13.276 28.447 ( 0.077 -1.025 -0.091) 1.032 28.447 ( 0.077 1.025 -0.091) 1.032 28.461 ( -0.094 -1.817 0.080) 1.821 28.461 ( -0.094 1.817 0.080) 1.821 29.722 ( -2.310 -8.524 1.033) 8.892 29.722 ( -2.310 8.524 1.033) 8.892 30.052 ( 0.412 -5.721 -1.528) 5.936 30.052 ( 0.412 5.721 -1.528) 5.936 30.451 ( -0.035 -6.363 1.083) 6.455 30.451 ( -0.035 6.363 1.083) 6.455 30.588 ( -0.446 -5.029 -0.523) 5.076 30.588 ( -0.446 5.029 -0.523) 5.076 31.108 ( -0.632 -4.624 1.800) 5.002 31.108 ( -0.632 4.624 1.800) 5.002 31.304 ( 3.713 -3.044 -0.237) 4.807 31.304 ( 3.713 3.044 -0.237) 4.807 31.608 ( -2.845 -4.034 -3.676) 6.155 31.608 ( -2.845 4.034 -3.676) 6.155 31.838 ( 0.680 -11.706 2.197) 11.929 31.838 ( 0.680 11.706 2.197) 11.929 ======================= Grid point 143 (61/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 4.716 0.000 -21.346) 21.861 1.145 ( -4.716 0.000 21.346) 21.861 1.323 ( 5.866 0.000 -25.439) 26.107 1.323 ( -5.866 0.000 25.439) 26.107 2.215 ( 2.891 0.000 -43.195) 43.292 2.215 ( -2.891 0.000 43.195) 43.292 3.152 ( 1.472 0.000 -10.432) 10.535 3.152 ( -1.472 0.000 10.432) 10.535 3.243 ( -1.426 0.000 -0.557) 1.531 3.243 ( 1.426 0.000 0.557) 1.531 3.509 ( 0.764 0.000 -10.134) 10.163 3.509 ( -0.764 0.000 10.134) 10.163 3.703 ( -2.648 0.000 -2.933) 3.951 3.703 ( 2.648 0.000 2.933) 3.951 4.239 ( -9.453 0.000 1.908) 9.644 4.239 ( 9.453 0.000 -1.908) 9.644 4.484 ( 2.969 0.000 -8.299) 8.814 4.484 ( -2.969 0.000 8.299) 8.814 4.906 ( -0.684 0.000 -1.399) 1.557 4.906 ( 0.684 0.000 1.399) 1.557 5.233 ( -3.931 0.000 -2.234) 4.521 5.233 ( 3.931 0.000 2.234) 4.521 5.307 ( -2.199 0.000 -8.827) 9.097 5.307 ( 2.199 0.000 8.827) 9.097 5.352 ( -2.710 0.000 -1.425) 3.062 5.352 ( 2.710 0.000 1.425) 3.062 5.750 ( 9.478 0.000 -4.682) 10.572 5.750 ( -9.478 0.000 4.682) 10.572 5.899 ( -3.371 0.000 -11.506) 11.989 5.899 ( 3.371 0.000 11.506) 11.989 5.993 ( 5.460 0.000 -2.594) 6.045 5.993 ( -5.460 0.000 2.594) 6.045 6.244 ( -1.504 0.000 -2.928) 3.291 6.244 ( 1.504 0.000 2.928) 3.291 6.439 ( -2.351 0.000 -4.504) 5.081 6.439 ( 2.351 0.000 4.504) 5.081 6.792 ( -5.964 0.000 -6.901) 9.121 6.792 ( 5.964 0.000 6.901) 9.121 6.995 ( 4.933 0.000 -5.241) 7.197 6.995 ( -4.933 0.000 5.241) 7.197 7.356 ( -9.724 0.000 -17.128) 19.696 7.356 ( 9.724 0.000 17.128) 19.696 7.785 ( 5.983 0.000 -4.912) 7.741 7.785 ( -5.983 0.000 4.912) 7.741 8.080 ( -3.745 0.000 1.222) 3.939 8.080 ( 3.745 0.000 -1.222) 3.939 8.171 ( -13.452 0.000 -10.014) 16.770 8.171 ( 13.452 0.000 10.014) 16.770 8.457 ( 2.187 0.000 -8.328) 8.611 8.457 ( -2.187 0.000 8.328) 8.611 9.259 ( -5.490 0.000 0.702) 5.534 9.259 ( 5.490 0.000 -0.702) 5.534 9.538 ( -16.342 0.000 4.752) 17.019 9.538 ( 16.342 0.000 -4.752) 17.019 9.749 ( -1.048 0.000 -3.377) 3.536 9.749 ( 1.048 0.000 3.377) 3.536 10.721 ( 3.876 0.000 -3.735) 5.383 10.721 ( -3.876 0.000 3.735) 5.383 10.975 ( 1.306 0.000 -3.165) 3.424 10.975 ( -1.306 0.000 3.165) 3.424 11.423 ( -10.325 0.000 -1.024) 10.376 11.423 ( 10.325 0.000 1.024) 10.376 11.489 ( -0.324 0.000 -0.880) 0.937 11.489 ( 0.324 0.000 0.880) 0.937 13.085 ( -10.252 0.000 -0.527) 10.266 13.085 ( 10.252 0.000 0.527) 10.266 13.129 ( -15.432 0.000 1.926) 15.551 13.129 ( 15.432 0.000 -1.926) 15.551 13.803 ( -10.511 0.000 -0.319) 10.516 13.803 ( 10.511 0.000 0.319) 10.516 13.887 ( -6.605 0.000 0.376) 6.616 13.887 ( 6.605 0.000 -0.376) 6.616 14.535 ( 1.007 0.000 -2.865) 3.037 14.535 ( -1.007 0.000 2.865) 3.037 15.646 ( -1.446 0.000 -0.454) 1.516 15.646 ( 1.446 0.000 0.454) 1.516 15.708 ( -0.049 0.000 -1.101) 1.102 15.708 ( 0.049 0.000 1.101) 1.102 17.507 ( -2.975 0.000 -0.472) 3.013 17.507 ( 2.975 0.000 0.472) 3.013 20.519 ( -0.290 0.000 -2.874) 2.888 20.519 ( 0.290 0.000 2.874) 2.888 22.090 ( -6.836 0.000 0.266) 6.841 22.090 ( 6.836 0.000 -0.266) 6.841 22.152 ( -1.178 0.000 -1.581) 1.972 22.152 ( 1.178 0.000 1.581) 1.972 22.531 ( -2.576 0.000 0.208) 2.585 22.531 ( 2.576 0.000 -0.208) 2.585 28.415 ( -2.158 0.000 0.492) 2.213 28.415 ( 2.158 0.000 -0.492) 2.213 28.562 ( -0.044 0.000 -0.163) 0.169 28.562 ( 0.044 0.000 0.163) 0.169 28.732 ( -3.325 0.000 0.619) 3.382 28.732 ( 3.325 0.000 -0.619) 3.382 28.909 ( -0.370 0.000 -0.051) 0.374 28.909 ( 0.370 0.000 0.051) 0.374 29.794 ( -6.026 0.000 -1.474) 6.204 29.794 ( 6.026 0.000 1.474) 6.204 30.214 ( 4.879 0.000 -5.830) 7.603 30.214 ( -4.879 0.000 5.830) 7.603 30.866 ( -1.448 0.000 -1.229) 1.899 30.866 ( 1.448 0.000 1.229) 1.899 31.424 ( 0.471 0.000 -8.905) 8.918 31.424 ( -0.471 0.000 8.905) 8.918 31.666 ( 1.059 0.000 -7.423) 7.498 31.666 ( -1.059 0.000 7.423) 7.498 34.086 ( 2.679 0.000 -4.971) 5.647 34.086 ( -2.679 0.000 4.971) 5.647 ======================= Grid point 145 (62/84) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 17.929 0.000 6.093) 18.936 1.471 ( 27.057 0.000 -20.912) 34.196 1.591 ( 15.252 0.000 23.174) 27.743 1.637 ( 29.421 0.000 -7.470) 30.355 2.134 ( 15.005 0.000 -29.471) 33.071 2.296 ( -1.882 0.000 16.883) 16.988 2.959 ( -15.431 0.000 10.332) 18.571 3.061 ( -6.581 0.000 -7.966) 10.333 3.308 ( 3.373 0.000 -5.052) 6.074 3.466 ( 6.448 0.000 -6.440) 9.113 3.517 ( 1.917 0.000 4.825) 5.191 3.579 ( 11.444 0.000 2.153) 11.644 3.734 ( -2.120 0.000 6.068) 6.427 3.789 ( 16.014 0.000 6.304) 17.210 4.227 ( 8.485 0.000 1.412) 8.602 4.411 ( 5.431 0.000 7.341) 9.132 4.507 ( 2.450 0.000 -8.945) 9.275 4.518 ( 1.793 0.000 4.424) 4.774 4.909 ( -1.306 0.000 -9.269) 9.361 4.966 ( 6.471 0.000 -1.136) 6.570 5.059 ( -7.930 0.000 0.490) 7.945 5.122 ( -6.421 0.000 -4.255) 7.703 5.268 ( -1.470 0.000 -3.382) 3.687 5.338 ( -7.418 0.000 2.181) 7.732 5.340 ( -1.149 0.000 4.992) 5.122 5.541 ( 9.424 0.000 6.270) 11.319 5.556 ( 0.742 0.000 0.673) 1.002 5.685 ( -8.853 0.000 -6.210) 10.814 5.826 ( -1.553 0.000 -1.563) 2.203 5.866 ( -3.724 0.000 7.942) 8.772 6.063 ( -0.799 0.000 3.234) 3.332 6.081 ( 1.182 0.000 -0.821) 1.439 6.243 ( 1.728 0.000 -1.882) 2.555 6.290 ( -1.505 0.000 0.344) 1.544 6.467 ( 3.282 0.000 -0.034) 3.282 6.531 ( 4.290 0.000 3.288) 5.405 6.618 ( -2.677 0.000 -4.166) 4.952 6.798 ( -6.702 0.000 6.601) 9.406 7.010 ( -21.952 0.000 -12.005) 25.020 7.025 ( 2.787 0.000 1.243) 3.052 7.117 ( 7.540 0.000 -4.505) 8.784 7.312 ( -22.184 0.000 -7.404) 23.387 7.491 ( -19.771 0.000 2.089) 19.881 7.602 ( -13.923 0.000 15.052) 20.504 7.871 ( 3.752 0.000 -4.709) 6.021 7.893 ( -2.516 0.000 4.229) 4.921 8.061 ( -10.674 0.000 3.661) 11.284 8.273 ( -10.590 0.000 -7.359) 12.896 8.434 ( -0.428 0.000 -7.640) 7.652 8.446 ( -3.212 0.000 8.566) 9.148 9.195 ( -15.416 0.000 5.456) 16.353 9.429 ( 19.045 0.000 -0.335) 19.048 9.493 ( 15.914 0.000 -0.332) 15.917 9.580 ( -13.062 0.000 -9.017) 15.872 9.860 ( 12.838 0.000 -0.716) 12.858 9.990 ( 13.741 0.000 1.480) 13.820 10.570 ( -13.316 0.000 -4.388) 14.021 10.630 ( -5.356 0.000 2.648) 5.975 10.908 ( -6.108 0.000 -2.859) 6.743 10.916 ( -6.195 0.000 3.136) 6.943 11.431 ( 10.757 0.000 2.232) 10.986 11.536 ( 5.979 0.000 -1.258) 6.110 11.552 ( 6.478 0.000 0.549) 6.502 11.686 ( 13.727 0.000 0.632) 13.742 12.838 ( -11.928 0.000 -5.112) 12.978 12.872 ( -12.182 0.000 4.226) 12.895 13.408 ( 15.716 0.000 6.752) 17.105 13.411 ( 7.208 0.000 -4.293) 8.390 13.719 ( 0.735 0.000 1.441) 1.618 13.820 ( 2.762 0.000 -0.613) 2.829 14.148 ( 17.884 0.000 1.829) 17.977 14.181 ( 20.524 0.000 -3.295) 20.786 14.589 ( 4.568 0.000 0.878) 4.652 14.591 ( 4.343 0.000 -0.707) 4.400 15.553 ( -6.695 0.000 0.611) 6.723 15.583 ( -6.219 0.000 -0.404) 6.232 15.792 ( 8.347 0.000 0.657) 8.373 15.794 ( 8.640 0.000 1.061) 8.705 17.339 ( -12.374 0.000 0.266) 12.376 17.435 ( -10.113 0.000 0.168) 10.114 20.596 ( 9.294 0.000 -0.987) 9.346 20.603 ( 7.041 0.000 0.121) 7.042 21.879 ( -11.031 0.000 0.910) 11.068 21.981 ( -9.683 0.000 -0.793) 9.715 22.200 ( 0.992 0.000 0.846) 1.304 22.243 ( 2.656 0.000 -0.278) 2.670 22.491 ( -1.788 0.000 1.889) 2.601 22.564 ( -0.395 0.000 0.584) 0.705 28.542 ( 1.416 0.000 -0.787) 1.620 28.555 ( 0.995 0.000 0.199) 1.015 28.597 ( 11.120 0.000 3.762) 11.739 28.598 ( 5.375 0.000 -2.054) 5.754 28.898 ( 3.177 0.000 -1.498) 3.512 28.906 ( 0.052 0.000 -0.003) 0.052 29.017 ( 22.091 0.000 -10.824) 24.601 29.057 ( 30.136 0.000 16.399) 34.309 29.599 ( -11.806 0.000 -0.841) 11.836 29.854 ( -0.789 0.000 5.191) 5.251 30.118 ( -6.953 0.000 6.791) 9.719 30.244 ( 1.188 0.000 -6.166) 6.279 30.896 ( 4.174 0.000 -1.136) 4.326 30.985 ( 8.784 0.000 2.348) 9.093 31.397 ( 1.543 0.000 -8.207) 8.350 31.463 ( -0.140 0.000 7.413) 7.415 31.722 ( 8.737 0.000 -8.225) 12.000 31.752 ( 5.552 0.000 8.302) 9.987 33.726 ( -28.498 0.000 -8.582) 29.762 33.840 ( -21.538 0.000 -1.323) 21.579 ======================= Grid point 146 (63/84) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 0.416 0.000 14.322) 14.328 1.748 ( 11.310 0.000 -15.232) 18.972 2.005 ( 13.458 0.000 14.701) 19.930 2.102 ( 22.147 0.000 -14.410) 26.422 2.440 ( 2.803 0.000 -1.561) 3.208 2.558 ( 18.913 0.000 2.515) 19.080 2.746 ( -14.192 0.000 -9.976) 17.348 2.801 ( -4.556 0.000 12.538) 13.340 3.324 ( 10.441 0.000 -2.245) 10.680 3.478 ( 11.577 0.000 -9.831) 15.188 3.725 ( 12.261 0.000 -0.463) 12.269 3.907 ( 13.125 0.000 1.843) 13.254 3.907 ( 10.224 0.000 7.302) 12.563 4.192 ( 5.116 0.000 8.601) 10.008 4.401 ( 5.176 0.000 0.555) 5.205 4.513 ( 0.426 0.000 1.064) 1.146 4.557 ( 8.903 0.000 -7.418) 11.589 4.562 ( 6.290 0.000 0.056) 6.290 4.830 ( 2.728 0.000 -0.688) 2.813 4.856 ( -10.545 0.000 -4.413) 11.431 4.970 ( -3.401 0.000 2.021) 3.957 5.047 ( -0.535 0.000 -3.847) 3.884 5.151 ( -4.762 0.000 -5.427) 7.220 5.258 ( -9.933 0.000 -1.963) 10.125 5.384 ( 5.264 0.000 7.025) 8.778 5.471 ( -5.358 0.000 1.244) 5.501 5.663 ( 4.690 0.000 3.836) 6.059 5.743 ( 6.312 0.000 0.231) 6.316 5.776 ( -4.052 0.000 0.799) 4.131 5.840 ( -1.270 0.000 2.424) 2.737 5.965 ( -18.776 0.000 1.286) 18.820 6.044 ( -4.851 0.000 -0.483) 4.875 6.167 ( -5.843 0.000 4.641) 7.462 6.260 ( 0.276 0.000 0.786) 0.834 6.397 ( 1.035 0.000 -0.102) 1.040 6.433 ( -12.440 0.000 -6.456) 14.016 6.589 ( -1.954 0.000 1.515) 2.473 6.617 ( -17.905 0.000 -0.954) 17.930 6.770 ( 4.961 0.000 2.165) 5.413 6.979 ( -10.783 0.000 6.585) 12.635 7.035 ( -2.827 0.000 0.233) 2.836 7.070 ( -0.049 0.000 -10.858) 10.858 7.244 ( 1.409 0.000 -2.898) 3.222 7.440 ( -12.419 0.000 1.765) 12.544 7.843 ( -0.956 0.000 6.655) 6.723 7.941 ( 4.669 0.000 -5.553) 7.255 8.015 ( 0.726 0.000 6.056) 6.099 8.048 ( -4.592 0.000 -8.627) 9.773 8.366 ( -1.710 0.000 -7.813) 7.998 8.402 ( -5.395 0.000 7.814) 9.496 8.988 ( -7.552 0.000 7.581) 10.700 9.201 ( -15.778 0.000 -7.766) 17.586 9.834 ( 17.151 0.000 -0.583) 17.161 9.865 ( 16.118 0.000 -0.764) 16.136 10.061 ( 7.952 0.000 -0.136) 7.953 10.112 ( 4.416 0.000 -3.739) 5.787 10.389 ( -4.271 0.000 0.587) 4.311 10.537 ( -3.788 0.000 0.266) 3.797 10.700 ( -12.452 0.000 -2.677) 12.737 10.748 ( -11.204 0.000 3.435) 11.719 11.647 ( 10.271 0.000 0.452) 10.281 11.704 ( 9.813 0.000 -1.028) 9.867 11.787 ( 10.826 0.000 1.819) 10.978 11.928 ( 6.605 0.000 0.410) 6.618 12.597 ( -6.473 0.000 -7.066) 9.583 12.657 ( -10.216 0.000 5.876) 11.785 13.401 ( -1.896 0.000 -4.426) 4.815 13.512 ( -6.531 0.000 7.763) 10.145 13.890 ( 11.004 0.000 1.652) 11.127 13.952 ( 7.593 0.000 -1.054) 7.665 14.467 ( 7.300 0.000 0.148) 7.302 14.484 ( 9.184 0.000 0.423) 9.194 14.669 ( 3.479 0.000 4.508) 5.694 14.687 ( 5.791 0.000 -3.265) 6.648 15.404 ( -7.436 0.000 1.097) 7.517 15.427 ( -7.731 0.000 -0.988) 7.794 16.081 ( 17.764 0.000 -1.231) 17.807 16.082 ( 17.462 0.000 4.659) 18.073 17.040 ( -16.119 0.000 1.002) 16.150 17.134 ( -17.603 0.000 -0.979) 17.630 20.810 ( 12.940 0.000 -1.886) 13.076 20.856 ( 14.107 0.000 0.654) 14.123 21.650 ( -11.127 0.000 -0.730) 11.151 21.741 ( -12.838 0.000 -0.036) 12.839 22.211 ( 0.083 0.000 0.733) 0.738 22.249 ( -0.995 0.000 -0.506) 1.116 22.478 ( -0.521 0.000 2.412) 2.467 22.531 ( -1.788 0.000 -1.515) 2.344 28.549 ( 0.102 0.000 0.022) 0.105 28.554 ( -0.105 0.000 -0.213) 0.237 28.728 ( 8.611 0.000 -4.451) 9.693 28.810 ( 4.457 0.000 3.844) 5.886 28.915 ( 1.409 0.000 -0.283) 1.437 28.972 ( 6.473 0.000 2.976) 7.124 29.336 ( -10.996 0.000 -1.744) 11.134 29.464 ( -2.468 0.000 4.461) 5.098 29.495 ( 26.081 0.000 -16.579) 30.905 29.974 ( 4.554 0.000 18.238) 18.798 30.023 ( -5.013 0.000 13.792) 14.674 30.217 ( 0.337 0.000 -8.789) 8.795 30.997 ( 5.511 0.000 -0.368) 5.523 31.139 ( 1.970 0.000 1.320) 2.372 31.433 ( 4.536 0.000 -3.282) 5.599 31.485 ( -0.928 0.000 5.683) 5.758 31.974 ( 11.105 0.000 10.166) 15.056 31.989 ( 20.804 0.000 -3.496) 21.096 33.059 ( -24.270 0.000 -20.879) 32.016 33.315 ( -28.258 0.000 2.714) 28.388 ======================= Grid point 147 (64/84) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -1.859 0.000 -7.785) 8.004 1.780 ( 1.859 0.000 7.785) 8.004 2.279 ( -11.150 0.000 3.318) 11.633 2.279 ( 11.150 0.000 -3.318) 11.633 2.468 ( 16.453 0.000 -13.326) 21.172 2.468 ( -16.453 0.000 13.326) 21.172 2.718 ( -5.687 0.000 1.432) 5.865 2.718 ( 5.687 0.000 -1.432) 5.865 3.743 ( -6.331 0.000 0.486) 6.350 3.743 ( 6.331 0.000 -0.486) 6.350 3.961 ( -8.477 0.000 -3.161) 9.047 3.961 ( 8.477 0.000 3.161) 9.047 4.045 ( 6.316 0.000 -7.030) 9.451 4.045 ( -6.316 0.000 7.030) 9.451 4.341 ( -1.421 0.000 -5.229) 5.418 4.341 ( 1.421 0.000 5.229) 5.418 4.668 ( 4.228 0.000 -6.185) 7.492 4.668 ( -4.228 0.000 6.185) 7.492 4.928 ( 4.230 0.000 -2.135) 4.738 4.928 ( -4.230 0.000 2.135) 4.738 4.963 ( -4.985 0.000 -8.655) 9.988 4.963 ( 4.985 0.000 8.655) 9.988 5.205 ( -13.582 0.000 1.027) 13.621 5.205 ( 13.582 0.000 -1.027) 13.621 5.460 ( -0.879 0.000 -2.934) 3.063 5.460 ( 0.879 0.000 2.934) 3.063 5.538 ( -10.999 0.000 1.874) 11.157 5.538 ( 10.999 0.000 -1.874) 11.157 5.778 ( -1.849 0.000 -3.091) 3.602 5.778 ( 1.849 0.000 3.091) 3.602 5.889 ( -5.544 0.000 -0.910) 5.618 5.889 ( 5.544 0.000 0.910) 5.618 6.262 ( -6.242 0.000 -4.550) 7.724 6.262 ( 6.242 0.000 4.550) 7.724 6.290 ( -0.117 0.000 -2.996) 2.998 6.290 ( 0.117 0.000 2.996) 2.998 6.521 ( -6.451 0.000 -0.690) 6.488 6.521 ( 6.451 0.000 0.690) 6.488 6.858 ( -4.514 0.000 -2.125) 4.990 6.858 ( 4.514 0.000 2.125) 4.990 7.072 ( 0.382 0.000 -6.254) 6.265 7.072 ( -0.382 0.000 6.254) 6.265 7.242 ( 4.603 0.000 -2.439) 5.209 7.242 ( -4.603 0.000 2.439) 5.209 7.916 ( -2.347 0.000 -7.786) 8.132 7.916 ( 2.347 0.000 7.786) 8.132 8.032 ( 2.832 0.000 -4.405) 5.236 8.032 ( -2.832 0.000 4.405) 5.236 8.331 ( 3.380 0.000 -7.552) 8.274 8.331 ( -3.380 0.000 7.552) 8.274 8.968 ( -2.713 0.000 -6.582) 7.119 8.968 ( 2.713 0.000 6.582) 7.119 9.994 ( 0.061 0.000 -1.068) 1.069 9.994 ( -0.061 0.000 1.068) 1.069 10.268 ( -9.659 0.000 -0.638) 9.680 10.268 ( 9.659 0.000 0.638) 9.680 10.362 ( -16.278 0.000 -0.347) 16.282 10.362 ( 16.278 0.000 0.347) 16.282 10.562 ( 5.875 0.000 -4.112) 7.171 10.562 ( -5.875 0.000 4.112) 7.171 11.844 ( -1.416 0.000 -0.806) 1.629 11.844 ( 1.416 0.000 0.806) 1.629 11.894 ( -4.564 0.000 0.541) 4.596 11.894 ( 4.564 0.000 -0.541) 4.596 12.548 ( 3.946 0.000 -7.495) 8.470 12.548 ( -3.946 0.000 7.495) 8.470 13.400 ( 5.125 0.000 -5.106) 7.234 13.400 ( -5.125 0.000 5.106) 7.234 14.031 ( -0.848 0.000 -1.374) 1.615 14.031 ( 0.848 0.000 1.374) 1.615 14.523 ( -0.459 0.000 -1.602) 1.666 14.523 ( 0.459 0.000 1.602) 1.666 14.763 ( 0.418 0.000 -3.584) 3.609 14.763 ( -0.418 0.000 3.584) 3.609 15.319 ( -0.441 0.000 -0.863) 0.970 15.319 ( 0.441 0.000 0.863) 0.970 16.355 ( 2.420 0.000 -4.333) 4.963 16.355 ( -2.420 0.000 4.333) 4.963 16.833 ( -3.580 0.000 -1.364) 3.831 16.833 ( 3.580 0.000 1.364) 3.831 21.020 ( 3.630 0.000 -1.750) 4.030 21.020 ( -3.630 0.000 1.750) 4.030 21.527 ( -4.268 0.000 1.288) 4.459 21.527 ( 4.268 0.000 -1.288) 4.459 22.223 ( -0.863 0.000 -0.617) 1.061 22.223 ( 0.863 0.000 0.617) 1.061 22.493 ( -0.776 0.000 -2.369) 2.493 22.493 ( 0.776 0.000 2.369) 2.493 28.551 ( -0.069 0.000 -0.214) 0.225 28.551 ( 0.069 0.000 0.214) 0.225 28.836 ( 2.269 0.000 -2.460) 3.346 28.836 ( -2.269 0.000 2.460) 3.346 29.007 ( 8.172 0.000 -3.845) 9.031 29.007 ( -8.172 0.000 3.845) 9.031 29.293 ( -9.986 0.000 1.141) 10.051 29.293 ( 9.986 0.000 -1.141) 10.051 29.850 ( 15.042 0.000 -12.712) 19.695 29.850 ( -15.042 0.000 12.712) 19.695 30.163 ( -0.234 0.000 -16.074) 16.076 30.163 ( 0.234 0.000 16.074) 16.076 31.101 ( -4.190 0.000 -0.591) 4.231 31.101 ( 4.190 0.000 0.591) 4.231 31.483 ( 1.850 0.000 -3.809) 4.235 31.483 ( -1.850 0.000 3.809) 4.235 32.248 ( -5.433 0.000 -6.368) 8.371 32.248 ( 5.433 0.000 6.368) 8.371 32.810 ( 17.426 0.000 -10.765) 20.483 32.810 ( -17.426 0.000 10.765) 20.483 ======================= Grid point 151 (65/84) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.004 24.058 -19.151) 30.750 1.414 ( -0.004 24.058 19.151) 30.750 1.634 ( 7.107 19.814 -23.179) 31.311 1.634 ( -7.107 19.814 23.179) 31.311 2.287 ( 1.855 9.927 -31.556) 33.132 2.287 ( -1.855 9.927 31.556) 33.132 3.208 ( -0.855 6.469 -7.304) 9.794 3.208 ( 0.855 6.469 7.304) 9.794 3.322 ( 3.242 7.164 -5.531) 9.614 3.322 ( -3.242 7.164 5.531) 9.614 3.520 ( -1.128 4.459 -8.145) 9.354 3.520 ( 1.128 4.459 8.145) 9.354 3.825 ( -2.269 6.928 -4.456) 8.544 3.825 ( 2.269 6.928 4.456) 8.544 4.232 ( -6.236 3.024 -8.957) 11.325 4.232 ( 6.236 3.024 8.957) 11.325 4.623 ( 6.451 4.715 -8.360) 11.565 4.623 ( -6.451 4.715 8.360) 11.565 4.977 ( 0.416 8.842 -4.077) 9.746 4.977 ( -0.416 8.842 4.077) 9.746 5.066 ( -6.865 -9.710 -2.979) 12.259 5.066 ( 6.865 -9.710 2.979) 12.259 5.267 ( -0.065 -3.205 -0.836) 3.312 5.267 ( 0.065 -3.205 0.836) 3.312 5.438 ( 2.528 2.812 -3.931) 5.454 5.438 ( -2.528 2.812 3.931) 5.454 5.688 ( -12.307 -4.503 1.244) 13.164 5.688 ( 12.307 -4.503 -1.244) 13.164 5.874 ( -0.520 -3.248 -7.801) 8.466 5.874 ( 0.520 -3.248 7.801) 8.466 5.960 ( 3.109 -2.210 -3.874) 5.437 5.960 ( -3.109 -2.210 3.874) 5.437 6.259 ( -3.688 -0.091 -1.238) 3.892 6.259 ( 3.688 -0.091 1.238) 3.892 6.483 ( -3.807 5.143 -3.998) 7.545 6.483 ( 3.807 5.143 3.998) 7.545 6.836 ( -9.611 3.781 -3.420) 10.880 6.836 ( 9.611 3.781 3.420) 10.880 7.022 ( 6.079 3.143 -3.431) 7.656 7.022 ( -6.079 3.143 3.431) 7.656 7.266 ( -4.193 -8.337 -14.106) 16.914 7.266 ( 4.193 -8.337 14.106) 16.914 7.692 ( -16.592 -4.220 0.824) 17.140 7.692 ( 16.592 -4.220 -0.824) 17.140 8.000 ( -14.075 -8.442 -1.677) 16.498 8.000 ( 14.075 -8.442 1.677) 16.498 8.229 ( 2.012 7.787 -5.283) 9.623 8.229 ( -2.012 7.787 5.283) 9.623 8.531 ( 4.416 5.168 -8.706) 11.046 8.531 ( -4.416 5.168 8.706) 11.046 9.042 ( -1.031 -17.532 -3.596) 17.927 9.042 ( 1.031 -17.532 3.596) 17.927 9.660 ( -2.399 7.918 -2.565) 8.662 9.660 ( 2.399 7.918 2.565) 8.662 9.831 ( -5.448 9.547 -0.036) 10.992 9.831 ( 5.448 9.547 0.036) 10.992 10.636 ( -1.547 -4.583 -6.288) 7.933 10.636 ( 1.547 -4.583 6.288) 7.933 10.902 ( 1.663 -5.410 -2.808) 6.318 10.902 ( -1.663 -5.410 2.808) 6.318 11.485 ( -9.866 3.864 -4.046) 11.342 11.485 ( 9.866 3.864 4.046) 11.342 11.696 ( -1.846 16.080 -1.042) 16.219 11.696 ( 1.846 16.080 1.042) 16.219 13.049 ( -4.345 -3.858 -5.373) 7.914 13.049 ( 4.345 -3.858 5.373) 7.914 13.080 ( -7.451 -2.538 -2.564) 8.278 13.080 ( 7.451 -2.538 2.564) 8.278 13.743 ( -4.854 -7.432 -0.395) 8.885 13.743 ( 4.854 -7.432 0.395) 8.885 14.066 ( 3.201 8.000 -7.978) 11.743 14.066 ( -3.201 8.000 7.978) 11.743 14.387 ( 0.166 -13.912 -2.956) 14.224 14.387 ( -0.166 -13.912 2.956) 14.224 15.469 ( -0.322 -15.418 -0.517) 15.430 15.469 ( 0.322 -15.418 0.517) 15.430 15.900 ( 0.203 19.999 -3.979) 20.392 15.900 ( -0.203 19.999 3.979) 20.392 17.742 ( -3.025 21.285 -2.264) 21.618 17.742 ( 3.025 21.285 2.264) 21.618 20.200 ( -1.480 -25.597 -1.019) 25.660 20.200 ( 1.480 -25.597 1.019) 25.660 22.111 ( -3.052 -1.404 0.405) 3.384 22.111 ( 3.052 -1.404 -0.405) 3.384 22.193 ( -2.002 4.191 0.269) 4.653 22.193 ( 2.002 4.191 -0.269) 4.653 22.718 ( 0.526 16.351 -1.217) 16.405 22.718 ( -0.526 16.351 1.217) 16.405 28.407 ( -0.351 -0.551 -0.543) 0.850 28.407 ( 0.351 -0.551 0.543) 0.850 28.595 ( -0.523 4.007 -1.673) 4.374 28.595 ( 0.523 4.007 1.673) 4.374 28.749 ( 1.055 2.966 -2.452) 3.990 28.749 ( -1.055 2.966 2.452) 3.990 29.348 ( 1.912 32.939 -14.931) 36.216 29.348 ( -1.912 32.939 14.931) 36.216 29.838 ( -6.525 4.781 -2.107) 8.359 29.838 ( 6.525 4.781 2.107) 8.359 30.238 ( 4.607 2.012 -4.674) 6.864 30.238 ( -4.607 2.012 4.674) 6.864 30.864 ( -1.677 0.031 -1.560) 2.291 30.864 ( 1.677 0.031 1.560) 2.291 31.411 ( -0.068 -1.148 -8.424) 8.502 31.411 ( 0.068 -1.148 8.424) 8.502 31.626 ( 1.357 -3.728 -6.772) 7.849 31.626 ( -1.357 -3.728 6.772) 7.849 33.777 ( -2.911 -26.533 -2.626) 26.821 33.777 ( 2.911 -26.533 2.626) 26.821 ======================= Grid point 153 (66/84) ======================= q-point: ( 0.17 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 24.856 9.914 -14.258) 30.322 1.661 ( 12.123 15.829 14.370) 24.577 1.744 ( 12.770 7.117 -25.149) 29.090 1.843 ( 14.510 14.882 19.008) 28.166 2.386 ( 19.499 25.221 -6.493) 32.534 2.505 ( 9.593 22.069 0.837) 24.078 3.009 ( -16.856 4.975 7.938) 19.284 3.117 ( -5.430 5.147 -6.170) 9.698 3.319 ( 2.193 1.789 -2.137) 3.547 3.480 ( 5.667 6.137 -4.597) 9.534 3.567 ( 1.823 3.700 9.464) 10.324 3.633 ( 6.712 5.638 -0.797) 8.802 3.748 ( 4.421 3.282 6.179) 8.276 3.922 ( 7.525 10.512 2.404) 13.150 4.190 ( 5.194 -6.499 -7.767) 11.382 4.477 ( 9.594 11.076 6.250) 15.931 4.543 ( -3.178 1.248 7.035) 7.820 4.695 ( 1.099 8.833 -1.225) 8.985 4.851 ( -6.669 -7.982 -4.609) 11.377 4.940 ( -1.282 -2.453 -5.800) 6.427 5.067 ( -2.330 4.094 -2.992) 5.581 5.160 ( 1.022 6.620 2.127) 7.028 5.243 ( 3.654 -4.499 2.874) 6.469 5.267 ( -2.453 -4.966 -3.250) 6.421 5.369 ( -6.689 -1.212 1.708) 7.010 5.482 ( -0.615 -4.010 0.101) 4.058 5.511 ( 4.281 -1.338 -1.416) 4.703 5.660 ( -9.198 -3.206 -1.668) 9.882 5.822 ( -2.097 -0.045 2.030) 2.919 5.888 ( -2.221 1.187 4.796) 5.417 6.000 ( 3.630 -4.605 2.680) 6.447 6.061 ( 1.729 -2.269 -0.609) 2.917 6.187 ( -2.538 -3.838 0.190) 4.605 6.315 ( 0.829 0.592 0.807) 1.299 6.490 ( 2.576 2.706 3.460) 5.092 6.609 ( 4.437 6.395 3.143) 8.394 6.636 ( -5.536 2.771 -3.598) 7.160 6.853 ( -13.041 -0.688 -0.669) 13.076 6.961 ( -12.347 1.628 -4.601) 13.276 7.049 ( -8.263 -0.549 0.569) 8.300 7.109 ( 5.175 -0.826 -5.536) 7.623 7.217 ( -4.775 -3.252 -3.570) 6.791 7.416 ( -4.070 -10.603 8.106) 13.953 7.473 ( -28.546 -2.672 -2.074) 28.746 7.897 ( 5.353 3.798 -0.147) 6.565 8.094 ( -8.359 9.339 -0.974) 12.571 8.126 ( 1.228 4.180 -1.984) 4.787 8.202 ( -6.348 1.433 0.216) 6.512 8.473 ( -3.913 3.294 4.402) 6.748 8.514 ( -1.621 4.505 -3.491) 5.925 9.150 ( 5.081 -9.706 3.850) 11.613 9.287 ( 15.798 -14.527 -0.399) 21.466 9.447 ( -1.018 6.902 1.202) 7.080 9.644 ( -7.991 4.191 -4.830) 10.235 9.970 ( 10.543 9.094 -1.278) 13.982 10.040 ( 9.726 3.983 1.256) 10.585 10.485 ( -6.637 -3.870 -1.193) 7.775 10.665 ( -5.538 1.128 -0.555) 5.679 10.824 ( -4.813 -5.619 1.494) 7.548 10.887 ( -3.048 -3.102 -1.019) 4.467 11.412 ( 6.020 0.628 -1.413) 6.216 11.693 ( 4.011 12.281 0.031) 12.919 11.701 ( 2.152 8.250 2.957) 9.024 11.779 ( 11.880 9.775 0.687) 15.400 12.827 ( -10.777 -1.956 -4.483) 11.835 12.874 ( -10.817 -0.114 4.014) 11.539 13.231 ( 7.469 -10.144 0.778) 12.621 13.302 ( 6.767 -7.604 -0.039) 10.179 13.652 ( 0.095 -7.125 -0.659) 7.156 13.764 ( 0.652 -7.650 0.638) 7.704 14.148 ( 8.490 -6.555 2.610) 11.039 14.221 ( 7.395 -5.338 -2.283) 9.402 14.494 ( 9.988 -7.521 -3.398) 12.957 14.544 ( 11.274 -4.567 3.876) 12.766 15.396 ( -6.052 -15.807 -1.007) 16.955 15.410 ( -6.000 -13.413 0.380) 14.699 15.986 ( 10.196 21.045 -2.064) 23.476 16.008 ( 8.799 20.027 4.234) 22.281 17.542 ( -14.284 18.740 -0.596) 23.571 17.649 ( -12.791 18.872 1.629) 22.857 20.275 ( 10.808 -22.301 0.891) 24.798 20.381 ( 13.144 -20.964 -1.315) 24.778 21.935 ( -14.696 2.121 1.559) 14.930 21.989 ( -9.453 -0.006 -1.249) 9.536 22.235 ( 3.437 -0.147 1.050) 3.597 22.254 ( 2.476 4.479 -0.390) 5.133 22.678 ( -1.461 15.681 1.341) 15.806 22.742 ( -0.601 14.898 -0.737) 14.929 28.494 ( 4.544 -3.799 -0.109) 5.924 28.522 ( 4.412 -2.441 0.570) 5.074 28.618 ( 4.714 2.617 -1.413) 5.573 28.685 ( 9.244 4.060 1.328) 10.184 28.759 ( 1.457 0.711 1.285) 2.069 28.836 ( 6.511 1.321 -1.177) 6.747 29.419 ( 11.697 26.000 -12.179) 31.002 29.517 ( 8.259 26.068 11.706) 29.745 29.641 ( -11.210 4.276 -0.494) 12.008 29.946 ( 2.569 10.735 11.165) 15.700 30.152 ( -5.464 3.563 5.963) 8.838 30.274 ( 1.475 2.680 -4.892) 5.770 30.885 ( 3.996 -0.871 -1.259) 4.279 30.994 ( 9.113 0.900 3.162) 9.688 31.372 ( 0.653 -2.270 -8.217) 8.550 31.455 ( 0.009 -0.805 6.800) 6.847 31.688 ( 8.546 -3.189 -7.014) 11.506 31.699 ( 4.968 -4.918 7.489) 10.244 33.452 ( -22.525 -23.586 -12.504) 34.929 33.618 ( -17.252 -19.713 1.623) 26.246 ======================= Grid point 154 (67/84) ======================= q-point: ( 0.33 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 10.068 9.288 -7.697) 15.712 1.864 ( 3.397 12.526 8.652) 15.598 2.230 ( 33.658 7.285 -13.417) 36.959 2.293 ( 12.993 20.187 11.742) 26.725 2.651 ( 5.450 19.308 -0.514) 20.069 2.675 ( -2.870 7.964 6.107) 10.438 2.807 ( -9.377 5.066 -0.469) 10.668 3.007 ( 12.178 20.493 -1.738) 23.901 3.317 ( 2.483 -6.167 -6.188) 9.082 3.426 ( 2.757 10.614 -1.346) 11.048 3.708 ( 8.515 -2.444 2.036) 9.090 3.912 ( 15.245 2.754 -1.529) 15.567 4.013 ( 10.854 6.003 6.841) 14.165 4.167 ( 3.289 -1.708 2.143) 4.281 4.246 ( 0.260 -9.365 -4.635) 10.453 4.522 ( 4.789 -1.862 -0.093) 5.139 4.571 ( -6.224 5.960 -1.952) 8.836 4.648 ( -6.124 -4.778 1.292) 7.874 4.790 ( 1.243 0.372 1.117) 1.712 4.806 ( 1.143 0.778 4.165) 4.388 5.038 ( 1.432 0.423 -5.602) 5.797 5.123 ( -3.868 -2.126 -7.504) 8.705 5.203 ( -1.197 7.845 1.938) 8.169 5.254 ( -6.006 3.745 -0.276) 7.084 5.345 ( 2.445 -2.858 2.010) 4.264 5.425 ( -2.894 -3.467 0.755) 4.579 5.566 ( 4.501 -8.000 2.116) 9.421 5.653 ( 2.770 -3.042 -0.310) 4.126 5.811 ( -0.509 0.009 0.982) 1.106 5.853 ( -4.442 1.299 2.829) 5.424 5.931 ( -14.307 -1.514 -0.060) 14.387 6.095 ( -5.138 2.493 0.577) 5.740 6.102 ( 0.054 -3.550 6.570) 7.468 6.336 ( -0.858 2.775 0.750) 3.000 6.360 ( -10.017 -3.425 -3.684) 11.209 6.419 ( -6.725 0.270 1.194) 6.836 6.578 ( -14.932 -2.423 -3.728) 15.580 6.658 ( -2.443 4.180 0.749) 4.900 6.780 ( 0.836 2.720 2.431) 3.742 6.930 ( -6.853 -3.992 3.849) 8.816 7.047 ( 0.989 -0.923 -5.398) 5.565 7.112 ( -0.207 7.393 -1.511) 7.549 7.294 ( -0.363 3.132 -2.455) 3.996 7.326 ( -6.273 -7.363 -0.120) 9.674 7.938 ( -0.953 8.398 5.966) 10.345 8.020 ( 4.075 7.051 -5.632) 9.901 8.080 ( -1.478 3.885 -6.052) 7.342 8.163 ( -0.570 12.223 4.146) 12.920 8.419 ( -2.339 4.534 -1.250) 5.253 8.462 ( -2.810 4.692 1.570) 5.690 9.056 ( -7.824 5.401 6.751) 11.660 9.253 ( -14.056 4.362 -6.474) 16.079 9.731 ( 18.054 -7.899 -0.817) 19.724 9.742 ( 15.836 -7.805 0.153) 17.656 10.127 ( 1.805 0.123 -3.244) 3.714 10.138 ( 6.265 3.298 0.410) 7.092 10.382 ( -4.029 0.597 0.444) 4.097 10.537 ( -3.630 0.460 -0.073) 3.660 10.670 ( -10.867 -1.049 -0.372) 10.923 10.755 ( -9.383 0.164 1.001) 9.438 11.611 ( 10.806 -2.434 -0.029) 11.077 11.774 ( 5.471 4.143 0.049) 6.863 11.848 ( 8.218 6.209 0.712) 10.324 11.992 ( 4.488 5.123 0.656) 6.842 12.627 ( -4.309 1.076 -4.937) 6.641 12.691 ( -7.502 3.915 3.739) 9.252 13.237 ( -3.650 -13.789 -1.963) 14.399 13.330 ( -4.816 -12.554 4.412) 14.151 13.778 ( 9.212 -9.766 0.394) 13.431 13.849 ( 5.743 -9.761 -0.157) 11.327 14.298 ( 3.875 -14.940 2.281) 15.603 14.332 ( 3.715 -14.761 -2.178) 15.376 14.694 ( 10.506 -1.235 -1.768) 10.725 14.766 ( 8.301 0.592 3.045) 8.862 15.228 ( -9.267 -16.235 -0.841) 18.713 15.253 ( -8.952 -12.897 0.364) 15.703 16.282 ( 18.021 19.283 -2.930) 26.556 16.298 ( 16.111 19.373 6.260) 25.963 17.203 ( -17.816 15.444 1.064) 23.602 17.300 ( -19.448 15.101 -0.966) 24.641 20.591 ( 17.441 -15.650 0.620) 23.442 20.686 ( 15.923 -14.963 -1.095) 21.878 21.614 ( -16.142 -3.246 2.350) 16.632 21.710 ( -15.397 -2.191 -3.214) 15.881 22.288 ( 3.090 4.974 -0.370) 5.867 22.328 ( 2.364 7.583 1.407) 8.066 22.659 ( -1.007 13.392 0.779) 13.452 22.700 ( -2.304 14.006 -0.998) 14.229 28.541 ( 1.138 -1.361 -0.753) 1.927 28.553 ( 0.138 -0.011 0.752) 0.765 28.718 ( 4.707 -1.713 -1.441) 5.213 28.785 ( 0.677 -4.385 0.258) 4.444 28.921 ( 9.085 5.315 -1.265) 10.601 28.994 ( 9.802 3.958 3.864) 11.255 29.396 ( -10.792 5.565 -0.555) 12.155 29.533 ( -5.750 6.127 0.770) 8.438 29.701 ( 16.478 15.869 -15.379) 27.565 30.032 ( -4.329 3.666 8.877) 10.535 30.173 ( 1.628 14.553 21.668) 26.152 30.266 ( 1.285 4.641 -7.276) 8.726 30.987 ( 5.952 -0.732 -0.686) 6.036 31.154 ( 1.304 1.513 2.222) 2.988 31.391 ( 4.536 -3.936 -3.221) 6.815 31.472 ( -1.245 -1.390 4.908) 5.251 31.900 ( 10.357 -6.665 8.609) 15.027 31.946 ( 18.836 -4.075 -1.742) 19.351 32.893 ( -19.740 -14.776 -19.811) 31.630 33.181 ( -24.856 -12.275 2.718) 27.855 ======================= Grid point 155 (68/84) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 0.152 14.347 -8.044) 16.449 1.936 ( -0.152 14.347 8.044) 16.449 2.456 ( 4.005 10.974 -14.649) 18.737 2.456 ( -4.005 10.974 14.649) 18.737 2.662 ( 7.014 16.180 -10.144) 20.344 2.662 ( -7.014 16.180 10.144) 20.344 2.902 ( -14.542 17.527 -3.434) 23.032 2.902 ( 14.542 17.527 3.434) 23.032 3.625 ( -9.223 -9.159 -0.959) 13.033 3.625 ( 9.223 -9.159 0.959) 13.033 3.941 ( -14.032 -0.951 -0.388) 14.069 3.941 ( 14.032 -0.951 0.388) 14.069 4.034 ( -2.676 -4.148 -3.623) 6.123 4.034 ( 2.676 -4.148 3.623) 6.123 4.269 ( -10.004 -0.395 -3.366) 10.562 4.269 ( 10.004 -0.395 3.366) 10.562 4.601 ( 0.103 -5.429 -2.725) 6.075 4.601 ( -0.103 -5.429 2.725) 6.075 4.966 ( 1.063 1.148 -2.676) 3.100 4.966 ( -1.063 1.148 2.676) 3.100 5.040 ( -0.663 3.369 -2.693) 4.364 5.040 ( 0.663 3.369 2.693) 4.364 5.224 ( -0.458 2.543 -0.916) 2.741 5.224 ( 0.458 2.543 0.916) 2.741 5.407 ( -6.572 -3.872 -2.676) 8.084 5.407 ( 6.572 -3.872 2.676) 8.084 5.543 ( -10.516 1.305 -2.081) 10.799 5.543 ( 10.516 1.305 2.081) 10.799 5.753 ( -1.791 -1.439 -2.402) 3.324 5.753 ( 1.791 -1.439 2.402) 3.324 5.894 ( -5.969 0.786 -1.528) 6.211 5.894 ( 5.969 0.786 1.528) 6.211 6.187 ( -3.203 -3.844 -5.016) 7.085 6.187 ( 3.203 -3.844 5.016) 7.085 6.337 ( -3.288 1.573 -2.496) 4.418 6.337 ( 3.288 1.573 2.496) 4.418 6.557 ( -7.418 2.760 -4.513) 9.111 6.557 ( 7.418 2.760 4.513) 9.111 6.852 ( -2.885 0.251 -4.838) 5.639 6.852 ( 2.885 0.251 4.838) 5.639 7.105 ( 0.412 0.349 -3.359) 3.402 7.105 ( -0.412 0.349 3.359) 3.402 7.233 ( -3.230 1.929 -4.056) 5.532 7.233 ( 3.230 1.929 4.056) 5.532 7.999 ( -1.930 7.566 -5.869) 9.768 7.999 ( 1.930 7.566 5.869) 9.768 8.128 ( 3.752 8.969 -2.227) 9.974 8.128 ( -3.752 8.969 2.227) 9.974 8.405 ( 1.400 6.196 -4.799) 7.961 8.405 ( -1.400 6.196 4.799) 7.961 9.026 ( -2.688 5.510 -6.334) 8.815 9.026 ( 2.688 5.510 6.334) 8.815 9.944 ( -0.238 -3.173 -2.768) 4.217 9.944 ( 0.238 -3.173 2.768) 4.217 10.176 ( -4.000 -9.576 -1.303) 10.460 10.176 ( 4.000 -9.576 1.303) 10.460 10.416 ( -10.051 5.309 -1.332) 11.445 10.416 ( 10.051 5.309 1.332) 11.445 10.574 ( -4.722 1.243 -0.560) 4.915 10.574 ( 4.722 1.243 0.560) 4.915 11.807 ( -4.369 -2.976 0.081) 5.287 11.807 ( 4.369 -2.976 -0.081) 5.287 11.961 ( -1.312 5.248 -0.555) 5.438 11.961 ( 1.312 5.248 0.555) 5.438 12.614 ( 1.890 5.430 -7.201) 9.215 12.614 ( -1.890 5.430 7.201) 9.215 13.222 ( 3.035 -14.331 -4.077) 15.205 13.222 ( -3.035 -14.331 4.077) 15.205 13.906 ( -1.527 -10.976 -0.534) 11.094 13.906 ( 1.527 -10.976 0.534) 11.094 14.344 ( -0.529 -15.355 -1.838) 15.474 14.344 ( 0.529 -15.355 1.838) 15.474 14.872 ( 1.254 5.288 -2.496) 5.981 14.872 ( -1.254 5.288 2.496) 5.981 15.100 ( -0.982 -19.426 -0.643) 19.461 15.100 ( 0.982 -19.426 0.643) 19.461 16.562 ( 3.154 18.524 -4.782) 19.390 16.562 ( -3.154 18.524 4.782) 19.390 16.971 ( -3.339 13.414 -2.853) 14.114 16.971 ( 3.339 13.414 2.853) 14.114 20.868 ( -1.767 -11.850 -1.830) 12.120 20.868 ( 1.767 -11.850 1.830) 12.120 21.442 ( -3.023 -6.081 -3.919) 7.841 21.442 ( 3.023 -6.081 3.919) 7.841 22.341 ( 0.786 9.040 -1.007) 9.129 22.341 ( -0.786 9.040 1.007) 9.129 22.659 ( 0.236 12.675 -2.686) 12.959 22.659 ( -0.236 12.675 2.686) 12.959 28.552 ( 0.481 -0.102 -0.845) 0.977 28.552 ( -0.481 -0.102 0.845) 0.977 28.778 ( 0.306 -4.300 -1.495) 4.563 28.778 ( -0.306 -4.300 1.495) 4.563 29.081 ( 6.787 6.292 -5.621) 10.828 29.081 ( -6.787 6.292 5.621) 10.828 29.345 ( -9.089 5.172 0.549) 10.472 29.345 ( 9.089 5.172 -0.549) 10.472 29.929 ( 10.495 6.633 -11.107) 16.659 29.929 ( -10.495 6.633 11.107) 16.659 30.256 ( 2.902 8.576 -15.616) 18.051 30.256 ( -2.902 8.576 15.616) 18.051 31.102 ( -4.888 0.179 -0.304) 4.900 31.102 ( 4.888 0.179 0.304) 4.900 31.455 ( 2.198 -2.692 -3.292) 4.787 31.455 ( -2.198 -2.692 3.292) 4.787 32.155 ( -5.851 -8.514 -6.471) 12.190 32.155 ( 5.851 -8.514 6.471) 12.190 32.721 ( 11.907 -8.251 -8.484) 16.788 32.721 ( -11.907 -8.251 8.484) 16.788 ======================= Grid point 159 (69/84) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 2.311 14.017 -19.664) 24.259 1.863 ( -2.311 14.017 19.664) 24.259 2.080 ( 3.316 29.262 -14.235) 32.709 2.080 ( -3.316 29.262 14.235) 32.709 2.623 ( -5.835 18.796 -9.332) 21.782 2.623 ( 5.835 18.796 9.332) 21.781 3.395 ( -3.447 9.955 -6.388) 12.321 3.395 ( 3.447 9.955 6.388) 12.321 3.508 ( -6.096 7.410 -2.217) 9.848 3.508 ( 6.096 7.410 2.217) 9.848 3.708 ( -6.676 12.928 -5.478) 15.547 3.708 ( 6.676 12.928 5.478) 15.547 3.943 ( 1.426 7.289 -1.222) 7.527 3.943 ( -1.426 7.289 1.222) 7.527 4.321 ( -14.977 4.082 -0.730) 15.540 4.321 ( 14.977 4.082 0.730) 15.540 4.673 ( -3.651 -0.261 -1.148) 3.836 4.673 ( 3.651 -0.261 1.148) 3.836 4.852 ( -10.752 -4.640 0.017) 11.711 4.852 ( 10.752 -4.640 -0.017) 11.711 5.102 ( -0.574 -8.826 -1.722) 9.010 5.102 ( 0.574 -8.826 1.722) 9.010 5.219 ( -4.392 1.472 -3.314) 5.696 5.219 ( 4.392 1.472 3.314) 5.696 5.520 ( -1.261 4.915 -7.496) 9.051 5.520 ( 1.261 4.915 7.496) 9.051 5.592 ( -13.602 -2.184 -2.653) 14.029 5.592 ( 13.602 -2.184 2.653) 14.029 5.777 ( -6.115 -5.062 -3.889) 8.840 5.777 ( 6.115 -5.062 3.889) 8.840 5.939 ( 1.924 0.912 -6.903) 7.224 5.939 ( -1.924 0.912 6.903) 7.224 6.262 ( -4.678 0.869 -1.983) 5.155 6.262 ( 4.678 0.869 1.983) 5.155 6.578 ( -5.430 1.923 -4.400) 7.249 6.578 ( 5.430 1.923 4.400) 7.249 6.927 ( -3.396 3.166 -5.883) 7.494 6.927 ( 3.396 3.166 5.883) 7.494 7.056 ( -1.151 -2.875 -2.326) 3.874 7.056 ( 1.151 -2.875 2.326) 3.874 7.203 ( -5.831 9.239 -3.915) 11.606 7.203 ( 5.831 9.239 3.915) 11.606 7.667 ( -19.376 -1.664 -1.292) 19.490 7.667 ( 19.376 -1.664 1.292) 19.490 7.868 ( -11.773 -0.709 0.892) 11.828 7.868 ( 11.773 -0.709 -0.892) 11.828 8.403 ( 0.535 8.008 -3.791) 8.876 8.403 ( -0.535 8.008 3.791) 8.876 8.601 ( -2.051 -9.759 -0.829) 10.006 8.601 ( 2.051 -9.759 0.829) 10.006 8.703 ( -9.115 -1.495 -1.536) 9.363 8.703 ( 9.115 -1.495 1.536) 9.363 9.797 ( -1.658 6.179 -2.878) 7.015 9.797 ( 1.658 6.179 2.878) 7.015 10.132 ( -4.310 17.533 -3.171) 18.331 10.132 ( 4.310 17.533 3.171) 18.331 10.591 ( -3.710 0.424 -3.107) 4.858 10.591 ( 3.710 0.424 3.107) 4.858 10.792 ( 0.791 -4.805 -0.986) 4.968 10.792 ( -0.791 -4.805 0.986) 4.968 11.544 ( -8.625 1.571 -4.341) 9.782 11.544 ( 8.625 1.571 4.341) 9.782 12.055 ( -2.050 17.877 -0.761) 18.010 12.055 ( 2.050 17.877 0.761) 18.010 12.962 ( -0.368 -4.576 -6.045) 7.591 12.962 ( 0.368 -4.576 6.045) 7.591 13.005 ( -6.508 -5.472 -3.406) 9.159 13.005 ( 6.508 -5.472 3.406) 9.159 13.499 ( -3.304 -16.268 -0.501) 16.608 13.499 ( 3.304 -16.268 0.501) 16.608 13.982 ( -9.553 -19.665 0.957) 21.884 13.982 ( 9.553 -19.665 -0.957) 21.884 14.038 ( -6.304 -12.681 -4.502) 14.860 14.038 ( 6.304 -12.681 4.502) 14.860 15.067 ( -0.970 -22.282 -0.490) 22.308 15.067 ( 0.970 -22.282 0.490) 22.308 16.485 ( 2.290 33.052 -8.623) 34.235 16.485 ( -2.290 33.052 8.623) 34.235 18.308 ( -2.604 32.224 -3.159) 32.483 18.308 ( 2.604 32.224 3.159) 32.483 19.643 ( -1.518 -26.587 -0.224) 26.631 19.643 ( 1.518 -26.587 0.224) 26.631 21.977 ( -1.849 -11.412 -0.220) 11.562 21.977 ( 1.849 -11.412 0.220) 11.562 22.335 ( -1.255 9.426 -1.236) 9.589 22.335 ( 1.255 9.426 1.236) 9.589 23.072 ( -0.509 15.453 -2.847) 15.721 23.072 ( 0.509 15.453 2.847) 15.721 28.394 ( -0.937 -0.634 -0.376) 1.192 28.394 ( 0.937 -0.634 0.376) 1.192 28.634 ( -0.945 -0.757 -0.860) 1.485 28.634 ( 0.945 -0.757 0.860) 1.485 28.931 ( 2.307 14.089 -5.984) 15.480 28.931 ( -2.307 14.089 5.984) 15.480 29.849 ( -0.511 11.222 -4.488) 12.097 29.849 ( 0.511 11.222 4.488) 12.097 30.106 ( -3.787 19.608 -17.661) 26.659 30.106 ( 3.787 19.608 17.661) 26.659 30.294 ( 1.164 5.622 -3.646) 6.801 30.294 ( -1.164 5.622 3.646) 6.801 30.879 ( -1.221 1.553 -2.592) 3.259 30.879 ( 1.221 1.553 2.592) 3.259 31.384 ( -1.051 -1.290 -6.166) 6.387 31.384 ( 1.051 -1.290 6.166) 6.387 31.526 ( 2.287 -5.485 -4.728) 7.594 31.526 ( -2.287 -5.485 4.728) 7.594 33.159 ( -3.585 -30.738 -9.156) 32.272 33.159 ( 3.585 -30.738 9.156) 32.272 ======================= Grid point 161 (70/84) ======================= q-point: ( 0.17 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 7.312 15.063 -4.877) 17.440 1.934 ( 8.767 11.781 -19.333) 24.278 1.997 ( 1.331 12.251 7.521) 14.437 2.066 ( 5.826 13.630 7.835) 16.766 2.975 ( 25.744 23.853 2.334) 35.173 3.050 ( 8.418 18.739 -2.192) 20.660 3.173 ( -6.873 13.566 3.641) 15.637 3.275 ( -8.289 12.443 1.406) 15.017 3.469 ( -2.857 12.875 3.097) 13.547 3.592 ( -1.020 3.189 -1.994) 3.896 3.685 ( 9.208 7.150 1.633) 11.772 3.834 ( 1.165 9.272 -1.239) 9.426 3.921 ( 8.134 17.025 0.955) 18.892 4.068 ( -1.868 -3.197 2.055) 4.235 4.153 ( 5.471 10.151 -2.092) 11.719 4.551 ( -5.430 -6.341 -2.076) 8.602 4.613 ( 2.818 1.458 3.849) 4.988 4.689 ( 0.931 1.432 0.763) 1.871 4.772 ( 5.458 -2.262 -3.318) 6.776 4.983 ( -11.539 2.629 1.886) 11.984 5.011 ( -3.022 -11.161 -4.882) 12.551 5.084 ( 5.457 -5.556 -0.493) 7.803 5.135 ( -2.897 -4.178 1.281) 5.243 5.330 ( -3.370 -3.492 -2.701) 5.554 5.344 ( 3.817 -0.089 -0.888) 3.920 5.485 ( -3.258 9.052 -6.014) 11.346 5.512 ( -9.033 -3.787 1.754) 9.950 5.595 ( 1.233 3.559 2.481) 4.510 5.833 ( 3.475 -1.422 5.050) 6.293 5.850 ( -1.844 -1.468 6.065) 6.507 5.931 ( 5.015 -1.432 2.226) 5.670 6.016 ( 2.800 -1.684 0.405) 3.293 6.144 ( -5.321 0.405 -0.954) 5.421 6.330 ( 0.497 1.447 3.129) 3.483 6.514 ( -1.801 -2.817 1.819) 3.807 6.659 ( -12.617 -2.631 0.090) 12.889 6.762 ( -1.377 5.100 -4.090) 6.681 6.810 ( -11.498 3.984 -1.641) 12.278 6.962 ( -8.834 -2.761 -0.187) 9.257 7.006 ( -1.420 -2.735 0.038) 3.082 7.184 ( -1.430 8.437 -0.668) 8.583 7.276 ( -1.663 5.547 0.328) 5.800 7.360 ( -1.468 6.841 2.153) 7.320 7.413 ( -17.574 -0.369 -7.360) 19.056 8.060 ( 8.668 11.832 0.978) 14.700 8.114 ( 11.497 3.282 -5.104) 13.000 8.276 ( -7.753 7.407 -1.923) 10.894 8.397 ( -0.647 8.990 5.890) 10.767 8.533 ( -1.571 1.022 2.611) 3.214 8.579 ( -2.019 -0.997 -3.242) 3.947 8.877 ( 16.269 -10.919 1.278) 19.635 8.996 ( 18.411 -11.004 -0.543) 21.455 9.650 ( -8.303 9.867 2.753) 13.187 9.769 ( -7.472 7.985 -1.402) 11.025 10.131 ( 2.509 6.645 -1.294) 7.220 10.217 ( 1.560 13.530 -0.235) 13.622 10.472 ( -3.014 2.940 1.624) 4.512 10.657 ( -5.462 -2.417 -0.764) 6.021 10.746 ( 2.222 -0.901 2.261) 3.296 10.835 ( -0.032 -0.814 -2.243) 2.386 11.435 ( 1.848 1.009 -1.990) 2.897 11.752 ( 6.524 -0.677 3.369) 7.373 11.991 ( -2.176 14.174 -0.367) 14.345 12.058 ( -0.509 13.435 -0.374) 13.450 12.767 ( -9.058 -2.872 -4.457) 10.496 12.833 ( -6.673 -4.041 3.703) 8.635 13.067 ( 0.117 -6.651 -0.716) 6.691 13.166 ( 3.385 -6.397 1.698) 7.433 13.430 ( 0.388 -13.475 -1.069) 13.523 13.527 ( -0.043 -14.513 0.480) 14.521 13.821 ( -0.140 -22.329 1.136) 22.358 13.899 ( -1.688 -22.102 -0.214) 22.167 14.270 ( 12.959 -15.199 -3.866) 20.344 14.331 ( 12.971 -16.140 3.575) 21.013 15.010 ( -3.997 -20.029 -0.456) 20.429 15.056 ( -2.027 -19.484 0.149) 19.589 16.564 ( 7.022 31.204 3.568) 32.183 16.574 ( 8.946 32.402 -2.333) 33.695 18.039 ( -18.857 27.234 -1.069) 33.142 18.121 ( -19.016 24.890 1.720) 31.371 19.834 ( 19.240 -18.343 1.412) 26.620 19.932 ( 21.073 -19.459 -1.445) 28.719 21.861 ( -11.221 -8.460 0.401) 14.059 21.955 ( -7.516 -6.881 0.795) 10.221 22.282 ( 1.229 6.302 1.196) 6.531 22.367 ( 2.094 6.954 -1.067) 7.341 23.004 ( -3.760 13.842 -2.352) 14.535 23.069 ( -2.528 14.461 1.507) 14.757 28.431 ( 3.664 -2.241 -0.336) 4.308 28.469 ( 4.790 -2.306 0.449) 5.335 28.627 ( 0.824 -1.648 -0.997) 2.095 28.667 ( 1.508 -2.200 0.660) 2.748 28.975 ( 4.284 15.000 4.908) 16.354 28.998 ( 6.383 12.904 -4.081) 14.963 29.747 ( -8.327 7.832 -0.279) 11.435 29.821 ( -4.328 10.943 1.211) 11.830 29.995 ( 2.826 20.208 -16.573) 26.287 30.165 ( -3.817 4.256 7.589) 9.501 30.341 ( 3.677 5.322 -3.301) 7.262 30.402 ( 3.720 20.295 19.478) 28.375 30.876 ( 3.404 0.534 -1.474) 3.747 31.017 ( 9.219 0.813 4.024) 10.092 31.322 ( -1.639 -1.858 -6.668) 7.113 31.428 ( 0.038 -1.728 4.697) 5.005 31.566 ( 3.818 -7.483 5.646) 10.122 31.607 ( 7.959 -4.175 -3.962) 9.822 32.898 ( -14.326 -27.773 -14.244) 34.344 33.129 ( -9.564 -25.759 4.523) 27.847 ======================= Grid point 162 (71/84) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 15.530 15.326 -11.998) 24.900 2.138 ( 11.534 12.254 11.157) 20.191 2.296 ( 27.495 0.547 -4.936) 27.940 2.470 ( 31.288 -4.820 2.281) 31.740 2.762 ( -15.153 5.566 7.015) 17.601 2.964 ( -15.284 12.703 -5.146) 20.529 3.208 ( -2.876 23.393 4.311) 23.960 3.257 ( -3.863 10.922 3.614) 12.136 3.581 ( -8.226 4.547 7.006) 11.723 3.651 ( -4.565 4.604 -5.378) 8.424 3.760 ( 22.866 21.844 -7.018) 32.392 3.975 ( 4.729 0.806 0.705) 4.849 4.044 ( 1.790 -0.562 -5.442) 5.756 4.141 ( 8.464 1.689 -0.222) 8.634 4.221 ( -7.209 1.066 -1.258) 7.395 4.458 ( -11.508 -5.538 -0.321) 12.775 4.501 ( 2.954 3.215 1.604) 4.652 4.678 ( -1.528 -5.835 3.217) 6.836 4.785 ( -1.054 -3.524 1.391) 3.933 4.829 ( -1.830 6.895 -2.336) 7.507 5.008 ( -1.049 -1.932 -1.500) 2.661 5.075 ( 2.220 -0.560 -1.106) 2.543 5.189 ( 3.629 -4.278 1.732) 5.872 5.294 ( 0.550 -0.899 3.657) 3.806 5.358 ( 3.012 0.279 -4.245) 5.212 5.421 ( -1.285 0.848 1.991) 2.517 5.536 ( 5.844 10.038 -1.509) 11.713 5.645 ( 0.638 0.755 0.386) 1.061 5.800 ( -2.613 0.563 1.470) 3.050 5.874 ( -5.703 -0.045 -0.887) 5.772 5.909 ( -9.560 -1.283 -0.410) 9.655 6.055 ( 3.012 -0.732 9.628) 10.115 6.116 ( -1.126 0.039 0.364) 1.184 6.226 ( -6.200 -5.417 -1.299) 8.335 6.403 ( -0.063 1.561 4.057) 4.347 6.476 ( -6.005 5.075 -2.000) 8.113 6.504 ( -17.065 -4.376 -5.303) 18.398 6.761 ( -1.551 6.543 3.231) 7.460 6.886 ( -8.564 6.182 0.404) 10.570 6.909 ( 1.799 2.552 1.150) 3.328 7.023 ( 0.118 -1.324 -0.903) 1.607 7.200 ( -2.561 1.844 -1.128) 3.352 7.333 ( -1.441 9.680 -2.005) 9.990 7.380 ( 0.662 4.377 -4.120) 6.048 8.149 ( -0.273 10.582 3.867) 11.270 8.196 ( 3.906 9.933 -4.165) 11.457 8.269 ( 4.774 15.432 -1.817) 16.255 8.429 ( 0.083 12.141 1.762) 12.269 8.524 ( -0.049 5.118 -0.639) 5.158 8.544 ( -0.048 2.290 -0.188) 2.298 9.116 ( 2.785 -2.108 5.133) 6.209 9.303 ( 2.655 -2.735 -3.800) 5.382 9.613 ( 9.734 0.048 -2.175) 9.974 9.662 ( 5.309 2.266 1.703) 6.018 10.104 ( -4.708 0.331 1.592) 4.981 10.202 ( -5.337 4.121 -1.481) 6.903 10.451 ( 0.260 5.291 -2.114) 5.704 10.532 ( -3.265 -0.513 3.123) 4.548 10.722 ( -5.374 5.317 -1.157) 7.648 10.761 ( -6.164 1.216 -0.252) 6.288 11.567 ( 8.774 -2.106 -0.117) 9.024 11.794 ( -1.812 -2.529 2.744) 4.149 11.996 ( 2.406 6.061 -1.873) 6.784 12.077 ( 0.317 0.797 0.400) 0.947 12.623 ( -1.314 -0.461 -3.159) 3.453 12.788 ( 1.375 3.296 2.200) 4.195 12.955 ( -8.620 -10.568 -1.658) 13.738 13.119 ( -6.784 -7.611 2.523) 10.503 13.530 ( 7.191 -13.347 -0.642) 15.174 13.590 ( 4.395 -14.377 0.795) 15.055 13.882 ( 2.827 -24.660 1.738) 24.883 13.909 ( 1.775 -25.086 -1.623) 25.201 14.460 ( 7.187 -20.730 -1.107) 21.968 14.542 ( 6.128 -21.683 1.237) 22.566 14.921 ( -3.827 -11.488 0.276) 12.111 14.993 ( -3.934 -11.794 -0.326) 12.437 16.792 ( 13.791 27.917 -0.734) 31.146 16.813 ( 13.637 28.502 2.616) 31.705 17.624 ( -20.434 23.465 1.676) 31.160 17.689 ( -20.996 20.846 -1.790) 29.640 20.298 ( 22.970 -11.066 0.673) 25.506 20.388 ( 22.129 -11.300 -0.512) 24.852 21.535 ( -18.447 -4.394 2.033) 19.072 21.662 ( -18.659 -3.126 -1.843) 19.009 22.385 ( 6.973 4.365 0.611) 8.249 22.470 ( 6.162 5.314 0.310) 8.143 22.909 ( -3.534 9.920 -2.942) 10.934 22.992 ( -5.558 11.760 1.732) 13.122 28.499 ( 2.806 -2.494 -0.636) 3.807 28.538 ( 1.163 -1.532 1.012) 2.174 28.654 ( 2.050 -4.236 -1.241) 4.866 28.690 ( 0.281 -4.003 0.703) 4.074 29.118 ( 8.432 12.446 -4.759) 15.768 29.158 ( 8.100 11.446 6.307) 15.375 29.559 ( -8.563 10.061 0.492) 13.221 29.690 ( -8.271 9.237 -0.959) 12.436 30.016 ( 5.520 12.164 -12.128) 18.042 30.119 ( -3.695 4.435 5.564) 8.018 30.402 ( 5.303 8.889 -7.201) 12.609 30.508 ( -3.177 15.433 18.076) 23.979 30.980 ( 6.661 0.526 -1.425) 6.832 31.200 ( -0.480 2.826 4.449) 5.292 31.281 ( 4.576 -6.521 -3.499) 8.701 31.428 ( -2.012 -2.748 3.349) 4.776 31.726 ( 8.116 -9.440 6.561) 14.072 31.834 ( 14.070 -6.454 0.324) 15.483 32.524 ( -11.519 -19.520 -15.780) 27.618 32.856 ( -17.578 -18.127 2.024) 25.332 ======================= Grid point 163 (72/84) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 3.635 19.392 -7.668) 21.167 2.307 ( -3.635 19.392 7.668) 21.167 2.599 ( 0.033 4.594 -13.354) 14.122 2.599 ( -0.033 4.594 13.354) 14.123 2.961 ( 9.072 3.349 -7.486) 12.229 2.961 ( -9.072 3.349 7.486) 12.229 3.195 ( -7.945 11.464 -3.108) 14.290 3.195 ( 7.945 11.464 3.108) 14.290 3.415 ( -21.731 -12.900 1.687) 25.327 3.415 ( 21.731 -12.900 -1.687) 25.327 3.912 ( 0.666 -0.059 -6.134) 6.170 3.912 ( -0.666 -0.059 6.134) 6.170 4.072 ( 1.136 9.636 -1.455) 9.811 4.072 ( -1.136 9.636 1.455) 9.811 4.295 ( 5.061 -1.171 -5.026) 7.228 4.295 ( -5.061 -1.171 5.026) 7.228 4.600 ( -1.691 6.313 -2.229) 6.906 4.600 ( 1.691 6.313 2.229) 6.906 4.908 ( -2.884 -5.674 -1.175) 6.473 4.908 ( 2.884 -5.674 1.175) 6.473 5.018 ( -4.191 -0.365 -9.790) 10.656 5.018 ( 4.191 -0.365 9.790) 10.656 5.255 ( -7.119 -2.002 -2.806) 7.909 5.255 ( 7.119 -2.002 2.806) 7.909 5.448 ( 1.760 6.967 -2.852) 7.731 5.448 ( -1.760 6.967 2.852) 7.731 5.588 ( -4.348 4.404 -2.283) 6.596 5.588 ( 4.348 4.404 2.283) 6.596 5.757 ( -2.170 1.914 -1.103) 3.097 5.757 ( 2.170 1.914 1.103) 3.097 5.918 ( -8.538 0.862 -3.370) 9.220 5.918 ( 8.538 0.862 3.370) 9.220 6.128 ( -1.001 -1.263 -6.244) 6.449 6.128 ( 1.001 -1.263 6.244) 6.449 6.354 ( -2.900 0.615 -2.997) 4.216 6.354 ( 2.900 0.615 2.997) 4.216 6.625 ( -9.345 4.170 -8.476) 13.287 6.625 ( 9.345 4.170 8.476) 13.287 6.898 ( -2.598 4.621 -6.397) 8.308 6.898 ( 2.598 4.621 6.397) 8.308 7.079 ( -5.312 -0.767 -1.892) 5.691 7.079 ( 5.312 -0.767 1.892) 5.691 7.337 ( -0.194 6.528 -5.876) 8.786 7.337 ( 0.194 6.528 5.876) 8.786 8.193 ( 0.228 10.153 -5.621) 11.607 8.193 ( -0.228 10.153 5.621) 11.607 8.382 ( -3.720 14.620 -2.631) 15.313 8.382 ( 3.720 14.620 2.631) 15.313 8.535 ( -0.557 6.130 0.044) 6.155 8.535 ( 0.557 6.130 -0.044) 6.155 9.174 ( -3.940 7.556 -5.763) 10.287 9.174 ( 3.940 7.556 5.763) 10.287 9.919 ( -1.172 -0.716 -3.350) 3.621 9.919 ( 1.172 -0.716 3.350) 3.621 9.948 ( -12.797 -7.826 -1.337) 15.059 9.948 ( 12.797 -7.826 1.337) 15.059 10.515 ( 5.426 3.244 -4.762) 7.915 10.515 ( -5.426 3.244 4.762) 7.915 10.637 ( 2.221 5.501 -3.496) 6.886 10.637 ( -2.221 5.501 3.496) 6.886 11.727 ( -1.130 -5.215 -1.599) 5.571 11.727 ( 1.130 -5.215 1.599) 5.571 12.043 ( 3.486 1.221 -3.408) 5.025 12.043 ( -3.486 1.221 3.408) 5.025 12.708 ( -5.302 0.847 -4.018) 6.706 12.708 ( 5.302 0.847 4.018) 6.706 12.958 ( -2.850 -7.336 -3.153) 8.478 12.958 ( 2.850 -7.336 3.153) 8.478 13.632 ( -0.087 -14.592 -0.670) 14.608 13.632 ( 0.087 -14.592 0.670) 14.608 13.919 ( -0.087 -25.360 -1.808) 25.425 13.919 ( 0.087 -25.360 1.808) 25.425 14.571 ( -2.638 -27.545 -1.433) 27.708 14.571 ( 2.638 -27.545 1.433) 27.708 14.909 ( -2.754 -3.937 -1.117) 4.933 14.909 ( 2.754 -3.937 1.117) 4.933 17.035 ( 2.043 25.535 -5.312) 26.162 17.035 ( -2.043 25.535 5.312) 26.162 17.354 ( -2.230 22.150 -4.436) 22.699 17.354 ( 2.230 22.150 4.436) 22.699 20.647 ( -1.948 -7.967 -2.213) 8.495 20.647 ( 1.948 -7.967 2.213) 8.495 21.333 ( -4.917 -4.268 -3.491) 7.388 21.333 ( 4.917 -4.268 3.491) 7.388 22.513 ( -1.641 6.643 -0.665) 6.875 22.513 ( 1.641 6.643 0.665) 6.875 22.890 ( 2.496 8.187 -2.791) 9.003 22.890 ( -2.496 8.187 2.791) 9.003 28.538 ( 1.070 -1.447 -0.975) 2.047 28.538 ( -1.070 -1.447 0.975) 2.047 28.684 ( 0.827 -4.743 -1.365) 5.004 28.684 ( -0.827 -4.743 1.365) 5.004 29.251 ( 5.332 10.049 -7.320) 13.528 29.251 ( -5.332 10.049 7.320) 13.528 29.513 ( -6.183 11.006 -0.705) 12.644 29.513 ( 6.183 11.006 0.705) 12.644 30.070 ( 4.130 6.235 -7.818) 10.819 30.070 ( -4.130 6.235 7.818) 10.819 30.479 ( 6.551 11.876 -12.604) 18.515 30.479 ( -6.551 11.876 12.604) 18.515 31.110 ( -5.259 0.602 -0.572) 5.325 31.110 ( 5.259 0.602 0.572) 5.325 31.381 ( -0.695 -4.093 -1.308) 4.353 31.381 ( 0.695 -4.093 1.308) 4.353 31.932 ( -6.134 -12.281 -5.987) 14.976 31.932 ( 6.134 -12.281 5.987) 14.976 32.497 ( -2.031 -12.693 -3.924) 13.440 32.497 ( 2.031 -12.693 3.924) 13.440 ======================= Grid point 167 (73/84) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 1.664 18.056 -10.534) 20.970 2.174 ( -1.664 18.056 10.534) 20.970 2.678 ( -8.675 26.418 -6.825) 28.631 2.678 ( 8.675 26.418 6.825) 28.631 2.980 ( -21.614 15.420 -3.104) 26.732 2.980 ( 21.614 15.420 3.104) 26.731 3.480 ( -5.315 -2.034 -2.626) 6.268 3.480 ( 5.315 -2.034 2.626) 6.268 3.662 ( 4.371 7.982 -3.307) 9.682 3.662 ( -4.371 7.982 3.307) 9.682 3.912 ( -0.290 6.715 -3.591) 7.620 3.912 ( 0.290 6.715 3.591) 7.620 4.104 ( 4.963 5.669 -4.911) 8.994 4.104 ( -4.963 5.669 4.911) 8.994 4.483 ( -9.100 2.372 -3.882) 10.174 4.483 ( 9.100 2.372 3.882) 10.174 4.568 ( -6.745 0.855 -4.246) 8.016 4.568 ( 6.745 0.855 4.246) 8.016 4.833 ( -0.325 -9.362 -2.586) 9.718 4.833 ( 0.325 -9.362 2.586) 9.718 4.903 ( -0.657 1.524 -2.923) 3.362 4.903 ( 0.657 1.524 2.923) 3.362 5.212 ( -1.628 -0.812 0.257) 1.837 5.212 ( 1.628 -0.812 -0.257) 1.837 5.433 ( -5.606 -6.636 -11.224) 14.193 5.433 ( 5.606 -6.636 11.224) 14.193 5.628 ( -3.618 -2.246 -7.145) 8.318 5.628 ( 3.618 -2.246 7.145) 8.318 5.762 ( 3.455 3.194 -8.372) 9.603 5.762 ( -3.455 3.194 8.372) 9.603 6.029 ( -0.319 7.792 -7.884) 11.089 6.029 ( 0.319 7.792 7.884) 11.089 6.274 ( -5.259 -0.118 -4.044) 6.635 6.274 ( 5.259 -0.118 4.044) 6.635 6.557 ( -5.262 -2.777 -4.276) 7.327 6.557 ( 5.262 -2.777 4.276) 7.327 6.854 ( -1.393 -6.289 -4.429) 7.818 6.854 ( 1.393 -6.289 4.429) 7.818 7.161 ( -1.018 8.070 -2.435) 8.491 7.161 ( 1.018 8.070 2.435) 8.491 7.375 ( 8.939 -1.279 -8.068) 12.109 7.375 ( -8.939 -1.279 8.068) 12.109 7.632 ( -1.289 6.284 -5.424) 8.401 7.632 ( 1.289 6.284 5.424) 8.401 7.886 ( -0.663 -4.686 -1.338) 4.918 7.886 ( 0.663 -4.686 1.338) 4.918 8.469 ( 1.151 8.111 -2.807) 8.660 8.469 ( -1.151 8.111 2.807) 8.660 8.549 ( 0.039 6.590 -1.617) 6.786 8.549 ( -0.039 6.590 1.617) 6.786 8.831 ( 1.621 7.145 -1.240) 7.431 8.831 ( -1.621 7.145 1.240) 7.431 9.959 ( -1.701 10.926 -1.063) 11.109 9.959 ( 1.701 10.926 1.063) 11.109 10.471 ( -4.381 13.047 -5.556) 14.842 10.471 ( 4.381 13.047 5.556) 14.842 10.663 ( -3.585 6.578 -0.043) 7.491 10.663 ( 3.585 6.578 0.043) 7.491 10.730 ( -2.239 0.330 -1.906) 2.959 10.730 ( 2.239 0.330 1.906) 2.959 11.544 ( -4.791 -1.605 -2.907) 5.829 11.544 ( 4.791 -1.605 2.907) 5.829 12.388 ( -0.951 13.070 -1.043) 13.146 12.388 ( 0.951 13.070 1.043) 13.146 12.723 ( -1.407 -22.632 -0.878) 22.693 12.723 ( 1.407 -22.632 0.878) 22.693 12.916 ( -2.539 -2.108 -7.524) 8.216 12.916 ( 2.539 -2.108 7.524) 8.216 13.132 ( -0.249 -16.392 -1.829) 16.496 13.132 ( 0.249 -16.392 1.829) 16.496 13.531 ( -3.221 -20.315 -3.398) 20.848 13.531 ( 3.221 -20.315 3.398) 20.848 13.797 ( 1.552 -9.965 -3.234) 10.591 13.797 ( -1.552 -9.965 3.234) 10.591 14.607 ( -0.837 -21.512 -0.283) 21.530 14.607 ( 0.837 -21.512 0.283) 21.530 17.154 ( 2.505 30.955 -7.967) 32.062 17.154 ( -2.505 30.955 7.967) 32.062 19.018 ( -12.240 33.167 -1.635) 35.391 19.018 ( 12.240 33.167 1.635) 35.391 19.140 ( -14.158 -19.562 0.810) 24.161 19.140 ( 14.158 -19.562 -0.810) 24.161 21.648 ( -1.837 -20.332 -0.159) 20.416 21.648 ( 1.837 -20.332 0.159) 20.416 22.570 ( -0.776 13.068 -1.292) 13.155 22.570 ( 0.776 13.068 1.292) 13.155 23.293 ( -1.149 5.540 -2.777) 6.303 23.293 ( 1.149 5.540 2.777) 6.303 28.388 ( -0.714 0.220 -0.287) 0.800 28.388 ( 0.714 0.220 0.287) 0.800 28.592 ( -0.726 -2.953 -0.657) 3.111 28.592 ( 0.726 -2.953 0.657) 3.111 29.256 ( 1.590 16.255 -6.558) 17.600 29.256 ( -1.590 16.255 6.558) 17.600 30.044 ( -3.783 9.293 0.093) 10.033 30.044 ( 3.783 9.293 -0.093) 10.033 30.214 ( -1.185 -1.472 -3.460) 3.943 30.214 ( 1.185 -1.472 3.460) 3.943 30.590 ( -4.602 12.971 -14.421) 19.935 30.590 ( 4.602 12.971 14.421) 19.935 30.933 ( 0.966 4.292 -3.958) 5.918 30.933 ( -0.966 4.292 3.958) 5.918 31.350 ( -2.701 -2.975 0.213) 4.024 31.350 ( 2.701 -2.975 -0.213) 4.024 31.441 ( -1.826 -1.087 -2.756) 3.481 31.441 ( 1.826 -1.087 2.756) 3.481 32.572 ( -4.490 -25.768 -8.330) 27.451 32.572 ( 4.490 -25.768 8.330) 27.451 ======================= Grid point 169 (74/84) ======================= q-point: ( 0.17 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -3.802 16.108 2.116) 16.686 2.236 ( 5.512 16.734 -5.054) 18.329 2.275 ( -9.829 21.546 -2.648) 23.830 2.432 ( -7.387 19.007 -0.861) 20.410 3.134 ( -12.350 -0.453 -0.931) 12.393 3.284 ( 18.377 7.180 0.562) 19.738 3.411 ( 0.439 6.240 1.316) 6.393 3.573 ( -1.397 1.835 6.746) 7.129 3.602 ( 2.456 4.501 -1.473) 5.334 3.783 ( 6.292 9.098 0.233) 11.064 3.838 ( -1.763 12.905 -1.508) 13.112 4.044 ( -4.783 -0.965 11.471) 12.465 4.059 ( -0.921 7.298 0.192) 7.358 4.170 ( 5.437 6.167 -4.520) 9.382 4.302 ( -5.185 0.038 -1.781) 5.482 4.457 ( 2.910 -3.223 -5.759) 7.213 4.610 ( -1.847 -9.877 2.617) 10.383 4.675 ( -1.999 6.487 6.804) 9.611 4.802 ( -1.657 5.076 -7.392) 9.118 4.819 ( -1.713 -4.957 -5.971) 7.947 4.912 ( 8.968 1.021 1.114) 9.095 5.011 ( -9.092 -8.723 0.525) 12.611 5.037 ( 6.721 -3.197 -1.579) 7.608 5.219 ( 3.349 -0.483 -5.268) 6.261 5.324 ( -8.203 -5.506 2.583) 10.212 5.488 ( 6.887 4.953 -2.022) 8.721 5.675 ( -0.081 0.934 11.684) 11.722 5.686 ( 3.188 4.436 -0.109) 5.464 5.705 ( 3.458 -3.714 -2.701) 5.749 5.929 ( 1.651 3.488 -1.332) 4.082 5.973 ( 0.140 6.415 1.982) 6.716 6.039 ( -1.379 5.386 7.878) 9.642 6.155 ( -4.498 -0.105 -3.243) 5.546 6.373 ( -12.961 -3.463 -1.238) 13.472 6.388 ( 1.431 0.011 4.781) 4.990 6.565 ( -5.701 -5.823 0.911) 8.200 6.816 ( -0.053 0.453 -8.055) 8.068 6.851 ( -2.015 -4.370 5.895) 7.609 6.949 ( -7.390 1.766 -5.155) 9.182 7.054 ( -3.864 9.039 1.911) 10.014 7.326 ( -10.291 -1.106 -2.400) 10.625 7.446 ( 0.526 3.834 1.226) 4.059 7.478 ( -2.463 19.003 -0.992) 19.188 7.619 ( -1.278 14.769 -2.693) 15.067 8.158 ( 19.069 -10.810 -2.000) 22.010 8.201 ( 16.917 -9.869 2.071) 19.694 8.433 ( 1.868 12.679 2.403) 13.039 8.448 ( -0.012 5.122 0.315) 5.132 8.569 ( 0.768 6.288 -0.106) 6.336 8.588 ( 2.567 10.994 -3.695) 11.879 8.868 ( 4.487 6.299 1.725) 7.924 8.929 ( 8.773 2.393 -1.316) 9.188 9.862 ( -6.498 12.534 1.130) 14.163 9.948 ( -5.053 10.213 1.158) 11.454 10.317 ( -5.900 10.350 -0.058) 11.914 10.493 ( -5.280 9.939 -0.830) 11.285 10.588 ( -2.317 7.395 0.520) 7.767 10.640 ( -2.249 4.025 0.317) 4.622 10.764 ( 4.648 3.045 1.406) 5.732 10.880 ( 4.784 5.114 -0.924) 7.063 11.443 ( -0.780 -0.400 0.260) 0.914 11.687 ( 4.719 -5.518 -0.190) 7.263 12.193 ( -12.862 3.315 -1.620) 13.381 12.229 ( -13.490 0.503 0.903) 13.529 12.682 ( -3.147 -8.747 -2.527) 9.633 12.753 ( -1.257 -4.478 2.284) 5.182 12.849 ( 0.603 -15.719 -3.624) 16.143 12.982 ( -1.514 -11.310 4.384) 12.224 13.164 ( 5.679 -12.465 -1.041) 13.737 13.216 ( 4.896 -13.375 -0.205) 14.244 13.365 ( -4.802 -17.422 -1.201) 18.112 13.463 ( -5.554 -16.819 2.248) 17.854 13.929 ( 6.892 -15.349 -0.424) 16.830 13.964 ( 9.456 -15.913 0.158) 18.511 14.617 ( 2.128 -17.907 -0.017) 18.033 14.658 ( 3.858 -18.595 0.053) 18.991 17.200 ( 3.752 29.497 5.467) 30.233 17.225 ( 7.253 29.716 -5.084) 31.008 18.520 ( -23.745 14.244 -0.729) 27.699 18.545 ( -25.763 11.965 0.696) 28.415 19.625 ( 28.111 1.968 0.917) 28.195 19.708 ( 29.363 1.477 -0.698) 29.408 21.597 ( -4.272 -17.147 -0.281) 17.673 21.683 ( -0.778 -18.744 1.015) 18.787 22.485 ( -4.263 12.568 0.710) 13.291 22.553 ( -2.200 11.026 -0.506) 11.254 23.201 ( -6.038 4.798 -2.983) 8.269 23.270 ( -4.704 4.432 2.271) 6.850 28.402 ( 1.996 -0.562 -0.288) 2.094 28.433 ( 3.129 -1.154 0.292) 3.348 28.575 ( -0.521 -3.093 -0.645) 3.202 28.608 ( 0.362 -3.467 0.604) 3.538 29.298 ( 5.331 15.210 -6.203) 17.270 29.306 ( 2.882 16.040 7.132) 17.789 29.925 ( -7.225 9.061 1.182) 11.649 30.037 ( -4.424 10.314 -1.018) 11.269 30.175 ( 0.463 0.546 -4.150) 4.211 30.233 ( -1.076 1.992 0.656) 2.357 30.522 ( 3.352 9.908 -7.779) 13.036 30.756 ( 0.108 10.841 14.023) 17.725 30.938 ( 4.586 6.548 0.145) 7.996 30.999 ( 5.037 -1.749 -0.265) 5.338 31.303 ( -2.680 -1.426 0.213) 3.044 31.383 ( -1.864 -4.302 1.694) 4.985 31.439 ( 5.497 -1.112 1.570) 5.823 31.538 ( 5.770 -2.107 0.319) 6.151 32.365 ( -9.640 -23.447 -10.829) 27.567 32.616 ( -3.529 -23.310 3.727) 23.868 ======================= Grid point 170 (75/84) ======================= q-point: ( 0.33 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 12.961 -2.914 1.603) 13.381 2.324 ( 16.593 2.698 -2.277) 16.964 2.419 ( 11.868 12.715 -2.542) 17.578 2.548 ( 11.715 17.029 2.326) 20.800 2.854 ( -11.761 2.731 0.525) 12.086 3.207 ( -13.614 6.423 0.951) 15.083 3.387 ( -10.203 -1.288 2.976) 10.706 3.552 ( -14.143 -8.730 -4.334) 17.176 3.571 ( -13.227 6.042 1.679) 14.638 3.660 ( -3.427 16.156 -1.115) 16.553 3.879 ( -2.652 -9.379 -1.014) 9.799 3.958 ( -4.192 -4.867 4.855) 8.051 4.132 ( 8.112 6.521 4.659) 11.404 4.166 ( 0.533 1.466 -4.827) 5.073 4.264 ( -0.316 -1.871 -1.896) 2.682 4.410 ( -7.882 1.776 0.430) 8.091 4.428 ( -2.122 -13.277 -3.675) 13.939 4.712 ( 2.077 6.438 -7.233) 9.903 4.757 ( 3.465 0.558 6.601) 7.476 4.876 ( 2.057 -2.796 -0.801) 3.562 4.925 ( 2.982 -2.471 0.028) 3.872 5.108 ( 4.673 3.178 -1.130) 5.763 5.176 ( 5.961 1.008 -0.068) 6.046 5.212 ( -2.490 -5.323 3.071) 6.631 5.460 ( 15.332 10.715 -0.338) 18.708 5.606 ( -2.051 5.973 -1.221) 6.432 5.652 ( 1.008 4.898 2.827) 5.744 5.709 ( 5.304 4.705 -3.337) 7.836 5.831 ( 1.249 -3.539 3.201) 4.933 5.845 ( -5.456 1.947 -3.575) 6.808 5.881 ( -9.705 1.467 -1.031) 9.870 6.066 ( -0.540 0.920 7.292) 7.370 6.151 ( 3.703 1.263 2.482) 4.633 6.197 ( 2.165 6.700 -2.616) 7.511 6.387 ( -4.855 -0.576 3.282) 5.889 6.491 ( -4.946 3.793 2.564) 6.740 6.606 ( -3.293 6.411 -6.918) 9.990 6.869 ( 0.220 0.471 7.685) 7.702 6.975 ( -3.964 5.871 0.052) 7.084 7.007 ( 1.912 6.067 -2.009) 6.671 7.108 ( -3.240 8.942 0.255) 9.514 7.356 ( -7.333 10.681 -3.992) 13.557 7.498 ( -0.622 10.046 1.437) 10.167 7.547 ( -3.086 11.282 -5.126) 12.770 8.281 ( 2.663 0.801 -0.828) 2.901 8.427 ( 1.339 5.984 2.851) 6.762 8.497 ( 0.066 -3.982 0.969) 4.099 8.552 ( 0.689 0.709 -4.519) 4.626 8.679 ( 8.381 16.077 1.107) 18.164 8.692 ( 13.060 14.656 -1.766) 19.710 9.022 ( 9.634 -1.995 3.423) 10.417 9.170 ( 12.812 -6.365 -1.818) 14.421 9.748 ( -1.333 11.616 -1.096) 11.743 9.831 ( -3.598 12.494 1.285) 13.066 10.205 ( -7.991 9.556 3.502) 12.940 10.356 ( -11.165 10.369 -0.821) 15.260 10.524 ( -2.893 2.586 -0.526) 3.916 10.591 ( 1.237 6.052 -0.834) 6.233 10.808 ( -2.453 4.961 2.324) 6.003 10.872 ( -3.786 7.618 -3.133) 9.066 11.504 ( 3.859 -4.420 1.457) 6.045 11.671 ( -5.566 -8.945 1.508) 10.643 11.994 ( -5.590 -7.360 2.444) 9.560 12.032 ( -1.935 -3.064 -4.442) 5.733 12.603 ( -1.998 -3.986 -2.157) 4.953 12.710 ( -3.704 -6.815 -0.501) 7.772 12.845 ( 0.782 -9.794 -2.199) 10.068 12.939 ( -3.639 -13.420 3.920) 14.447 13.277 ( 2.587 -18.795 0.973) 18.997 13.287 ( 5.681 -10.549 -1.151) 12.036 13.372 ( 0.749 -17.533 1.478) 17.611 13.395 ( -1.173 -19.850 -0.673) 19.896 14.020 ( 2.582 -17.222 1.426) 17.473 14.081 ( 2.323 -17.862 -1.376) 18.065 14.688 ( 4.153 -12.115 0.132) 12.808 14.737 ( 2.935 -13.359 -0.001) 13.677 17.357 ( 9.026 25.999 3.681) 27.767 17.390 ( 10.605 26.251 -2.997) 28.471 18.066 ( -20.701 16.735 2.322) 26.721 18.080 ( -18.744 15.597 -2.587) 24.522 20.190 ( 25.808 1.715 0.399) 25.868 20.282 ( 25.691 1.652 -0.222) 25.745 21.412 ( -13.226 -8.368 -0.103) 15.651 21.539 ( -14.174 -9.882 0.839) 17.299 22.488 ( 4.526 6.338 0.819) 7.831 22.567 ( 4.376 5.151 -0.517) 6.778 23.040 ( -7.235 2.502 -2.933) 8.198 23.135 ( -9.005 1.993 1.991) 9.435 28.451 ( 2.636 -1.860 -0.318) 3.242 28.496 ( 1.995 -2.278 0.691) 3.106 28.566 ( 0.260 -4.063 -1.064) 4.208 28.609 ( -0.705 -4.143 0.684) 4.258 29.394 ( 6.771 13.677 -6.272) 16.500 29.426 ( 4.076 13.570 7.790) 16.169 29.793 ( -5.590 11.823 1.690) 13.186 29.904 ( -6.694 10.632 -2.603) 12.831 30.168 ( 1.169 4.261 -5.153) 6.788 30.204 ( -2.178 3.728 2.440) 4.960 30.594 ( 5.915 7.606 -5.133) 10.917 30.750 ( -4.205 7.311 8.327) 11.852 31.030 ( 4.465 3.965 -1.692) 6.206 31.141 ( 5.161 -5.810 -1.969) 8.017 31.250 ( -2.276 1.354 5.852) 6.424 31.362 ( -1.590 -3.964 1.128) 4.418 31.564 ( 5.212 -4.365 3.123) 7.482 31.696 ( 7.173 -6.545 1.809) 9.877 32.140 ( -4.279 -16.952 -9.053) 19.688 32.477 ( -10.526 -18.054 0.099) 20.899 ======================= Grid point 171 (76/84) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -6.713 -2.414 0.376) 7.144 2.550 ( 6.713 -2.414 -0.376) 7.144 2.681 ( -6.923 3.487 -3.751) 8.612 2.681 ( 6.923 3.487 3.751) 8.612 2.929 ( -15.953 2.206 2.144) 16.246 2.929 ( 15.953 2.206 -2.144) 16.247 3.066 ( -7.598 -12.215 -0.733) 14.404 3.066 ( 7.598 -12.215 0.733) 14.404 3.535 ( -4.480 17.141 -5.754) 18.628 3.535 ( 4.480 17.141 5.754) 18.628 3.900 ( 1.401 -2.420 -4.317) 5.144 3.900 ( -1.401 -2.420 4.317) 5.144 4.156 ( 2.408 -0.244 -2.208) 3.276 4.156 ( -2.408 -0.244 2.208) 3.276 4.298 ( -1.918 -3.771 -2.838) 5.094 4.298 ( 1.918 -3.771 2.838) 5.094 4.588 ( -9.826 -1.193 -4.705) 10.959 4.588 ( 9.826 -1.193 4.705) 10.959 4.854 ( -1.335 -4.606 -0.281) 4.804 4.854 ( 1.335 -4.606 0.281) 4.804 5.126 ( -4.743 3.742 -4.152) 7.331 5.126 ( 4.743 3.742 4.152) 7.331 5.215 ( -1.854 1.363 -0.239) 2.314 5.215 ( 1.854 1.363 0.239) 2.314 5.509 ( -1.204 2.761 -0.450) 3.046 5.509 ( 1.204 2.761 0.450) 3.046 5.755 ( 2.492 -0.336 -5.500) 6.048 5.755 ( -2.492 -0.336 5.500) 6.048 5.782 ( -0.148 2.987 -3.514) 4.615 5.782 ( 0.148 2.987 3.514) 4.615 5.931 ( -9.702 2.267 -4.136) 10.788 5.931 ( 9.702 2.267 4.136) 10.788 6.209 ( -0.776 10.418 -1.351) 10.534 6.209 ( 0.776 10.418 1.351) 10.534 6.432 ( -3.841 9.908 -3.151) 11.083 6.432 ( 3.841 9.908 3.151) 11.083 6.725 ( -9.871 4.863 -8.580) 13.954 6.725 ( 9.871 4.863 8.580) 13.954 6.999 ( -7.343 2.278 -8.874) 11.741 6.999 ( 7.343 2.278 8.874) 11.741 7.152 ( -5.871 10.372 -3.400) 12.394 7.152 ( 5.871 10.372 3.400) 12.394 7.493 ( 1.687 9.404 -6.494) 11.553 7.493 ( -1.687 9.404 6.494) 11.553 8.370 ( 0.889 5.592 -2.417) 6.156 8.370 ( -0.889 5.592 2.417) 6.156 8.524 ( -0.079 -0.742 -2.378) 2.492 8.524 ( 0.079 -0.742 2.378) 2.492 8.793 ( -1.518 16.985 -2.748) 17.273 8.793 ( 1.518 16.985 2.748) 17.273 9.231 ( -4.895 -3.667 -5.266) 8.071 9.231 ( 4.895 -3.667 5.266) 8.071 9.872 ( -3.581 6.836 -0.247) 7.721 9.872 ( 3.581 6.836 0.247) 7.721 10.062 ( -3.209 10.920 -5.865) 12.804 10.062 ( 3.209 10.920 5.865) 12.804 10.576 ( -0.750 3.946 -6.294) 7.466 10.576 ( 0.750 3.946 6.294) 7.466 10.775 ( -0.494 7.094 -5.518) 9.001 10.775 ( 0.494 7.094 5.518) 9.001 11.575 ( 0.732 -9.259 -3.145) 9.806 11.575 ( -0.732 -9.259 3.145) 9.806 11.994 ( -0.303 -5.296 -6.065) 8.058 11.994 ( 0.303 -5.296 6.065) 8.058 12.614 ( -1.826 -7.156 -2.528) 7.806 12.614 ( 1.826 -7.156 2.528) 7.806 12.883 ( 2.832 -8.613 -4.612) 10.172 12.883 ( -2.832 -8.613 4.612) 10.172 13.336 ( -1.803 -21.019 -1.432) 21.145 13.336 ( 1.803 -21.019 1.432) 21.145 13.376 ( -2.809 -16.475 0.422) 16.718 13.376 ( 2.809 -16.475 -0.422) 16.718 14.072 ( -1.465 -16.954 -2.345) 17.178 14.072 ( 1.465 -16.954 2.345) 17.178 14.753 ( -1.096 -10.569 -0.329) 10.631 14.753 ( 1.096 -10.569 0.329) 10.631 17.545 ( 0.061 22.831 -5.054) 23.383 17.545 ( -0.061 22.831 5.054) 23.383 17.800 ( -0.198 19.370 -4.025) 19.784 17.800 ( 0.198 19.370 4.025) 19.784 20.575 ( -2.752 1.247 -2.306) 3.801 20.575 ( 2.752 1.247 2.306) 3.801 21.252 ( -5.688 -4.267 -0.828) 7.159 21.252 ( 5.688 -4.267 0.828) 7.159 22.609 ( -1.630 3.252 -1.584) 3.968 22.609 ( 1.630 3.252 1.584) 3.968 22.975 ( 4.853 0.289 -2.611) 5.519 22.975 ( -4.853 0.289 2.611) 5.519 28.497 ( -0.170 -2.256 -0.348) 2.289 28.497 ( 0.170 -2.256 0.348) 2.289 28.586 ( 1.697 -4.626 -0.949) 5.018 28.586 ( -1.697 -4.626 0.949) 5.018 29.481 ( 3.726 11.793 -7.451) 14.439 29.481 ( -3.726 11.793 7.451) 14.439 29.772 ( -3.239 13.081 -2.612) 13.727 29.772 ( 3.239 13.081 2.612) 13.727 30.176 ( 1.979 4.440 -4.459) 6.597 30.176 ( -1.979 4.440 4.459) 6.597 30.687 ( 5.035 6.971 -7.043) 11.115 30.687 ( -5.035 6.971 7.043) 11.115 31.114 ( -3.292 -0.758 -1.649) 3.759 31.114 ( 3.292 -0.758 1.649) 3.759 31.311 ( -2.071 -2.109 -4.949) 5.765 31.311 ( 2.071 -2.109 4.949) 5.765 31.694 ( -4.820 -9.534 -4.150) 11.461 31.694 ( 4.820 -9.534 4.150) 11.461 32.227 ( -8.307 -13.097 -3.097) 15.815 32.227 ( 8.307 -13.097 3.097) 15.815 ======================= Grid point 175 (77/84) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 1.268 22.441 -2.597) 22.627 2.601 ( -1.268 22.441 2.597) 22.627 3.106 ( -13.910 12.880 -3.755) 19.325 3.106 ( 13.910 12.880 3.755) 19.325 3.225 ( -14.090 8.101 -5.922) 17.298 3.225 ( 14.090 8.101 5.922) 17.298 3.409 ( -4.372 -3.721 -1.392) 5.907 3.409 ( 4.372 -3.721 1.392) 5.907 3.727 ( -5.429 -1.226 -4.887) 7.407 3.727 ( 5.429 -1.226 4.887) 7.407 3.992 ( -6.551 -3.390 -8.033) 10.906 3.992 ( 6.551 -3.390 8.033) 10.906 4.179 ( -5.297 3.021 -1.886) 6.383 4.179 ( 5.297 3.021 1.886) 6.383 4.395 ( -6.425 1.291 -2.183) 6.907 4.395 ( 6.425 1.291 2.183) 6.907 4.560 ( -4.534 -1.870 0.020) 4.905 4.560 ( 4.534 -1.870 -0.020) 4.905 4.806 ( -5.669 -3.404 -4.972) 8.273 4.806 ( 5.669 -3.404 4.972) 8.273 4.941 ( -3.137 2.251 -1.181) 4.038 4.941 ( 3.137 2.251 1.181) 4.038 5.214 ( -5.978 -0.336 -4.545) 7.517 5.214 ( 5.978 -0.336 4.545) 7.517 5.352 ( -1.964 1.096 -4.269) 4.825 5.352 ( 1.964 1.096 4.269) 4.825 5.614 ( -9.497 2.666 -9.623) 13.780 5.614 ( 9.497 2.666 9.623) 13.780 5.797 ( 3.489 -0.113 -4.416) 5.629 5.797 ( -3.489 -0.113 4.416) 5.629 6.183 ( -3.952 5.580 -2.637) 7.329 6.183 ( 3.952 5.580 2.637) 7.329 6.282 ( -5.175 1.407 -4.667) 7.109 6.282 ( 5.175 1.407 4.667) 7.109 6.498 ( 0.678 -2.497 -3.688) 4.505 6.498 ( -0.678 -2.497 3.688) 4.505 6.733 ( 2.027 -4.317 -2.880) 5.572 6.733 ( -2.027 -4.317 2.880) 5.572 7.078 ( -4.794 -16.083 -7.381) 18.334 7.078 ( 4.794 -16.083 7.381) 18.334 7.370 ( -7.790 5.628 -4.549) 10.632 7.370 ( 7.790 5.628 4.549) 10.632 7.628 ( -9.235 -7.149 -3.420) 12.169 7.628 ( 9.235 -7.149 3.420) 12.169 8.048 ( -0.479 19.112 -1.050) 19.147 8.048 ( 0.479 19.112 1.050) 19.147 8.552 ( 4.534 -2.163 -3.754) 6.271 8.552 ( -4.534 -2.163 3.754) 6.271 8.814 ( -3.878 13.139 -0.036) 13.699 8.814 ( 3.878 13.139 0.036) 13.699 8.954 ( 0.220 4.611 -1.993) 5.028 8.954 ( -0.220 4.611 1.993) 5.028 10.302 ( -2.360 22.059 -0.807) 22.200 10.302 ( 2.360 22.059 0.807) 22.200 10.628 ( -4.761 4.018 -3.606) 7.198 10.628 ( 4.761 4.018 3.606) 7.198 10.759 ( -5.827 6.054 0.656) 8.429 10.759 ( 5.827 6.054 -0.656) 8.429 10.908 ( -2.613 10.940 -4.553) 12.135 10.908 ( 2.613 10.940 4.553) 12.135 11.485 ( 1.110 -3.531 -4.140) 5.554 11.485 ( -1.110 -3.531 4.140) 5.554 12.069 ( -0.512 -36.296 -1.351) 36.325 12.069 ( 0.512 -36.296 1.351) 36.325 12.557 ( -4.395 2.711 -2.499) 5.737 12.557 ( 4.395 2.711 2.499) 5.737 12.795 ( -2.234 -12.957 -2.047) 13.307 12.795 ( 2.234 -12.957 2.047) 13.307 12.948 ( -1.586 1.242 -4.880) 5.279 12.948 ( 1.586 1.242 4.880) 5.279 13.221 ( -4.000 -9.606 -3.341) 10.928 13.221 ( 4.000 -9.606 3.341) 10.928 13.707 ( 1.076 2.360 -1.100) 2.817 13.707 ( -1.076 2.360 1.100) 2.817 14.201 ( -0.857 -17.843 -0.284) 17.866 14.201 ( 0.857 -17.843 0.284) 17.866 17.741 ( 1.908 26.089 -5.579) 26.747 17.741 ( -1.908 26.089 5.579) 26.747 18.682 ( 0.167 -21.181 -2.153) 21.291 18.682 ( -0.167 -21.181 2.153) 21.291 19.786 ( -0.119 36.664 -1.044) 36.679 19.786 ( 0.119 36.664 1.044) 36.679 21.149 ( -1.018 -27.935 -0.335) 27.956 21.149 ( 1.018 -27.935 0.335) 27.956 22.855 ( -0.306 14.119 -1.014) 14.159 22.855 ( 0.306 14.119 1.014) 14.159 23.299 ( -0.912 -4.657 -1.923) 5.121 23.299 ( 0.912 -4.657 1.923) 5.121 28.406 ( -0.340 1.595 -0.157) 1.638 28.406 ( 0.340 1.595 0.157) 1.638 28.523 ( -0.446 -3.550 -0.393) 3.600 28.523 ( 0.446 -3.550 0.393) 3.600 29.558 ( 1.030 12.209 -5.768) 13.543 29.558 ( -1.030 12.209 5.768) 13.543 30.108 ( 2.392 -3.852 -3.981) 6.034 30.108 ( -2.392 -3.852 3.981) 6.034 30.293 ( 0.845 10.052 -2.648) 10.429 30.293 ( -0.845 10.052 2.648) 10.429 30.678 ( -3.782 -2.849 -3.195) 5.712 30.678 ( 3.782 -2.849 3.195) 5.712 31.074 ( -0.888 7.450 -4.791) 8.902 31.074 ( 0.888 7.450 4.791) 8.902 31.279 ( -0.287 -2.733 -1.670) 3.215 31.279 ( 0.287 -2.733 1.670) 3.215 31.491 ( -1.969 5.275 -1.937) 5.954 31.491 ( 1.969 5.275 1.937) 5.954 32.108 ( -4.900 -19.091 -4.973) 20.328 32.108 ( 4.900 -19.091 4.973) 20.328 ======================= Grid point 177 (78/84) ======================= q-point: ( 0.17 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -13.266 18.504 2.439) 22.898 2.638 ( 2.530 21.613 1.430) 21.808 2.755 ( -20.006 21.025 -7.629) 30.008 2.839 ( -4.780 19.944 -1.260) 20.547 3.113 ( -12.553 -0.558 -3.055) 12.931 3.314 ( -5.173 -3.940 -0.040) 6.503 3.461 ( 0.146 0.746 0.011) 0.760 3.503 ( 6.664 -4.795 3.911) 9.093 3.641 ( 3.775 -4.561 6.728) 8.962 3.745 ( -3.943 -9.685 6.004) 12.058 3.897 ( -4.283 -10.132 -7.754) 13.458 3.990 ( -7.733 -6.602 -4.661) 11.185 4.160 ( -4.619 1.097 0.852) 4.823 4.275 ( 2.335 3.202 0.595) 4.008 4.330 ( -6.932 6.672 -1.595) 9.753 4.380 ( -0.155 4.432 1.923) 4.834 4.508 ( 2.060 -1.171 -0.694) 2.469 4.601 ( -8.867 -5.909 2.833) 11.026 4.694 ( 2.695 -6.426 -2.253) 7.323 4.800 ( -4.967 -4.778 1.239) 7.002 4.948 ( 1.532 0.039 2.960) 3.333 5.014 ( 0.849 1.382 2.112) 2.663 5.188 ( 8.684 2.185 -1.240) 9.040 5.205 ( -1.602 4.386 -4.823) 6.713 5.287 ( 3.854 5.436 2.969) 7.295 5.563 ( 9.625 -4.159 -0.306) 10.490 5.592 ( 10.902 5.579 -5.736) 13.523 5.695 ( -2.308 0.762 2.847) 3.743 5.802 ( 3.706 4.088 -1.539) 5.728 5.972 ( 3.834 -0.621 0.851) 3.976 6.077 ( -3.158 2.701 -1.136) 4.308 6.150 ( -7.970 0.033 0.287) 7.975 6.206 ( -1.114 7.458 -0.109) 7.541 6.306 ( -8.290 2.445 4.623) 9.801 6.434 ( 3.054 -4.106 1.423) 5.312 6.544 ( 1.546 10.656 2.920) 11.157 6.727 ( -0.015 -7.171 3.791) 8.111 6.823 ( 7.872 1.499 -3.196) 8.628 6.936 ( -3.395 -4.752 -6.303) 8.593 7.175 ( 1.503 -0.868 2.578) 3.108 7.357 ( 0.239 2.982 -0.154) 2.996 7.442 ( 4.061 0.171 -1.098) 4.210 7.753 ( 15.059 -6.695 -0.597) 16.491 7.840 ( 10.280 -12.315 -0.398) 16.047 7.985 ( -2.437 18.221 -0.988) 18.410 8.050 ( 0.040 11.646 0.574) 11.660 8.464 ( -4.310 -2.949 2.156) 5.650 8.567 ( -0.855 -3.424 -5.045) 6.157 8.795 ( 3.251 13.918 1.261) 14.348 8.940 ( 6.494 12.835 0.206) 14.386 8.993 ( 4.097 3.434 -1.017) 5.442 9.010 ( 3.937 6.077 1.669) 7.430 10.202 ( -7.065 19.400 0.352) 20.649 10.287 ( -5.077 23.796 0.928) 24.349 10.497 ( -4.884 5.997 0.627) 7.760 10.595 ( -4.501 5.198 1.082) 6.960 10.742 ( -0.467 7.678 -1.910) 7.925 10.813 ( 0.046 7.415 -1.547) 7.575 10.879 ( 1.751 5.579 -1.474) 6.031 11.044 ( 5.106 10.314 4.547) 12.375 11.421 ( -2.255 -1.165 1.305) 2.854 11.545 ( 1.138 -7.491 -2.271) 7.910 11.948 ( -8.522 -26.607 1.263) 27.967 12.016 ( -8.100 -23.976 -0.372) 25.311 12.411 ( -3.765 -8.572 -2.695) 9.743 12.483 ( -8.419 -8.184 0.280) 11.745 12.668 ( -7.086 -12.852 -0.718) 14.694 12.749 ( -7.227 -13.495 -0.211) 15.310 12.968 ( 1.523 -1.732 -1.778) 2.912 13.002 ( 0.897 -5.653 2.569) 6.274 13.164 ( 0.936 -5.356 -0.902) 5.512 13.246 ( -2.163 -7.211 2.007) 7.791 13.768 ( 5.799 2.291 1.405) 6.392 13.823 ( 7.925 2.524 -1.428) 8.439 14.268 ( 6.653 -16.149 0.108) 17.466 14.300 ( 7.655 -16.105 -0.080) 17.832 17.756 ( 1.082 24.434 4.431) 24.856 17.778 ( 4.046 24.027 -4.360) 24.752 18.522 ( -12.051 -10.391 -2.202) 16.063 18.530 ( -13.007 -11.005 2.112) 17.168 19.977 ( 17.327 27.939 0.666) 32.882 20.028 ( 19.225 25.674 -0.534) 32.079 21.165 ( 1.996 -24.511 -0.720) 24.602 21.210 ( 3.610 -26.725 1.019) 26.987 22.769 ( -6.451 14.257 0.130) 15.649 22.804 ( -5.246 12.838 0.043) 13.868 23.201 ( -7.221 -4.466 -1.926) 8.706 23.253 ( -6.136 -5.659 1.597) 8.499 28.410 ( 0.712 1.281 -0.162) 1.475 28.425 ( 1.346 0.444 0.136) 1.424 28.509 ( -0.673 -3.166 -0.321) 3.253 28.530 ( -0.043 -3.913 0.321) 3.926 29.583 ( 3.970 11.746 -5.278) 13.475 29.600 ( 1.829 11.644 6.356) 13.391 30.050 ( -4.302 1.210 2.893) 5.323 30.098 ( -0.912 -3.531 -4.654) 5.913 30.301 ( 0.234 8.982 2.123) 9.232 30.303 ( 0.597 9.299 -1.770) 9.485 30.614 ( -0.273 -0.896 -1.149) 1.482 30.770 ( 2.908 -7.105 -0.988) 7.740 31.045 ( -0.282 6.920 -1.014) 6.999 31.132 ( 1.845 8.003 5.018) 9.625 31.243 ( -1.251 -3.370 1.055) 3.746 31.287 ( -1.385 -3.018 0.476) 3.354 31.498 ( 3.580 2.560 1.056) 4.526 31.547 ( 2.045 4.631 0.300) 5.071 31.955 ( -6.179 -15.516 -5.734) 17.658 32.184 ( 0.294 -18.537 1.396) 18.592 ======================= Grid point 178 (79/84) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -7.092 8.527 4.320) 11.903 2.426 ( -5.549 8.473 -4.964) 11.280 2.709 ( 0.426 12.023 3.537) 12.540 2.836 ( -4.695 1.627 0.142) 4.971 2.892 ( -8.437 0.665 -2.632) 8.863 3.102 ( -6.498 -2.274 -6.134) 9.221 3.262 ( -22.155 -9.123 1.704) 24.020 3.427 ( -12.961 -4.537 1.863) 13.858 3.638 ( 3.598 -4.816 -3.691) 7.054 3.741 ( 1.296 0.738 2.989) 3.340 3.879 ( 2.790 -6.173 0.548) 6.797 4.011 ( 3.986 6.827 4.626) 9.160 4.052 ( -5.528 2.226 3.169) 6.749 4.200 ( -7.422 -2.948 -6.961) 10.594 4.235 ( -0.407 4.483 -0.186) 4.505 4.323 ( 1.141 3.076 -2.605) 4.189 4.416 ( -1.772 -0.047 1.582) 2.375 4.677 ( 3.689 -7.028 5.365) 9.581 4.705 ( -2.625 -5.310 3.410) 6.835 4.786 ( 5.586 -5.623 -4.790) 9.261 4.952 ( -0.111 2.230 -0.190) 2.241 5.032 ( 0.254 -3.140 2.636) 4.108 5.159 ( -1.095 1.922 -1.930) 2.936 5.310 ( 3.798 0.713 2.650) 4.686 5.553 ( 7.640 0.468 0.945) 7.712 5.626 ( -4.165 0.268 -2.124) 4.683 5.683 ( 3.353 -4.163 -4.107) 6.740 5.723 ( -1.009 -1.801 -2.045) 2.906 5.795 ( -3.644 0.454 -5.471) 6.589 5.901 ( -3.065 2.949 2.918) 5.158 6.022 ( -5.975 4.276 -3.614) 8.188 6.045 ( -6.981 -0.428 2.101) 7.303 6.208 ( 12.601 6.733 -1.417) 14.357 6.379 ( 15.433 6.148 6.477) 17.830 6.525 ( -0.972 11.892 5.343) 13.073 6.607 ( 7.308 5.558 -0.055) 9.182 6.704 ( -0.922 2.869 -6.143) 6.842 6.831 ( -0.221 -3.108 9.105) 9.624 7.109 ( -0.193 7.522 2.513) 7.933 7.225 ( 3.074 14.061 -3.339) 14.775 7.247 ( 2.177 4.554 -1.216) 5.192 7.528 ( -1.422 8.792 -2.431) 9.232 7.796 ( -5.398 11.735 1.073) 12.962 7.881 ( -5.947 21.543 -2.335) 22.470 8.114 ( 15.265 -16.206 1.469) 22.312 8.239 ( 11.928 -12.907 -3.819) 17.985 8.427 ( -1.154 -7.130 3.368) 7.970 8.512 ( -1.820 -5.987 -5.469) 8.311 8.914 ( 7.023 11.202 2.534) 13.462 9.050 ( 3.554 10.520 0.472) 11.114 9.094 ( 4.444 4.602 -0.058) 6.398 9.123 ( 6.504 2.834 -0.020) 7.094 10.073 ( -3.032 18.354 0.092) 18.602 10.156 ( -4.818 18.513 0.011) 19.129 10.413 ( -5.953 7.243 4.141) 10.249 10.584 ( -11.402 9.872 0.283) 15.085 10.610 ( 1.234 7.109 0.464) 7.230 10.766 ( 0.573 10.640 -5.120) 11.822 10.929 ( -0.293 4.880 -0.210) 4.894 11.038 ( -6.968 7.748 0.470) 10.432 11.404 ( -1.132 -2.902 2.152) 3.786 11.484 ( -4.649 -6.690 0.372) 8.156 11.813 ( -2.708 -11.150 2.351) 11.712 11.889 ( -1.639 -10.686 -2.825) 11.174 12.351 ( -3.009 -17.123 1.360) 17.439 12.406 ( 2.175 -22.791 -3.303) 23.132 12.514 ( -5.804 -15.438 -4.134) 17.003 12.601 ( -7.184 -20.803 2.735) 22.177 12.953 ( -0.897 -3.958 1.046) 4.191 13.011 ( -1.583 -8.265 0.573) 8.435 13.172 ( -0.019 -7.724 0.111) 7.724 13.215 ( -1.323 -7.055 0.289) 7.184 13.900 ( 5.472 5.569 1.783) 8.008 13.953 ( 4.672 4.691 -1.677) 6.830 14.418 ( 6.605 -13.936 0.104) 15.423 14.450 ( 5.659 -14.294 -0.028) 15.373 17.832 ( 4.256 19.757 3.776) 20.560 17.861 ( 5.943 19.129 -3.597) 20.351 18.253 ( -11.927 1.883 -1.580) 12.177 18.267 ( -12.356 1.439 1.419) 12.520 20.387 ( 20.170 16.689 1.137) 26.204 20.455 ( 20.523 14.263 -1.063) 25.015 21.169 ( -2.215 -15.266 -1.484) 15.497 21.242 ( -2.931 -18.575 1.948) 18.906 22.658 ( -2.698 9.944 0.319) 10.308 22.706 ( -2.567 8.443 -0.206) 8.827 23.014 ( -8.894 -4.618 -1.815) 10.185 23.085 ( -10.123 -6.293 1.379) 11.999 28.431 ( 1.319 -0.019 -0.121) 1.324 28.457 ( 1.347 -1.237 0.270) 1.849 28.493 ( -0.516 -2.851 -0.496) 2.940 28.523 ( -0.806 -3.937 0.334) 4.033 29.652 ( 4.993 10.700 -5.323) 12.952 29.679 ( 1.835 10.107 6.741) 12.286 29.984 ( -3.124 4.953 2.912) 6.540 30.039 ( -2.338 0.954 -4.379) 5.055 30.298 ( -0.051 8.740 -0.935) 8.790 30.308 ( -0.252 8.854 0.310) 8.863 30.648 ( 2.833 -2.250 1.789) 4.036 30.776 ( -0.698 -5.785 -3.456) 6.775 31.056 ( 1.246 2.887 1.194) 3.364 31.147 ( -1.244 2.463 -1.729) 3.256 31.253 ( -0.431 -5.400 -0.081) 5.418 31.264 ( -0.275 -0.412 4.760) 4.785 31.570 ( 0.792 0.783 0.793) 1.367 31.607 ( 3.742 1.549 1.487) 4.314 31.857 ( 0.589 -9.579 -1.918) 9.787 32.131 ( -5.136 -15.311 -2.080) 16.283 ======================= Grid point 179 (80/84) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -11.669 -7.383 -3.244) 14.184 2.379 ( 11.669 -7.383 3.244) 14.184 2.596 ( -2.700 -14.295 -2.238) 14.719 2.596 ( 2.700 -14.295 2.238) 14.719 2.888 ( 1.079 8.771 -7.160) 11.373 2.888 ( -1.079 8.771 7.160) 11.373 3.197 ( 2.499 6.595 -6.101) 9.325 3.197 ( -2.499 6.595 6.101) 9.325 3.753 ( 1.860 0.023 -5.960) 6.243 3.753 ( -1.860 0.023 5.960) 6.243 3.950 ( -0.297 6.359 -0.421) 6.380 3.950 ( 0.297 6.359 0.421) 6.380 4.045 ( -3.038 -2.496 -8.524) 9.387 4.045 ( 3.038 -2.496 8.524) 9.387 4.275 ( -0.083 3.185 -5.959) 6.757 4.275 ( 0.083 3.185 5.959) 6.757 4.582 ( -2.566 -2.931 -5.844) 7.024 4.582 ( 2.566 -2.931 5.844) 7.024 4.772 ( -2.845 -2.804 -3.451) 5.279 4.772 ( 2.845 -2.804 3.451) 5.279 5.036 ( -0.344 -4.349 -4.929) 6.582 5.036 ( 0.344 -4.349 4.929) 6.582 5.234 ( -11.624 -3.423 -4.572) 12.951 5.234 ( 11.624 -3.423 4.572) 12.951 5.570 ( -4.717 -0.474 -2.353) 5.293 5.570 ( 4.717 -0.474 2.353) 5.293 5.678 ( -2.043 -3.776 -0.959) 4.400 5.678 ( 2.043 -3.776 0.959) 4.400 5.803 ( 5.129 2.935 -4.805) 7.616 5.803 ( -5.129 2.935 4.805) 7.616 5.965 ( -0.749 -1.079 -2.232) 2.589 5.965 ( 0.749 -1.079 2.232) 2.589 6.457 ( 9.866 12.161 -7.900) 17.540 6.457 ( -9.866 12.161 7.900) 17.540 6.707 ( -1.785 7.648 -2.548) 8.257 6.707 ( 1.785 7.648 2.548) 8.257 6.814 ( -14.731 6.127 -9.027) 18.332 6.814 ( 14.731 6.127 9.027) 18.332 7.008 ( -15.327 -0.496 -11.294) 19.045 7.008 ( 15.327 -0.496 11.294) 19.045 7.477 ( -3.843 20.261 -2.060) 20.724 7.477 ( 3.843 20.261 2.060) 20.724 7.748 ( -1.206 14.729 -3.448) 15.175 7.748 ( 1.206 14.729 3.448) 15.175 8.357 ( 0.231 -6.334 -4.895) 8.009 8.357 ( -0.231 -6.334 4.895) 8.009 8.418 ( -3.327 -11.349 -2.448) 12.078 8.418 ( 3.327 -11.349 2.448) 12.078 9.057 ( -2.745 7.238 -3.442) 8.472 9.057 ( 2.745 7.238 3.442) 8.472 9.171 ( -1.900 1.458 -2.893) 3.756 9.171 ( 1.900 1.458 2.893) 3.756 10.125 ( -2.124 13.869 -1.635) 14.126 10.125 ( 2.124 13.869 1.635) 14.126 10.326 ( -2.809 11.222 -1.796) 11.707 10.326 ( 2.809 11.222 1.796) 11.707 10.722 ( -3.225 10.986 -4.600) 12.339 10.722 ( 3.225 10.986 4.600) 12.339 10.910 ( 1.696 6.026 -5.107) 8.079 10.910 ( -1.697 6.026 5.107) 8.079 11.414 ( 0.918 -3.447 -3.036) 4.685 11.414 ( -0.918 -3.447 3.036) 4.685 11.848 ( -0.558 -9.243 -5.960) 11.012 11.848 ( 0.558 -9.243 5.960) 11.012 12.368 ( -2.678 -17.873 -4.863) 18.715 12.368 ( 2.678 -17.873 4.863) 18.715 12.491 ( 4.547 -23.930 -4.249) 24.726 12.491 ( -4.547 -23.930 4.249) 24.726 12.968 ( -1.544 -6.844 -1.098) 7.102 12.968 ( 1.544 -6.844 1.098) 7.102 13.186 ( -1.244 -8.694 -0.273) 8.786 13.186 ( 1.244 -8.694 0.273) 8.786 13.981 ( -0.674 6.504 -2.412) 6.969 13.981 ( 0.674 6.504 2.412) 6.969 14.501 ( 0.050 -13.451 -1.088) 13.495 14.501 ( -0.050 -13.451 1.088) 13.495 17.938 ( -0.398 14.821 -4.129) 15.390 17.938 ( 0.398 14.821 4.129) 15.390 18.094 ( 1.248 8.405 -3.174) 9.071 18.094 ( -1.248 8.405 3.174) 9.071 20.690 ( -2.136 9.293 -2.560) 9.873 20.690 ( 2.136 9.293 2.560) 9.873 21.128 ( 2.780 -8.210 -1.374) 8.776 21.128 ( -2.780 -8.210 1.374) 8.776 22.678 ( -0.663 4.047 -1.708) 4.442 22.678 ( 0.663 4.047 1.708) 4.442 22.921 ( 2.116 -4.870 -1.649) 5.560 22.921 ( -2.116 -4.870 1.649) 5.560 28.457 ( -0.806 -1.288 -0.055) 1.520 28.457 ( 0.806 -1.288 0.055) 1.520 28.502 ( 0.429 -3.364 -0.177) 3.396 28.502 ( -0.429 -3.364 0.177) 3.396 29.709 ( 2.604 9.533 -6.173) 11.651 29.709 ( -2.604 9.533 6.173) 11.651 29.976 ( -0.955 4.926 -3.703) 6.236 29.976 ( 0.955 4.926 3.703) 6.236 30.299 ( 0.981 8.854 -3.716) 9.652 30.299 ( -0.981 8.854 3.716) 9.652 30.722 ( -1.287 -3.838 -5.121) 6.528 30.722 ( 1.287 -3.838 5.121) 6.528 31.100 ( -1.446 0.701 -2.656) 3.104 31.100 ( 1.446 0.701 2.656) 3.104 31.258 ( 0.676 -4.403 -5.234) 6.873 31.258 ( -0.676 -4.403 5.234) 6.873 31.609 ( -1.640 2.055 -2.827) 3.860 31.609 ( 1.640 2.055 2.827) 3.860 31.974 ( -6.891 -11.134 -4.428) 13.822 31.974 ( 6.891 -11.134 4.428) 13.822 ======================= Grid point 183 (81/84) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( -0.000 0.000 -0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.055 ( -0.000 -0.000 -0.000) 0.000 3.055 ( 0.000 -0.000 0.000) 0.000 3.340 ( -0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.395 ( -0.000 0.000 -0.000) 0.000 3.395 ( -0.000 0.000 0.000) 0.000 3.679 ( -0.000 0.000 0.000) 0.000 3.679 ( -0.000 0.000 0.000) 0.000 3.900 ( -0.000 0.000 0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.534 ( -0.000 0.000 -0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.566 ( -0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.646 ( -0.000 -0.000 -0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.963 ( -0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.203 ( -0.000 0.000 0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 5.388 ( -0.000 0.000 0.000) 0.000 5.388 ( -0.000 0.000 0.000) 0.000 5.733 ( -0.001 0.001 -0.001) 0.002 5.733 ( 0.000 0.000 0.000) 0.001 5.733 ( -0.000 -0.000 -0.000) 0.001 5.733 ( 0.001 -0.001 0.001) 0.002 6.248 ( -0.000 0.000 0.000) 0.000 6.248 ( -0.000 0.000 0.000) 0.000 6.304 ( -0.000 0.000 0.000) 0.000 6.304 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 -0.000 0.000) 0.000 6.457 ( -0.000 0.000 0.000) 0.000 6.778 ( -0.000 -0.000 0.000) 0.000 6.778 ( -0.000 0.000 0.000) 0.000 6.780 ( 0.000 -0.000 -0.000) 0.000 6.780 ( 0.000 0.000 -0.000) 0.000 7.458 ( -0.000 0.000 0.000) 0.000 7.458 ( -0.000 0.000 0.000) 0.000 7.527 ( -0.000 -0.000 -0.000) 0.000 7.527 ( 0.000 -0.000 0.000) 0.000 8.396 ( -0.000 -0.000 -0.000) 0.000 8.396 ( -0.000 0.000 0.000) 0.000 8.400 ( 0.000 -0.000 0.000) 0.000 8.400 ( 0.000 0.000 -0.000) 0.000 8.945 ( 0.000 0.000 0.000) 0.000 8.945 ( 0.000 0.000 0.000) 0.000 9.008 ( -0.000 -0.000 -0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 10.638 ( -0.000 -0.000 -0.000) 0.000 10.638 ( -0.000 0.000 0.000) 0.000 10.640 ( -0.000 -0.000 -0.000) 0.000 10.640 ( 0.000 0.000 0.000) 0.000 10.906 ( 0.000 0.000 0.000) 0.000 10.906 ( 0.000 0.000 0.000) 0.000 11.101 ( -0.000 0.000 0.000) 0.000 11.101 ( -0.000 0.000 0.000) 0.000 11.427 ( 0.000 0.000 0.000) 0.000 11.427 ( -0.000 0.000 0.000) 0.000 11.492 ( 0.000 -0.000 -0.000) 0.000 11.492 ( 0.000 0.000 0.000) 0.000 12.593 ( -0.000 -0.000 -0.000) 0.000 12.593 ( -0.000 0.000 0.000) 0.000 12.609 ( 0.000 -0.000 0.000) 0.000 12.609 ( 0.000 0.000 0.000) 0.000 12.984 ( 0.000 0.000 0.000) 0.000 12.984 ( -0.000 0.000 0.000) 0.000 13.116 ( -0.000 0.000 0.000) 0.000 13.116 ( -0.000 0.000 0.000) 0.000 13.872 ( 0.000 -0.000 0.000) 0.000 13.872 ( 0.000 -0.000 0.000) 0.000 13.885 ( 0.000 0.000 0.000) 0.000 13.885 ( -0.000 0.000 0.000) 0.000 18.213 ( -0.000 -0.000 0.000) 0.000 18.213 ( 0.000 0.000 -0.000) 0.000 18.262 ( 0.000 -0.000 0.000) 0.000 18.262 ( -0.000 0.000 0.000) 0.000 20.511 ( 0.000 0.000 0.000) 0.000 20.511 ( -0.000 0.000 0.000) 0.000 20.515 ( 0.000 -0.000 0.000) 0.000 20.515 ( -0.000 -0.000 -0.000) 0.000 23.121 ( -0.000 -0.000 -0.000) 0.000 23.121 ( -0.000 -0.000 0.000) 0.000 23.130 ( -0.000 0.000 -0.000) 0.000 23.130 ( 0.000 0.000 0.000) 0.000 28.449 ( -0.000 0.000 0.000) 0.000 28.449 ( 0.000 0.000 0.000) 0.000 28.459 ( -0.000 -0.000 0.000) 0.000 28.459 ( 0.000 0.000 0.000) 0.000 29.704 ( -0.000 0.000 0.000) 0.000 29.704 ( -0.000 0.000 0.000) 0.000 30.045 ( 0.000 0.000 0.000) 0.000 30.045 ( -0.000 0.000 0.000) 0.000 30.454 ( -0.000 0.000 0.000) 0.000 30.454 ( -0.000 0.000 0.000) 0.000 30.590 ( 0.000 0.000 0.000) 0.000 30.590 ( 0.000 0.000 0.000) 0.000 31.153 ( -0.000 0.000 0.000) 0.000 31.153 ( -0.000 0.000 0.000) 0.000 31.255 ( -0.000 0.000 -0.000) 0.000 31.255 ( -0.000 0.000 0.000) 0.000 31.603 ( -0.000 0.000 0.000) 0.000 31.603 ( -0.000 0.000 0.000) 0.000 31.852 ( -0.000 0.000 0.000) 0.000 31.852 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 187 (82/84) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( -11.922 -12.080 -1.900) 17.078 2.869 ( -11.922 12.080 -1.900) 17.078 3.040 ( -7.298 -4.176 -1.268) 8.503 3.040 ( -7.297 4.176 -1.268) 8.503 3.176 ( -8.429 -1.802 0.456) 8.631 3.176 ( -8.429 1.802 0.456) 8.631 3.481 ( -9.514 -11.652 1.911) 15.164 3.481 ( -9.514 11.652 1.911) 15.164 3.561 ( -2.505 -9.513 5.782) 11.411 3.561 ( -2.506 9.513 5.782) 11.411 3.747 ( 1.495 -5.526 -7.553) 9.478 3.747 ( 1.495 5.526 -7.553) 9.478 4.272 ( 1.023 -5.672 1.372) 5.924 4.272 ( 1.023 5.672 1.372) 5.924 4.426 ( -4.308 -2.709 -1.250) 5.240 4.426 ( -4.308 2.709 -1.250) 5.240 4.520 ( -6.515 -4.995 -1.159) 8.291 4.520 ( -6.515 4.995 -1.159) 8.291 4.690 ( -2.201 -4.678 3.751) 6.387 4.690 ( -2.201 4.678 3.751) 6.387 5.009 ( 5.217 -4.450 0.879) 6.913 5.009 ( 5.217 4.450 0.879) 6.913 5.151 ( -1.167 -3.645 2.066) 4.349 5.151 ( -1.167 3.645 2.066) 4.349 5.479 ( 9.050 -5.590 -1.009) 10.685 5.479 ( 9.050 5.590 -1.009) 10.685 5.697 ( 1.362 -2.745 -4.115) 5.131 5.697 ( 1.362 2.745 -4.115) 5.131 5.894 ( 3.006 -5.534 -0.732) 6.340 5.894 ( 3.006 5.534 -0.732) 6.340 6.122 ( -4.968 -1.755 1.071) 5.376 6.122 ( -4.968 1.755 1.071) 5.376 6.312 ( -3.138 -3.208 0.087) 4.488 6.312 ( -3.138 3.208 0.087) 4.488 6.530 ( 6.589 -11.317 2.708) 13.372 6.530 ( 6.589 11.317 2.708) 13.372 6.778 ( -1.202 -9.175 -0.217) 9.256 6.778 ( -1.202 9.175 -0.217) 9.256 6.977 ( 16.922 -13.398 0.254) 21.585 6.977 ( 16.922 13.398 0.254) 21.585 7.440 ( 4.977 -5.091 -1.373) 7.250 7.440 ( 4.977 5.091 -1.373) 7.250 7.650 ( 5.971 -4.591 0.437) 7.545 7.650 ( 5.971 4.591 0.437) 7.545 8.307 ( -5.359 -11.894 1.507) 13.132 8.307 ( -5.359 11.894 1.507) 13.132 8.391 ( -2.594 -13.722 -3.404) 14.374 8.391 ( -2.594 13.722 -3.404) 14.374 8.975 ( 4.025 -3.850 0.326) 5.580 8.975 ( 4.025 3.850 0.326) 5.580 9.083 ( 4.678 -0.428 1.150) 4.837 9.083 ( 4.678 0.428 1.150) 4.837 10.500 ( -6.658 -6.253 -1.066) 9.196 10.500 ( -6.658 6.253 -1.066) 9.196 10.712 ( -2.844 -8.027 0.903) 8.564 10.712 ( -2.843 8.027 0.903) 8.564 10.845 ( -1.877 -5.782 1.876) 6.362 10.845 ( -1.877 5.782 1.876) 6.362 11.078 ( -1.834 -17.840 -3.308) 18.237 11.078 ( -1.834 17.840 -3.308) 18.237 11.464 ( 2.860 -13.286 2.744) 13.864 11.464 ( 2.860 13.286 2.744) 13.864 11.526 ( 2.265 -11.385 0.021) 11.608 11.526 ( 2.265 11.385 0.021) 11.608 12.411 ( -11.049 -5.114 -2.700) 12.471 12.411 ( -11.049 5.114 -2.700) 12.471 12.491 ( -12.227 -6.533 0.625) 13.877 12.491 ( -12.227 6.533 0.625) 13.877 12.973 ( -0.096 -0.613 -0.575) 0.846 12.973 ( -0.096 0.613 -0.575) 0.846 13.129 ( -1.035 -2.943 1.513) 3.467 13.129 ( -1.035 2.943 1.513) 3.467 13.957 ( 7.567 -13.210 0.380) 15.229 13.957 ( 7.567 13.210 0.380) 15.229 14.000 ( 8.926 -12.399 -0.437) 15.284 14.000 ( 8.926 12.399 -0.437) 15.284 18.190 ( -2.151 -4.951 0.701) 5.443 18.190 ( -2.151 4.951 0.701) 5.443 18.231 ( -2.526 -4.259 -0.733) 5.005 18.231 ( -2.526 4.259 -0.733) 5.005 20.604 ( 8.356 -27.969 -0.159) 29.191 20.604 ( 8.356 27.969 -0.159) 29.191 20.612 ( 8.743 -27.040 0.290) 28.420 20.612 ( 8.743 27.040 0.290) 28.420 23.033 ( -7.385 -8.692 -0.716) 11.428 23.033 ( -7.385 8.692 -0.716) 11.428 23.067 ( -6.328 -9.562 0.688) 11.487 23.067 ( -6.328 9.562 0.688) 11.487 28.447 ( -0.032 -0.610 -0.104) 0.620 28.447 ( -0.032 0.610 -0.104) 0.620 28.460 ( 0.043 -1.277 0.091) 1.281 28.460 ( 0.043 1.277 0.091) 1.281 29.731 ( 2.335 -0.695 0.420) 2.472 29.731 ( 2.335 0.695 0.420) 2.472 30.037 ( -0.635 -0.553 -0.419) 0.941 30.037 ( -0.635 0.553 -0.419) 0.941 30.455 ( 0.067 -3.384 0.690) 3.454 30.455 ( 0.067 3.384 0.690) 3.454 30.596 ( 0.655 -6.398 -1.093) 6.524 30.596 ( 0.655 6.398 -1.093) 6.524 31.159 ( 0.724 -3.520 -2.590) 4.429 31.159 ( 0.724 3.520 -2.590) 4.429 31.250 ( -1.915 -2.125 4.381) 5.233 31.250 ( -1.915 2.125 4.381) 5.233 31.573 ( -0.946 -4.987 -0.644) 5.117 31.573 ( -0.946 4.987 -0.644) 5.117 31.873 ( 1.141 -9.894 -0.733) 9.987 31.873 ( 1.141 9.894 -0.733) 9.987 ======================= Grid point 189 (83/84) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( -18.375 -16.617 3.037) 24.960 2.524 ( -18.375 16.617 3.037) 24.960 2.670 ( -20.941 -13.940 -2.640) 25.295 2.670 ( -20.942 13.940 -2.640) 25.295 3.080 ( -1.404 -9.478 -4.540) 10.602 3.080 ( -1.404 9.478 -4.540) 10.602 3.266 ( -7.184 -4.424 1.366) 8.547 3.266 ( -7.184 4.424 1.366) 8.547 3.647 ( 5.887 -6.828 3.083) 9.528 3.647 ( 5.887 6.828 3.083) 9.528 3.863 ( 6.408 -7.417 -1.992) 10.002 3.863 ( 6.408 7.417 -1.992) 10.002 4.241 ( -5.707 -3.828 -1.502) 7.034 4.241 ( -5.707 3.828 -1.502) 7.034 4.333 ( -0.363 -8.943 -0.078) 8.950 4.333 ( -0.363 8.943 -0.078) 8.950 4.496 ( 1.860 -9.270 5.855) 11.121 4.496 ( 1.860 9.270 5.855) 11.121 4.647 ( 0.193 -3.143 -0.947) 3.288 4.647 ( 0.193 3.143 -0.947) 3.288 5.018 ( -1.660 -2.854 0.747) 3.385 5.018 ( -1.660 2.854 0.747) 3.385 5.223 ( 1.419 -5.925 1.087) 6.189 5.223 ( 1.419 5.925 1.087) 6.189 5.590 ( 0.991 -3.782 -3.408) 5.186 5.590 ( 0.991 3.782 -3.408) 5.186 5.659 ( -3.791 -2.845 -2.506) 5.362 5.659 ( -3.791 2.845 -2.506) 5.362 5.861 ( -1.139 -4.420 -1.406) 4.776 5.861 ( -1.139 4.420 -1.406) 4.776 6.052 ( -8.977 -1.527 0.780) 9.139 6.052 ( -8.977 1.527 0.780) 9.139 6.378 ( 16.909 -6.137 0.174) 17.989 6.378 ( 16.909 6.137 0.174) 17.989 6.690 ( 8.322 -2.060 -3.204) 9.152 6.690 ( 8.322 2.060 -3.204) 9.152 6.740 ( -3.519 -5.641 8.085) 10.467 6.740 ( -3.519 5.641 8.085) 10.467 7.235 ( -2.578 -3.751 0.478) 4.577 7.235 ( -2.578 3.751 0.478) 4.577 7.639 ( 17.333 -21.646 -0.677) 27.738 7.639 ( 17.333 21.646 -0.677) 27.738 7.787 ( 7.798 -14.700 -0.857) 16.663 7.787 ( 7.798 14.700 -0.857) 16.663 8.233 ( -1.973 -10.323 0.523) 10.523 8.233 ( -1.973 10.323 0.523) 10.523 8.288 ( -5.420 -15.843 -3.286) 17.064 8.288 ( -5.420 15.843 -3.286) 17.064 9.077 ( 4.638 -3.920 0.713) 6.114 9.077 ( 4.638 3.920 0.713) 6.114 9.175 ( 3.053 -1.353 0.926) 3.465 9.175 ( 3.053 1.353 0.926) 3.465 10.366 ( -5.626 -6.473 1.155) 8.653 10.366 ( -5.626 6.473 1.155) 8.653 10.539 ( -10.269 -9.927 -0.740) 14.302 10.539 ( -10.269 9.927 -0.740) 14.302 10.890 ( 2.839 -9.533 1.142) 10.012 10.890 ( 2.839 9.533 1.142) 10.012 11.010 ( -2.630 -11.550 -2.372) 12.081 11.010 ( -2.630 11.550 -2.372) 12.081 11.530 ( 1.907 -9.024 0.024) 9.224 11.530 ( 1.907 9.024 0.024) 9.224 11.562 ( 0.554 -14.884 2.190) 15.055 11.562 ( 0.554 14.884 2.190) 15.055 12.206 ( -6.789 -6.569 -1.494) 9.564 12.206 ( -6.789 6.569 -1.494) 9.564 12.257 ( -8.288 -8.149 -0.698) 11.644 12.257 ( -8.288 8.149 -0.698) 11.644 12.962 ( -0.851 -0.994 0.200) 1.324 12.962 ( -0.851 0.994 0.200) 1.324 13.089 ( -2.597 -2.377 0.618) 3.574 13.089 ( -2.597 2.377 0.618) 3.574 14.113 ( 6.127 -8.192 0.379) 10.237 14.113 ( 6.127 8.192 0.379) 10.237 14.173 ( 6.918 -7.597 -0.346) 10.281 14.173 ( 6.918 7.597 -0.346) 10.281 18.149 ( -1.912 -5.440 1.201) 5.890 18.149 ( -1.912 5.440 1.201) 5.890 18.171 ( -2.333 -4.546 -1.223) 5.254 18.171 ( -2.333 4.546 -1.224) 5.254 20.801 ( 9.553 -17.234 -0.731) 19.718 20.801 ( 9.553 17.235 -0.731) 19.719 20.816 ( 9.067 -16.941 0.892) 19.236 20.816 ( 9.067 16.941 0.892) 19.236 22.857 ( -8.127 -6.111 -0.501) 10.181 22.857 ( -8.127 6.111 -0.501) 10.181 22.914 ( -7.541 -7.077 0.426) 10.351 22.914 ( -7.541 7.077 0.426) 10.351 28.448 ( 0.130 -0.541 -0.086) 0.563 28.448 ( 0.130 0.541 -0.086) 0.563 28.461 ( -0.083 -1.105 0.077) 1.111 28.461 ( -0.083 1.105 0.077) 1.111 29.790 ( 2.724 -0.938 0.456) 2.917 29.790 ( 2.724 0.938 0.456) 2.917 30.017 ( -1.005 -0.865 -0.340) 1.369 30.017 ( -1.005 0.865 -0.340) 1.369 30.465 ( 0.342 -3.378 0.889) 3.510 30.465 ( 0.342 3.378 0.889) 3.510 30.603 ( 0.622 -6.089 -1.359) 6.270 30.603 ( 0.622 6.089 -1.359) 6.270 31.151 ( -0.141 -4.635 -1.479) 4.867 31.151 ( -0.141 4.635 -1.479) 4.867 31.207 ( -3.284 -4.127 0.955) 5.359 31.207 ( -3.284 4.127 0.955) 5.359 31.612 ( 3.639 -3.925 3.920) 6.634 31.612 ( 3.639 3.925 3.920) 6.634 31.861 ( -1.569 -9.965 -3.027) 10.532 31.861 ( -1.569 9.965 -3.027) 10.532 ======================= Grid point 191 (84/84) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -0.000 -0.000 -0.000) 0.000 2.324 ( -0.000 0.000 0.000) 0.000 2.403 ( -0.000 0.000 -0.000) 0.000 2.403 ( -0.000 0.000 0.000) 0.000 3.060 ( -0.000 0.000 0.000) 0.000 3.060 ( -0.000 0.000 -0.000) 0.000 3.193 ( -0.000 -0.000 0.000) 0.000 3.193 ( -0.000 0.000 0.000) 0.000 3.749 ( -0.000 0.000 -0.000) 0.000 3.749 ( -0.000 0.000 0.000) 0.000 3.892 ( -0.000 0.000 0.000) 0.000 3.892 ( -0.000 0.000 0.000) 0.000 4.206 ( -0.000 -0.000 -0.000) 0.000 4.206 ( -0.000 0.000 0.000) 0.000 4.302 ( -0.000 0.000 -0.000) 0.000 4.302 ( -0.000 0.000 0.000) 0.000 4.557 ( -0.000 0.000 0.000) 0.000 4.557 ( -0.000 0.000 0.000) 0.000 4.672 ( -0.000 0.000 -0.000) 0.000 4.672 ( -0.000 -0.000 0.000) 0.000 5.097 ( -0.000 -0.000 0.000) 0.000 5.097 ( 0.001 0.000 0.001) 0.001 5.099 ( -0.001 -0.000 -0.001) 0.001 5.099 ( -0.000 0.000 0.000) 0.000 5.556 ( -0.000 0.000 -0.000) 0.000 5.556 ( -0.000 0.000 0.000) 0.000 5.624 ( 0.000 0.000 -0.000) 0.000 5.624 ( -0.000 0.000 0.000) 0.000 5.889 ( -0.000 0.000 -0.000) 0.000 5.889 ( -0.000 0.000 0.000) 0.000 5.909 ( 0.000 -0.000 -0.000) 0.000 5.909 ( 0.000 -0.000 0.000) 0.000 6.657 ( -0.000 -0.000 0.000) 0.000 6.657 ( -0.000 0.000 0.000) 0.000 6.677 ( 0.000 -0.000 -0.000) 0.000 6.677 ( 0.000 0.000 -0.000) 0.000 6.929 ( -0.000 0.000 -0.000) 0.000 6.929 ( 0.000 0.000 0.000) 0.000 6.988 ( -0.000 0.000 -0.000) 0.000 6.988 ( 0.000 -0.000 0.000) 0.000 7.824 ( -0.000 0.000 0.000) 0.000 7.824 ( 0.000 0.000 0.000) 0.000 7.990 ( -0.000 0.000 -0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.144 ( -0.000 -0.000 -0.000) 0.000 8.144 ( 0.000 -0.000 0.000) 0.000 8.228 ( -0.000 -0.000 -0.000) 0.000 8.228 ( -0.000 -0.000 0.000) 0.000 9.143 ( -0.000 0.000 -0.000) 0.000 9.143 ( -0.000 0.000 0.000) 0.000 9.196 ( -0.000 0.000 0.000) 0.000 9.196 ( -0.000 0.000 0.000) 0.000 10.326 ( -0.000 0.000 0.000) 0.000 10.326 ( 0.000 0.000 0.000) 0.000 10.392 ( -0.000 -0.000 0.000) 0.000 10.392 ( 0.000 -0.000 0.000) 0.000 10.931 ( -0.000 -0.000 0.000) 0.000 10.931 ( -0.000 0.000 0.000) 0.000 10.970 ( -0.000 -0.000 -0.000) 0.000 10.970 ( -0.000 0.000 -0.000) 0.000 11.555 ( 0.000 -0.000 -0.000) 0.000 11.555 ( 0.000 0.001 -0.000) 0.001 11.559 ( -0.000 -0.001 0.000) 0.001 11.559 ( -0.000 0.000 0.000) 0.000 12.139 ( 0.000 -0.000 -0.000) 0.000 12.139 ( -0.000 0.000 0.000) 0.000 12.169 ( -0.000 0.000 -0.000) 0.000 12.169 ( -0.000 0.000 0.000) 0.000 12.951 ( -0.000 -0.000 0.000) 0.000 12.951 ( -0.000 -0.000 0.000) 0.000 13.059 ( -0.000 0.000 0.000) 0.000 13.059 ( -0.000 0.000 0.000) 0.000 14.180 ( -0.000 -0.000 0.000) 0.000 14.180 ( -0.000 -0.000 0.000) 0.000 14.247 ( -0.000 0.000 0.000) 0.000 14.247 ( -0.000 0.000 0.000) 0.000 18.136 ( 0.000 -0.000 -0.000) 0.000 18.136 ( -0.000 -0.000 0.000) 0.000 18.137 ( 0.000 0.000 -0.000) 0.000 18.137 ( -0.000 0.000 0.000) 0.000 20.914 ( -0.000 -0.000 0.000) 0.000 20.914 ( -0.000 0.000 -0.000) 0.000 20.921 ( -0.000 -0.000 -0.000) 0.000 20.921 ( 0.000 0.000 -0.000) 0.000 22.760 ( -0.000 -0.000 0.000) 0.000 22.760 ( -0.000 0.000 0.000) 0.000 22.826 ( -0.000 0.000 0.000) 0.000 22.826 ( -0.000 0.000 -0.000) 0.000 28.450 ( -0.000 0.000 0.000) 0.000 28.450 ( -0.000 0.000 0.000) 0.000 28.459 ( -0.000 -0.000 -0.000) 0.000 28.459 ( -0.000 -0.000 0.000) 0.000 29.824 ( -0.000 0.000 -0.000) 0.000 29.824 ( -0.000 0.000 0.000) 0.000 30.003 ( -0.000 0.000 -0.000) 0.000 30.003 ( -0.000 0.000 0.000) 0.000 30.471 ( -0.000 0.000 0.000) 0.000 30.471 ( -0.000 0.000 0.000) 0.000 30.606 ( -0.000 0.000 0.000) 0.000 30.606 ( -0.000 0.000 0.000) 0.000 31.155 ( -0.000 -0.000 -0.000) 0.000 31.155 ( -0.000 0.000 0.000) 0.000 31.158 ( 0.000 -0.000 -0.000) 0.000 31.158 ( -0.000 -0.000 0.000) 0.000 31.692 ( -0.000 0.000 -0.000) 0.000 31.692 ( 0.000 -0.000 0.000) 0.000 31.811 ( -0.000 0.000 0.000) 0.000 31.811 ( -0.000 0.000 0.000) 0.000 =================== 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 3/25920 10.0 1101.837 1047.648 1104.629 0.000 -242.761 0.000 3/25920 20.0 312.232 288.556 208.617 0.000 -35.394 0.000 3/25920 30.0 107.772 102.961 63.615 0.000 -9.596 0.000 3/25920 40.0 50.986 50.029 28.218 0.000 -4.058 0.000 3/25920 50.0 29.911 29.839 15.923 0.000 -2.221 0.000 3/25920 60.0 20.166 20.318 10.467 0.000 -1.419 0.000 3/25920 70.0 14.903 15.108 7.601 0.000 -1.001 0.000 3/25920 80.0 11.724 11.942 5.903 0.000 -0.756 0.000 3/25920 90.0 9.640 9.865 4.805 0.000 -0.600 0.000 3/25920 100.0 8.186 8.424 4.045 0.000 -0.493 0.000 3/25920 110.0 7.123 7.379 3.494 0.000 -0.417 0.000 3/25920 120.0 6.315 6.594 3.076 0.000 -0.361 0.000 3/25920 130.0 5.682 5.988 2.750 0.000 -0.317 0.000 3/25920 140.0 5.175 5.508 2.489 0.000 -0.283 0.000 3/25920 150.0 4.759 5.120 2.275 0.000 -0.256 0.000 3/25920 160.0 4.413 4.800 2.097 0.000 -0.233 0.000 3/25920 170.0 4.119 4.532 1.947 0.000 -0.215 0.000 3/25920 180.0 3.868 4.303 1.818 0.000 -0.199 0.000 3/25920 190.0 3.650 4.106 1.707 0.000 -0.185 0.000 3/25920 200.0 3.459 3.934 1.611 0.000 -0.174 0.000 3/25920 210.0 3.291 3.782 1.526 0.000 -0.163 0.000 3/25920 220.0 3.140 3.646 1.451 0.000 -0.154 0.000 3/25920 230.0 3.006 3.523 1.385 0.000 -0.147 0.000 3/25920 240.0 2.884 3.412 1.325 0.000 -0.139 0.000 3/25920 250.0 2.773 3.311 1.272 0.000 -0.133 0.000 3/25920 260.0 2.672 3.217 1.224 0.000 -0.127 0.000 3/25920 270.0 2.579 3.130 1.180 0.000 -0.122 0.000 3/25920 280.0 2.494 3.050 1.140 0.000 -0.117 0.000 3/25920 290.0 2.415 2.975 1.104 0.000 -0.113 0.000 3/25920 300.0 2.341 2.904 1.070 0.000 -0.109 0.000 3/25920 310.0 2.272 2.837 1.039 0.000 -0.105 0.000 3/25920 320.0 2.208 2.774 1.010 0.000 -0.102 0.000 3/25920 330.0 2.148 2.715 0.984 0.000 -0.098 0.000 3/25920 340.0 2.091 2.658 0.959 0.000 -0.095 0.000 3/25920 350.0 2.038 2.604 0.936 0.000 -0.093 0.000 3/25920 360.0 1.987 2.553 0.914 0.000 -0.090 0.000 3/25920 370.0 1.940 2.503 0.893 0.000 -0.088 0.000 3/25920 380.0 1.894 2.456 0.874 0.000 -0.085 0.000 3/25920 390.0 1.851 2.410 0.856 0.000 -0.083 0.000 3/25920 400.0 1.810 2.367 0.838 0.000 -0.081 0.000 3/25920 410.0 1.771 2.325 0.822 0.000 -0.079 0.000 3/25920 420.0 1.734 2.284 0.806 0.000 -0.077 0.000 3/25920 430.0 1.698 2.245 0.791 0.000 -0.075 0.000 3/25920 440.0 1.664 2.207 0.777 0.000 -0.074 0.000 3/25920 450.0 1.631 2.171 0.763 0.000 -0.072 0.000 3/25920 460.0 1.600 2.136 0.750 0.000 -0.070 0.000 3/25920 470.0 1.569 2.101 0.737 0.000 -0.069 0.000 3/25920 480.0 1.540 2.068 0.725 0.000 -0.068 0.000 3/25920 490.0 1.512 2.036 0.713 0.000 -0.066 0.000 3/25920 500.0 1.485 2.005 0.702 0.000 -0.065 0.000 3/25920 510.0 1.459 1.975 0.691 0.000 -0.064 0.000 3/25920 520.0 1.434 1.945 0.680 0.000 -0.062 0.000 3/25920 530.0 1.410 1.917 0.670 0.000 -0.061 0.000 3/25920 540.0 1.387 1.889 0.660 0.000 -0.060 0.000 3/25920 550.0 1.364 1.862 0.651 0.000 -0.059 0.000 3/25920 560.0 1.342 1.835 0.641 0.000 -0.058 0.000 3/25920 570.0 1.321 1.810 0.632 0.000 -0.057 0.000 3/25920 580.0 1.300 1.785 0.623 0.000 -0.056 0.000 3/25920 590.0 1.280 1.761 0.615 0.000 -0.055 0.000 3/25920 600.0 1.261 1.737 0.607 0.000 -0.054 0.000 3/25920 610.0 1.242 1.714 0.598 0.000 -0.053 0.000 3/25920 620.0 1.224 1.691 0.591 0.000 -0.053 0.000 3/25920 630.0 1.206 1.669 0.583 0.000 -0.052 0.000 3/25920 640.0 1.189 1.648 0.576 0.000 -0.051 0.000 3/25920 650.0 1.173 1.627 0.568 0.000 -0.050 0.000 3/25920 660.0 1.156 1.607 0.561 0.000 -0.050 0.000 3/25920 670.0 1.141 1.587 0.554 0.000 -0.049 0.000 3/25920 680.0 1.125 1.567 0.547 0.000 -0.048 0.000 3/25920 690.0 1.110 1.548 0.541 0.000 -0.047 0.000 3/25920 700.0 1.096 1.529 0.534 0.000 -0.047 0.000 3/25920 710.0 1.081 1.511 0.528 0.000 -0.046 0.000 3/25920 720.0 1.068 1.493 0.522 0.000 -0.046 0.000 3/25920 730.0 1.054 1.476 0.516 0.000 -0.045 0.000 3/25920 740.0 1.041 1.459 0.510 0.000 -0.044 0.000 3/25920 750.0 1.028 1.442 0.504 0.000 -0.044 0.000 3/25920 760.0 1.015 1.426 0.499 0.000 -0.043 0.000 3/25920 770.0 1.003 1.410 0.493 0.000 -0.043 0.000 3/25920 780.0 0.991 1.395 0.488 0.000 -0.042 0.000 3/25920 790.0 0.980 1.379 0.483 0.000 -0.042 0.000 3/25920 800.0 0.968 1.364 0.477 0.000 -0.041 0.000 3/25920 810.0 0.957 1.350 0.472 0.000 -0.041 0.000 3/25920 820.0 0.946 1.335 0.467 0.000 -0.040 0.000 3/25920 830.0 0.935 1.321 0.463 0.000 -0.040 0.000 3/25920 840.0 0.925 1.307 0.458 0.000 -0.039 0.000 3/25920 850.0 0.915 1.294 0.453 0.000 -0.039 0.000 3/25920 860.0 0.905 1.280 0.449 0.000 -0.038 0.000 3/25920 870.0 0.895 1.267 0.444 0.000 -0.038 0.000 3/25920 880.0 0.885 1.255 0.440 0.000 -0.037 0.000 3/25920 890.0 0.876 1.242 0.435 0.000 -0.037 0.000 3/25920 900.0 0.867 1.230 0.431 0.000 -0.037 0.000 3/25920 910.0 0.858 1.218 0.427 0.000 -0.036 0.000 3/25920 920.0 0.849 1.206 0.423 0.000 -0.036 0.000 3/25920 930.0 0.840 1.194 0.419 0.000 -0.035 0.000 3/25920 940.0 0.832 1.183 0.415 0.000 -0.035 0.000 3/25920 950.0 0.824 1.172 0.411 0.000 -0.035 0.000 3/25920 960.0 0.816 1.161 0.407 0.000 -0.034 0.000 3/25920 970.0 0.808 1.150 0.403 0.000 -0.034 0.000 3/25920 980.0 0.800 1.139 0.400 0.000 -0.034 0.000 3/25920 990.0 0.792 1.129 0.396 0.000 -0.033 0.000 3/25920 1000.0 0.785 1.119 0.393 0.000 -0.033 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m6104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:47:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|