----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:22:49]------------------------- 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/c (13) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.616350580090750 0.000000000000000 0.000000000000000 b 0.000000000000000 5.384698160000000 0.000000000000000 c -2.792789538719529 0.000000000000000 11.020700786841461 Atomic positions (fractional): *1 Y 0.00000000000000 0.25648724396332 0.25000000000000 88.906 2 Y 0.00000000000000 0.74351275603668 0.75000000000000 88.906 *3 Y 0.78724812580986 0.81038710396417 0.42279298710590 88.906 4 Y 0.78724812580986 0.18961289603583 0.92279298710589 88.906 *5 Y 0.50000000000000 0.31264040159906 0.25000000000000 88.906 6 Y 0.50000000000000 0.68735959840094 0.75000000000000 88.906 7 Y 0.21275187419014 0.81038710396417 0.07720701289411 88.906 8 Y 0.21275187419014 0.18961289603583 0.57720701289411 88.906 *9 Te 0.72615069784360 0.74278113676278 0.11519745910274 127.600 10 Te 0.72615069784360 0.25721886323722 0.61519745910274 127.600 11 Te 0.27384930215640 0.74278113676278 0.38480254089726 127.600 12 Te 0.27384930215640 0.25721886323722 0.88480254089726 127.600 *13 O 0.94176257317789 0.94500684849026 0.10567107828535 15.999 *14 O 0.84835731475057 0.45993156641464 0.06907077540622 15.999 15 O 0.94176257317789 0.05499315150974 0.60567107828535 15.999 *16 O 0.79391734060016 0.54893566483400 0.27117474624362 15.999 17 O 0.84835731475057 0.54006843358536 0.56907077540622 15.999 *18 O 0.70771043398770 0.02150451851836 0.22582906837762 15.999 19 O 0.79391734060016 0.45106433516600 0.77117474624362 15.999 *20 O 0.63852485615048 0.14838640918666 0.44975062693080 15.999 *21 O 0.49048195263660 0.62762694856053 0.11469715604498 15.999 22 O 0.70771043398770 0.97849548148165 0.72582906837762 15.999 23 O 0.50951804736340 0.62762694856053 0.38530284395502 15.999 24 O 0.36147514384952 0.14838640918666 0.05024937306920 15.999 25 O 0.63852485615048 0.85161359081334 0.94975062693080 15.999 26 O 0.49048195263660 0.37237305143947 0.61469715604498 15.999 27 O 0.29228956601230 0.02150451851836 0.27417093162238 15.999 28 O 0.50951804736340 0.37237305143947 0.88530284395502 15.999 29 O 0.36147514384952 0.85161359081334 0.55024937306920 15.999 30 O 0.20608265939984 0.54893566483400 0.22882525375638 15.999 31 O 0.29228956601230 0.97849548148165 0.77417093162238 15.999 32 O 0.15164268524943 0.45993156641464 0.43092922459378 15.999 33 O 0.20608265939984 0.45106433516600 0.72882525375638 15.999 34 O 0.05823742682211 0.94500684849026 0.39432892171465 15.999 35 O 0.15164268524943 0.54006843358536 0.93092922459378 15.999 36 O 0.05823742682211 0.05499315150974 0.89432892171465 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.616350580090750 0.000000000000000 0.000000000000000 b 0.000000000000000 5.384698160000000 0.000000000000000 c -2.792789538719529 0.000000000000000 11.020700786841461 Atomic positions (fractional): *1 Y 0.00000000000000 0.25648724396332 0.25000000000000 88.906 > 1 2 Y 0.00000000000000 0.74351275603668 0.75000000000000 88.906 > 2 *3 Y 0.78724812580986 0.81038710396417 0.42279298710590 88.906 > 3 4 Y 0.78724812580986 0.18961289603583 0.92279298710589 88.906 > 4 *5 Y 0.50000000000000 0.31264040159906 0.25000000000000 88.906 > 5 6 Y 0.50000000000000 0.68735959840094 0.75000000000000 88.906 > 6 7 Y 0.21275187419014 0.81038710396417 0.07720701289411 88.906 > 7 8 Y 0.21275187419014 0.18961289603583 0.57720701289411 88.906 > 8 *9 Te 0.72615069784360 0.74278113676278 0.11519745910274 127.600 > 9 10 Te 0.72615069784360 0.25721886323722 0.61519745910274 127.600 > 10 11 Te 0.27384930215640 0.74278113676278 0.38480254089726 127.600 > 11 12 Te 0.27384930215640 0.25721886323722 0.88480254089726 127.600 > 12 *13 O 0.94176257317789 0.94500684849026 0.10567107828535 15.999 > 13 *14 O 0.84835731475057 0.45993156641464 0.06907077540622 15.999 > 14 15 O 0.94176257317789 0.05499315150974 0.60567107828535 15.999 > 15 *16 O 0.79391734060016 0.54893566483400 0.27117474624362 15.999 > 16 17 O 0.84835731475057 0.54006843358536 0.56907077540622 15.999 > 17 *18 O 0.70771043398770 0.02150451851836 0.22582906837762 15.999 > 18 19 O 0.79391734060016 0.45106433516600 0.77117474624362 15.999 > 19 *20 O 0.63852485615048 0.14838640918666 0.44975062693080 15.999 > 20 *21 O 0.49048195263660 0.62762694856053 0.11469715604498 15.999 > 21 22 O 0.70771043398770 0.97849548148165 0.72582906837762 15.999 > 22 23 O 0.50951804736340 0.62762694856053 0.38530284395502 15.999 > 23 24 O 0.36147514384952 0.14838640918666 0.05024937306920 15.999 > 24 25 O 0.63852485615048 0.85161359081334 0.94975062693080 15.999 > 25 26 O 0.49048195263660 0.37237305143947 0.61469715604498 15.999 > 26 27 O 0.29228956601230 0.02150451851836 0.27417093162238 15.999 > 27 28 O 0.50951804736340 0.37237305143947 0.88530284395502 15.999 > 28 29 O 0.36147514384952 0.85161359081334 0.55024937306920 15.999 > 29 30 O 0.20608265939984 0.54893566483400 0.22882525375638 15.999 > 30 31 O 0.29228956601230 0.97849548148165 0.77417093162238 15.999 > 31 32 O 0.15164268524943 0.45993156641464 0.43092922459378 15.999 > 32 33 O 0.20608265939984 0.45106433516600 0.72882525375638 15.999 > 33 34 O 0.05823742682211 0.94500684849026 0.39432892171465 15.999 > 34 35 O 0.15164268524943 0.54006843358536 0.93092922459378 15.999 > 35 36 O 0.05823742682211 0.05499315150974 0.89432892171465 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.232701160181501 0.000000000000000 0.000000000000000 b 0.000000000000000 10.769396320000000 0.000000000000000 c -2.792789538719529 0.000000000000000 11.020700786841461 Atomic positions (fractional): *1 Y 0.00000000000000 0.12824362198166 0.25000000000000 88.906 > 1 2 Y 0.50000000000000 0.12824362198166 0.25000000000000 88.906 > 1 3 Y 0.00000000000000 0.62824362198166 0.25000000000000 88.906 > 1 4 Y 0.50000000000000 0.62824362198166 0.25000000000000 88.906 > 1 5 Y 0.00000000000000 0.37175637801834 0.75000000000000 88.906 > 2 6 Y 0.50000000000000 0.37175637801834 0.75000000000000 88.906 > 2 7 Y 0.00000000000000 0.87175637801834 0.75000000000000 88.906 > 2 8 Y 0.50000000000000 0.87175637801834 0.75000000000000 88.906 > 2 *9 Y 0.39362406290493 0.40519355198208 0.42279298710590 88.906 > 3 10 Y 0.89362406290493 0.40519355198208 0.42279298710590 88.906 > 3 11 Y 0.39362406290493 0.90519355198208 0.42279298710590 88.906 > 3 12 Y 0.89362406290493 0.90519355198208 0.42279298710590 88.906 > 3 13 Y 0.39362406290493 0.09480644801792 0.92279298710589 88.906 > 4 14 Y 0.89362406290493 0.09480644801792 0.92279298710589 88.906 > 4 15 Y 0.39362406290493 0.59480644801792 0.92279298710589 88.906 > 4 16 Y 0.89362406290493 0.59480644801792 0.92279298710589 88.906 > 4 *17 Y 0.25000000000000 0.15632020079953 0.25000000000000 88.906 > 5 18 Y 0.75000000000000 0.15632020079953 0.25000000000000 88.906 > 5 19 Y 0.25000000000000 0.65632020079953 0.25000000000000 88.906 > 5 20 Y 0.75000000000000 0.65632020079953 0.25000000000000 88.906 > 5 21 Y 0.25000000000000 0.34367979920047 0.75000000000000 88.906 > 6 22 Y 0.75000000000000 0.34367979920047 0.75000000000000 88.906 > 6 23 Y 0.25000000000000 0.84367979920047 0.75000000000000 88.906 > 6 24 Y 0.75000000000000 0.84367979920047 0.75000000000000 88.906 > 6 25 Y 0.10637593709507 0.40519355198208 0.07720701289411 88.906 > 7 26 Y 0.60637593709507 0.40519355198208 0.07720701289411 88.906 > 7 27 Y 0.10637593709507 0.90519355198208 0.07720701289411 88.906 > 7 28 Y 0.60637593709507 0.90519355198208 0.07720701289411 88.906 > 7 29 Y 0.10637593709507 0.09480644801792 0.57720701289411 88.906 > 8 30 Y 0.60637593709507 0.09480644801792 0.57720701289411 88.906 > 8 31 Y 0.10637593709507 0.59480644801792 0.57720701289411 88.906 > 8 32 Y 0.60637593709507 0.59480644801792 0.57720701289411 88.906 > 8 *33 Te 0.36307534892180 0.37139056838139 0.11519745910274 127.600 > 9 34 Te 0.86307534892180 0.37139056838139 0.11519745910274 127.600 > 9 35 Te 0.36307534892180 0.87139056838139 0.11519745910274 127.600 > 9 36 Te 0.86307534892180 0.87139056838139 0.11519745910274 127.600 > 9 37 Te 0.36307534892180 0.12860943161861 0.61519745910274 127.600 > 10 38 Te 0.86307534892180 0.12860943161861 0.61519745910274 127.600 > 10 39 Te 0.36307534892180 0.62860943161861 0.61519745910274 127.600 > 10 40 Te 0.86307534892180 0.62860943161861 0.61519745910274 127.600 > 10 41 Te 0.13692465107820 0.37139056838139 0.38480254089726 127.600 > 11 42 Te 0.63692465107820 0.37139056838139 0.38480254089726 127.600 > 11 43 Te 0.13692465107820 0.87139056838139 0.38480254089726 127.600 > 11 44 Te 0.63692465107820 0.87139056838139 0.38480254089726 127.600 > 11 45 Te 0.13692465107820 0.12860943161861 0.88480254089726 127.600 > 12 46 Te 0.63692465107820 0.12860943161861 0.88480254089726 127.600 > 12 47 Te 0.13692465107820 0.62860943161861 0.88480254089726 127.600 > 12 48 Te 0.63692465107820 0.62860943161861 0.88480254089726 127.600 > 12 *49 O 0.47088128658894 0.47250342424513 0.10567107828535 15.999 > 13 50 O 0.97088128658894 0.47250342424513 0.10567107828535 15.999 > 13 51 O 0.47088128658894 0.97250342424513 0.10567107828535 15.999 > 13 52 O 0.97088128658894 0.97250342424513 0.10567107828535 15.999 > 13 *53 O 0.42417865737529 0.22996578320732 0.06907077540622 15.999 > 14 54 O 0.92417865737529 0.22996578320732 0.06907077540622 15.999 > 14 55 O 0.42417865737529 0.72996578320732 0.06907077540622 15.999 > 14 56 O 0.92417865737529 0.72996578320732 0.06907077540622 15.999 > 14 57 O 0.47088128658894 0.02749657575487 0.60567107828535 15.999 > 15 58 O 0.97088128658894 0.02749657575487 0.60567107828535 15.999 > 15 59 O 0.47088128658894 0.52749657575487 0.60567107828535 15.999 > 15 60 O 0.97088128658894 0.52749657575487 0.60567107828535 15.999 > 15 *61 O 0.39695867030008 0.27446783241700 0.27117474624362 15.999 > 16 62 O 0.89695867030008 0.27446783241700 0.27117474624362 15.999 > 16 63 O 0.39695867030008 0.77446783241700 0.27117474624362 15.999 > 16 64 O 0.89695867030008 0.77446783241700 0.27117474624362 15.999 > 16 65 O 0.42417865737529 0.27003421679268 0.56907077540622 15.999 > 17 66 O 0.92417865737529 0.27003421679268 0.56907077540622 15.999 > 17 67 O 0.42417865737529 0.77003421679268 0.56907077540622 15.999 > 17 68 O 0.92417865737529 0.77003421679268 0.56907077540622 15.999 > 17 *69 O 0.35385521699385 0.01075225925918 0.22582906837762 15.999 > 18 70 O 0.85385521699385 0.01075225925918 0.22582906837762 15.999 > 18 71 O 0.35385521699385 0.51075225925918 0.22582906837762 15.999 > 18 72 O 0.85385521699385 0.51075225925918 0.22582906837762 15.999 > 18 73 O 0.39695867030008 0.22553216758300 0.77117474624362 15.999 > 19 74 O 0.89695867030008 0.22553216758300 0.77117474624362 15.999 > 19 75 O 0.39695867030008 0.72553216758300 0.77117474624362 15.999 > 19 76 O 0.89695867030008 0.72553216758300 0.77117474624362 15.999 > 19 *77 O 0.31926242807524 0.07419320459333 0.44975062693080 15.999 > 20 78 O 0.81926242807524 0.07419320459333 0.44975062693080 15.999 > 20 79 O 0.31926242807524 0.57419320459333 0.44975062693080 15.999 > 20 80 O 0.81926242807524 0.57419320459333 0.44975062693080 15.999 > 20 *81 O 0.24524097631830 0.31381347428026 0.11469715604498 15.999 > 21 82 O 0.74524097631830 0.31381347428026 0.11469715604498 15.999 > 21 83 O 0.24524097631830 0.81381347428026 0.11469715604498 15.999 > 21 84 O 0.74524097631830 0.81381347428026 0.11469715604498 15.999 > 21 85 O 0.35385521699385 0.48924774074082 0.72582906837762 15.999 > 22 86 O 0.85385521699385 0.48924774074082 0.72582906837762 15.999 > 22 87 O 0.35385521699385 0.98924774074082 0.72582906837762 15.999 > 22 88 O 0.85385521699385 0.98924774074082 0.72582906837762 15.999 > 22 89 O 0.25475902368170 0.31381347428026 0.38530284395502 15.999 > 23 90 O 0.75475902368170 0.31381347428026 0.38530284395502 15.999 > 23 91 O 0.25475902368170 0.81381347428026 0.38530284395502 15.999 > 23 92 O 0.75475902368170 0.81381347428026 0.38530284395502 15.999 > 23 93 O 0.18073757192476 0.07419320459333 0.05024937306920 15.999 > 24 94 O 0.68073757192476 0.07419320459333 0.05024937306920 15.999 > 24 95 O 0.18073757192476 0.57419320459333 0.05024937306920 15.999 > 24 96 O 0.68073757192476 0.57419320459333 0.05024937306920 15.999 > 24 97 O 0.31926242807524 0.42580679540667 0.94975062693080 15.999 > 25 98 O 0.81926242807524 0.42580679540667 0.94975062693080 15.999 > 25 99 O 0.31926242807524 0.92580679540667 0.94975062693080 15.999 > 25 100 O 0.81926242807524 0.92580679540667 0.94975062693080 15.999 > 25 101 O 0.24524097631830 0.18618652571974 0.61469715604498 15.999 > 26 102 O 0.74524097631830 0.18618652571974 0.61469715604498 15.999 > 26 103 O 0.24524097631830 0.68618652571974 0.61469715604498 15.999 > 26 104 O 0.74524097631830 0.68618652571974 0.61469715604498 15.999 > 26 105 O 0.14614478300615 0.01075225925918 0.27417093162238 15.999 > 27 106 O 0.64614478300615 0.01075225925918 0.27417093162238 15.999 > 27 107 O 0.14614478300615 0.51075225925918 0.27417093162238 15.999 > 27 108 O 0.64614478300615 0.51075225925918 0.27417093162238 15.999 > 27 109 O 0.25475902368170 0.18618652571974 0.88530284395502 15.999 > 28 110 O 0.75475902368170 0.18618652571974 0.88530284395502 15.999 > 28 111 O 0.25475902368170 0.68618652571974 0.88530284395502 15.999 > 28 112 O 0.75475902368170 0.68618652571974 0.88530284395502 15.999 > 28 113 O 0.18073757192476 0.42580679540667 0.55024937306920 15.999 > 29 114 O 0.68073757192476 0.42580679540667 0.55024937306920 15.999 > 29 115 O 0.18073757192476 0.92580679540667 0.55024937306920 15.999 > 29 116 O 0.68073757192476 0.92580679540667 0.55024937306920 15.999 > 29 117 O 0.10304132969992 0.27446783241700 0.22882525375638 15.999 > 30 118 O 0.60304132969992 0.27446783241700 0.22882525375638 15.999 > 30 119 O 0.10304132969992 0.77446783241700 0.22882525375638 15.999 > 30 120 O 0.60304132969992 0.77446783241700 0.22882525375638 15.999 > 30 121 O 0.14614478300615 0.48924774074082 0.77417093162238 15.999 > 31 122 O 0.64614478300615 0.48924774074082 0.77417093162238 15.999 > 31 123 O 0.14614478300615 0.98924774074082 0.77417093162238 15.999 > 31 124 O 0.64614478300615 0.98924774074082 0.77417093162238 15.999 > 31 125 O 0.07582134262471 0.22996578320732 0.43092922459378 15.999 > 32 126 O 0.57582134262471 0.22996578320732 0.43092922459378 15.999 > 32 127 O 0.07582134262471 0.72996578320732 0.43092922459378 15.999 > 32 128 O 0.57582134262471 0.72996578320732 0.43092922459378 15.999 > 32 129 O 0.10304132969992 0.22553216758300 0.72882525375638 15.999 > 33 130 O 0.60304132969992 0.22553216758300 0.72882525375638 15.999 > 33 131 O 0.10304132969992 0.72553216758300 0.72882525375638 15.999 > 33 132 O 0.60304132969992 0.72553216758300 0.72882525375638 15.999 > 33 133 O 0.02911871341106 0.47250342424513 0.39432892171465 15.999 > 34 134 O 0.52911871341106 0.47250342424513 0.39432892171465 15.999 > 34 135 O 0.02911871341106 0.97250342424513 0.39432892171465 15.999 > 34 136 O 0.52911871341106 0.97250342424513 0.39432892171465 15.999 > 34 137 O 0.07582134262471 0.27003421679268 0.93092922459378 15.999 > 35 138 O 0.57582134262471 0.27003421679268 0.93092922459378 15.999 > 35 139 O 0.07582134262471 0.77003421679268 0.93092922459378 15.999 > 35 140 O 0.57582134262471 0.77003421679268 0.93092922459378 15.999 > 35 141 O 0.02911871341106 0.02749657575487 0.89432892171465 15.999 > 36 142 O 0.52911871341106 0.02749657575487 0.89432892171465 15.999 > 36 143 O 0.02911871341106 0.52749657575487 0.89432892171465 15.999 > 36 144 O 0.52911871341106 0.52749657575487 0.89432892171465 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2436711 0.0000000 -0.1616999 0.0000000 4.4653416 0.0000000 -0.1617010 0.0000000 4.4130999 -------------------------- Born effective charges -------------------------- 1 Y 3.6639531 0.0000000 0.7676021 0.0000000 4.5301948 0.0000000 0.5715596 0.0000000 3.3497109 2 Y 3.6639531 0.0000000 0.7676021 0.0000000 4.5301948 0.0000000 0.5715596 0.0000000 3.3497109 3 Y 3.9056864 0.4458572 -0.2600289 -0.1129404 3.7085538 -0.0915057 -0.2060040 0.2750885 3.9652065 4 Y 3.9056864 -0.4458572 -0.2600289 0.1129404 3.7085538 0.0915057 -0.2060040 -0.2750885 3.9652065 5 Y 3.5592587 0.0000000 -0.2571923 0.0000000 4.5151407 0.0000000 -0.3277883 0.0000000 3.9635188 6 Y 3.5592587 0.0000000 -0.2571923 0.0000000 4.5151407 0.0000000 -0.3277883 0.0000000 3.9635188 7 Y 3.9056864 -0.4458572 -0.2600289 0.1129404 3.7085538 0.0915057 -0.2060040 -0.2750885 3.9652065 8 Y 3.9056864 0.4458572 -0.2600289 -0.1129404 3.7085538 -0.0915057 -0.2060040 0.2750885 3.9652065 9 Te 5.0286478 0.3961535 -0.3680421 0.0972760 5.1905329 -0.0941657 -0.2444924 -0.0887136 5.3013323 10 Te 5.0286478 -0.3961535 -0.3680421 -0.0972760 5.1905329 0.0941657 -0.2444924 0.0887136 5.3013323 11 Te 5.0286478 -0.3961535 -0.3680421 -0.0972760 5.1905329 0.0941657 -0.2444924 0.0887136 5.3013323 12 Te 5.0286478 0.3961535 -0.3680421 0.0972760 5.1905329 -0.0941657 -0.2444924 -0.0887136 5.3013323 13 O -2.6609772 -0.2882729 0.0880411 -0.1991396 -2.1494706 -0.1303108 -0.0044951 -0.1661425 -1.8870791 14 O -1.6195785 0.4683329 -0.0121021 0.5445979 -2.6135874 -0.4933207 0.0040718 -0.4948646 -2.2900036 15 O -2.6609772 0.2882729 0.0880411 0.1991396 -2.1494706 0.1303108 -0.0044951 0.1661425 -1.8870791 16 O -2.0174631 0.3242382 0.1091193 0.2843889 -2.3238345 -0.0699247 0.2045359 0.0007610 -2.2771227 17 O -1.6195785 -0.4683329 -0.0121021 -0.5445979 -2.6135874 0.4933207 0.0040718 0.4948646 -2.2900036 18 O -2.0651515 0.3280475 0.2003208 0.3255798 -2.4929408 -0.3716856 0.1986275 -0.3550064 -2.0974169 19 O -2.0174631 -0.3242382 0.1091193 -0.2843889 -2.3238345 0.0699247 0.2045359 -0.0007610 -2.2771227 20 O -1.4630409 0.4014166 -0.0866434 0.4281485 -1.9990837 -0.3243945 -0.0022798 -0.3019958 -2.7987643 21 O -2.7197290 -0.1340355 0.0741304 -0.1878151 -1.8428373 0.4327035 -0.0718494 0.4180754 -1.5727671 22 O -2.0651515 -0.3280475 0.2003208 -0.3255798 -2.4929408 0.3716856 0.1986275 0.3550064 -2.0974169 23 O -2.7197290 0.1340355 0.0741304 0.1878151 -1.8428373 -0.4327035 -0.0718494 -0.4180754 -1.5727671 24 O -1.4630409 -0.4014166 -0.0866434 -0.4281485 -1.9990837 0.3243945 -0.0022798 0.3019958 -2.7987643 25 O -1.4630409 -0.4014166 -0.0866434 -0.4281485 -1.9990837 0.3243945 -0.0022798 0.3019958 -2.7987643 26 O -2.7197290 0.1340355 0.0741304 0.1878151 -1.8428373 -0.4327035 -0.0718494 -0.4180754 -1.5727671 27 O -2.0651515 -0.3280475 0.2003208 -0.3255798 -2.4929408 0.3716856 0.1986275 0.3550064 -2.0974169 28 O -2.7197290 -0.1340355 0.0741304 -0.1878151 -1.8428373 0.4327035 -0.0718494 0.4180754 -1.5727671 29 O -1.4630409 0.4014166 -0.0866434 0.4281485 -1.9990837 -0.3243945 -0.0022798 -0.3019958 -2.7987643 30 O -2.0174631 -0.3242382 0.1091193 -0.2843889 -2.3238345 0.0699247 0.2045359 -0.0007610 -2.2771227 31 O -2.0651515 0.3280475 0.2003208 0.3255798 -2.4929408 -0.3716856 0.1986275 -0.3550064 -2.0974169 32 O -1.6195785 -0.4683329 -0.0121021 -0.5445979 -2.6135874 0.4933207 0.0040718 0.4948646 -2.2900036 33 O -2.0174631 0.3242382 0.1091193 0.2843889 -2.3238345 -0.0699247 0.2045359 0.0007610 -2.2771227 34 O -2.6609772 0.2882729 0.0880411 0.1991396 -2.1494706 0.1303108 -0.0044951 0.1661425 -1.8870791 35 O -1.6195785 0.4683329 -0.0121021 0.5445979 -2.6135874 -0.4933207 0.0040718 -0.4948646 -2.2900036 36 O -2.6609772 -0.2882729 0.0880411 -0.1991396 -2.1494706 -0.1303108 -0.0044951 -0.1661425 -1.8870791 ---------------------------------------------------------------------------- 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: 6052 Number of blocks in projector: 6052 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (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: 1304 / 1304 (1) 295 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (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: 1288 / 1288 (1) 273 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (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: 1288 / 1288 (1) 273 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 724 / 724 (1) 216 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 724 / 724 (1) 216 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 724 / 724 (1) 216 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (6052, 5971), data: False |-- (724, 714), data: False |-- (724, 8), data: (724, 18) @ (18, 8) |-- (224, 216), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (724, 714), data: False |-- (724, 8), data: (724, 18) @ (18, 8) |-- (224, 216), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (724, 714), data: False |-- (724, 8), data: (724, 18) @ (18, 8) |-- (224, 216), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 29), data: (1288, 45) @ (45, 29) |-- (288, 273), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 29), data: (1288, 45) @ (45, 29) |-- (288, 273), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1285), data: False |-- (1304, 24), data: (1304, 43) @ (43, 24) |-- (304, 295), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.015 Solver_block: 200 / 1120 - Time: 1.793 Solver_block: 300 / 1120 - Time: 1.795 Solver_block: 400 / 1120 - Time: 1.799 Solver_block: 500 / 1120 - Time: 1.799 Solver_block: 600 / 1120 - Time: 1.798 Solver_block: 700 / 1120 - Time: 1.803 Solver_block: 800 / 1120 - Time: 1.799 Solver_block: 900 / 1120 - Time: 1.796 Solver_block: 1000 / 1120 - Time: 1.797 Solver_block: 1100 / 1120 - Time: 1.799 Solver_block: 1120 / 1120 - Time: 0.548 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.044 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 6052 Number of blocks in projector: 6052 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (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: 1304 / 1304 (1) 295 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (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: 1288 / 1288 (1) 273 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (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: 1288 / 1288 (1) 273 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 724 / 724 (1) 216 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 724 / 724 (1) 216 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 724 / 724 (1) 216 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (6052, 5971), data: False |-- (724, 714), data: False |-- (724, 8), data: (724, 18) @ (18, 8) |-- (224, 216), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (724, 714), data: False |-- (724, 8), data: (724, 18) @ (18, 8) |-- (224, 216), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (724, 714), data: False |-- (724, 8), data: (724, 18) @ (18, 8) |-- (224, 216), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 29), data: (1288, 45) @ (45, 29) |-- (288, 273), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 29), data: (1288, 45) @ (45, 29) |-- (288, 273), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1285), data: False |-- (1304, 24), data: (1304, 43) @ (43, 24) |-- (304, 295), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 2026-01-09 02:24:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:24:12]------------------------- 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/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.616350580090750 0.000000000000000 0.000000000000000 b 0.000000000000000 5.384698160000000 0.000000000000000 c -2.792789538719529 0.000000000000000 11.020700786841461 Atomic positions (fractional): 1 Y 0.00000000000000 0.25648724396332 0.25000000000000 88.906 2 Y 0.00000000000000 0.74351275603668 0.75000000000000 88.906 3 Y 0.78724812580986 0.81038710396417 0.42279298710590 88.906 4 Y 0.78724812580986 0.18961289603583 0.92279298710589 88.906 5 Y 0.50000000000000 0.31264040159906 0.25000000000000 88.906 6 Y 0.50000000000000 0.68735959840094 0.75000000000000 88.906 7 Y 0.21275187419014 0.81038710396417 0.07720701289411 88.906 8 Y 0.21275187419014 0.18961289603583 0.57720701289411 88.906 9 Te 0.72615069784360 0.74278113676278 0.11519745910274 127.600 10 Te 0.72615069784360 0.25721886323722 0.61519745910274 127.600 11 Te 0.27384930215640 0.74278113676278 0.38480254089726 127.600 12 Te 0.27384930215640 0.25721886323722 0.88480254089726 127.600 13 O 0.94176257317789 0.94500684849026 0.10567107828535 15.999 14 O 0.84835731475057 0.45993156641464 0.06907077540622 15.999 15 O 0.94176257317789 0.05499315150974 0.60567107828535 15.999 16 O 0.79391734060016 0.54893566483400 0.27117474624362 15.999 17 O 0.84835731475057 0.54006843358536 0.56907077540622 15.999 18 O 0.70771043398770 0.02150451851836 0.22582906837762 15.999 19 O 0.79391734060016 0.45106433516600 0.77117474624362 15.999 20 O 0.63852485615048 0.14838640918666 0.44975062693080 15.999 21 O 0.49048195263660 0.62762694856053 0.11469715604498 15.999 22 O 0.70771043398770 0.97849548148165 0.72582906837762 15.999 23 O 0.50951804736340 0.62762694856053 0.38530284395502 15.999 24 O 0.36147514384952 0.14838640918666 0.05024937306920 15.999 25 O 0.63852485615048 0.85161359081334 0.94975062693080 15.999 26 O 0.49048195263660 0.37237305143947 0.61469715604498 15.999 27 O 0.29228956601230 0.02150451851836 0.27417093162238 15.999 28 O 0.50951804736340 0.37237305143947 0.88530284395502 15.999 29 O 0.36147514384952 0.85161359081334 0.55024937306920 15.999 30 O 0.20608265939984 0.54893566483400 0.22882525375638 15.999 31 O 0.29228956601230 0.97849548148165 0.77417093162238 15.999 32 O 0.15164268524943 0.45993156641464 0.43092922459378 15.999 33 O 0.20608265939984 0.45106433516600 0.72882525375638 15.999 34 O 0.05823742682211 0.94500684849026 0.39432892171465 15.999 35 O 0.15164268524943 0.54006843358536 0.93092922459378 15.999 36 O 0.05823742682211 0.05499315150974 0.89432892171465 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.232701160181501 0.000000000000000 0.000000000000000 b 0.000000000000000 10.769396320000000 0.000000000000000 c -2.792789538719529 0.000000000000000 11.020700786841461 Atomic positions (fractional): 1 Y 0.00000000000000 0.12824362198166 0.25000000000000 88.906 > 1 2 Y 0.50000000000000 0.12824362198166 0.25000000000000 88.906 > 1 3 Y 0.00000000000000 0.62824362198166 0.25000000000000 88.906 > 1 4 Y 0.50000000000000 0.62824362198166 0.25000000000000 88.906 > 1 5 Y 0.00000000000000 0.37175637801834 0.75000000000000 88.906 > 5 6 Y 0.50000000000000 0.37175637801834 0.75000000000000 88.906 > 5 7 Y 0.00000000000000 0.87175637801834 0.75000000000000 88.906 > 5 8 Y 0.50000000000000 0.87175637801834 0.75000000000000 88.906 > 5 9 Y 0.39362406290493 0.40519355198208 0.42279298710590 88.906 > 9 10 Y 0.89362406290493 0.40519355198208 0.42279298710590 88.906 > 9 11 Y 0.39362406290493 0.90519355198208 0.42279298710590 88.906 > 9 12 Y 0.89362406290493 0.90519355198208 0.42279298710590 88.906 > 9 13 Y 0.39362406290493 0.09480644801792 0.92279298710589 88.906 > 13 14 Y 0.89362406290493 0.09480644801792 0.92279298710589 88.906 > 13 15 Y 0.39362406290493 0.59480644801792 0.92279298710589 88.906 > 13 16 Y 0.89362406290493 0.59480644801792 0.92279298710589 88.906 > 13 17 Y 0.25000000000000 0.15632020079953 0.25000000000000 88.906 > 17 18 Y 0.75000000000000 0.15632020079953 0.25000000000000 88.906 > 17 19 Y 0.25000000000000 0.65632020079953 0.25000000000000 88.906 > 17 20 Y 0.75000000000000 0.65632020079953 0.25000000000000 88.906 > 17 21 Y 0.25000000000000 0.34367979920047 0.75000000000000 88.906 > 21 22 Y 0.75000000000000 0.34367979920047 0.75000000000000 88.906 > 21 23 Y 0.25000000000000 0.84367979920047 0.75000000000000 88.906 > 21 24 Y 0.75000000000000 0.84367979920047 0.75000000000000 88.906 > 21 25 Y 0.10637593709507 0.40519355198208 0.07720701289411 88.906 > 25 26 Y 0.60637593709507 0.40519355198208 0.07720701289411 88.906 > 25 27 Y 0.10637593709507 0.90519355198208 0.07720701289411 88.906 > 25 28 Y 0.60637593709507 0.90519355198208 0.07720701289411 88.906 > 25 29 Y 0.10637593709507 0.09480644801792 0.57720701289411 88.906 > 29 30 Y 0.60637593709507 0.09480644801792 0.57720701289411 88.906 > 29 31 Y 0.10637593709507 0.59480644801792 0.57720701289411 88.906 > 29 32 Y 0.60637593709507 0.59480644801792 0.57720701289411 88.906 > 29 33 Te 0.36307534892180 0.37139056838139 0.11519745910274 127.600 > 33 34 Te 0.86307534892180 0.37139056838139 0.11519745910274 127.600 > 33 35 Te 0.36307534892180 0.87139056838139 0.11519745910274 127.600 > 33 36 Te 0.86307534892180 0.87139056838139 0.11519745910274 127.600 > 33 37 Te 0.36307534892180 0.12860943161861 0.61519745910274 127.600 > 37 38 Te 0.86307534892180 0.12860943161861 0.61519745910274 127.600 > 37 39 Te 0.36307534892180 0.62860943161861 0.61519745910274 127.600 > 37 40 Te 0.86307534892180 0.62860943161861 0.61519745910274 127.600 > 37 41 Te 0.13692465107820 0.37139056838139 0.38480254089726 127.600 > 41 42 Te 0.63692465107820 0.37139056838139 0.38480254089726 127.600 > 41 43 Te 0.13692465107820 0.87139056838139 0.38480254089726 127.600 > 41 44 Te 0.63692465107820 0.87139056838139 0.38480254089726 127.600 > 41 45 Te 0.13692465107820 0.12860943161861 0.88480254089726 127.600 > 45 46 Te 0.63692465107820 0.12860943161861 0.88480254089726 127.600 > 45 47 Te 0.13692465107820 0.62860943161861 0.88480254089726 127.600 > 45 48 Te 0.63692465107820 0.62860943161861 0.88480254089726 127.600 > 45 49 O 0.47088128658894 0.47250342424513 0.10567107828535 15.999 > 49 50 O 0.97088128658894 0.47250342424513 0.10567107828535 15.999 > 49 51 O 0.47088128658894 0.97250342424513 0.10567107828535 15.999 > 49 52 O 0.97088128658894 0.97250342424513 0.10567107828535 15.999 > 49 53 O 0.42417865737529 0.22996578320732 0.06907077540622 15.999 > 53 54 O 0.92417865737529 0.22996578320732 0.06907077540622 15.999 > 53 55 O 0.42417865737529 0.72996578320732 0.06907077540622 15.999 > 53 56 O 0.92417865737529 0.72996578320732 0.06907077540622 15.999 > 53 57 O 0.47088128658894 0.02749657575487 0.60567107828535 15.999 > 57 58 O 0.97088128658894 0.02749657575487 0.60567107828535 15.999 > 57 59 O 0.47088128658894 0.52749657575487 0.60567107828535 15.999 > 57 60 O 0.97088128658894 0.52749657575487 0.60567107828535 15.999 > 57 61 O 0.39695867030008 0.27446783241700 0.27117474624362 15.999 > 61 62 O 0.89695867030008 0.27446783241700 0.27117474624362 15.999 > 61 63 O 0.39695867030008 0.77446783241700 0.27117474624362 15.999 > 61 64 O 0.89695867030008 0.77446783241700 0.27117474624362 15.999 > 61 65 O 0.42417865737529 0.27003421679268 0.56907077540622 15.999 > 65 66 O 0.92417865737529 0.27003421679268 0.56907077540622 15.999 > 65 67 O 0.42417865737529 0.77003421679268 0.56907077540622 15.999 > 65 68 O 0.92417865737529 0.77003421679268 0.56907077540622 15.999 > 65 69 O 0.35385521699385 0.01075225925918 0.22582906837762 15.999 > 69 70 O 0.85385521699385 0.01075225925918 0.22582906837762 15.999 > 69 71 O 0.35385521699385 0.51075225925918 0.22582906837762 15.999 > 69 72 O 0.85385521699385 0.51075225925918 0.22582906837762 15.999 > 69 73 O 0.39695867030008 0.22553216758300 0.77117474624362 15.999 > 73 74 O 0.89695867030008 0.22553216758300 0.77117474624362 15.999 > 73 75 O 0.39695867030008 0.72553216758300 0.77117474624362 15.999 > 73 76 O 0.89695867030008 0.72553216758300 0.77117474624362 15.999 > 73 77 O 0.31926242807524 0.07419320459333 0.44975062693080 15.999 > 77 78 O 0.81926242807524 0.07419320459333 0.44975062693080 15.999 > 77 79 O 0.31926242807524 0.57419320459333 0.44975062693080 15.999 > 77 80 O 0.81926242807524 0.57419320459333 0.44975062693080 15.999 > 77 81 O 0.24524097631830 0.31381347428026 0.11469715604498 15.999 > 81 82 O 0.74524097631830 0.31381347428026 0.11469715604498 15.999 > 81 83 O 0.24524097631830 0.81381347428026 0.11469715604498 15.999 > 81 84 O 0.74524097631830 0.81381347428026 0.11469715604498 15.999 > 81 85 O 0.35385521699385 0.48924774074082 0.72582906837762 15.999 > 85 86 O 0.85385521699385 0.48924774074082 0.72582906837762 15.999 > 85 87 O 0.35385521699385 0.98924774074082 0.72582906837762 15.999 > 85 88 O 0.85385521699385 0.98924774074082 0.72582906837762 15.999 > 85 89 O 0.25475902368170 0.31381347428026 0.38530284395502 15.999 > 89 90 O 0.75475902368170 0.31381347428026 0.38530284395502 15.999 > 89 91 O 0.25475902368170 0.81381347428026 0.38530284395502 15.999 > 89 92 O 0.75475902368170 0.81381347428026 0.38530284395502 15.999 > 89 93 O 0.18073757192476 0.07419320459333 0.05024937306920 15.999 > 93 94 O 0.68073757192476 0.07419320459333 0.05024937306920 15.999 > 93 95 O 0.18073757192476 0.57419320459333 0.05024937306920 15.999 > 93 96 O 0.68073757192476 0.57419320459333 0.05024937306920 15.999 > 93 97 O 0.31926242807524 0.42580679540667 0.94975062693080 15.999 > 97 98 O 0.81926242807524 0.42580679540667 0.94975062693080 15.999 > 97 99 O 0.31926242807524 0.92580679540667 0.94975062693080 15.999 > 97 100 O 0.81926242807524 0.92580679540667 0.94975062693080 15.999 > 97 101 O 0.24524097631830 0.18618652571974 0.61469715604498 15.999 > 101 102 O 0.74524097631830 0.18618652571974 0.61469715604498 15.999 > 101 103 O 0.24524097631830 0.68618652571974 0.61469715604498 15.999 > 101 104 O 0.74524097631830 0.68618652571974 0.61469715604498 15.999 > 101 105 O 0.14614478300615 0.01075225925918 0.27417093162238 15.999 > 105 106 O 0.64614478300615 0.01075225925918 0.27417093162238 15.999 > 105 107 O 0.14614478300615 0.51075225925918 0.27417093162238 15.999 > 105 108 O 0.64614478300615 0.51075225925918 0.27417093162238 15.999 > 105 109 O 0.25475902368170 0.18618652571974 0.88530284395502 15.999 > 109 110 O 0.75475902368170 0.18618652571974 0.88530284395502 15.999 > 109 111 O 0.25475902368170 0.68618652571974 0.88530284395502 15.999 > 109 112 O 0.75475902368170 0.68618652571974 0.88530284395502 15.999 > 109 113 O 0.18073757192476 0.42580679540667 0.55024937306920 15.999 > 113 114 O 0.68073757192476 0.42580679540667 0.55024937306920 15.999 > 113 115 O 0.18073757192476 0.92580679540667 0.55024937306920 15.999 > 113 116 O 0.68073757192476 0.92580679540667 0.55024937306920 15.999 > 113 117 O 0.10304132969992 0.27446783241700 0.22882525375638 15.999 > 117 118 O 0.60304132969992 0.27446783241700 0.22882525375638 15.999 > 117 119 O 0.10304132969992 0.77446783241700 0.22882525375638 15.999 > 117 120 O 0.60304132969992 0.77446783241700 0.22882525375638 15.999 > 117 121 O 0.14614478300615 0.48924774074082 0.77417093162238 15.999 > 121 122 O 0.64614478300615 0.48924774074082 0.77417093162238 15.999 > 121 123 O 0.14614478300615 0.98924774074082 0.77417093162238 15.999 > 121 124 O 0.64614478300615 0.98924774074082 0.77417093162238 15.999 > 121 125 O 0.07582134262471 0.22996578320732 0.43092922459378 15.999 > 125 126 O 0.57582134262471 0.22996578320732 0.43092922459378 15.999 > 125 127 O 0.07582134262471 0.72996578320732 0.43092922459378 15.999 > 125 128 O 0.57582134262471 0.72996578320732 0.43092922459378 15.999 > 125 129 O 0.10304132969992 0.22553216758300 0.72882525375638 15.999 > 129 130 O 0.60304132969992 0.22553216758300 0.72882525375638 15.999 > 129 131 O 0.10304132969992 0.72553216758300 0.72882525375638 15.999 > 129 132 O 0.60304132969992 0.72553216758300 0.72882525375638 15.999 > 129 133 O 0.02911871341106 0.47250342424513 0.39432892171465 15.999 > 133 134 O 0.52911871341106 0.47250342424513 0.39432892171465 15.999 > 133 135 O 0.02911871341106 0.97250342424513 0.39432892171465 15.999 > 133 136 O 0.52911871341106 0.97250342424513 0.39432892171465 15.999 > 133 137 O 0.07582134262471 0.27003421679268 0.93092922459378 15.999 > 137 138 O 0.57582134262471 0.27003421679268 0.93092922459378 15.999 > 137 139 O 0.07582134262471 0.77003421679268 0.93092922459378 15.999 > 137 140 O 0.57582134262471 0.77003421679268 0.93092922459378 15.999 > 137 141 O 0.02911871341106 0.02749657575487 0.89432892171465 15.999 > 141 142 O 0.52911871341106 0.02749657575487 0.89432892171465 15.999 > 141 143 O 0.02911871341106 0.52749657575487 0.89432892171465 15.999 > 141 144 O 0.52911871341106 0.52749657575487 0.89432892171465 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2436711 0.0000000 -0.1616999 0.0000000 4.4653416 0.0000000 -0.1617010 0.0000000 4.4130999 -------------------------- Born effective charges -------------------------- 1 Y 3.6639531 0.0000000 0.7676021 0.0000000 4.5301948 0.0000000 0.5715596 0.0000000 3.3497109 2 Y 3.6639531 0.0000000 0.7676021 0.0000000 4.5301948 0.0000000 0.5715596 0.0000000 3.3497109 3 Y 3.9056864 0.4458572 -0.2600289 -0.1129404 3.7085538 -0.0915057 -0.2060040 0.2750885 3.9652065 4 Y 3.9056864 -0.4458572 -0.2600289 0.1129404 3.7085538 0.0915057 -0.2060040 -0.2750885 3.9652065 5 Y 3.5592587 0.0000000 -0.2571923 0.0000000 4.5151407 0.0000000 -0.3277883 0.0000000 3.9635188 6 Y 3.5592587 0.0000000 -0.2571923 0.0000000 4.5151407 0.0000000 -0.3277883 0.0000000 3.9635188 7 Y 3.9056864 -0.4458572 -0.2600289 0.1129404 3.7085538 0.0915057 -0.2060040 -0.2750885 3.9652065 8 Y 3.9056864 0.4458572 -0.2600289 -0.1129404 3.7085538 -0.0915057 -0.2060040 0.2750885 3.9652065 9 Te 5.0286478 0.3961535 -0.3680421 0.0972760 5.1905329 -0.0941657 -0.2444924 -0.0887136 5.3013323 10 Te 5.0286478 -0.3961535 -0.3680421 -0.0972760 5.1905329 0.0941657 -0.2444924 0.0887136 5.3013323 11 Te 5.0286478 -0.3961535 -0.3680421 -0.0972760 5.1905329 0.0941657 -0.2444924 0.0887136 5.3013323 12 Te 5.0286478 0.3961535 -0.3680421 0.0972760 5.1905329 -0.0941657 -0.2444924 -0.0887136 5.3013323 13 O -2.6609772 -0.2882729 0.0880411 -0.1991396 -2.1494706 -0.1303108 -0.0044951 -0.1661425 -1.8870791 14 O -1.6195785 0.4683329 -0.0121021 0.5445979 -2.6135874 -0.4933207 0.0040718 -0.4948646 -2.2900036 15 O -2.6609772 0.2882729 0.0880411 0.1991396 -2.1494706 0.1303108 -0.0044951 0.1661425 -1.8870791 16 O -2.0174631 0.3242382 0.1091193 0.2843889 -2.3238345 -0.0699247 0.2045359 0.0007610 -2.2771227 17 O -1.6195785 -0.4683329 -0.0121021 -0.5445979 -2.6135874 0.4933207 0.0040718 0.4948646 -2.2900036 18 O -2.0651515 0.3280475 0.2003208 0.3255798 -2.4929408 -0.3716856 0.1986275 -0.3550064 -2.0974169 19 O -2.0174631 -0.3242382 0.1091193 -0.2843889 -2.3238345 0.0699247 0.2045359 -0.0007610 -2.2771227 20 O -1.4630409 0.4014166 -0.0866434 0.4281485 -1.9990837 -0.3243945 -0.0022798 -0.3019958 -2.7987643 21 O -2.7197290 -0.1340355 0.0741304 -0.1878151 -1.8428373 0.4327035 -0.0718494 0.4180754 -1.5727671 22 O -2.0651515 -0.3280475 0.2003208 -0.3255798 -2.4929408 0.3716856 0.1986275 0.3550064 -2.0974169 23 O -2.7197290 0.1340355 0.0741304 0.1878151 -1.8428373 -0.4327035 -0.0718494 -0.4180754 -1.5727671 24 O -1.4630409 -0.4014166 -0.0866434 -0.4281485 -1.9990837 0.3243945 -0.0022798 0.3019958 -2.7987643 25 O -1.4630409 -0.4014166 -0.0866434 -0.4281485 -1.9990837 0.3243945 -0.0022798 0.3019958 -2.7987643 26 O -2.7197290 0.1340355 0.0741304 0.1878151 -1.8428373 -0.4327035 -0.0718494 -0.4180754 -1.5727671 27 O -2.0651515 -0.3280475 0.2003208 -0.3255798 -2.4929408 0.3716856 0.1986275 0.3550064 -2.0974169 28 O -2.7197290 -0.1340355 0.0741304 -0.1878151 -1.8428373 0.4327035 -0.0718494 0.4180754 -1.5727671 29 O -1.4630409 0.4014166 -0.0866434 0.4281485 -1.9990837 -0.3243945 -0.0022798 -0.3019958 -2.7987643 30 O -2.0174631 -0.3242382 0.1091193 -0.2843889 -2.3238345 0.0699247 0.2045359 -0.0007610 -2.2771227 31 O -2.0651515 0.3280475 0.2003208 0.3255798 -2.4929408 -0.3716856 0.1986275 -0.3550064 -2.0974169 32 O -1.6195785 -0.4683329 -0.0121021 -0.5445979 -2.6135874 0.4933207 0.0040718 0.4948646 -2.2900036 33 O -2.0174631 0.3242382 0.1091193 0.2843889 -2.3238345 -0.0699247 0.2045359 0.0007610 -2.2771227 34 O -2.6609772 0.2882729 0.0880411 0.1991396 -2.1494706 0.1303108 -0.0044951 0.1661425 -1.8870791 35 O -1.6195785 0.4683329 -0.0121021 0.5445979 -2.6135874 -0.4933207 0.0040718 -0.4948646 -2.2900036 36 O -2.6609772 -0.2882729 0.0880411 -0.1991396 -2.1494706 -0.1303108 -0.0044951 -0.1661425 -1.8870791 ---------------------------------------------------------------------------- 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 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] [-0.0025 0.0000 0.0097] [ 0.0025 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] [-0.0025 0.0000 0.0097] [ 0.0025 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 53, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 61, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 77, 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] [-0.0025 0.0000 0.0097] [ 0.0025 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (yyy) -0.00000004 (yyy) -0.00000004 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) 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 2026-01-09 02:25:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:25:20]------------------------- 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/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.616350580090750 0.000000000000000 0.000000000000000 b 0.000000000000000 5.384698160000000 0.000000000000000 c -2.792789538719529 0.000000000000000 11.020700786841461 Atomic positions (fractional): 1 Y 0.00000000000000 0.25648724396332 0.25000000000000 88.906 2 Y 0.00000000000000 0.74351275603668 0.75000000000000 88.906 3 Y 0.78724812580986 0.81038710396417 0.42279298710590 88.906 4 Y 0.78724812580986 0.18961289603583 0.92279298710589 88.906 5 Y 0.50000000000000 0.31264040159906 0.25000000000000 88.906 6 Y 0.50000000000000 0.68735959840094 0.75000000000000 88.906 7 Y 0.21275187419014 0.81038710396417 0.07720701289411 88.906 8 Y 0.21275187419014 0.18961289603583 0.57720701289411 88.906 9 Te 0.72615069784360 0.74278113676278 0.11519745910274 127.600 10 Te 0.72615069784360 0.25721886323722 0.61519745910274 127.600 11 Te 0.27384930215640 0.74278113676278 0.38480254089726 127.600 12 Te 0.27384930215640 0.25721886323722 0.88480254089726 127.600 13 O 0.94176257317789 0.94500684849026 0.10567107828535 15.999 14 O 0.84835731475057 0.45993156641464 0.06907077540622 15.999 15 O 0.94176257317789 0.05499315150974 0.60567107828535 15.999 16 O 0.79391734060016 0.54893566483400 0.27117474624362 15.999 17 O 0.84835731475057 0.54006843358536 0.56907077540622 15.999 18 O 0.70771043398770 0.02150451851836 0.22582906837762 15.999 19 O 0.79391734060016 0.45106433516600 0.77117474624362 15.999 20 O 0.63852485615048 0.14838640918666 0.44975062693080 15.999 21 O 0.49048195263660 0.62762694856053 0.11469715604498 15.999 22 O 0.70771043398770 0.97849548148165 0.72582906837762 15.999 23 O 0.50951804736340 0.62762694856053 0.38530284395502 15.999 24 O 0.36147514384952 0.14838640918666 0.05024937306920 15.999 25 O 0.63852485615048 0.85161359081334 0.94975062693080 15.999 26 O 0.49048195263660 0.37237305143947 0.61469715604498 15.999 27 O 0.29228956601230 0.02150451851836 0.27417093162238 15.999 28 O 0.50951804736340 0.37237305143947 0.88530284395502 15.999 29 O 0.36147514384952 0.85161359081334 0.55024937306920 15.999 30 O 0.20608265939984 0.54893566483400 0.22882525375638 15.999 31 O 0.29228956601230 0.97849548148165 0.77417093162238 15.999 32 O 0.15164268524943 0.45993156641464 0.43092922459378 15.999 33 O 0.20608265939984 0.45106433516600 0.72882525375638 15.999 34 O 0.05823742682211 0.94500684849026 0.39432892171465 15.999 35 O 0.15164268524943 0.54006843358536 0.93092922459378 15.999 36 O 0.05823742682211 0.05499315150974 0.89432892171465 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.232701160181501 0.000000000000000 0.000000000000000 b 0.000000000000000 10.769396320000000 0.000000000000000 c -2.792789538719529 0.000000000000000 11.020700786841461 Atomic positions (fractional): 1 Y 0.00000000000000 0.12824362198166 0.25000000000000 88.906 > 1 2 Y 0.50000000000000 0.12824362198166 0.25000000000000 88.906 > 1 3 Y 0.00000000000000 0.62824362198166 0.25000000000000 88.906 > 1 4 Y 0.50000000000000 0.62824362198166 0.25000000000000 88.906 > 1 5 Y 0.00000000000000 0.37175637801834 0.75000000000000 88.906 > 5 6 Y 0.50000000000000 0.37175637801834 0.75000000000000 88.906 > 5 7 Y 0.00000000000000 0.87175637801834 0.75000000000000 88.906 > 5 8 Y 0.50000000000000 0.87175637801834 0.75000000000000 88.906 > 5 9 Y 0.39362406290493 0.40519355198208 0.42279298710590 88.906 > 9 10 Y 0.89362406290493 0.40519355198208 0.42279298710590 88.906 > 9 11 Y 0.39362406290493 0.90519355198208 0.42279298710590 88.906 > 9 12 Y 0.89362406290493 0.90519355198208 0.42279298710590 88.906 > 9 13 Y 0.39362406290493 0.09480644801792 0.92279298710589 88.906 > 13 14 Y 0.89362406290493 0.09480644801792 0.92279298710589 88.906 > 13 15 Y 0.39362406290493 0.59480644801792 0.92279298710589 88.906 > 13 16 Y 0.89362406290493 0.59480644801792 0.92279298710589 88.906 > 13 17 Y 0.25000000000000 0.15632020079953 0.25000000000000 88.906 > 17 18 Y 0.75000000000000 0.15632020079953 0.25000000000000 88.906 > 17 19 Y 0.25000000000000 0.65632020079953 0.25000000000000 88.906 > 17 20 Y 0.75000000000000 0.65632020079953 0.25000000000000 88.906 > 17 21 Y 0.25000000000000 0.34367979920047 0.75000000000000 88.906 > 21 22 Y 0.75000000000000 0.34367979920047 0.75000000000000 88.906 > 21 23 Y 0.25000000000000 0.84367979920047 0.75000000000000 88.906 > 21 24 Y 0.75000000000000 0.84367979920047 0.75000000000000 88.906 > 21 25 Y 0.10637593709507 0.40519355198208 0.07720701289411 88.906 > 25 26 Y 0.60637593709507 0.40519355198208 0.07720701289411 88.906 > 25 27 Y 0.10637593709507 0.90519355198208 0.07720701289411 88.906 > 25 28 Y 0.60637593709507 0.90519355198208 0.07720701289411 88.906 > 25 29 Y 0.10637593709507 0.09480644801792 0.57720701289411 88.906 > 29 30 Y 0.60637593709507 0.09480644801792 0.57720701289411 88.906 > 29 31 Y 0.10637593709507 0.59480644801792 0.57720701289411 88.906 > 29 32 Y 0.60637593709507 0.59480644801792 0.57720701289411 88.906 > 29 33 Te 0.36307534892180 0.37139056838139 0.11519745910274 127.600 > 33 34 Te 0.86307534892180 0.37139056838139 0.11519745910274 127.600 > 33 35 Te 0.36307534892180 0.87139056838139 0.11519745910274 127.600 > 33 36 Te 0.86307534892180 0.87139056838139 0.11519745910274 127.600 > 33 37 Te 0.36307534892180 0.12860943161861 0.61519745910274 127.600 > 37 38 Te 0.86307534892180 0.12860943161861 0.61519745910274 127.600 > 37 39 Te 0.36307534892180 0.62860943161861 0.61519745910274 127.600 > 37 40 Te 0.86307534892180 0.62860943161861 0.61519745910274 127.600 > 37 41 Te 0.13692465107820 0.37139056838139 0.38480254089726 127.600 > 41 42 Te 0.63692465107820 0.37139056838139 0.38480254089726 127.600 > 41 43 Te 0.13692465107820 0.87139056838139 0.38480254089726 127.600 > 41 44 Te 0.63692465107820 0.87139056838139 0.38480254089726 127.600 > 41 45 Te 0.13692465107820 0.12860943161861 0.88480254089726 127.600 > 45 46 Te 0.63692465107820 0.12860943161861 0.88480254089726 127.600 > 45 47 Te 0.13692465107820 0.62860943161861 0.88480254089726 127.600 > 45 48 Te 0.63692465107820 0.62860943161861 0.88480254089726 127.600 > 45 49 O 0.47088128658894 0.47250342424513 0.10567107828535 15.999 > 49 50 O 0.97088128658894 0.47250342424513 0.10567107828535 15.999 > 49 51 O 0.47088128658894 0.97250342424513 0.10567107828535 15.999 > 49 52 O 0.97088128658894 0.97250342424513 0.10567107828535 15.999 > 49 53 O 0.42417865737529 0.22996578320732 0.06907077540622 15.999 > 53 54 O 0.92417865737529 0.22996578320732 0.06907077540622 15.999 > 53 55 O 0.42417865737529 0.72996578320732 0.06907077540622 15.999 > 53 56 O 0.92417865737529 0.72996578320732 0.06907077540622 15.999 > 53 57 O 0.47088128658894 0.02749657575487 0.60567107828535 15.999 > 57 58 O 0.97088128658894 0.02749657575487 0.60567107828535 15.999 > 57 59 O 0.47088128658894 0.52749657575487 0.60567107828535 15.999 > 57 60 O 0.97088128658894 0.52749657575487 0.60567107828535 15.999 > 57 61 O 0.39695867030008 0.27446783241700 0.27117474624362 15.999 > 61 62 O 0.89695867030008 0.27446783241700 0.27117474624362 15.999 > 61 63 O 0.39695867030008 0.77446783241700 0.27117474624362 15.999 > 61 64 O 0.89695867030008 0.77446783241700 0.27117474624362 15.999 > 61 65 O 0.42417865737529 0.27003421679268 0.56907077540622 15.999 > 65 66 O 0.92417865737529 0.27003421679268 0.56907077540622 15.999 > 65 67 O 0.42417865737529 0.77003421679268 0.56907077540622 15.999 > 65 68 O 0.92417865737529 0.77003421679268 0.56907077540622 15.999 > 65 69 O 0.35385521699385 0.01075225925918 0.22582906837762 15.999 > 69 70 O 0.85385521699385 0.01075225925918 0.22582906837762 15.999 > 69 71 O 0.35385521699385 0.51075225925918 0.22582906837762 15.999 > 69 72 O 0.85385521699385 0.51075225925918 0.22582906837762 15.999 > 69 73 O 0.39695867030008 0.22553216758300 0.77117474624362 15.999 > 73 74 O 0.89695867030008 0.22553216758300 0.77117474624362 15.999 > 73 75 O 0.39695867030008 0.72553216758300 0.77117474624362 15.999 > 73 76 O 0.89695867030008 0.72553216758300 0.77117474624362 15.999 > 73 77 O 0.31926242807524 0.07419320459333 0.44975062693080 15.999 > 77 78 O 0.81926242807524 0.07419320459333 0.44975062693080 15.999 > 77 79 O 0.31926242807524 0.57419320459333 0.44975062693080 15.999 > 77 80 O 0.81926242807524 0.57419320459333 0.44975062693080 15.999 > 77 81 O 0.24524097631830 0.31381347428026 0.11469715604498 15.999 > 81 82 O 0.74524097631830 0.31381347428026 0.11469715604498 15.999 > 81 83 O 0.24524097631830 0.81381347428026 0.11469715604498 15.999 > 81 84 O 0.74524097631830 0.81381347428026 0.11469715604498 15.999 > 81 85 O 0.35385521699385 0.48924774074082 0.72582906837762 15.999 > 85 86 O 0.85385521699385 0.48924774074082 0.72582906837762 15.999 > 85 87 O 0.35385521699385 0.98924774074082 0.72582906837762 15.999 > 85 88 O 0.85385521699385 0.98924774074082 0.72582906837762 15.999 > 85 89 O 0.25475902368170 0.31381347428026 0.38530284395502 15.999 > 89 90 O 0.75475902368170 0.31381347428026 0.38530284395502 15.999 > 89 91 O 0.25475902368170 0.81381347428026 0.38530284395502 15.999 > 89 92 O 0.75475902368170 0.81381347428026 0.38530284395502 15.999 > 89 93 O 0.18073757192476 0.07419320459333 0.05024937306920 15.999 > 93 94 O 0.68073757192476 0.07419320459333 0.05024937306920 15.999 > 93 95 O 0.18073757192476 0.57419320459333 0.05024937306920 15.999 > 93 96 O 0.68073757192476 0.57419320459333 0.05024937306920 15.999 > 93 97 O 0.31926242807524 0.42580679540667 0.94975062693080 15.999 > 97 98 O 0.81926242807524 0.42580679540667 0.94975062693080 15.999 > 97 99 O 0.31926242807524 0.92580679540667 0.94975062693080 15.999 > 97 100 O 0.81926242807524 0.92580679540667 0.94975062693080 15.999 > 97 101 O 0.24524097631830 0.18618652571974 0.61469715604498 15.999 > 101 102 O 0.74524097631830 0.18618652571974 0.61469715604498 15.999 > 101 103 O 0.24524097631830 0.68618652571974 0.61469715604498 15.999 > 101 104 O 0.74524097631830 0.68618652571974 0.61469715604498 15.999 > 101 105 O 0.14614478300615 0.01075225925918 0.27417093162238 15.999 > 105 106 O 0.64614478300615 0.01075225925918 0.27417093162238 15.999 > 105 107 O 0.14614478300615 0.51075225925918 0.27417093162238 15.999 > 105 108 O 0.64614478300615 0.51075225925918 0.27417093162238 15.999 > 105 109 O 0.25475902368170 0.18618652571974 0.88530284395502 15.999 > 109 110 O 0.75475902368170 0.18618652571974 0.88530284395502 15.999 > 109 111 O 0.25475902368170 0.68618652571974 0.88530284395502 15.999 > 109 112 O 0.75475902368170 0.68618652571974 0.88530284395502 15.999 > 109 113 O 0.18073757192476 0.42580679540667 0.55024937306920 15.999 > 113 114 O 0.68073757192476 0.42580679540667 0.55024937306920 15.999 > 113 115 O 0.18073757192476 0.92580679540667 0.55024937306920 15.999 > 113 116 O 0.68073757192476 0.92580679540667 0.55024937306920 15.999 > 113 117 O 0.10304132969992 0.27446783241700 0.22882525375638 15.999 > 117 118 O 0.60304132969992 0.27446783241700 0.22882525375638 15.999 > 117 119 O 0.10304132969992 0.77446783241700 0.22882525375638 15.999 > 117 120 O 0.60304132969992 0.77446783241700 0.22882525375638 15.999 > 117 121 O 0.14614478300615 0.48924774074082 0.77417093162238 15.999 > 121 122 O 0.64614478300615 0.48924774074082 0.77417093162238 15.999 > 121 123 O 0.14614478300615 0.98924774074082 0.77417093162238 15.999 > 121 124 O 0.64614478300615 0.98924774074082 0.77417093162238 15.999 > 121 125 O 0.07582134262471 0.22996578320732 0.43092922459378 15.999 > 125 126 O 0.57582134262471 0.22996578320732 0.43092922459378 15.999 > 125 127 O 0.07582134262471 0.72996578320732 0.43092922459378 15.999 > 125 128 O 0.57582134262471 0.72996578320732 0.43092922459378 15.999 > 125 129 O 0.10304132969992 0.22553216758300 0.72882525375638 15.999 > 129 130 O 0.60304132969992 0.22553216758300 0.72882525375638 15.999 > 129 131 O 0.10304132969992 0.72553216758300 0.72882525375638 15.999 > 129 132 O 0.60304132969992 0.72553216758300 0.72882525375638 15.999 > 129 133 O 0.02911871341106 0.47250342424513 0.39432892171465 15.999 > 133 134 O 0.52911871341106 0.47250342424513 0.39432892171465 15.999 > 133 135 O 0.02911871341106 0.97250342424513 0.39432892171465 15.999 > 133 136 O 0.52911871341106 0.97250342424513 0.39432892171465 15.999 > 133 137 O 0.07582134262471 0.27003421679268 0.93092922459378 15.999 > 137 138 O 0.57582134262471 0.27003421679268 0.93092922459378 15.999 > 137 139 O 0.07582134262471 0.77003421679268 0.93092922459378 15.999 > 137 140 O 0.57582134262471 0.77003421679268 0.93092922459378 15.999 > 137 141 O 0.02911871341106 0.02749657575487 0.89432892171465 15.999 > 141 142 O 0.52911871341106 0.02749657575487 0.89432892171465 15.999 > 141 143 O 0.02911871341106 0.52749657575487 0.89432892171465 15.999 > 141 144 O 0.52911871341106 0.52749657575487 0.89432892171465 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2436711 0.0000000 -0.1616999 0.0000000 4.4653416 0.0000000 -0.1617010 0.0000000 4.4130999 -------------------------- Born effective charges -------------------------- 1 Y 3.6639531 0.0000000 0.7676021 0.0000000 4.5301948 0.0000000 0.5715596 0.0000000 3.3497109 2 Y 3.6639531 0.0000000 0.7676021 0.0000000 4.5301948 0.0000000 0.5715596 0.0000000 3.3497109 3 Y 3.9056864 0.4458572 -0.2600289 -0.1129404 3.7085538 -0.0915057 -0.2060040 0.2750885 3.9652065 4 Y 3.9056864 -0.4458572 -0.2600289 0.1129404 3.7085538 0.0915057 -0.2060040 -0.2750885 3.9652065 5 Y 3.5592587 0.0000000 -0.2571923 0.0000000 4.5151407 0.0000000 -0.3277883 0.0000000 3.9635188 6 Y 3.5592587 0.0000000 -0.2571923 0.0000000 4.5151407 0.0000000 -0.3277883 0.0000000 3.9635188 7 Y 3.9056864 -0.4458572 -0.2600289 0.1129404 3.7085538 0.0915057 -0.2060040 -0.2750885 3.9652065 8 Y 3.9056864 0.4458572 -0.2600289 -0.1129404 3.7085538 -0.0915057 -0.2060040 0.2750885 3.9652065 9 Te 5.0286478 0.3961535 -0.3680421 0.0972760 5.1905329 -0.0941657 -0.2444924 -0.0887136 5.3013323 10 Te 5.0286478 -0.3961535 -0.3680421 -0.0972760 5.1905329 0.0941657 -0.2444924 0.0887136 5.3013323 11 Te 5.0286478 -0.3961535 -0.3680421 -0.0972760 5.1905329 0.0941657 -0.2444924 0.0887136 5.3013323 12 Te 5.0286478 0.3961535 -0.3680421 0.0972760 5.1905329 -0.0941657 -0.2444924 -0.0887136 5.3013323 13 O -2.6609772 -0.2882729 0.0880411 -0.1991396 -2.1494706 -0.1303108 -0.0044951 -0.1661425 -1.8870791 14 O -1.6195785 0.4683329 -0.0121021 0.5445979 -2.6135874 -0.4933207 0.0040718 -0.4948646 -2.2900036 15 O -2.6609772 0.2882729 0.0880411 0.1991396 -2.1494706 0.1303108 -0.0044951 0.1661425 -1.8870791 16 O -2.0174631 0.3242382 0.1091193 0.2843889 -2.3238345 -0.0699247 0.2045359 0.0007610 -2.2771227 17 O -1.6195785 -0.4683329 -0.0121021 -0.5445979 -2.6135874 0.4933207 0.0040718 0.4948646 -2.2900036 18 O -2.0651515 0.3280475 0.2003208 0.3255798 -2.4929408 -0.3716856 0.1986275 -0.3550064 -2.0974169 19 O -2.0174631 -0.3242382 0.1091193 -0.2843889 -2.3238345 0.0699247 0.2045359 -0.0007610 -2.2771227 20 O -1.4630409 0.4014166 -0.0866434 0.4281485 -1.9990837 -0.3243945 -0.0022798 -0.3019958 -2.7987643 21 O -2.7197290 -0.1340355 0.0741304 -0.1878151 -1.8428373 0.4327035 -0.0718494 0.4180754 -1.5727671 22 O -2.0651515 -0.3280475 0.2003208 -0.3255798 -2.4929408 0.3716856 0.1986275 0.3550064 -2.0974169 23 O -2.7197290 0.1340355 0.0741304 0.1878151 -1.8428373 -0.4327035 -0.0718494 -0.4180754 -1.5727671 24 O -1.4630409 -0.4014166 -0.0866434 -0.4281485 -1.9990837 0.3243945 -0.0022798 0.3019958 -2.7987643 25 O -1.4630409 -0.4014166 -0.0866434 -0.4281485 -1.9990837 0.3243945 -0.0022798 0.3019958 -2.7987643 26 O -2.7197290 0.1340355 0.0741304 0.1878151 -1.8428373 -0.4327035 -0.0718494 -0.4180754 -1.5727671 27 O -2.0651515 -0.3280475 0.2003208 -0.3255798 -2.4929408 0.3716856 0.1986275 0.3550064 -2.0974169 28 O -2.7197290 -0.1340355 0.0741304 -0.1878151 -1.8428373 0.4327035 -0.0718494 0.4180754 -1.5727671 29 O -1.4630409 0.4014166 -0.0866434 0.4281485 -1.9990837 -0.3243945 -0.0022798 -0.3019958 -2.7987643 30 O -2.0174631 -0.3242382 0.1091193 -0.2843889 -2.3238345 0.0699247 0.2045359 -0.0007610 -2.2771227 31 O -2.0651515 0.3280475 0.2003208 0.3255798 -2.4929408 -0.3716856 0.1986275 -0.3550064 -2.0974169 32 O -1.6195785 -0.4683329 -0.0121021 -0.5445979 -2.6135874 0.4933207 0.0040718 0.4948646 -2.2900036 33 O -2.0174631 0.3242382 0.1091193 0.2843889 -2.3238345 -0.0699247 0.2045359 0.0007610 -2.2771227 34 O -2.6609772 0.2882729 0.0880411 0.1991396 -2.1494706 0.1303108 -0.0044951 0.1661425 -1.8870791 35 O -1.6195785 0.4683329 -0.0121021 0.5445979 -2.6135874 -0.4933207 0.0040718 -0.4948646 -2.2900036 36 O -2.6609772 -0.2882729 0.0880411 -0.1991396 -2.1494706 -0.1303108 -0.0044951 -0.1661425 -1.8870791 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (yyy) -0.00000004 (yyy) -0.00000004 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 7 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 283, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 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 2.374 ( 0.000 0.000 0.000) 0.000 2.858 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.054 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.407 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.984 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 0.000) 0.000 5.730 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 5.990 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 6.356 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.606 ( 0.000 0.000 0.000) 0.000 6.837 ( 0.000 0.000 0.000) 0.000 7.093 ( 0.000 0.000 0.000) 0.000 7.215 ( 0.000 0.000 0.000) 0.000 7.304 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 0.000 0.000) 0.000 7.827 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 8.082 ( 0.000 0.000 0.000) 0.000 8.237 ( 0.000 0.000 0.000) 0.000 8.532 ( 0.000 0.000 0.000) 0.000 8.571 ( 0.000 0.000 0.000) 0.000 8.718 ( 0.000 0.000 0.000) 0.000 8.924 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.327 ( 0.000 0.000 0.000) 0.000 9.408 ( 0.000 0.000 0.000) 0.000 9.572 ( 0.000 0.000 0.000) 0.000 9.592 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 9.940 ( 0.000 0.000 0.000) 0.000 9.992 ( 0.000 0.000 0.000) 0.000 10.134 ( 0.000 0.000 0.000) 0.000 10.524 ( 0.000 0.000 0.000) 0.000 10.696 ( 0.000 0.000 0.000) 0.000 10.818 ( 0.000 0.000 0.000) 0.000 11.074 ( 0.000 0.000 0.000) 0.000 11.671 ( 0.000 0.000 0.000) 0.000 11.776 ( 0.000 0.000 0.000) 0.000 11.930 ( 0.000 0.000 0.000) 0.000 12.185 ( 0.000 0.000 0.000) 0.000 12.373 ( 0.000 0.000 0.000) 0.000 12.590 ( 0.000 0.000 0.000) 0.000 12.621 ( 0.000 0.000 0.000) 0.000 12.659 ( 0.000 0.000 0.000) 0.000 13.003 ( 0.000 0.000 0.000) 0.000 13.398 ( 0.000 0.000 0.000) 0.000 13.555 ( 0.000 0.000 0.000) 0.000 13.827 ( 0.000 0.000 0.000) 0.000 14.092 ( 0.000 0.000 0.000) 0.000 14.173 ( 0.000 0.000 0.000) 0.000 14.271 ( 0.000 0.000 0.000) 0.000 14.768 ( 0.000 0.000 0.000) 0.000 14.816 ( 0.000 0.000 0.000) 0.000 15.137 ( 0.000 0.000 0.000) 0.000 15.340 ( 0.000 0.000 0.000) 0.000 15.352 ( 0.000 0.000 0.000) 0.000 15.953 ( 0.000 0.000 0.000) 0.000 15.992 ( 0.000 0.000 0.000) 0.000 16.290 ( 0.000 0.000 0.000) 0.000 16.438 ( 0.000 0.000 0.000) 0.000 16.832 ( 0.000 0.000 0.000) 0.000 16.963 ( 0.000 0.000 0.000) 0.000 16.989 ( 0.000 0.000 0.000) 0.000 17.214 ( 0.000 0.000 0.000) 0.000 17.754 ( 0.000 0.000 0.000) 0.000 17.841 ( 0.000 0.000 0.000) 0.000 17.979 ( 0.000 0.000 0.000) 0.000 18.020 ( 0.000 0.000 0.000) 0.000 18.469 ( 0.000 0.000 0.000) 0.000 18.716 ( 0.000 0.000 0.000) 0.000 18.857 ( 0.000 0.000 0.000) 0.000 18.933 ( 0.000 0.000 0.000) 0.000 19.255 ( 0.000 0.000 0.000) 0.000 19.490 ( 0.000 0.000 0.000) 0.000 20.390 ( 0.000 0.000 0.000) 0.000 20.446 ( 0.000 0.000 0.000) 0.000 21.095 ( 0.000 0.000 0.000) 0.000 21.480 ( 0.000 0.000 0.000) 0.000 21.604 ( 0.000 0.000 0.000) 0.000 21.611 ( 0.000 0.000 0.000) 0.000 21.712 ( 0.000 0.000 0.000) 0.000 21.866 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 30.944 0.000 10.507) 32.679 0.668 ( 35.012 0.000 1.293) 35.036 1.253 ( 61.925 0.000 13.291) 63.336 2.544 ( 17.955 0.000 -10.003) 20.553 2.853 ( 1.300 0.000 -7.115) 7.233 3.027 ( -12.099 0.000 -1.617) 12.206 3.230 ( -13.514 0.000 11.148) 17.519 3.370 ( -0.857 0.000 4.303) 4.387 3.429 ( 6.420 0.000 -6.615) 9.218 3.912 ( -11.306 0.000 -1.831) 11.454 3.974 ( 4.172 0.000 10.923) 11.693 4.127 ( 4.802 0.000 2.654) 5.486 4.194 ( -9.503 0.000 -2.890) 9.933 4.293 ( 9.433 0.000 0.330) 9.439 4.509 ( 4.318 0.000 0.040) 4.319 4.552 ( -0.863 0.000 -4.110) 4.200 4.652 ( 0.115 0.000 -8.900) 8.901 4.760 ( -1.999 0.000 7.553) 7.813 4.905 ( -4.674 0.000 -9.144) 10.269 5.147 ( -0.677 0.000 3.139) 3.211 5.185 ( -1.293 0.000 -3.196) 3.447 5.231 ( 5.831 0.000 6.064) 8.412 5.404 ( 5.695 0.000 0.819) 5.753 5.537 ( -6.109 0.000 -14.320) 15.569 5.573 ( -2.527 0.000 -5.206) 5.787 5.708 ( -1.076 0.000 -13.031) 13.076 5.765 ( 5.303 0.000 2.847) 6.019 5.964 ( 0.415 0.000 1.366) 1.428 5.988 ( 5.994 0.000 -11.421) 12.898 6.002 ( 9.237 0.000 14.137) 16.887 6.145 ( 3.477 0.000 11.951) 12.447 6.306 ( -3.876 0.000 -2.185) 4.449 6.401 ( -0.512 0.000 -1.616) 1.695 6.572 ( -1.881 0.000 -2.415) 3.062 6.724 ( 4.509 0.000 -5.351) 6.998 6.967 ( -5.085 0.000 3.009) 5.908 7.164 ( 3.782 0.000 -1.950) 4.255 7.204 ( -1.051 0.000 -1.281) 1.657 7.344 ( 2.821 0.000 3.937) 4.843 7.427 ( 3.952 0.000 -1.769) 4.330 7.818 ( -1.138 0.000 -8.104) 8.184 7.912 ( 2.651 0.000 -1.110) 2.874 8.073 ( -1.088 0.000 -0.443) 1.174 8.284 ( -12.823 0.000 10.749) 16.732 8.444 ( 0.056 0.000 -5.780) 5.781 8.695 ( -2.154 0.000 -2.914) 3.624 8.768 ( 6.399 0.000 8.499) 10.639 8.829 ( -8.818 0.000 3.776) 9.592 8.976 ( 1.086 0.000 -2.725) 2.934 9.209 ( 0.553 0.000 -0.105) 0.563 9.309 ( 0.469 0.000 -2.708) 2.748 9.336 ( -5.329 0.000 -3.723) 6.501 9.479 ( -7.639 0.000 5.314) 9.306 9.642 ( 1.196 0.000 -1.874) 2.223 9.762 ( 1.144 0.000 4.530) 4.673 9.921 ( -1.591 0.000 -4.225) 4.514 9.943 ( -4.427 0.000 -1.393) 4.640 10.167 ( 3.240 0.000 -0.690) 3.313 10.494 ( -3.847 0.000 -0.157) 3.850 10.838 ( 1.496 0.000 -0.829) 1.710 11.093 ( 3.060 0.000 -2.486) 3.942 11.385 ( 13.771 0.000 -38.526) 40.913 11.754 ( -1.674 0.000 -1.650) 2.350 11.942 ( 0.735 0.000 1.225) 1.429 12.178 ( -1.797 0.000 4.159) 4.531 12.287 ( -6.071 0.000 -3.747) 7.135 12.412 ( -12.389 0.000 50.646) 52.139 12.586 ( -2.540 0.000 -3.839) 4.603 12.631 ( -5.261 0.000 10.287) 11.554 12.699 ( 3.421 0.000 6.327) 7.193 13.054 ( 3.606 0.000 4.591) 5.838 13.373 ( -1.200 0.000 -4.561) 4.716 13.590 ( 2.250 0.000 -7.263) 7.603 13.766 ( -5.121 0.000 -1.139) 5.246 14.089 ( -7.403 0.000 -2.088) 7.692 14.151 ( -8.940 0.000 4.362) 9.947 14.789 ( -0.349 0.000 -5.461) 5.472 14.977 ( 15.804 0.000 -0.375) 15.809 15.200 ( 5.223 0.000 0.614) 5.259 15.344 ( -0.256 0.000 0.443) 0.512 15.379 ( 4.459 0.000 -0.095) 4.460 15.975 ( -13.688 0.000 51.993) 53.765 15.976 ( 2.436 0.000 -1.129) 2.685 15.992 ( -1.601 0.000 5.575) 5.800 16.362 ( -2.134 0.000 -2.536) 3.314 16.416 ( -2.168 0.000 -1.225) 2.490 16.731 ( -9.007 0.000 -3.513) 9.668 16.937 ( -5.972 0.000 0.696) 6.013 17.166 ( 0.666 0.000 -5.503) 5.543 17.337 ( 11.985 0.000 -32.759) 34.883 17.744 ( -10.346 0.000 -0.934) 10.388 17.767 ( 2.126 0.000 -3.232) 3.869 17.906 ( -8.159 0.000 0.689) 8.188 18.474 ( 0.299 0.000 8.208) 8.214 18.580 ( -10.069 0.000 45.303) 46.408 18.799 ( 5.015 0.000 -3.134) 5.914 18.894 ( 4.786 0.000 -2.719) 5.504 19.175 ( -3.721 0.000 -7.422) 8.302 19.488 ( 0.564 0.000 -2.964) 3.017 19.517 ( 8.087 0.000 -11.700) 14.223 20.386 ( -0.496 0.000 1.007) 1.123 20.457 ( 1.752 0.000 -2.395) 2.967 21.219 ( 4.120 0.000 -9.947) 10.766 21.512 ( 1.697 0.000 -0.273) 1.719 21.600 ( -0.210 0.000 -0.835) 0.861 21.770 ( 6.488 0.000 0.516) 6.509 21.879 ( 0.798 0.000 2.987) 3.092 22.590 ( 6.257 0.000 -23.592) 24.408 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 30.224 0.000 10.472) 31.986 1.318 ( 33.559 0.000 0.697) 33.566 2.400 ( 49.669 0.000 12.060) 51.112 2.661 ( -4.772 0.000 -15.041) 15.779 2.854 ( 3.143 0.000 -7.658) 8.278 2.932 ( -16.815 0.000 2.701) 17.031 2.975 ( 7.685 0.000 -6.095) 9.808 3.365 ( -0.455 0.000 6.727) 6.742 3.591 ( 8.278 0.000 5.772) 10.092 3.630 ( -12.293 0.000 2.009) 12.456 3.950 ( -9.786 0.000 1.728) 9.937 4.172 ( 7.771 0.000 3.873) 8.682 4.280 ( 8.327 0.000 5.830) 10.165 4.359 ( -11.021 0.000 -8.927) 14.183 4.444 ( 4.433 0.000 1.987) 4.858 4.560 ( 0.862 0.000 -1.443) 1.680 4.719 ( -2.733 0.000 -1.158) 2.968 4.733 ( -9.629 0.000 -10.433) 14.197 4.811 ( 9.368 0.000 -5.639) 10.934 5.088 ( -0.242 0.000 9.965) 9.968 5.243 ( -17.194 0.000 -8.635) 19.240 5.250 ( 4.907 0.000 -1.420) 5.109 5.329 ( 1.347 0.000 2.807) 3.114 5.506 ( -0.235 0.000 -4.415) 4.421 5.582 ( 8.567 0.000 2.999) 9.076 5.655 ( 0.247 0.000 -4.432) 4.439 5.863 ( 2.923 0.000 1.577) 3.322 5.980 ( 1.058 0.000 -1.891) 2.167 6.087 ( 8.619 0.000 -10.319) 13.445 6.171 ( 0.184 0.000 3.417) 3.422 6.232 ( -3.091 0.000 4.841) 5.744 6.248 ( 2.178 0.000 7.322) 7.639 6.421 ( 5.844 0.000 0.905) 5.914 6.529 ( -1.979 0.000 -0.093) 1.981 6.804 ( 5.200 0.000 2.844) 5.927 6.908 ( -2.191 0.000 0.333) 2.217 7.151 ( -3.715 0.000 -3.447) 5.068 7.186 ( -0.353 0.000 -2.381) 2.407 7.425 ( 3.697 0.000 2.709) 4.583 7.517 ( 5.049 0.000 1.075) 5.162 7.770 ( 1.320 0.000 -9.671) 9.761 7.938 ( -0.390 0.000 -1.021) 1.093 8.026 ( -3.348 0.000 -1.835) 3.818 8.143 ( -5.500 0.000 5.090) 7.494 8.454 ( 2.936 0.000 0.273) 2.948 8.584 ( -7.910 0.000 -0.502) 7.926 8.715 ( -4.507 0.000 2.942) 5.382 8.812 ( -4.019 0.000 3.658) 5.435 8.974 ( -0.967 0.000 -0.934) 1.344 9.153 ( -5.261 0.000 0.371) 5.274 9.208 ( -7.174 0.000 -2.285) 7.529 9.384 ( 8.259 0.000 -2.165) 8.538 9.420 ( -0.293 0.000 3.518) 3.530 9.642 ( -1.801 0.000 2.742) 3.280 9.771 ( -2.258 0.000 4.374) 4.923 9.826 ( -5.453 0.000 -5.769) 7.939 9.842 ( -4.545 0.000 -1.685) 4.847 10.228 ( 3.205 0.000 -0.684) 3.277 10.420 ( -3.130 0.000 -0.722) 3.213 10.838 ( -1.294 0.000 -0.963) 1.613 11.172 ( 6.184 0.000 -2.187) 6.560 11.497 ( 11.773 0.000 -16.147) 19.984 11.711 ( -1.661 0.000 -2.303) 2.839 11.942 ( -3.319 0.000 3.915) 5.133 12.152 ( -6.300 0.000 -2.025) 6.617 12.176 ( 0.413 0.000 4.357) 4.377 12.413 ( -6.812 0.000 24.031) 24.978 12.487 ( -5.548 0.000 -2.540) 6.102 12.574 ( -2.083 0.000 -3.137) 3.766 12.777 ( 2.118 0.000 1.787) 2.771 13.155 ( 3.922 0.000 5.644) 6.873 13.326 ( -0.995 0.000 -4.872) 4.973 13.602 ( 1.860 0.000 -3.357) 3.838 13.691 ( -1.468 0.000 0.255) 1.490 13.919 ( -8.781 0.000 -1.906) 8.985 14.042 ( -5.115 0.000 4.329) 6.701 14.745 ( -1.542 0.000 -4.265) 4.536 15.192 ( 4.782 0.000 -4.556) 6.605 15.284 ( 2.829 0.000 1.234) 3.087 15.439 ( 12.492 0.000 3.427) 12.954 15.507 ( 8.303 0.000 0.018) 8.303 15.966 ( -8.172 0.000 30.727) 31.795 15.983 ( 0.097 0.000 -3.197) 3.199 16.020 ( 2.414 0.000 -1.493) 2.838 16.291 ( -2.572 0.000 -8.223) 8.616 16.339 ( -5.471 0.000 -2.322) 5.943 16.524 ( -10.302 0.000 -0.080) 10.302 16.764 ( -12.084 0.000 0.663) 12.102 17.189 ( 2.480 0.000 0.083) 2.482 17.372 ( 3.867 0.000 -14.491) 14.998 17.535 ( -8.663 0.000 -0.072) 8.663 17.793 ( -4.852 0.000 1.843) 5.191 17.798 ( 2.832 0.000 -4.372) 5.209 18.554 ( 2.617 0.000 11.367) 11.664 18.587 ( -7.183 0.000 24.436) 25.470 18.828 ( 2.463 0.000 -12.363) 12.606 18.973 ( 2.823 0.000 1.891) 3.397 19.102 ( -0.274 0.000 -5.737) 5.743 19.482 ( 0.405 0.000 -3.240) 3.265 19.596 ( 3.798 0.000 -2.979) 4.827 20.388 ( 0.086 0.000 1.465) 1.467 20.483 ( 2.108 0.000 -2.906) 3.590 21.257 ( 2.739 0.000 -2.011) 3.398 21.510 ( -1.131 0.000 -0.785) 1.377 21.589 ( -0.377 0.000 -1.242) 1.298 21.882 ( 3.216 0.000 -2.221) 3.908 21.973 ( 7.310 0.000 6.848) 10.016 22.597 ( 2.589 0.000 -8.859) 9.230 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 22.889 0.000 7.853) 24.199 1.924 ( 30.581 0.000 -0.119) 30.582 2.431 ( -12.678 0.000 -5.092) 13.662 2.455 ( -25.768 0.000 1.584) 25.816 2.792 ( 1.357 0.000 -3.703) 3.944 2.906 ( -5.050 0.000 -11.039) 12.139 3.346 ( -2.835 0.000 2.833) 4.008 3.493 ( 41.034 0.000 11.429) 42.596 3.730 ( 2.927 0.000 5.296) 6.052 3.731 ( 14.178 0.000 8.110) 16.333 3.822 ( -2.837 0.000 -0.063) 2.838 4.091 ( -12.847 0.000 -7.504) 14.878 4.242 ( -13.573 0.000 -9.821) 16.753 4.409 ( -3.299 0.000 -3.282) 4.654 4.473 ( 3.267 0.000 1.060) 3.435 4.497 ( 0.541 0.000 0.912) 1.060 4.590 ( 1.899 0.000 9.085) 9.281 4.694 ( 2.233 0.000 -3.566) 4.207 4.804 ( -4.467 0.000 1.088) 4.598 4.886 ( -14.001 0.000 -9.740) 17.055 5.232 ( 5.781 0.000 3.377) 6.695 5.324 ( -1.024 0.000 0.017) 1.025 5.337 ( 2.571 0.000 1.700) 3.082 5.477 ( 0.428 0.000 -3.112) 3.141 5.672 ( 1.277 0.000 0.341) 1.321 5.739 ( 5.081 0.000 0.236) 5.086 5.888 ( -0.187 0.000 1.180) 1.194 5.987 ( 0.668 0.000 -1.730) 1.854 6.139 ( -0.089 0.000 -2.498) 2.500 6.167 ( 3.105 0.000 -3.684) 4.818 6.179 ( -4.416 0.000 2.767) 5.211 6.293 ( 0.314 0.000 2.452) 2.472 6.500 ( -1.045 0.000 0.571) 1.191 6.604 ( 7.903 0.000 4.989) 9.346 6.878 ( -0.594 0.000 -0.295) 0.664 6.940 ( 6.106 0.000 2.302) 6.525 7.036 ( -5.245 0.000 -3.931) 6.554 7.134 ( -3.565 0.000 -1.496) 3.866 7.497 ( 2.557 0.000 1.043) 2.761 7.591 ( 1.589 0.000 0.887) 1.820 7.774 ( 1.697 0.000 -3.740) 4.106 7.905 ( -1.435 0.000 -0.358) 1.479 7.955 ( -2.297 0.000 -1.307) 2.643 8.107 ( -0.927 0.000 1.503) 1.766 8.466 ( -3.807 0.000 1.155) 3.979 8.557 ( 6.807 0.000 1.598) 6.992 8.665 ( -1.568 0.000 0.177) 1.578 8.706 ( -7.089 0.000 -0.455) 7.104 8.947 ( -1.152 0.000 0.374) 1.211 9.065 ( -4.153 0.000 -0.511) 4.184 9.085 ( -3.174 0.000 1.021) 3.335 9.465 ( 2.893 0.000 0.086) 2.894 9.514 ( 4.437 0.000 -0.724) 4.496 9.604 ( -2.195 0.000 0.937) 2.387 9.682 ( -5.049 0.000 -1.413) 5.243 9.761 ( -1.001 0.000 0.439) 1.093 9.788 ( -0.912 0.000 -0.096) 0.917 10.271 ( 1.337 0.000 -0.284) 1.367 10.384 ( -0.525 0.000 -0.411) 0.666 10.795 ( -1.875 0.000 -0.450) 1.928 11.270 ( 3.686 0.000 -0.524) 3.724 11.662 ( 11.826 0.000 -9.004) 14.863 11.674 ( -1.085 0.000 -1.449) 1.810 11.836 ( -9.989 0.000 6.764) 12.064 12.057 ( -2.716 0.000 -0.154) 2.721 12.242 ( 4.342 0.000 0.012) 4.342 12.374 ( -5.374 0.000 8.888) 10.386 12.389 ( -2.921 0.000 -1.167) 3.145 12.539 ( -0.251 0.000 -2.287) 2.301 12.801 ( 0.462 0.000 -0.023) 0.462 13.233 ( 1.764 0.000 2.545) 3.096 13.297 ( -0.296 0.000 -2.028) 2.049 13.634 ( 2.698 0.000 -2.058) 3.394 13.699 ( 0.952 0.000 0.337) 1.010 13.771 ( -5.646 0.000 0.006) 5.646 13.991 ( -1.960 0.000 2.044) 2.832 14.706 ( -0.763 0.000 -1.808) 1.962 15.199 ( -0.143 0.000 -1.678) 1.684 15.321 ( 0.833 0.000 0.470) 0.956 15.639 ( 4.443 0.000 0.024) 4.443 15.750 ( 16.304 0.000 2.492) 16.493 15.963 ( -2.759 0.000 11.422) 11.750 15.972 ( -0.315 0.000 -0.027) 0.317 16.014 ( -4.798 0.000 -1.714) 5.095 16.192 ( -6.633 0.000 -1.687) 6.844 16.202 ( -1.851 0.000 -7.490) 7.715 16.390 ( -3.941 0.000 1.722) 4.300 16.576 ( -5.810 0.000 0.447) 5.828 17.237 ( 1.703 0.000 1.200) 2.083 17.359 ( 0.347 0.000 -5.440) 5.451 17.441 ( -2.114 0.000 0.373) 2.146 17.737 ( -1.758 0.000 0.704) 1.894 17.823 ( 1.345 0.000 -2.090) 2.485 18.558 ( -3.390 0.000 8.352) 9.014 18.661 ( 2.309 0.000 11.519) 11.749 18.784 ( -0.292 0.000 -12.537) 12.541 19.011 ( 0.610 0.000 1.104) 1.261 19.096 ( 0.724 0.000 -1.811) 1.950 19.476 ( 0.138 0.000 -1.306) 1.313 19.631 ( 1.036 0.000 -0.623) 1.209 20.398 ( 0.207 0.000 0.701) 0.731 20.502 ( 0.905 0.000 -1.258) 1.550 21.291 ( 1.129 0.000 -0.085) 1.132 21.485 ( -0.800 0.000 -0.354) 0.875 21.577 ( -0.233 0.000 -0.659) 0.699 21.912 ( 0.873 0.000 -0.335) 0.935 22.110 ( 3.604 0.000 2.346) 4.301 22.602 ( 0.783 0.000 -2.488) 2.608 ======================= Grid point 7 (5/90) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 0.000 32.597 0.000) 32.597 0.800 ( 0.000 38.446 0.000) 38.446 1.445 ( 0.000 68.089 0.000) 68.089 2.456 ( 0.000 7.355 0.000) 7.355 3.000 ( 0.000 11.630 0.000) 11.630 3.081 ( 0.000 -10.221 0.000) 10.221 3.248 ( 0.000 3.050 0.000) 3.050 3.416 ( 0.000 5.573 0.000) 5.573 3.485 ( 0.000 3.494 0.000) 3.494 3.837 ( 0.000 -4.514 0.000) 4.514 4.031 ( 0.000 4.655 0.000) 4.655 4.039 ( 0.000 -1.376 0.000) 1.376 4.291 ( 0.000 0.673 0.000) 0.673 4.312 ( 0.000 -7.545 0.000) 7.545 4.396 ( 0.000 2.302 0.000) 2.302 4.522 ( 0.000 1.445 0.000) 1.445 4.751 ( 0.000 -2.877 0.000) 2.877 4.758 ( 0.000 -0.936 0.000) 0.936 4.942 ( 0.000 -13.827 0.000) 13.827 4.969 ( 0.000 -2.659 0.000) 2.659 5.205 ( 0.000 -2.041 0.000) 2.041 5.261 ( 0.000 -6.956 0.000) 6.956 5.373 ( 0.000 7.930 0.000) 7.930 5.525 ( 0.000 3.568 0.000) 3.568 5.646 ( 0.000 -6.255 0.000) 6.255 5.741 ( 0.000 0.899 0.000) 0.899 5.837 ( 0.000 -0.847 0.000) 0.847 5.903 ( 0.000 8.964 0.000) 8.964 5.937 ( 0.000 -1.687 0.000) 1.687 6.011 ( 0.000 6.102 0.000) 6.102 6.235 ( 0.000 4.483 0.000) 4.483 6.383 ( 0.000 -2.089 0.000) 2.089 6.485 ( 0.000 8.489 0.000) 8.489 6.504 ( 0.000 0.116 0.000) 0.116 6.600 ( 0.000 0.276 0.000) 0.276 6.725 ( 0.000 -9.095 0.000) 9.095 7.052 ( 0.000 -3.294 0.000) 3.294 7.115 ( 0.000 -12.189 0.000) 12.189 7.278 ( 0.000 -2.506 0.000) 2.506 7.323 ( 0.000 -2.728 0.000) 2.728 7.739 ( 0.000 2.461 0.000) 2.461 8.094 ( 0.000 10.349 0.000) 10.349 8.242 ( 0.000 -4.649 0.000) 4.649 8.292 ( 0.000 5.016 0.000) 5.016 8.517 ( 0.000 -1.802 0.000) 1.802 8.545 ( 0.000 -2.042 0.000) 2.042 8.687 ( 0.000 -4.689 0.000) 4.689 8.930 ( 0.000 -2.454 0.000) 2.454 8.933 ( 0.000 0.663 0.000) 0.663 9.242 ( 0.000 0.911 0.000) 0.911 9.399 ( 0.000 5.059 0.000) 5.059 9.522 ( 0.000 -0.636 0.000) 0.636 9.558 ( 0.000 -3.074 0.000) 3.074 9.729 ( 0.000 0.577 0.000) 0.577 9.822 ( 0.000 13.401 0.000) 13.401 9.897 ( 0.000 -3.627 0.000) 3.627 9.963 ( 0.000 -1.740 0.000) 1.740 10.171 ( 0.000 4.271 0.000) 4.271 10.538 ( 0.000 1.227 0.000) 1.227 10.725 ( 0.000 2.502 0.000) 2.502 10.829 ( 0.000 0.492 0.000) 0.492 11.106 ( 0.000 2.777 0.000) 2.777 11.729 ( 0.000 5.217 0.000) 5.217 11.819 ( 0.000 3.491 0.000) 3.491 12.005 ( 0.000 5.856 0.000) 5.856 12.236 ( 0.000 6.307 0.000) 6.307 12.494 ( 0.000 4.502 0.000) 4.502 12.567 ( 0.000 -0.962 0.000) 0.962 12.635 ( 0.000 0.125 0.000) 0.125 13.075 ( 0.000 6.697 0.000) 6.697 13.386 ( 0.000 -1.117 0.000) 1.117 13.570 ( 0.000 1.414 0.000) 1.414 13.769 ( 0.000 -2.088 0.000) 2.088 14.005 ( 0.000 -5.057 0.000) 5.057 14.139 ( 0.000 -3.306 0.000) 3.306 14.421 ( 0.000 10.765 0.000) 10.765 14.491 ( 0.000 1.302 0.000) 1.302 14.793 ( 0.000 -1.868 0.000) 1.868 15.123 ( 0.000 -1.607 0.000) 1.607 15.339 ( 0.000 -0.201 0.000) 0.201 15.339 ( 0.000 -0.629 0.000) 0.629 15.784 ( 0.000 -11.219 0.000) 11.219 16.007 ( 0.000 -1.375 0.000) 1.375 16.182 ( 0.000 -1.889 0.000) 1.889 16.294 ( 0.000 0.230 0.000) 0.230 16.426 ( 0.000 -1.086 0.000) 1.086 16.843 ( 0.000 0.732 0.000) 0.732 16.916 ( 0.000 -4.644 0.000) 4.644 17.259 ( 0.000 2.430 0.000) 2.430 17.353 ( 0.000 -0.214 0.000) 0.214 17.763 ( 0.000 0.708 0.000) 0.708 17.795 ( 0.000 -11.261 0.000) 11.261 18.064 ( 0.000 2.502 0.000) 2.502 18.097 ( 0.000 2.115 0.000) 2.115 18.585 ( 0.000 -8.519 0.000) 8.519 18.850 ( 0.000 0.897 0.000) 0.897 19.075 ( 0.000 4.371 0.000) 4.371 19.103 ( 0.000 10.151 0.000) 10.151 19.309 ( 0.000 4.998 0.000) 4.998 20.385 ( 0.000 -0.497 0.000) 0.497 20.443 ( 0.000 -0.290 0.000) 0.290 20.611 ( 0.000 -2.913 0.000) 2.913 21.153 ( 0.000 5.174 0.000) 5.174 21.449 ( 0.000 -2.803 0.000) 2.803 21.590 ( 0.000 -1.812 0.000) 1.812 21.621 ( 0.000 1.378 0.000) 1.378 21.718 ( 0.000 0.482 0.000) 0.482 22.409 ( 0.000 -5.427 0.000) 5.427 ======================= Grid point 8 (6/90) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 19.866 28.290 7.476) 35.368 1.083 ( 26.283 25.979 5.367) 37.343 1.797 ( 34.859 47.784 6.110) 59.463 2.621 ( 16.998 7.021 -10.286) 21.072 2.886 ( -3.453 -1.342 -8.972) 9.707 3.087 ( -2.655 9.810 4.095) 10.956 3.264 ( -13.017 3.517 7.571) 15.464 3.380 ( 6.581 1.393 -0.057) 6.727 3.471 ( 1.527 4.840 -3.768) 6.321 3.864 ( -4.889 -2.838 1.377) 5.818 3.979 ( -2.142 -0.293 3.362) 3.998 4.102 ( 4.206 -2.303 2.949) 5.630 4.110 ( -10.075 -5.455 -1.785) 11.595 4.413 ( 4.870 6.365 0.124) 8.015 4.451 ( 5.309 -3.346 0.990) 6.353 4.528 ( 1.234 -1.543 -1.414) 2.429 4.690 ( -2.631 1.467 -5.220) 6.027 4.757 ( -1.525 -1.642 -0.865) 2.402 4.857 ( -1.771 -5.283 0.626) 5.607 5.022 ( -1.151 -9.619 1.257) 9.769 5.172 ( -0.234 1.769 -3.333) 3.781 5.277 ( 2.447 -4.958 -4.937) 7.413 5.408 ( 0.749 6.053 8.156) 10.184 5.566 ( 0.445 -0.342 -4.407) 4.442 5.663 ( 1.606 4.224 -4.963) 6.712 5.686 ( -2.216 0.926 -3.121) 3.938 5.831 ( 2.544 -3.216 -3.030) 5.098 5.883 ( -3.504 4.190 1.128) 5.578 5.989 ( 4.178 -1.934 -1.669) 4.897 6.050 ( 4.929 -0.004 6.720) 8.334 6.094 ( -1.969 4.668 -0.991) 5.162 6.430 ( -1.449 6.028 -2.409) 6.651 6.450 ( -2.860 2.707 0.148) 3.941 6.590 ( 0.421 3.173 1.760) 3.653 6.623 ( 6.296 -6.627 1.045) 9.200 6.856 ( 4.889 -9.890 5.081) 12.146 7.040 ( 0.189 -4.707 0.727) 4.766 7.125 ( 0.595 -8.860 -2.602) 9.253 7.322 ( 3.929 -2.215 2.712) 5.263 7.392 ( 6.640 -3.361 -2.966) 8.011 7.758 ( 2.729 2.926 -3.224) 5.139 8.041 ( -7.126 -0.281 -4.743) 8.565 8.082 ( -1.248 8.019 -1.954) 8.348 8.377 ( -4.016 4.317 3.637) 6.928 8.408 ( -2.213 -0.207 -2.521) 3.361 8.613 ( 0.066 -6.307 5.090) 8.105 8.794 ( 6.013 -0.608 1.089) 6.141 8.858 ( -4.241 -2.225 0.314) 4.800 8.899 ( -5.591 -0.819 3.937) 6.887 9.228 ( -0.467 0.058 -0.463) 0.660 9.337 ( -5.530 2.784 -3.643) 7.183 9.422 ( -7.431 2.909 2.114) 8.256 9.580 ( -1.612 1.949 0.504) 2.579 9.637 ( 0.120 4.085 -1.950) 4.528 9.831 ( -1.874 3.934 1.530) 4.619 9.874 ( -2.423 -2.920 -1.970) 4.275 9.932 ( -2.040 2.516 0.018) 3.239 10.198 ( 2.675 3.365 -0.869) 4.386 10.509 ( -4.127 1.445 0.204) 4.377 10.815 ( 5.080 -2.258 -1.519) 5.763 11.070 ( 9.265 -2.695 -4.425) 10.615 11.227 ( 18.176 -4.389 -4.759) 19.295 11.796 ( -1.911 3.170 -1.713) 4.079 11.825 ( 5.185 -3.111 19.214) 20.143 12.006 ( -0.514 5.010 1.748) 5.331 12.228 ( -1.404 5.785 1.260) 6.085 12.365 ( -5.834 3.168 -4.141) 7.824 12.609 ( -1.652 0.404 -2.933) 3.391 12.695 ( 3.997 0.410 6.754) 7.859 13.028 ( -5.257 8.016 -0.511) 9.600 13.360 ( -2.250 0.608 -1.426) 2.732 13.542 ( -14.855 13.703 8.929) 22.094 13.597 ( -2.923 2.071 -14.410) 14.848 13.752 ( -5.112 -0.605 -0.558) 5.178 14.091 ( -6.866 -0.067 -1.969) 7.144 14.262 ( -12.071 10.250 3.668) 16.255 14.732 ( 6.978 -4.216 -7.532) 11.100 14.837 ( 10.366 -6.680 6.930) 14.145 15.163 ( 3.590 -3.205 2.296) 5.332 15.339 ( 0.983 -0.377 -0.800) 1.323 15.405 ( 5.662 1.984 2.467) 6.487 15.828 ( 2.931 -9.726 1.465) 10.263 16.009 ( 0.763 -1.430 -2.340) 2.847 16.128 ( -10.111 5.970 25.862) 28.403 16.318 ( 1.824 -2.449 -6.862) 7.511 16.403 ( -1.935 -1.680 -1.892) 3.185 16.701 ( -10.410 -1.997 1.446) 10.698 16.951 ( -2.585 -0.349 -2.298) 3.476 17.227 ( -4.685 -0.196 -8.334) 9.563 17.304 ( 4.609 1.907 -6.053) 7.843 17.660 ( -10.185 -7.481 -2.272) 12.839 17.770 ( 1.657 0.246 -2.930) 3.375 17.934 ( -6.711 2.857 -0.401) 7.304 18.262 ( 4.359 -5.100 15.000) 16.432 18.653 ( 5.532 -10.360 -1.149) 11.800 18.806 ( -8.033 3.552 12.030) 14.895 18.922 ( -2.262 9.470 2.312) 10.007 19.254 ( 5.713 5.083 -9.481) 12.181 19.392 ( 8.079 3.289 -3.436) 9.375 20.106 ( -25.627 21.734 -0.401) 33.605 20.380 ( -0.752 -0.525 0.834) 1.240 20.455 ( 1.571 -0.399 -2.768) 3.207 21.224 ( 4.142 0.964 -6.330) 7.626 21.499 ( 2.957 -1.302 0.519) 3.273 21.619 ( 0.113 1.562 -0.548) 1.659 21.743 ( 5.977 -8.073 2.869) 10.446 21.757 ( 5.509 -1.176 -0.417) 5.648 22.476 ( 6.344 -7.721 -8.615) 13.193 ======================= Grid point 9 (7/90) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 25.458 18.214 8.105) 32.335 1.593 ( 26.176 23.223 2.607) 35.090 2.538 ( 22.443 11.204 5.313) 25.641 2.748 ( 8.455 8.753 -10.211) 15.886 2.961 ( 7.557 7.716 0.710) 10.823 2.991 ( -9.876 9.555 -5.699) 14.877 3.097 ( 5.111 9.819 -4.771) 12.054 3.426 ( 1.854 6.549 7.281) 9.966 3.534 ( -5.521 -1.671 -1.856) 6.060 3.704 ( 1.752 3.406 5.255) 6.503 3.894 ( -9.114 -3.490 2.975) 10.203 4.101 ( 6.482 -5.824 5.359) 10.230 4.198 ( 4.476 -5.270 0.880) 6.970 4.425 ( -7.927 3.736 -5.719) 10.464 4.489 ( 1.674 1.217 -4.249) 4.727 4.570 ( -0.040 -2.914 -2.176) 3.637 4.612 ( 2.284 0.200 -0.063) 2.294 4.816 ( 2.360 1.885 -2.272) 3.779 4.830 ( -2.758 0.851 -1.865) 3.437 4.938 ( -3.750 -10.091 2.660) 11.089 5.204 ( -6.956 -4.844 -1.243) 8.567 5.223 ( 4.519 -0.203 -1.791) 4.865 5.419 ( -2.303 7.472 0.346) 7.826 5.588 ( 4.672 2.506 -1.680) 5.561 5.632 ( -0.818 -1.195 0.186) 1.461 5.662 ( -0.107 6.840 -0.437) 6.855 5.805 ( 0.992 -4.961 -10.061) 11.262 5.964 ( 3.531 -2.027 8.728) 9.631 6.041 ( 0.891 -6.980 2.405) 7.436 6.124 ( 5.265 3.123 -6.803) 9.152 6.147 ( 1.890 -3.798 6.193) 7.507 6.366 ( -3.559 7.886 -3.434) 9.309 6.411 ( -0.579 -0.627 0.550) 1.016 6.638 ( 2.484 0.356 7.410) 7.823 6.746 ( 6.605 -0.189 0.022) 6.608 6.884 ( -1.358 -2.899 1.270) 3.444 7.057 ( 0.510 -6.014 0.139) 6.037 7.104 ( -1.263 -5.698 -4.703) 7.496 7.435 ( 6.413 -1.034 1.825) 6.748 7.511 ( 6.425 -1.269 0.134) 6.551 7.799 ( 3.244 4.863 -4.979) 7.679 7.938 ( -3.242 -1.615 -0.424) 3.647 8.027 ( -3.216 3.738 -3.487) 6.039 8.260 ( -6.192 6.909 2.437) 9.592 8.433 ( 3.288 -1.137 -0.516) 3.517 8.610 ( -1.925 -0.649 -1.479) 2.512 8.667 ( -9.094 -0.983 5.051) 10.448 8.796 ( -6.267 -3.116 1.137) 7.090 8.948 ( 2.217 -1.255 3.341) 4.201 9.183 ( -5.816 -1.833 -2.696) 6.668 9.218 ( -2.296 1.745 -3.806) 4.775 9.293 ( -6.546 1.969 5.099) 8.528 9.593 ( -0.100 0.204 2.108) 2.120 9.648 ( 1.377 4.165 -1.130) 4.530 9.771 ( -2.687 -2.595 -4.064) 5.520 9.802 ( -3.669 0.899 0.855) 3.873 9.887 ( -2.714 7.267 0.336) 7.764 10.248 ( 2.658 2.320 -0.543) 3.569 10.448 ( -1.955 2.330 0.233) 3.050 10.863 ( 0.495 1.625 -1.004) 1.973 11.180 ( 6.789 0.778 -2.603) 7.313 11.486 ( 13.202 -1.261 -11.208) 17.364 11.735 ( -3.370 1.657 -2.340) 4.425 11.973 ( -4.915 0.333 7.647) 9.096 12.036 ( 4.826 -6.207 11.492) 13.925 12.183 ( -2.475 2.011 0.833) 3.296 12.307 ( 0.094 5.869 2.469) 6.368 12.540 ( -3.928 -0.604 -3.616) 5.373 12.687 ( -5.854 5.264 0.403) 7.883 12.950 ( -1.120 10.165 -0.262) 10.230 13.300 ( -3.097 5.677 2.448) 6.915 13.367 ( -2.768 7.681 -3.028) 8.708 13.595 ( 1.529 -0.540 -2.149) 2.692 13.694 ( -0.861 0.585 0.311) 1.086 13.928 ( -8.388 1.234 -1.117) 8.551 14.097 ( -7.615 5.287 3.999) 10.096 14.718 ( -0.889 -1.581 -4.781) 5.113 15.051 ( 5.953 -10.790 -2.284) 12.533 15.286 ( 5.889 -1.103 3.876) 7.136 15.395 ( 6.918 -2.491 2.167) 7.666 15.559 ( 8.924 3.612 2.446) 9.933 15.883 ( 2.387 -7.262 -0.404) 7.654 16.014 ( 1.018 -1.751 -2.751) 3.416 16.062 ( -8.535 6.316 19.604) 22.295 16.276 ( -2.372 -1.321 -8.919) 9.323 16.342 ( -3.132 -0.212 -2.430) 3.969 16.510 ( -9.643 -1.677 1.787) 9.949 16.771 ( -13.212 0.998 -0.531) 13.261 17.179 ( 0.643 -3.136 -2.726) 4.205 17.347 ( 2.584 -0.351 -5.286) 5.894 17.489 ( -5.498 -2.991 -2.508) 6.742 17.794 ( 2.375 -0.325 -3.946) 4.617 17.823 ( -4.921 2.367 1.168) 5.584 18.385 ( 1.196 -7.400 15.117) 16.873 18.701 ( -2.835 -1.290 8.635) 9.180 18.777 ( 2.812 -4.272 -1.237) 5.262 18.914 ( 0.080 5.577 -3.650) 6.665 19.288 ( 2.094 9.291 -4.355) 10.472 19.490 ( 3.549 3.089 -2.470) 5.314 19.807 ( -7.796 14.707 -1.525) 16.715 20.379 ( 0.006 -0.752 1.713) 1.871 20.473 ( 1.617 -0.983 -2.987) 3.536 21.268 ( 2.705 1.015 -1.591) 3.299 21.513 ( -0.933 0.191 -0.562) 1.106 21.610 ( -0.505 1.812 -1.006) 2.133 21.831 ( 2.855 -5.111 0.986) 5.937 21.909 ( 8.731 -4.602 2.742) 10.243 22.531 ( 3.339 -5.746 -5.590) 8.684 ======================= Grid point 10 (8/90) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 23.818 12.839 8.529) 28.371 2.063 ( 21.638 15.669 -1.712) 26.770 2.488 ( -18.659 6.051 -1.357) 19.662 2.597 ( -10.049 11.494 0.089) 15.268 2.867 ( 0.377 6.336 -6.465) 9.060 2.964 ( -9.538 5.968 -7.077) 13.292 3.390 ( -1.403 3.903 0.291) 4.158 3.575 ( 21.856 2.842 8.125) 23.490 3.665 ( 14.768 2.150 1.870) 15.041 3.805 ( 6.425 3.294 6.351) 9.616 3.868 ( 5.100 6.807 6.108) 10.471 4.175 ( -10.466 3.410 -7.968) 13.589 4.262 ( -0.179 -2.229 -5.045) 5.518 4.280 ( 5.589 -2.931 0.726) 6.352 4.447 ( -6.393 -1.755 3.803) 7.642 4.474 ( -3.841 -1.580 -1.780) 4.518 4.581 ( -11.244 -7.455 -6.759) 15.089 4.714 ( -5.297 0.022 -1.287) 5.452 4.775 ( 4.023 6.623 3.708) 8.591 4.929 ( -1.688 2.327 -4.755) 5.556 5.119 ( -0.802 -10.469 2.975) 10.913 5.382 ( 7.706 0.849 3.015) 8.318 5.390 ( 1.494 8.504 -0.428) 8.645 5.549 ( -5.180 3.592 -3.370) 7.148 5.611 ( -1.492 -3.797 -0.233) 4.086 5.741 ( 3.252 -0.397 0.533) 3.319 5.807 ( 2.066 -5.496 -1.099) 5.974 6.036 ( 1.734 2.119 0.415) 2.769 6.052 ( -0.779 -10.251 2.410) 10.559 6.156 ( 0.519 1.016 -2.972) 3.183 6.199 ( 2.803 -2.663 1.406) 4.114 6.276 ( -4.543 5.247 -1.017) 7.015 6.449 ( 2.599 1.759 1.474) 3.467 6.730 ( 2.437 -11.042 4.983) 12.357 6.817 ( 1.544 4.759 -3.875) 6.328 6.885 ( 1.139 0.054 1.458) 1.851 7.030 ( -2.556 -0.888 -2.883) 3.954 7.076 ( 0.255 -3.149 1.066) 3.334 7.546 ( 3.718 1.586 0.974) 4.158 7.610 ( 2.908 1.361 0.539) 3.255 7.816 ( 0.707 4.510 -2.639) 5.272 7.900 ( -1.400 -2.687 0.593) 3.087 7.956 ( -1.568 3.700 -2.466) 4.715 8.190 ( -1.994 6.471 1.139) 6.866 8.513 ( 4.794 -2.955 -2.111) 6.014 8.530 ( -3.477 4.591 4.087) 7.062 8.594 ( -2.322 -5.041 -1.103) 5.658 8.687 ( -5.140 -2.632 1.483) 5.962 8.955 ( -0.946 0.449 0.986) 1.439 9.085 ( -2.906 -1.440 0.103) 3.245 9.121 ( -4.221 4.230 -1.180) 6.091 9.281 ( 1.184 -5.391 0.670) 5.560 9.552 ( -2.595 -4.205 0.201) 4.945 9.654 ( -0.816 -0.197 -1.238) 1.496 9.734 ( 0.053 3.938 0.002) 3.938 9.776 ( -0.077 0.736 -0.889) 1.157 9.855 ( -0.639 10.706 0.723) 10.749 10.282 ( 1.035 1.388 -0.268) 1.752 10.441 ( 0.518 4.490 0.216) 4.525 10.841 ( -1.431 3.433 -0.491) 3.752 11.290 ( 4.549 1.828 -0.724) 4.956 11.625 ( 0.869 -1.965 -2.369) 3.198 11.700 ( 7.574 0.965 -6.982) 10.346 11.859 ( -9.989 1.561 6.958) 12.273 12.069 ( -1.176 1.607 0.633) 2.090 12.227 ( 2.526 -5.149 3.506) 6.722 12.342 ( 1.546 6.917 2.144) 7.405 12.446 ( -3.921 0.617 -0.727) 4.035 12.604 ( -1.654 6.291 -1.809) 6.751 12.929 ( -1.014 9.820 -0.492) 9.884 13.296 ( 0.944 3.569 1.885) 4.145 13.327 ( -1.154 3.978 -1.456) 4.391 13.614 ( 1.164 -1.967 -1.409) 2.685 13.708 ( 1.177 1.354 0.013) 1.794 13.801 ( -4.095 3.223 0.202) 5.215 14.008 ( -3.150 1.624 1.922) 4.032 14.687 ( -0.446 -0.812 -1.796) 2.021 15.087 ( 0.602 -9.270 -1.467) 9.404 15.346 ( 0.940 1.828 0.714) 2.176 15.581 ( 6.532 -7.797 2.375) 10.445 15.753 ( 10.080 3.324 3.120) 11.063 15.904 ( 0.288 -4.983 -3.640) 6.178 15.984 ( -4.270 -0.095 1.683) 4.591 16.029 ( -1.746 1.728 8.526) 8.873 16.158 ( -4.354 -1.279 -7.358) 8.645 16.276 ( -1.889 4.072 -2.872) 5.329 16.392 ( -3.431 -1.262 1.403) 3.916 16.559 ( -6.898 -0.117 0.776) 6.943 17.182 ( 0.208 -5.894 -0.369) 5.910 17.368 ( 1.354 1.146 -0.505) 1.845 17.419 ( -1.540 -0.999 -2.290) 2.935 17.762 ( -1.791 2.112 0.556) 2.824 17.818 ( 1.226 -0.555 -1.951) 2.370 18.445 ( -0.460 -7.626 7.299) 10.566 18.697 ( -0.917 0.960 5.278) 5.442 18.828 ( 4.639 -4.603 -8.284) 10.552 18.878 ( -3.309 2.455 2.524) 4.832 19.299 ( 0.637 11.721 -1.374) 11.819 19.515 ( 0.505 4.011 -0.826) 4.127 19.731 ( -1.184 8.318 -0.583) 8.422 20.390 ( 0.217 -0.732 0.875) 1.161 20.484 ( 0.643 -1.591 -1.313) 2.161 21.303 ( 1.179 1.104 -0.081) 1.618 21.488 ( -0.874 0.364 -0.361) 1.013 21.598 ( -0.271 1.579 -0.511) 1.681 21.871 ( 1.010 -3.669 0.268) 3.815 22.046 ( 3.756 -5.742 1.404) 7.003 22.554 ( 1.023 -4.354 -1.766) 4.808 ======================= Grid point 14 (9/90) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.000 30.779 0.000) 30.779 1.579 ( 0.000 36.835 0.000) 36.835 2.632 ( 0.000 7.969 0.000) 7.969 2.731 ( 0.000 51.876 0.000) 51.876 2.929 ( 0.000 -2.142 0.000) 2.142 3.186 ( 0.000 6.598 0.000) 6.598 3.442 ( 0.000 13.892 0.000) 13.892 3.546 ( 0.000 7.048 0.000) 7.048 3.597 ( 0.000 9.644 0.000) 9.644 3.741 ( 0.000 -4.460 0.000) 4.460 4.014 ( 0.000 -0.371 0.000) 0.371 4.092 ( 0.000 -0.502 0.000) 0.502 4.151 ( 0.000 -7.041 0.000) 7.041 4.228 ( 0.000 -4.767 0.000) 4.767 4.355 ( 0.000 -4.584 0.000) 4.584 4.596 ( 0.000 -12.531 0.000) 12.531 4.600 ( 0.000 -4.811 0.000) 4.811 4.671 ( 0.000 -10.512 0.000) 10.512 4.706 ( 0.000 0.170 0.000) 0.170 4.878 ( 0.000 -4.538 0.000) 4.538 5.180 ( 0.000 1.443 0.000) 1.443 5.219 ( 0.000 3.964 0.000) 3.964 5.471 ( 0.000 -3.363 0.000) 3.363 5.589 ( 0.000 -0.609 0.000) 0.609 5.622 ( 0.000 6.898 0.000) 6.898 5.740 ( 0.000 -0.712 0.000) 0.712 5.812 ( 0.000 0.418 0.000) 0.418 5.961 ( 0.000 3.061 0.000) 3.061 6.008 ( 0.000 -4.132 0.000) 4.132 6.146 ( 0.000 8.402 0.000) 8.402 6.275 ( 0.000 -7.558 0.000) 7.558 6.301 ( 0.000 6.499 0.000) 6.499 6.531 ( 0.000 -8.564 0.000) 8.564 6.536 ( 0.000 2.629 0.000) 2.629 6.630 ( 0.000 4.718 0.000) 4.718 6.691 ( 0.000 7.883 0.000) 7.883 6.869 ( 0.000 -7.474 0.000) 7.474 6.995 ( 0.000 -1.562 0.000) 1.562 7.222 ( 0.000 -2.243 0.000) 2.243 7.290 ( 0.000 -2.069 0.000) 2.069 7.851 ( 0.000 6.926 0.000) 6.926 8.125 ( 0.000 -6.795 0.000) 6.795 8.237 ( 0.000 3.902 0.000) 3.902 8.415 ( 0.000 5.101 0.000) 5.101 8.422 ( 0.000 -8.258 0.000) 8.258 8.517 ( 0.000 0.524 0.000) 0.524 8.629 ( 0.000 0.142 0.000) 0.142 8.865 ( 0.000 -4.256 0.000) 4.256 8.942 ( 0.000 0.174 0.000) 0.174 9.231 ( 0.000 -3.389 0.000) 3.389 9.476 ( 0.000 -4.520 0.000) 4.520 9.488 ( 0.000 3.095 0.000) 3.095 9.508 ( 0.000 -0.366 0.000) 0.366 9.704 ( 0.000 -2.778 0.000) 2.778 9.816 ( 0.000 -4.045 0.000) 4.045 9.929 ( 0.000 2.200 0.000) 2.200 10.122 ( 0.000 11.455 0.000) 11.455 10.313 ( 0.000 8.599 0.000) 8.599 10.573 ( 0.000 2.148 0.000) 2.148 10.789 ( 0.000 3.708 0.000) 3.708 10.808 ( 0.000 -2.943 0.000) 2.943 11.169 ( 0.000 2.776 0.000) 2.776 11.861 ( 0.000 6.860 0.000) 6.860 11.877 ( 0.000 1.438 0.000) 1.438 12.118 ( 0.000 4.646 0.000) 4.646 12.472 ( 0.000 14.859 0.000) 14.859 12.547 ( 0.000 -2.301 0.000) 2.301 12.629 ( 0.000 0.612 0.000) 0.612 12.646 ( 0.000 10.453 0.000) 10.453 13.254 ( 0.000 9.840 0.000) 9.840 13.354 ( 0.000 -1.898 0.000) 1.898 13.612 ( 0.000 2.525 0.000) 2.525 13.742 ( 0.000 -0.040 0.000) 0.040 13.918 ( 0.000 -3.564 0.000) 3.564 14.048 ( 0.000 -4.569 0.000) 4.569 14.534 ( 0.000 2.655 0.000) 2.655 14.608 ( 0.000 3.894 0.000) 3.894 14.789 ( 0.000 3.610 0.000) 3.610 15.077 ( 0.000 -1.267 0.000) 1.267 15.313 ( 0.000 -3.395 0.000) 3.395 15.353 ( 0.000 2.137 0.000) 2.137 15.566 ( 0.000 -7.748 0.000) 7.748 15.941 ( 0.000 -4.460 0.000) 4.460 16.130 ( 0.000 -3.153 0.000) 3.153 16.283 ( 0.000 -1.726 0.000) 1.726 16.405 ( 0.000 -0.582 0.000) 0.582 16.770 ( 0.000 -9.166 0.000) 9.166 16.856 ( 0.000 0.560 0.000) 0.560 17.226 ( 0.000 -3.960 0.000) 3.960 17.425 ( 0.000 5.144 0.000) 5.144 17.578 ( 0.000 -8.937 0.000) 8.937 17.778 ( 0.000 0.621 0.000) 0.621 18.108 ( 0.000 -0.647 0.000) 0.647 18.124 ( 0.000 3.058 0.000) 3.058 18.422 ( 0.000 -7.042 0.000) 7.042 18.881 ( 0.000 1.936 0.000) 1.936 19.199 ( 0.000 7.163 0.000) 7.163 19.286 ( 0.000 7.285 0.000) 7.285 19.446 ( 0.000 7.910 0.000) 7.910 20.371 ( 0.000 -0.755 0.000) 0.755 20.427 ( 0.000 -1.762 0.000) 1.762 20.537 ( 0.000 -3.583 0.000) 3.583 21.279 ( 0.000 6.288 0.000) 6.288 21.372 ( 0.000 -4.551 0.000) 4.551 21.546 ( 0.000 -2.195 0.000) 2.195 21.652 ( 0.000 1.523 0.000) 1.523 21.727 ( 0.000 0.297 0.000) 0.297 22.267 ( 0.000 -7.650 0.000) 7.650 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 19.823 26.114 8.274) 33.813 1.697 ( 12.077 32.982 2.132) 35.189 2.691 ( 6.136 17.108 2.461) 18.341 2.825 ( 2.115 7.383 -9.627) 12.315 2.951 ( 17.953 27.197 -6.167) 33.166 3.324 ( 0.909 7.334 4.652) 8.732 3.377 ( -11.256 10.358 2.471) 15.495 3.492 ( 9.901 11.144 -3.035) 15.212 3.616 ( 1.169 9.859 -0.062) 9.928 3.811 ( 1.233 -2.802 0.201) 3.068 3.962 ( -7.271 -0.903 -4.194) 8.442 4.003 ( -10.293 -4.447 2.024) 11.394 4.043 ( 0.538 -2.035 4.526) 4.991 4.320 ( 3.906 -7.263 2.428) 8.596 4.446 ( 8.420 -3.642 2.140) 9.420 4.544 ( -3.845 -4.243 -8.219) 10.017 4.589 ( 0.647 -6.821 0.716) 6.889 4.690 ( 3.888 -8.879 2.770) 10.081 4.774 ( 0.629 -1.759 7.269) 7.505 4.859 ( -1.546 -3.411 -3.731) 5.286 5.178 ( -0.451 -0.304 -3.958) 3.995 5.240 ( 4.323 3.469 -5.901) 8.096 5.475 ( 0.308 -3.033 1.674) 3.478 5.567 ( -2.019 -0.213 -1.328) 2.426 5.671 ( 1.754 0.657 3.903) 4.330 5.732 ( 0.468 1.533 -4.296) 4.585 5.807 ( -1.217 0.058 1.613) 2.021 5.934 ( -1.959 -1.775 -12.453) 12.731 5.962 ( -1.263 2.808 10.451) 10.895 6.070 ( -4.659 2.710 3.155) 6.245 6.287 ( 0.069 9.561 0.287) 9.566 6.389 ( -1.562 -7.735 0.727) 7.924 6.437 ( 3.183 -0.765 -1.391) 3.557 6.586 ( -2.434 3.983 -0.131) 4.670 6.657 ( 4.688 -3.284 3.784) 6.861 6.780 ( 6.791 6.691 0.763) 9.564 6.897 ( 2.830 -7.828 -1.344) 8.432 7.005 ( 0.672 -1.182 0.809) 1.582 7.269 ( 4.459 -2.523 0.048) 5.124 7.346 ( 6.145 -1.704 -0.871) 6.436 7.881 ( 3.063 7.306 -0.253) 7.926 8.018 ( -5.833 -2.241 -4.394) 7.639 8.199 ( -3.613 2.487 -4.201) 6.074 8.397 ( -1.353 -1.812 -0.410) 2.299 8.468 ( 1.342 -1.963 0.184) 2.385 8.493 ( -2.856 1.686 6.799) 7.565 8.705 ( 4.723 -4.851 0.934) 6.834 8.844 ( -1.507 -1.498 -2.735) 3.463 8.888 ( -6.109 -0.314 5.394) 8.156 9.197 ( -3.020 -3.430 1.098) 4.700 9.365 ( -6.510 -0.025 -0.388) 6.521 9.464 ( -4.159 0.277 -1.996) 4.621 9.562 ( 1.197 -0.674 3.381) 3.650 9.700 ( 0.216 0.605 -1.267) 1.420 9.775 ( -0.461 -3.606 -7.241) 8.103 9.882 ( -5.017 2.574 3.343) 6.556 10.127 ( -1.207 10.099 1.504) 10.282 10.316 ( 1.161 7.635 -1.409) 7.850 10.551 ( -4.076 2.592 0.707) 4.882 10.772 ( 6.369 -1.655 -0.994) 6.655 11.033 ( 13.107 -1.132 -0.856) 13.183 11.218 ( 6.170 0.821 0.914) 6.291 11.838 ( -1.725 1.382 -4.204) 4.750 11.886 ( -0.761 4.836 8.821) 10.088 12.111 ( -1.147 4.527 0.914) 4.758 12.408 ( -6.445 7.869 -3.496) 10.755 12.492 ( -0.933 10.366 -1.146) 10.471 12.578 ( -1.644 -1.948 -3.365) 4.221 12.767 ( 4.150 6.405 6.774) 10.204 13.215 ( -4.012 9.638 -0.288) 10.444 13.349 ( -0.621 -1.335 -0.552) 1.572 13.594 ( -0.952 0.828 -5.496) 5.639 13.669 ( -7.898 1.029 1.882) 8.184 13.770 ( -5.567 1.557 0.981) 5.863 14.080 ( -2.402 -0.691 -0.935) 2.669 14.468 ( -12.046 6.221 2.588) 13.802 14.670 ( 10.772 -1.013 -5.073) 11.950 14.768 ( -1.315 1.067 0.238) 1.710 15.092 ( 2.722 -2.789 3.364) 5.149 15.325 ( 1.784 -1.417 -0.525) 2.338 15.445 ( 7.461 1.313 1.916) 7.814 15.634 ( 4.726 -7.123 3.301) 9.163 15.945 ( 0.947 -4.220 -2.275) 4.886 16.160 ( 0.323 -2.093 6.007) 6.369 16.280 ( 0.938 -2.009 -5.333) 5.776 16.368 ( -3.497 -0.903 0.012) 3.612 16.642 ( -10.375 -4.291 3.744) 11.835 16.898 ( 1.050 -3.917 -4.014) 5.706 17.163 ( -6.290 -3.312 -0.776) 7.151 17.403 ( -1.757 4.542 -0.040) 4.870 17.519 ( -3.754 -4.856 -2.998) 6.831 17.773 ( 0.367 -0.088 -1.968) 2.004 17.987 ( -6.926 1.741 -0.738) 7.179 18.207 ( 1.364 -1.183 9.421) 9.593 18.464 ( 4.287 -7.932 -1.781) 9.190 18.850 ( -3.607 1.913 2.717) 4.904 19.123 ( -5.261 9.116 5.713) 11.976 19.368 ( 6.802 5.562 -7.599) 11.617 19.512 ( 6.020 7.502 -1.640) 9.758 20.340 ( -13.406 3.084 3.365) 14.162 20.370 ( -2.721 -0.113 -3.236) 4.230 20.438 ( 0.726 -0.594 -1.577) 1.835 21.258 ( 1.107 1.553 -1.994) 2.759 21.460 ( 4.608 -2.187 1.916) 5.448 21.607 ( 3.816 -3.620 3.013) 6.061 21.670 ( 0.778 1.490 -1.975) 2.593 21.730 ( 2.946 -1.151 -1.609) 3.548 22.311 ( 4.396 -8.018 -1.560) 9.276 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 16.360 24.521 6.749) 30.241 2.079 ( 22.795 22.975 3.584) 32.563 2.732 ( -0.034 7.992 0.342) 7.999 2.947 ( 3.912 10.035 -6.617) 12.641 3.187 ( -2.493 8.823 -4.627) 10.270 3.257 ( -4.731 12.007 -3.103) 13.274 3.334 ( 19.557 10.207 -5.480) 22.731 3.589 ( -9.550 8.664 -0.592) 12.908 3.653 ( 1.451 13.165 2.165) 13.421 3.761 ( 4.699 7.036 5.244) 9.954 3.860 ( 3.208 0.410 3.504) 4.768 4.006 ( 3.690 -1.988 6.441) 7.684 4.098 ( 4.269 -2.811 -0.567) 5.143 4.345 ( -3.093 -9.599 -2.362) 10.358 4.457 ( 0.957 -4.406 -6.288) 7.738 4.563 ( -4.288 1.534 -1.112) 4.688 4.635 ( 7.466 -3.164 -0.821) 8.150 4.743 ( -4.833 -6.609 3.923) 9.079 4.790 ( -0.780 -2.788 5.870) 6.545 4.865 ( 7.358 -0.202 2.150) 7.668 5.127 ( -3.740 -0.812 -3.317) 5.064 5.267 ( 1.050 3.978 -6.005) 7.280 5.480 ( -1.828 -2.992 -1.798) 3.940 5.547 ( 5.348 -5.577 -4.231) 8.809 5.661 ( -2.665 2.040 1.908) 3.861 5.737 ( -3.082 -0.055 -3.672) 4.794 5.768 ( -2.160 3.474 0.866) 4.181 5.864 ( -0.760 -5.700 -0.205) 5.754 6.027 ( 1.665 2.484 1.596) 3.389 6.047 ( 2.882 -1.249 5.136) 6.021 6.249 ( -5.528 0.607 0.723) 5.608 6.362 ( 3.207 0.572 0.828) 3.362 6.469 ( -3.311 -0.883 -0.601) 3.479 6.580 ( 2.511 5.152 -1.626) 5.958 6.761 ( 3.875 -4.935 4.616) 7.789 6.892 ( 4.205 5.352 -0.697) 6.842 6.951 ( 3.627 -5.501 -2.051) 6.900 7.017 ( 0.062 -1.082 1.582) 1.918 7.387 ( 8.635 -2.877 -1.380) 9.206 7.495 ( 8.740 0.325 1.364) 8.851 7.918 ( -2.986 1.434 -0.110) 3.314 7.952 ( 2.407 6.492 -0.945) 6.988 8.090 ( -3.904 1.218 -5.051) 6.499 8.348 ( -3.995 0.566 2.053) 4.527 8.447 ( -0.267 3.046 -0.674) 3.131 8.514 ( -0.323 -5.385 1.123) 5.510 8.689 ( -5.332 -6.477 1.587) 8.539 8.725 ( -6.454 3.508 -0.432) 7.359 8.912 ( 1.688 -2.412 5.014) 5.814 9.126 ( -4.907 -2.784 -2.140) 6.035 9.253 ( -4.098 0.896 0.113) 4.197 9.353 ( -6.643 1.875 -0.183) 6.905 9.543 ( -4.195 -2.519 1.723) 5.188 9.677 ( -1.459 -0.841 -2.534) 3.042 9.754 ( -1.074 1.467 -0.605) 1.916 9.846 ( 1.509 3.671 0.403) 3.989 10.085 ( -2.033 8.279 -1.231) 8.613 10.340 ( 0.932 6.604 -0.041) 6.669 10.502 ( -0.704 2.610 0.927) 2.857 10.872 ( 3.265 -0.964 -0.692) 3.474 11.211 ( 8.367 2.246 -3.501) 9.344 11.429 ( 13.745 -4.190 -1.397) 14.437 11.754 ( -5.362 0.212 -2.317) 5.845 11.929 ( -0.591 0.513 10.156) 10.186 12.083 ( -2.140 3.603 3.141) 5.237 12.276 ( -5.265 6.986 -3.107) 9.283 12.462 ( -1.785 1.522 -3.530) 4.239 12.543 ( -0.363 7.204 -0.565) 7.235 12.816 ( -1.766 7.104 3.306) 8.032 13.141 ( -1.851 8.434 -1.264) 8.727 13.325 ( -1.428 -0.702 0.165) 1.599 13.499 ( -4.666 2.447 -4.525) 6.945 13.595 ( -2.198 0.292 2.551) 3.380 13.736 ( 0.658 3.212 0.847) 3.386 13.988 ( -5.440 5.072 0.389) 7.448 14.235 ( -12.100 6.459 0.642) 13.731 14.724 ( -0.133 2.882 -3.408) 4.465 14.842 ( 5.922 -7.449 -2.402) 9.814 15.223 ( 7.644 -4.174 6.137) 10.654 15.369 ( 2.820 -0.628 -0.615) 2.954 15.609 ( 8.130 -0.428 2.632) 8.556 15.741 ( 5.368 -4.404 2.084) 7.249 15.955 ( 1.457 -3.381 -2.841) 4.650 16.148 ( -5.666 1.021 9.071) 10.744 16.229 ( -3.929 -3.635 -5.851) 7.930 16.322 ( 0.192 -0.872 -5.118) 5.195 16.471 ( -8.816 -1.598 3.662) 9.679 16.790 ( -10.470 0.053 -1.327) 10.554 17.056 ( -3.148 -6.210 -0.820) 7.010 17.379 ( -0.570 1.658 0.749) 1.907 17.460 ( -0.536 0.789 -5.140) 5.227 17.780 ( 1.608 -1.149 -3.197) 3.759 17.870 ( -5.105 1.810 1.008) 5.509 18.261 ( -0.942 -4.799 11.488) 12.486 18.548 ( 5.314 -8.326 -2.114) 10.101 18.795 ( -3.110 1.979 2.648) 4.538 19.062 ( -3.450 7.536 0.782) 8.325 19.456 ( 5.590 7.125 -4.327) 10.037 19.604 ( 3.713 7.309 -1.035) 8.263 20.068 ( -11.653 9.353 -1.669) 15.035 20.362 ( -0.298 -0.804 2.192) 2.354 20.446 ( 0.918 -1.297 -2.328) 2.818 21.293 ( 2.715 1.096 -1.018) 3.100 21.508 ( 0.051 -1.161 0.700) 1.356 21.640 ( -1.841 -0.011 -1.113) 2.152 21.706 ( 4.296 -4.936 4.744) 8.083 21.827 ( 6.712 -2.890 -3.099) 7.937 22.389 ( 4.143 -7.372 -1.493) 8.588 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 16.928 15.553 4.006) 23.335 2.474 ( 15.460 20.458 1.021) 25.663 2.664 ( -11.360 11.076 1.658) 15.952 2.875 ( 0.440 14.898 1.405) 14.971 3.045 ( -5.974 11.562 -8.820) 15.722 3.144 ( -12.324 10.784 -2.976) 16.645 3.436 ( 8.884 -1.418 -9.613) 13.166 3.545 ( -6.441 -0.314 8.942) 11.025 3.766 ( 4.970 -0.193 0.780) 5.034 3.984 ( 15.602 10.194 6.973) 19.899 4.054 ( 7.572 7.133 4.417) 11.301 4.132 ( 8.480 0.552 3.112) 9.050 4.154 ( 2.122 -4.207 -5.979) 7.612 4.288 ( 0.829 -2.649 0.647) 2.850 4.403 ( -7.214 -1.475 -1.829) 7.587 4.451 ( -9.210 5.279 -1.897) 10.784 4.561 ( -2.564 2.467 -5.357) 6.431 4.754 ( -2.036 -6.566 4.077) 7.992 4.792 ( -0.559 -1.856 0.694) 2.059 4.987 ( 1.047 6.122 -1.640) 6.424 5.039 ( -0.987 6.139 0.785) 6.267 5.308 ( 6.812 -6.771 1.639) 9.743 5.457 ( -2.624 -7.946 -1.804) 8.560 5.582 ( -2.049 2.730 -3.244) 4.709 5.617 ( -3.732 3.506 0.563) 5.152 5.657 ( 3.015 -8.331 -2.520) 9.211 5.737 ( -1.790 0.346 0.727) 1.963 5.874 ( 0.608 -5.024 0.714) 5.111 6.069 ( 0.387 0.510 -0.128) 0.653 6.116 ( 0.712 -5.763 3.746) 6.910 6.198 ( 2.632 1.750 -1.410) 3.461 6.359 ( -5.471 -1.739 0.989) 5.825 6.473 ( 5.084 3.644 0.814) 6.308 6.587 ( -1.355 5.043 -1.865) 5.545 6.828 ( 1.281 -5.245 3.856) 6.635 6.896 ( -1.337 -2.499 -4.000) 4.902 7.010 ( 2.692 0.504 -1.830) 3.294 7.053 ( 1.597 0.817 3.647) 4.064 7.550 ( 7.612 -0.429 -1.089) 7.702 7.643 ( 4.787 1.815 1.179) 5.253 7.834 ( -5.437 -2.313 0.778) 5.960 7.934 ( -1.426 5.572 -1.619) 5.975 8.084 ( 2.268 7.808 -1.702) 8.307 8.313 ( -0.132 3.717 2.670) 4.578 8.434 ( -0.390 -3.674 -1.832) 4.124 8.482 ( -2.640 -4.743 -1.018) 5.523 8.601 ( -3.462 -5.228 2.353) 6.697 8.655 ( -1.645 5.943 0.648) 6.201 8.932 ( -0.560 -2.965 1.626) 3.428 9.026 ( -2.943 -2.612 -1.953) 4.393 9.193 ( -3.158 1.438 -0.927) 3.592 9.262 ( -1.502 1.962 0.583) 2.539 9.472 ( -2.497 -2.324 -0.040) 3.411 9.639 ( -1.455 -0.824 0.430) 1.726 9.762 ( 1.601 0.982 0.119) 1.882 9.856 ( -1.034 5.880 -0.366) 5.982 10.071 ( 0.613 7.865 -0.817) 7.931 10.342 ( -0.133 4.732 -0.246) 4.740 10.524 ( 1.458 2.808 0.759) 3.254 10.890 ( -0.234 0.543 -0.424) 0.728 11.343 ( 6.067 3.346 -1.531) 7.096 11.601 ( -1.511 -0.204 -0.345) 1.563 11.687 ( 7.214 -2.472 -4.182) 8.697 11.882 ( -7.795 1.048 5.222) 9.441 12.112 ( 2.032 -1.392 6.130) 6.606 12.187 ( -2.728 5.390 -3.460) 6.962 12.415 ( -0.956 -1.995 -2.404) 3.267 12.550 ( 0.416 10.291 0.529) 10.313 12.774 ( -2.051 9.139 0.350) 9.373 13.125 ( -0.260 8.074 -0.889) 8.127 13.330 ( 2.062 -0.514 1.890) 2.844 13.404 ( -4.137 1.613 -1.998) 4.869 13.571 ( -0.940 -1.242 0.142) 1.564 13.782 ( 2.785 5.436 0.508) 6.129 13.918 ( -1.857 8.425 0.452) 8.639 14.051 ( -6.648 2.228 0.030) 7.012 14.715 ( 0.139 4.114 -0.715) 4.178 14.895 ( 1.428 -7.364 -1.835) 7.722 15.368 ( 3.380 -1.899 4.048) 5.605 15.413 ( 2.106 -5.298 -1.121) 5.810 15.739 ( 3.820 -5.726 0.873) 6.939 15.868 ( 7.287 0.642 0.787) 7.358 15.966 ( -0.214 -0.245 -1.475) 1.511 16.059 ( -5.784 0.452 6.734) 8.889 16.126 ( -3.378 -1.799 -5.853) 6.993 16.288 ( -2.182 -5.413 0.744) 5.884 16.373 ( -1.656 2.961 -3.035) 4.553 16.607 ( -6.409 3.835 1.317) 7.584 17.022 ( -0.785 -8.274 0.010) 8.311 17.388 ( 0.482 0.420 1.529) 1.657 17.434 ( -0.095 2.465 -3.619) 4.380 17.795 ( 1.025 -1.463 -1.851) 2.573 17.812 ( -1.621 2.164 0.632) 2.777 18.284 ( -0.849 -7.638 5.590) 9.503 18.623 ( 2.603 -7.826 -0.380) 8.256 18.766 ( -0.631 1.253 -0.066) 1.404 19.003 ( -2.375 6.492 0.140) 6.914 19.528 ( 3.068 9.965 -1.687) 10.562 19.634 ( 0.092 7.119 -0.077) 7.120 19.918 ( -3.692 8.676 -0.807) 9.464 20.370 ( 0.124 -1.026 1.172) 1.563 20.448 ( 0.251 -1.532 -1.110) 1.909 21.332 ( 1.361 1.504 -0.165) 2.035 21.497 ( -0.712 0.027 -0.031) 0.713 21.611 ( -0.675 -1.119 -0.439) 1.378 21.780 ( 1.557 -4.478 1.857) 5.092 21.917 ( 3.075 -5.256 -0.981) 6.168 22.439 ( 1.544 -6.293 -0.545) 6.503 ======================= Grid point 21 (13/90) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 0.000 25.809 0.000) 25.809 2.299 ( 0.000 31.636 0.000) 31.636 2.761 ( 0.000 7.522 0.000) 7.522 3.015 ( 0.000 7.005 0.000) 7.005 3.191 ( 0.000 4.726 0.000) 4.726 3.457 ( 0.000 7.371 0.000) 7.371 3.643 ( 0.000 -1.559 0.000) 1.559 3.666 ( 0.000 8.367 0.000) 8.367 3.719 ( 0.000 5.818 0.000) 5.818 3.913 ( 0.000 8.622 0.000) 8.622 3.985 ( 0.000 -8.096 0.000) 8.096 4.027 ( 0.000 2.466 0.000) 2.466 4.097 ( 0.000 -10.275 0.000) 10.275 4.154 ( 0.000 3.875 0.000) 3.875 4.242 ( 0.000 -7.106 0.000) 7.106 4.364 ( 0.000 -9.707 0.000) 9.707 4.410 ( 0.000 -1.077 0.000) 1.077 4.549 ( 0.000 9.038 0.000) 9.038 4.680 ( 0.000 -5.878 0.000) 5.878 4.773 ( 0.000 -7.144 0.000) 7.144 5.250 ( 0.000 -4.573 0.000) 4.573 5.353 ( 0.000 1.988 0.000) 1.988 5.411 ( 0.000 5.904 0.000) 5.904 5.457 ( 0.000 -2.234 0.000) 2.234 5.605 ( 0.000 -7.228 0.000) 7.228 5.683 ( 0.000 -4.670 0.000) 4.670 5.917 ( 0.000 3.281 0.000) 3.281 5.970 ( 0.000 1.271 0.000) 1.271 6.066 ( 0.000 9.618 0.000) 9.618 6.217 ( 0.000 3.216 0.000) 3.216 6.275 ( 0.000 4.108 0.000) 4.108 6.401 ( 0.000 -3.563 0.000) 3.563 6.435 ( 0.000 5.451 0.000) 5.451 6.652 ( 0.000 7.144 0.000) 7.144 6.672 ( 0.000 -0.378 0.000) 0.378 6.811 ( 0.000 0.400 0.000) 0.400 6.869 ( 0.000 9.245 0.000) 9.245 6.991 ( 0.000 0.879 0.000) 0.879 7.207 ( 0.000 -6.229 0.000) 6.229 7.219 ( 0.000 2.701 0.000) 2.701 7.955 ( 0.000 -9.757 0.000) 9.757 7.985 ( 0.000 5.448 0.000) 5.448 8.151 ( 0.000 -18.845 0.000) 18.845 8.299 ( 0.000 2.983 0.000) 2.983 8.429 ( 0.000 -1.982 0.000) 1.982 8.602 ( 0.000 5.281 0.000) 5.281 8.661 ( 0.000 1.948 0.000) 1.948 8.773 ( 0.000 -3.343 0.000) 3.343 8.943 ( 0.000 0.021 0.000) 0.021 9.131 ( 0.000 -4.500 0.000) 4.500 9.382 ( 0.000 -4.266 0.000) 4.266 9.479 ( 0.000 -1.315 0.000) 1.315 9.560 ( 0.000 2.834 0.000) 2.834 9.643 ( 0.000 -2.487 0.000) 2.487 9.730 ( 0.000 -4.091 0.000) 4.091 10.032 ( 0.000 6.929 0.000) 6.929 10.279 ( 0.000 3.465 0.000) 3.465 10.476 ( 0.000 6.237 0.000) 6.237 10.621 ( 0.000 2.139 0.000) 2.139 10.711 ( 0.000 -5.931 0.000) 5.931 10.892 ( 0.000 6.496 0.000) 6.496 11.202 ( 0.000 0.088 0.000) 0.088 11.888 ( 0.000 0.056 0.000) 0.056 11.996 ( 0.000 6.161 0.000) 6.161 12.176 ( 0.000 0.951 0.000) 0.951 12.447 ( 0.000 -6.703 0.000) 6.703 12.685 ( 0.000 4.075 0.000) 4.075 12.768 ( 0.000 12.648 0.000) 12.648 12.893 ( 0.000 11.290 0.000) 11.290 13.329 ( 0.000 0.445 0.000) 0.445 13.447 ( 0.000 8.111 0.000) 8.111 13.668 ( 0.000 2.722 0.000) 2.722 13.720 ( 0.000 -3.751 0.000) 3.751 13.846 ( 0.000 -3.567 0.000) 3.567 14.033 ( 0.000 4.795 0.000) 4.795 14.578 ( 0.000 0.687 0.000) 0.687 14.606 ( 0.000 -1.195 0.000) 1.195 14.818 ( 0.000 -2.820 0.000) 2.820 15.191 ( 0.000 11.634 0.000) 11.634 15.193 ( 0.000 -6.211 0.000) 6.211 15.416 ( 0.000 3.472 0.000) 3.472 15.499 ( 0.000 -0.138 0.000) 0.138 15.845 ( 0.000 -4.384 0.000) 4.384 16.054 ( 0.000 -3.893 0.000) 3.893 16.223 ( 0.000 -3.652 0.000) 3.652 16.384 ( 0.000 -3.008 0.000) 3.008 16.583 ( 0.000 -6.850 0.000) 6.850 16.872 ( 0.000 1.066 0.000) 1.066 17.139 ( 0.000 -4.116 0.000) 4.116 17.435 ( 0.000 -5.025 0.000) 5.025 17.517 ( 0.000 3.585 0.000) 3.585 17.784 ( 0.000 -0.100 0.000) 0.100 18.084 ( 0.000 -1.361 0.000) 1.361 18.181 ( 0.000 2.315 0.000) 2.315 18.298 ( 0.000 -4.884 0.000) 4.884 18.922 ( 0.000 1.893 0.000) 1.893 19.347 ( 0.000 6.550 0.000) 6.550 19.402 ( 0.000 4.023 0.000) 4.023 19.618 ( 0.000 8.252 0.000) 8.252 20.347 ( 0.000 -5.636 0.000) 5.636 20.356 ( 0.000 -0.672 0.000) 0.672 20.499 ( 0.000 -0.104 0.000) 0.104 21.270 ( 0.000 -4.985 0.000) 4.985 21.387 ( 0.000 3.701 0.000) 3.701 21.510 ( 0.000 -1.059 0.000) 1.059 21.680 ( 0.000 1.160 0.000) 1.160 21.731 ( 0.000 0.090 0.000) 0.090 22.120 ( 0.000 -6.085 0.000) 6.085 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 14.807 22.677 6.015) 27.743 2.363 ( 6.535 30.100 0.680) 30.809 2.839 ( 6.504 8.222 0.434) 10.492 2.990 ( 4.798 7.613 -6.603) 11.161 3.323 ( 4.692 7.718 -3.888) 9.834 3.407 ( -2.068 2.600 2.716) 4.292 3.632 ( -1.700 1.690 -2.779) 3.670 3.674 ( 4.711 2.365 -4.209) 6.745 3.764 ( -1.483 -1.641 3.083) 3.794 3.875 ( -1.237 11.236 -0.421) 11.311 3.931 ( -0.887 0.977 -3.583) 3.818 4.004 ( -4.437 2.536 9.876) 11.120 4.144 ( 4.779 -4.734 -2.360) 7.129 4.202 ( 2.707 7.038 3.669) 8.386 4.324 ( 8.022 -10.494 2.035) 13.364 4.350 ( -0.393 -2.951 -3.626) 4.692 4.412 ( 1.470 -11.268 -0.814) 11.393 4.574 ( 0.385 7.426 4.974) 8.946 4.709 ( 3.178 -6.779 -1.829) 7.707 4.801 ( 2.494 -3.514 -0.464) 4.334 5.240 ( 0.828 -8.298 -6.866) 10.802 5.300 ( -4.463 8.884 4.725) 11.008 5.366 ( -2.290 -4.411 -0.048) 4.970 5.479 ( -0.325 -2.603 -9.295) 9.658 5.609 ( 1.086 -5.202 5.232) 7.458 5.713 ( 1.027 -2.585 2.661) 3.850 5.883 ( -2.620 2.760 -0.633) 3.858 5.957 ( -1.575 5.778 -3.517) 6.945 6.060 ( -0.405 7.171 5.358) 8.961 6.143 ( -4.151 5.060 1.916) 6.819 6.315 ( -4.642 0.160 -1.725) 4.954 6.414 ( 3.286 -0.161 1.898) 3.798 6.471 ( 5.326 4.585 -0.922) 7.088 6.605 ( -3.833 -0.320 -4.804) 6.154 6.695 ( 3.152 5.080 3.279) 6.819 6.809 ( 1.152 1.017 -1.173) 1.933 6.947 ( 5.328 7.585 1.215) 9.348 6.994 ( -0.955 -0.972 1.809) 2.265 7.211 ( 4.228 -3.566 -3.913) 6.775 7.333 ( 8.246 1.585 3.342) 9.038 7.931 ( -1.446 -6.393 -0.307) 6.561 8.020 ( 3.331 4.962 0.899) 6.044 8.103 ( -4.389 -13.994 -1.080) 14.706 8.325 ( 1.446 -0.206 0.318) 1.495 8.422 ( -0.392 -2.935 -0.210) 2.968 8.582 ( -2.941 4.082 0.546) 5.060 8.641 ( -1.406 -0.915 -1.678) 2.372 8.801 ( 1.887 -1.306 3.753) 4.399 8.880 ( -5.457 -0.901 -0.549) 5.558 9.128 ( -0.869 -1.872 1.484) 2.542 9.330 ( -4.356 -3.291 -1.836) 5.760 9.440 ( -3.383 -1.721 -2.673) 4.643 9.571 ( -1.232 1.259 3.745) 4.139 9.678 ( 0.086 -2.348 -0.862) 2.503 9.734 ( 6.060 -0.274 -4.965) 7.839 9.976 ( -6.365 5.720 4.082) 9.481 10.255 ( -2.891 2.396 0.163) 3.758 10.471 ( 0.527 6.282 -0.480) 6.322 10.610 ( -2.872 2.661 0.310) 3.928 10.737 ( 5.129 -1.988 -0.544) 5.527 11.023 ( 11.452 0.968 -0.037) 11.493 11.225 ( 3.014 -0.475 -0.636) 3.117 11.850 ( -2.962 0.244 -2.830) 4.104 11.992 ( -1.558 5.122 3.908) 6.628 12.170 ( -0.892 1.165 -0.531) 1.560 12.415 ( -2.687 -5.782 -0.645) 6.409 12.612 ( -5.125 6.698 -4.538) 9.577 12.774 ( 0.112 12.123 -0.062) 12.124 12.919 ( 0.877 7.003 4.081) 8.152 13.324 ( -0.986 0.040 0.917) 1.347 13.398 ( -5.866 7.199 0.477) 9.298 13.621 ( -2.669 1.375 -4.799) 5.661 13.661 ( -6.122 -1.974 4.422) 7.806 13.783 ( -3.086 -0.599 2.824) 4.226 14.115 ( 4.443 5.094 -2.446) 7.188 14.487 ( -6.769 -1.231 -0.403) 6.892 14.699 ( 7.965 2.384 -7.433) 11.153 14.824 ( -0.578 0.673 3.175) 3.297 15.096 ( -3.392 2.756 5.641) 7.136 15.263 ( 2.550 -2.648 0.216) 3.682 15.460 ( 5.365 1.347 -2.181) 5.946 15.585 ( 5.581 0.784 4.093) 6.965 15.857 ( 1.659 -3.743 -1.202) 4.267 16.085 ( 2.477 -4.281 -1.979) 5.327 16.215 ( -0.473 -4.154 -3.285) 5.317 16.352 ( -2.605 -2.099 1.049) 3.506 16.532 ( -5.265 -4.599 1.606) 7.173 16.845 ( -3.429 -0.855 2.410) 4.278 17.100 ( -4.767 -2.939 0.597) 5.632 17.411 ( -0.514 -2.323 -5.120) 5.646 17.521 ( -0.040 3.296 0.221) 3.303 17.762 ( -1.437 -1.028 -0.978) 2.020 17.999 ( -6.730 -0.452 0.218) 6.749 18.202 ( -0.891 0.475 6.084) 6.168 18.326 ( 3.259 -5.291 -1.937) 6.509 18.889 ( -3.247 1.700 1.090) 3.824 19.291 ( -5.086 6.984 3.799) 9.438 19.465 ( 6.140 3.569 -4.322) 8.314 19.679 ( 5.695 8.264 -1.379) 10.131 20.308 ( -4.196 -4.709 -2.402) 6.749 20.353 ( -0.572 -0.624 0.814) 1.174 20.465 ( -2.541 2.000 0.733) 3.316 21.252 ( 0.539 -2.198 -0.648) 2.354 21.433 ( 1.766 -0.282 2.155) 2.800 21.548 ( 3.108 -1.987 2.197) 4.293 21.699 ( -1.656 0.572 -1.447) 2.272 21.722 ( 4.047 0.615 -3.276) 5.243 22.162 ( 3.869 -5.972 0.815) 7.162 ======================= Grid point 23 (15/90) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 11.988 18.351 6.133) 22.762 2.562 ( 14.889 23.682 0.114) 27.973 2.932 ( 1.322 12.393 5.225) 13.515 3.166 ( 13.412 7.694 -6.888) 16.927 3.259 ( -1.386 2.881 -6.612) 7.344 3.437 ( -0.539 1.222 -1.958) 2.370 3.512 ( -4.855 14.056 -2.102) 15.019 3.670 ( -9.414 2.525 -1.602) 9.877 3.730 ( -4.256 -3.457 3.015) 6.258 3.877 ( 10.231 0.065 -7.415) 12.636 3.975 ( 0.004 0.276 7.632) 7.637 4.083 ( 8.108 9.791 4.082) 13.351 4.164 ( 0.632 -3.428 -3.155) 4.702 4.259 ( 1.895 -0.024 -4.869) 5.225 4.363 ( 2.831 1.257 -0.277) 3.110 4.479 ( 3.827 -6.731 4.335) 8.874 4.534 ( 10.366 -13.423 7.552) 18.565 4.567 ( -1.533 3.141 0.889) 3.607 4.782 ( -0.187 2.348 3.725) 4.408 4.837 ( 5.550 -2.508 -2.906) 6.748 5.230 ( -2.020 8.029 -0.172) 8.281 5.261 ( 3.087 -6.213 -4.324) 8.175 5.346 ( -0.485 -11.657 1.021) 11.712 5.402 ( -1.979 -3.495 -7.177) 8.224 5.648 ( -0.919 -2.008 5.373) 5.809 5.722 ( -2.038 -1.902 1.672) 3.250 5.831 ( -0.562 4.366 -4.020) 5.962 5.865 ( -6.161 6.251 -4.358) 9.799 6.080 ( -2.911 4.303 2.993) 5.996 6.105 ( 1.074 4.285 1.578) 4.691 6.218 ( -3.996 -0.170 3.548) 5.347 6.406 ( -3.541 1.365 -0.089) 3.796 6.555 ( 3.447 5.775 -5.780) 8.868 6.595 ( 4.344 -4.746 2.399) 6.867 6.764 ( 1.333 3.503 1.507) 4.040 6.826 ( -0.294 -0.774 0.411) 0.925 6.975 ( 0.119 -2.452 -0.220) 2.464 7.041 ( 3.689 5.180 0.681) 6.395 7.334 ( 10.148 -1.958 -2.348) 10.599 7.531 ( 10.304 2.991 2.901) 11.115 7.906 ( -3.366 -2.602 1.579) 4.538 8.012 ( -2.144 -7.310 -0.284) 7.623 8.114 ( 5.449 5.876 1.747) 8.202 8.320 ( -1.616 -1.612 -0.691) 2.385 8.420 ( -0.217 -4.400 -0.386) 4.422 8.514 ( -4.366 1.969 -0.913) 4.876 8.574 ( -4.342 -2.495 -0.932) 5.094 8.781 ( -2.394 1.811 -1.532) 3.370 8.864 ( 0.604 -1.793 4.759) 5.121 9.077 ( -4.807 -1.471 -2.904) 5.806 9.258 ( -2.881 -0.360 2.169) 3.624 9.338 ( -4.265 -2.855 -4.825) 7.044 9.530 ( -3.968 1.065 2.438) 4.778 9.660 ( -1.385 -0.726 0.479) 1.636 9.813 ( -1.910 3.904 0.548) 4.381 9.929 ( 4.251 3.817 0.369) 5.725 10.185 ( -3.217 1.711 -1.213) 3.841 10.494 ( 0.690 6.539 1.707) 6.794 10.546 ( -2.459 2.336 -1.837) 3.857 10.831 ( 3.527 -2.727 -0.486) 4.484 11.256 ( 12.250 1.443 -3.767) 12.897 11.339 ( 9.997 -3.690 1.996) 10.842 11.761 ( -5.049 0.713 -2.040) 5.492 11.972 ( -2.768 2.785 4.829) 6.224 12.122 ( -4.187 0.397 -0.103) 4.207 12.366 ( -1.913 -3.895 -0.116) 4.341 12.485 ( -5.387 8.696 -5.208) 11.479 12.765 ( -0.906 10.152 -0.299) 10.196 12.942 ( -0.666 3.976 3.415) 5.283 13.274 ( -5.421 3.548 0.653) 6.512 13.297 ( -2.370 -0.531 1.241) 2.727 13.513 ( -6.623 -2.572 -2.484) 7.526 13.611 ( -0.889 3.433 2.136) 4.140 13.788 ( 1.591 1.420 4.406) 4.895 14.131 ( -0.741 6.918 -3.561) 7.816 14.318 ( -9.584 2.998 -3.187) 10.535 14.794 ( 2.716 2.897 0.547) 4.009 14.837 ( 2.792 6.408 -2.604) 7.459 15.143 ( 4.274 -3.213 4.805) 7.189 15.328 ( 3.975 -4.087 0.655) 5.739 15.553 ( 4.413 -1.627 0.470) 4.727 15.712 ( 6.193 -1.192 1.298) 6.439 15.901 ( 3.586 -1.309 -0.209) 3.823 16.088 ( -0.880 -5.578 -2.538) 6.191 16.137 ( -6.105 -4.903 -1.193) 7.921 16.336 ( -1.215 1.685 -1.762) 2.724 16.435 ( -4.412 -2.160 2.631) 5.573 16.771 ( -5.382 -0.918 2.055) 5.834 16.977 ( -7.099 -1.917 0.117) 7.354 17.391 ( 0.919 0.055 -4.349) 4.445 17.513 ( -0.480 3.486 -1.166) 3.707 17.743 ( 0.275 -2.497 -1.923) 3.164 17.889 ( -4.512 -0.047 1.375) 4.717 18.188 ( -4.113 -2.174 8.368) 9.575 18.395 ( 4.915 -6.200 -2.662) 8.347 18.835 ( -2.504 1.717 0.493) 3.076 19.204 ( -5.514 5.815 2.021) 8.265 19.577 ( 7.221 4.512 -2.485) 8.870 19.772 ( 3.854 8.566 -1.025) 9.449 20.172 ( -7.288 0.521 -3.629) 8.158 20.349 ( -0.640 -0.453 2.486) 2.606 20.441 ( -0.447 1.204 -0.133) 1.291 21.295 ( 3.650 -1.463 -0.863) 4.026 21.451 ( -0.742 -3.332 2.367) 4.154 21.611 ( 0.563 -1.018 1.094) 1.597 21.660 ( 0.355 -1.207 0.502) 1.355 21.804 ( 5.326 0.304 -3.911) 6.615 22.250 ( 4.408 -5.709 0.716) 7.248 ======================= Grid point 24 (16/90) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 7.461 13.715 2.321) 15.785 2.788 ( 2.557 8.750 -1.358) 9.216 2.981 ( 6.699 19.006 5.369) 20.855 3.217 ( -0.509 16.448 1.242) 16.502 3.279 ( -4.779 7.164 -6.447) 10.758 3.416 ( -2.134 11.368 -1.893) 11.721 3.444 ( 3.346 11.593 -6.823) 13.861 3.539 ( -0.580 0.179 2.760) 2.826 3.658 ( -5.301 -5.827 3.548) 8.640 4.001 ( 3.357 -2.995 -3.062) 5.442 4.029 ( 3.028 -4.161 0.093) 5.147 4.137 ( 2.273 -2.142 3.549) 4.728 4.238 ( -1.627 -5.423 -5.479) 7.879 4.328 ( 7.675 7.398 0.714) 10.684 4.395 ( 5.494 0.222 1.446) 5.686 4.514 ( 0.172 -9.685 -0.688) 9.711 4.545 ( -0.394 -3.474 0.427) 3.522 4.635 ( -12.246 7.620 3.040) 14.741 4.801 ( 7.543 -0.658 4.811) 8.971 5.002 ( 9.118 -5.681 -0.071) 10.743 5.222 ( 0.993 13.135 2.232) 13.360 5.275 ( -6.051 -4.037 -1.962) 7.534 5.340 ( 4.532 0.455 -2.210) 5.063 5.388 ( 1.747 -11.492 -2.691) 11.931 5.621 ( -5.072 -3.003 0.389) 5.908 5.636 ( -2.090 1.791 0.829) 2.875 5.718 ( -5.558 -0.512 -2.307) 6.039 5.882 ( 6.192 3.666 -4.445) 8.458 6.001 ( -6.731 1.212 4.930) 8.431 6.137 ( 1.783 3.534 0.109) 3.960 6.215 ( 0.580 -0.584 1.212) 1.465 6.337 ( -2.710 0.064 0.156) 2.716 6.624 ( 5.349 4.993 -4.948) 8.833 6.663 ( 0.811 -5.282 3.941) 6.640 6.740 ( -2.581 1.713 0.532) 3.143 6.789 ( -2.597 -1.686 -0.076) 3.097 7.025 ( 3.248 -0.458 2.990) 4.439 7.077 ( 0.130 1.595 -2.583) 3.039 7.533 ( 10.936 -1.105 -1.894) 11.153 7.668 ( -0.513 -0.284 0.966) 1.130 7.820 ( -2.907 1.339 2.109) 3.833 8.037 ( 2.047 3.776 0.786) 4.366 8.228 ( 5.726 3.354 -0.157) 6.638 8.301 ( -0.273 -1.035 3.108) 3.287 8.375 ( -4.501 -2.214 -3.852) 6.324 8.403 ( -4.240 -4.543 1.221) 6.333 8.532 ( -0.331 0.091 -1.144) 1.195 8.757 ( -0.370 3.628 0.085) 3.648 8.872 ( -0.688 -2.034 0.961) 2.353 8.975 ( -2.868 -2.518 -2.141) 4.375 9.167 ( -4.603 -3.115 -0.984) 5.644 9.321 ( 1.603 3.276 -0.492) 3.680 9.474 ( -2.380 1.777 1.208) 3.207 9.621 ( -2.449 -0.967 2.248) 3.462 9.794 ( 0.744 1.862 -0.618) 2.098 9.980 ( -0.360 5.610 -0.052) 5.621 10.167 ( 1.325 1.859 -0.685) 2.383 10.476 ( -1.061 7.793 -1.223) 7.959 10.541 ( 0.656 -0.938 0.969) 1.499 10.858 ( 0.275 -3.241 -0.404) 3.278 11.420 ( 6.695 3.610 -2.183) 7.914 11.572 ( 10.675 -3.944 -0.023) 11.380 11.658 ( -4.423 1.568 0.276) 4.701 11.914 ( -5.666 1.892 2.204) 6.367 12.047 ( -2.238 -3.638 0.804) 4.346 12.346 ( -0.733 -2.852 1.750) 3.425 12.382 ( -2.410 9.993 -4.324) 11.152 12.746 ( -0.718 7.908 -0.239) 7.944 12.929 ( -1.249 4.827 1.114) 5.109 13.235 ( 0.401 1.027 0.051) 1.104 13.263 ( -1.836 -3.526 2.469) 4.680 13.397 ( -3.550 -1.779 -2.494) 4.689 13.610 ( -0.214 4.801 0.827) 4.877 13.876 ( 4.358 2.944 5.895) 7.900 14.059 ( -4.151 0.975 -7.852) 8.935 14.162 ( -4.352 11.275 1.095) 12.135 14.834 ( 0.434 3.929 6.044) 7.222 14.865 ( 1.759 7.755 -6.891) 10.522 15.240 ( 2.939 -6.552 2.356) 7.558 15.388 ( 1.637 -2.016 -0.134) 2.600 15.623 ( 2.294 -4.079 0.765) 4.742 15.811 ( 3.890 -5.010 -1.363) 6.488 15.982 ( 1.777 -1.204 1.522) 2.632 16.027 ( -1.602 -2.127 -1.049) 2.862 16.070 ( 0.934 -3.813 -0.843) 4.015 16.218 ( -8.797 0.156 2.054) 9.035 16.422 ( 0.840 1.090 -2.114) 2.522 16.686 ( -3.299 3.497 0.959) 4.902 16.885 ( -2.401 -4.356 0.219) 4.979 17.396 ( 0.756 0.457 -1.476) 1.720 17.498 ( -0.325 3.525 -0.858) 3.643 17.745 ( 0.422 -3.249 -1.028) 3.434 17.852 ( -0.267 1.483 0.129) 1.512 18.145 ( -2.998 -5.452 4.587) 7.730 18.462 ( 2.507 -7.016 -1.097) 7.531 18.806 ( -0.653 2.028 -0.315) 2.153 19.125 ( -2.927 4.975 1.004) 5.858 19.696 ( 5.693 6.275 -0.696) 8.502 19.792 ( -1.450 7.704 -0.558) 7.860 20.053 ( -3.077 3.846 -1.496) 5.148 20.351 ( -0.186 -0.819 1.253) 1.508 20.436 ( -0.067 0.607 -0.312) 0.686 21.356 ( 2.635 0.223 -0.657) 2.725 21.436 ( -1.406 -5.904 1.119) 6.172 21.588 ( -1.001 0.462 -0.464) 1.196 21.705 ( 1.505 -2.774 1.502) 3.495 21.863 ( 2.123 -0.500 -1.768) 2.808 22.314 ( 1.837 -5.381 0.258) 5.691 ======================= Grid point 28 (17/90) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 0.000 12.845 0.000) 12.845 2.738 ( 0.000 9.298 0.000) 9.298 3.052 ( 0.000 7.328 0.000) 7.328 3.145 ( 0.000 18.038 0.000) 18.038 3.268 ( 0.000 2.786 0.000) 2.786 3.476 ( 0.000 -1.945 0.000) 1.945 3.532 ( 0.000 -9.092 0.000) 9.092 3.725 ( 0.000 -19.522 0.000) 19.522 3.727 ( 0.000 0.886 0.000) 0.886 3.855 ( 0.000 0.900 0.000) 0.900 3.932 ( 0.000 -3.928 0.000) 3.928 3.933 ( 0.000 7.752 0.000) 7.752 4.142 ( 0.000 -1.569 0.000) 1.569 4.143 ( 0.000 1.535 0.000) 1.535 4.217 ( 0.000 12.131 0.000) 12.131 4.227 ( 0.000 -8.215 0.000) 8.215 4.328 ( 0.000 -3.649 0.000) 3.649 4.529 ( 0.000 -4.726 0.000) 4.726 4.605 ( 0.000 -6.714 0.000) 6.714 4.903 ( 0.000 -11.392 0.000) 11.392 5.087 ( 0.000 18.861 0.000) 18.861 5.356 ( 0.000 2.465 0.000) 2.465 5.442 ( 0.000 -10.319 0.000) 10.319 5.457 ( 0.000 -6.071 0.000) 6.071 5.658 ( 0.000 12.374 0.000) 12.374 5.719 ( 0.000 8.710 0.000) 8.710 5.872 ( 0.000 -6.641 0.000) 6.641 6.005 ( 0.000 1.550 0.000) 1.550 6.204 ( 0.000 1.587 0.000) 1.587 6.333 ( 0.000 1.314 0.000) 1.314 6.353 ( 0.000 6.217 0.000) 6.217 6.403 ( 0.000 3.038 0.000) 3.038 6.508 ( 0.000 1.305 0.000) 1.305 6.642 ( 0.000 -1.638 0.000) 1.638 6.790 ( 0.000 5.766 0.000) 5.766 6.858 ( 0.000 4.128 0.000) 4.128 6.998 ( 0.000 0.835 0.000) 0.835 7.043 ( 0.000 -8.509 0.000) 8.509 7.080 ( 0.000 9.923 0.000) 9.923 7.321 ( 0.000 3.575 0.000) 3.575 7.703 ( 0.000 -16.550 0.000) 16.550 7.745 ( 0.000 -10.925 0.000) 10.925 8.065 ( 0.000 2.142 0.000) 2.142 8.358 ( 0.000 1.975 0.000) 1.975 8.382 ( 0.000 -1.838 0.000) 1.838 8.679 ( 0.000 1.923 0.000) 1.923 8.691 ( 0.000 0.993 0.000) 0.993 8.744 ( 0.000 -0.386 0.000) 0.386 8.947 ( 0.000 0.285 0.000) 0.285 9.072 ( 0.000 -1.294 0.000) 1.294 9.316 ( 0.000 -1.827 0.000) 1.827 9.458 ( 0.000 -0.575 0.000) 0.575 9.604 ( 0.000 1.271 0.000) 1.271 9.613 ( 0.000 -0.371 0.000) 0.371 9.658 ( 0.000 -2.431 0.000) 2.431 10.166 ( 0.000 4.484 0.000) 4.484 10.296 ( 0.000 -0.232 0.000) 0.232 10.560 ( 0.000 2.001 0.000) 2.001 10.595 ( 0.000 -4.203 0.000) 4.203 10.650 ( 0.000 0.698 0.000) 0.698 11.039 ( 0.000 6.849 0.000) 6.849 11.165 ( 0.000 -3.631 0.000) 3.631 11.888 ( 0.000 0.024 0.000) 0.024 12.119 ( 0.000 5.716 0.000) 5.716 12.177 ( 0.000 -0.291 0.000) 0.291 12.299 ( 0.000 -6.777 0.000) 6.777 12.761 ( 0.000 2.395 0.000) 2.395 12.958 ( 0.000 5.046 0.000) 5.046 13.039 ( 0.000 2.813 0.000) 2.813 13.389 ( 0.000 4.187 0.000) 4.187 13.565 ( 0.000 2.967 0.000) 2.967 13.616 ( 0.000 -4.730 0.000) 4.730 13.718 ( 0.000 2.067 0.000) 2.067 13.777 ( 0.000 -2.786 0.000) 2.786 14.185 ( 0.000 6.900 0.000) 6.900 14.541 ( 0.000 -3.372 0.000) 3.372 14.596 ( 0.000 0.081 0.000) 0.081 14.751 ( 0.000 -2.334 0.000) 2.334 15.115 ( 0.000 -1.409 0.000) 1.409 15.420 ( 0.000 7.894 0.000) 7.894 15.473 ( 0.000 1.413 0.000) 1.413 15.508 ( 0.000 0.437 0.000) 0.437 15.778 ( 0.000 -1.747 0.000) 1.747 15.987 ( 0.000 -2.050 0.000) 2.050 16.157 ( 0.000 -2.068 0.000) 2.068 16.270 ( 0.000 -5.111 0.000) 5.111 16.528 ( 0.000 -0.245 0.000) 0.245 16.896 ( 0.000 0.976 0.000) 0.976 17.070 ( 0.000 -2.121 0.000) 2.121 17.365 ( 0.000 -1.742 0.000) 1.742 17.570 ( 0.000 1.388 0.000) 1.388 17.777 ( 0.000 -0.364 0.000) 0.364 18.061 ( 0.000 -0.643 0.000) 0.643 18.215 ( 0.000 0.868 0.000) 0.868 18.228 ( 0.000 -1.784 0.000) 1.784 18.952 ( 0.000 0.794 0.000) 0.794 19.447 ( 0.000 2.662 0.000) 2.662 19.456 ( 0.000 1.264 0.000) 1.264 19.759 ( 0.000 4.478 0.000) 4.478 20.236 ( 0.000 -3.815 0.000) 3.815 20.346 ( 0.000 -0.269 0.000) 0.269 20.509 ( 0.000 0.532 0.000) 0.532 21.187 ( 0.000 -2.403 0.000) 2.403 21.424 ( 0.000 0.375 0.000) 0.375 21.508 ( 0.000 0.461 0.000) 0.461 21.697 ( 0.000 0.461 0.000) 0.461 21.732 ( 0.000 0.013 0.000) 0.013 22.032 ( 0.000 -2.262 0.000) 2.262 ======================= Grid point 29 (18/90) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 10.178 11.022 4.153) 15.567 2.815 ( 8.254 10.792 -1.651) 13.687 3.069 ( 4.055 5.371 -3.717) 7.688 3.187 ( 2.570 19.623 5.457) 20.529 3.408 ( -2.967 0.429 -5.071) 5.891 3.427 ( 8.077 -1.532 1.423) 8.343 3.551 ( 3.126 -5.413 0.007) 6.251 3.608 ( -0.825 -1.853 -3.230) 3.814 3.748 ( 3.009 -15.853 -4.302) 16.700 3.879 ( -1.157 -3.060 0.852) 3.380 3.933 ( -2.855 9.743 5.486) 11.540 4.096 ( 7.838 -3.954 6.249) 10.776 4.117 ( -1.416 3.270 0.815) 3.655 4.141 ( -0.640 -3.191 -0.915) 3.381 4.228 ( 1.733 0.019 -2.229) 2.823 4.284 ( 5.499 5.182 -0.924) 7.612 4.353 ( 7.836 -3.610 -2.243) 8.914 4.523 ( -1.079 -5.120 -0.049) 5.233 4.621 ( 1.106 -5.946 1.348) 6.197 4.899 ( 1.092 -9.766 -4.519) 10.816 5.082 ( -1.423 13.590 2.124) 13.828 5.283 ( -6.109 -2.888 -0.447) 6.772 5.405 ( -2.767 -5.147 -0.731) 5.889 5.465 ( 0.560 2.337 -0.796) 2.531 5.684 ( -4.264 2.163 4.958) 6.888 5.687 ( 2.842 8.875 -1.692) 9.472 5.890 ( 1.313 -4.748 0.592) 4.961 6.023 ( 1.165 3.966 -1.220) 4.310 6.181 ( -1.856 0.336 -1.009) 2.139 6.291 ( -3.761 7.615 0.965) 8.548 6.321 ( -5.970 0.618 4.416) 7.452 6.433 ( 3.921 2.461 1.500) 4.867 6.505 ( -3.017 -2.297 -1.520) 4.085 6.619 ( 2.495 2.083 -6.036) 6.855 6.737 ( -2.919 1.223 -0.257) 3.175 6.907 ( -1.953 -3.660 -2.617) 4.905 6.989 ( 5.850 9.602 -1.441) 11.336 7.090 ( 0.933 5.754 4.029) 7.086 7.138 ( 6.192 -3.087 -1.617) 7.106 7.402 ( 7.488 1.970 2.528) 8.145 7.719 ( 1.072 -14.517 3.069) 14.877 7.768 ( 1.989 -8.220 3.976) 9.345 8.104 ( 3.639 1.928 1.615) 4.424 8.354 ( -0.236 1.486 -2.417) 2.847 8.361 ( -1.292 -2.006 -2.211) 3.253 8.639 ( -2.777 1.163 -3.463) 4.589 8.649 ( -3.938 0.946 1.574) 4.346 8.793 ( 1.865 -0.032 6.567) 6.827 8.860 ( -4.900 -0.642 -3.430) 6.015 9.133 ( 2.907 1.666 1.639) 3.730 9.250 ( -3.757 -3.533 -5.617) 7.625 9.412 ( -5.200 -0.771 -2.509) 5.825 9.600 ( -2.201 1.102 4.067) 4.754 9.633 ( 0.698 -1.469 0.305) 1.655 9.742 ( 10.892 0.515 -3.257) 11.380 10.074 ( -9.295 2.707 4.393) 10.631 10.266 ( -3.242 -0.113 0.431) 3.272 10.550 ( -1.393 1.379 1.454) 2.440 10.639 ( 3.317 0.227 -2.228) 4.002 10.700 ( 4.515 -0.955 -0.104) 4.616 11.085 ( 5.377 4.173 0.197) 6.809 11.189 ( 3.803 -2.861 -2.434) 5.345 11.855 ( -2.777 0.186 -2.012) 3.434 12.093 ( -3.106 4.203 0.993) 5.320 12.176 ( -0.567 -0.044 -0.397) 0.694 12.286 ( -0.755 -5.423 -0.971) 5.561 12.726 ( -3.390 3.300 0.145) 4.733 12.954 ( -0.461 4.650 -0.591) 4.710 13.011 ( -2.875 1.812 0.395) 3.421 13.360 ( -3.103 2.546 1.486) 4.280 13.501 ( -8.097 2.918 0.247) 8.610 13.566 ( -6.224 -4.323 -0.607) 7.603 13.678 ( -1.163 2.027 5.660) 6.124 13.760 ( -0.866 -1.224 1.938) 2.450 14.234 ( 3.974 3.999 -9.147) 10.745 14.496 ( -2.748 2.243 -0.292) 3.559 14.712 ( 10.692 -1.794 -3.172) 11.296 14.798 ( 3.714 -1.196 3.477) 5.226 15.090 ( -3.875 -1.424 9.037) 9.935 15.312 ( -5.628 3.655 -2.825) 7.281 15.505 ( 4.141 2.167 -1.747) 4.989 15.602 ( 4.089 0.456 1.897) 4.531 15.807 ( 3.045 -1.033 0.426) 3.243 16.021 ( 3.134 -1.169 -5.031) 6.042 16.116 ( -3.389 -4.545 -3.526) 6.676 16.284 ( 2.057 -2.588 1.825) 3.776 16.494 ( -3.941 -0.109 1.633) 4.267 16.847 ( -5.863 0.457 5.728) 8.209 17.049 ( -3.019 -1.644 0.416) 3.463 17.376 ( 2.658 -0.909 -7.065) 7.603 17.578 ( 0.677 1.781 0.063) 1.907 17.737 ( -3.464 -1.046 -0.142) 3.621 17.984 ( -6.686 -0.570 0.817) 6.760 18.216 ( -1.893 0.609 4.380) 4.810 18.250 ( 2.565 -2.018 -1.793) 3.724 18.914 ( -3.316 0.687 0.571) 3.434 19.397 ( -5.130 2.843 1.714) 6.110 19.512 ( 5.675 1.005 -1.326) 5.914 19.828 ( 6.555 5.005 -1.599) 8.400 20.205 ( -2.638 -3.971 -2.956) 5.610 20.345 ( -0.675 -0.177 2.386) 2.486 20.497 ( -1.116 0.950 0.235) 1.485 21.201 ( 1.776 -1.793 -0.871) 2.670 21.431 ( -0.764 -0.101 2.352) 2.475 21.525 ( 2.090 -0.341 1.954) 2.882 21.702 ( -2.263 0.019 -1.929) 2.974 21.739 ( 4.696 0.583 -3.408) 5.832 22.076 ( 3.783 -2.177 1.837) 4.736 ======================= Grid point 30 (19/90) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 8.223 7.174 3.965) 11.610 2.967 ( 4.695 13.549 -2.566) 14.567 3.133 ( 3.777 -2.806 -1.113) 4.835 3.261 ( 5.203 13.719 4.141) 15.245 3.391 ( -1.837 1.150 -1.137) 2.448 3.475 ( 8.659 3.680 -1.438) 9.518 3.610 ( 2.933 1.603 -0.855) 3.450 3.763 ( 6.320 5.211 0.672) 8.219 3.798 ( 6.701 -7.466 -11.554) 15.302 3.863 ( -4.858 9.362 3.652) 11.162 3.910 ( 1.984 -4.000 5.821) 7.336 4.073 ( -0.218 0.643 -2.331) 2.428 4.101 ( -3.417 -6.465 0.304) 7.319 4.152 ( 1.055 -8.461 -2.706) 8.945 4.275 ( 1.110 -9.346 2.489) 9.735 4.411 ( 7.147 11.412 -0.252) 13.467 4.467 ( -3.965 -4.068 2.185) 6.086 4.618 ( 11.712 0.263 -0.267) 11.718 4.698 ( 10.899 -5.777 -0.983) 12.375 4.914 ( 1.154 -1.257 -0.890) 1.924 5.061 ( 0.933 -2.340 -0.431) 2.555 5.152 ( -7.321 -6.090 0.476) 9.535 5.368 ( -1.825 0.142 1.228) 2.204 5.471 ( 0.784 9.402 0.985) 9.486 5.636 ( -2.063 -1.081 2.354) 3.311 5.726 ( 0.682 4.815 0.065) 4.864 5.894 ( -2.638 -3.432 0.920) 4.425 6.003 ( -1.582 7.346 -4.014) 8.520 6.122 ( -4.408 -0.739 0.602) 4.510 6.219 ( -4.524 5.525 2.714) 7.639 6.241 ( -3.279 2.465 2.776) 4.953 6.406 ( -3.810 -4.031 -5.134) 7.558 6.494 ( 1.573 0.502 0.033) 1.651 6.660 ( -4.135 -3.985 2.061) 6.101 6.688 ( 5.595 2.054 -9.998) 11.640 6.900 ( 2.692 -3.551 0.132) 4.458 7.000 ( -4.724 8.395 6.973) 11.892 7.125 ( 0.738 2.383 -0.910) 2.655 7.321 ( 13.477 1.013 -3.442) 13.946 7.565 ( 6.601 -2.719 1.127) 7.228 7.778 ( 2.798 -4.508 7.314) 9.036 7.873 ( 6.680 -4.443 5.852) 9.931 8.207 ( 5.360 2.295 3.513) 6.807 8.310 ( -2.251 0.280 -4.470) 5.013 8.332 ( -0.429 -2.824 -1.649) 3.299 8.519 ( -7.980 -0.084 -4.538) 9.181 8.593 ( -2.249 1.518 0.823) 2.835 8.799 ( -0.178 0.002 -2.115) 2.123 8.844 ( 0.291 -0.189 4.599) 4.612 9.071 ( -6.790 0.425 -5.892) 9.000 9.247 ( -1.562 -0.157 1.047) 1.887 9.273 ( -1.788 -2.702 -3.565) 4.817 9.558 ( -3.482 1.042 2.805) 4.591 9.646 ( -0.558 -0.478 2.004) 2.134 9.898 ( -5.436 3.535 1.674) 6.697 9.981 ( 9.237 0.689 -0.397) 9.272 10.187 ( -4.810 -0.568 0.158) 4.846 10.523 ( -1.881 -0.556 1.222) 2.311 10.660 ( 0.259 5.584 -2.623) 6.175 10.767 ( 1.927 -3.342 -0.837) 3.947 11.253 ( 11.561 -0.840 2.377) 11.833 11.307 ( 10.131 -0.059 -4.004) 10.894 11.779 ( -4.052 0.683 -1.520) 4.381 12.022 ( -4.511 1.565 1.539) 5.017 12.122 ( -5.480 0.121 -0.745) 5.532 12.273 ( 0.168 -3.412 -1.762) 3.843 12.655 ( -3.886 5.640 0.474) 6.865 12.915 ( -3.594 3.869 -0.684) 5.325 12.966 ( -1.502 -0.770 0.945) 1.934 13.289 ( -8.260 0.447 5.472) 9.918 13.331 ( -5.689 1.358 -1.156) 5.962 13.433 ( -5.202 -3.333 -3.124) 6.923 13.709 ( -0.047 4.400 2.747) 5.187 13.789 ( 2.304 -1.337 8.310) 8.727 14.190 ( -2.259 0.169 -13.694) 13.880 14.432 ( -4.179 5.567 0.327) 6.969 14.886 ( 5.357 4.352 0.764) 6.944 14.926 ( 9.859 1.237 -0.723) 9.963 15.090 ( -0.871 -2.367 10.166) 10.475 15.244 ( 0.052 -2.077 -2.595) 3.325 15.572 ( 3.140 2.273 -0.804) 3.959 15.665 ( 2.549 -2.496 -0.131) 3.570 15.895 ( 5.497 0.077 0.682) 5.540 15.990 ( -3.158 -2.857 -4.973) 6.547 16.041 ( -2.304 -3.342 -2.802) 4.932 16.361 ( 3.041 0.240 1.030) 3.219 16.399 ( -6.592 -0.643 3.744) 7.608 16.771 ( -3.862 0.463 3.789) 5.430 16.950 ( -6.707 -0.778 -0.909) 6.813 17.392 ( 2.462 0.022 -6.578) 7.023 17.585 ( 0.029 3.223 -0.600) 3.278 17.682 ( -1.687 -3.015 -0.259) 3.465 17.879 ( -3.954 -0.515 1.736) 4.349 18.166 ( -6.048 -0.308 6.381) 8.797 18.304 ( 3.989 -2.379 -2.687) 5.366 18.861 ( -2.054 0.694 -0.333) 2.193 19.289 ( -6.633 2.215 2.178) 7.325 19.639 ( 7.953 1.503 -0.780) 8.131 19.939 ( 4.754 6.893 -1.567) 8.519 20.118 ( -4.086 -4.391 -3.998) 7.209 20.343 ( -0.943 -0.130 2.983) 3.131 20.477 ( -0.967 1.396 0.188) 1.709 21.243 ( 2.862 -2.212 -1.082) 3.775 21.413 ( -1.914 -0.579 2.378) 3.107 21.597 ( 3.565 -0.397 2.212) 4.214 21.648 ( -2.070 -0.064 -1.505) 2.560 21.815 ( 4.597 0.393 -3.629) 5.870 22.167 ( 4.320 -2.137 1.605) 5.080 ======================= Grid point 31 (20/90) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 4.153 3.284 2.554) 5.878 2.911 ( -4.620 4.976 -3.381) 7.586 3.279 ( 7.211 3.918 2.736) 8.650 3.349 ( -1.168 0.019 0.158) 1.179 3.382 ( 3.657 5.909 0.412) 6.961 3.590 ( 1.554 8.113 -1.153) 8.340 3.684 ( -1.198 11.058 -0.289) 11.126 3.763 ( 3.416 15.507 1.933) 15.996 3.832 ( 0.949 12.990 4.193) 13.683 3.894 ( 5.104 -1.974 -11.951) 13.145 3.960 ( 2.305 -3.514 -2.653) 4.970 4.021 ( -4.381 -10.559 4.080) 12.138 4.091 ( -0.581 -0.620 2.780) 2.907 4.183 ( 2.866 -11.293 -3.124) 12.063 4.280 ( -0.846 -11.013 1.300) 11.122 4.346 ( -4.985 -13.853 -0.208) 14.724 4.606 ( 10.478 8.470 -0.504) 13.483 4.763 ( 2.261 3.919 2.579) 5.208 4.801 ( -3.488 1.863 0.307) 3.967 4.933 ( 5.150 -2.013 -1.824) 5.823 5.032 ( -5.446 -10.756 0.597) 12.071 5.244 ( 14.862 -4.969 -0.712) 15.687 5.315 ( -3.136 -0.111 1.093) 3.323 5.507 ( -0.500 6.644 1.470) 6.823 5.637 ( 0.889 2.933 1.725) 3.517 5.660 ( -7.024 0.847 2.475) 7.495 5.791 ( -5.154 5.334 -3.720) 8.298 5.985 ( 2.607 5.813 -4.268) 7.668 6.057 ( -3.612 1.404 2.727) 4.738 6.170 ( -1.458 -1.598 3.309) 3.953 6.207 ( -1.500 0.930 -0.232) 1.780 6.347 ( -0.571 0.510 -2.396) 2.515 6.495 ( -0.958 -4.333 -1.263) 4.614 6.573 ( -2.513 -7.518 -0.532) 7.944 6.782 ( 6.972 3.467 -6.698) 10.271 6.906 ( -6.305 4.836 6.760) 10.432 6.978 ( 1.526 -3.224 2.104) 4.141 7.131 ( 0.947 2.824 -1.523) 3.346 7.531 ( 8.473 1.510 -1.604) 8.755 7.611 ( -0.951 -4.502 -0.533) 4.632 7.876 ( 2.370 2.957 5.628) 6.785 8.059 ( 9.673 -1.391 4.894) 10.929 8.218 ( -2.179 0.007 -2.123) 3.042 8.278 ( -7.724 -3.474 -1.079) 8.538 8.364 ( 5.377 2.076 2.204) 6.170 8.374 ( -1.659 -0.002 -2.474) 2.979 8.553 ( -1.874 0.979 -2.376) 3.181 8.800 ( 0.461 0.708 -0.798) 1.162 8.852 ( -0.555 -0.194 1.376) 1.496 8.932 ( -4.135 -1.331 -2.711) 5.121 9.111 ( -4.676 -1.629 -2.067) 5.365 9.373 ( 5.556 1.369 0.643) 5.758 9.514 ( -1.945 1.496 1.192) 2.728 9.601 ( -4.928 -0.787 3.388) 6.031 9.826 ( -0.633 0.954 -1.227) 1.678 10.075 ( -1.918 3.203 0.044) 3.734 10.169 ( 3.731 -1.026 -0.004) 3.869 10.509 ( 0.266 -1.303 -0.395) 1.387 10.640 ( -1.035 7.321 -0.664) 7.423 10.770 ( -0.400 -5.156 -0.580) 5.204 11.475 ( 7.217 1.501 -2.027) 7.645 11.499 ( 11.076 -2.195 1.110) 11.346 11.702 ( -3.297 1.636 0.351) 3.697 11.950 ( -5.460 1.200 1.314) 5.742 11.983 ( -4.873 -1.926 -1.106) 5.356 12.273 ( 0.449 -2.498 -1.218) 2.815 12.597 ( -2.021 8.286 0.235) 8.532 12.849 ( -2.275 1.430 -0.088) 2.688 12.953 ( -0.384 -1.506 0.472) 1.624 13.152 ( -5.241 -2.586 2.404) 6.319 13.284 ( -0.914 1.127 -0.069) 1.453 13.362 ( -1.153 -1.210 -1.904) 2.533 13.708 ( -0.325 3.309 0.604) 3.379 13.904 ( 4.075 0.206 12.053) 12.725 14.055 ( -4.378 -0.420 -13.679) 14.369 14.363 ( -2.459 6.066 0.257) 6.551 14.957 ( 1.632 7.318 1.551) 7.657 15.060 ( 4.182 7.283 -0.776) 8.434 15.118 ( -0.087 -3.475 1.933) 3.977 15.276 ( 2.283 -8.217 0.569) 8.547 15.610 ( 1.096 2.275 -0.098) 2.527 15.702 ( 1.451 -4.887 -0.660) 5.140 15.896 ( -1.755 -3.570 -2.984) 4.973 15.990 ( -1.663 -1.848 -0.387) 2.516 16.044 ( 7.518 0.400 -0.187) 7.531 16.240 ( -9.339 0.888 3.251) 9.928 16.421 ( 1.027 -0.532 0.584) 1.296 16.743 ( -0.547 1.709 0.363) 1.831 16.837 ( -3.540 -0.838 -0.813) 3.728 17.404 ( 1.065 0.243 -2.439) 2.672 17.577 ( -0.355 4.073 -0.221) 4.095 17.666 ( -0.219 -4.190 -0.272) 4.204 17.870 ( 1.775 0.296 -0.200) 1.811 18.070 ( -5.558 -1.743 4.073) 7.108 18.356 ( 1.997 -2.861 -1.196) 3.688 18.838 ( -0.316 0.880 -0.628) 1.126 19.197 ( -3.295 1.872 1.349) 4.023 19.785 ( 7.052 2.207 0.722) 7.425 19.929 ( -4.527 4.774 -2.369) 6.992 20.073 ( 0.619 -1.117 -1.090) 1.679 20.339 ( -0.520 -0.307 1.370) 1.497 20.466 ( -0.301 1.461 0.020) 1.492 21.284 ( 1.530 -3.983 -0.578) 4.305 21.392 ( -1.033 0.182 0.980) 1.436 21.608 ( -0.812 0.829 -0.464) 1.250 21.666 ( 1.674 -0.965 1.110) 2.228 21.864 ( 1.753 0.151 -1.623) 2.394 22.233 ( 1.840 -2.141 0.585) 2.883 ======================= Grid point 63 (21/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 8.456 0.000 35.601) 36.592 0.714 ( -1.199 0.000 39.061) 39.079 1.176 ( -12.146 0.000 63.370) 64.523 2.214 ( -3.101 0.000 -16.541) 16.829 2.640 ( -0.597 0.000 -24.543) 24.550 3.136 ( 11.635 0.000 -2.792) 11.965 3.215 ( -9.767 0.000 -1.061) 9.824 3.404 ( 8.401 0.000 7.244) 11.093 3.605 ( -11.709 0.000 8.848) 14.676 3.866 ( 6.321 0.000 -15.228) 16.488 3.948 ( 10.797 0.000 5.120) 11.949 4.099 ( -3.375 0.000 -10.106) 10.655 4.114 ( 1.385 0.000 -1.123) 1.783 4.373 ( -4.959 0.000 3.364) 5.992 4.486 ( 0.838 0.000 8.472) 8.513 4.496 ( 0.862 0.000 -8.071) 8.117 4.547 ( -3.675 0.000 -5.549) 6.656 4.928 ( -2.127 0.000 5.009) 5.442 4.936 ( -0.030 0.000 -4.363) 4.363 5.048 ( 2.520 0.000 -4.618) 5.261 5.139 ( 1.682 0.000 -6.112) 6.339 5.180 ( 2.598 0.000 3.261) 4.170 5.363 ( 1.922 0.000 3.075) 3.627 5.396 ( -20.014 0.000 4.763) 20.573 5.618 ( -0.040 0.000 -0.337) 0.339 5.700 ( 0.553 0.000 -0.673) 0.871 5.713 ( -7.935 0.000 -7.702) 11.058 5.860 ( -0.574 0.000 -5.999) 6.026 6.024 ( 7.491 0.000 12.292) 14.394 6.043 ( 2.421 0.000 0.006) 2.421 6.297 ( -0.377 0.000 -4.078) 4.095 6.382 ( -0.815 0.000 -2.531) 2.659 6.402 ( -1.236 0.000 -0.700) 1.421 6.423 ( -4.132 0.000 -0.691) 4.189 6.714 ( -5.585 0.000 10.266) 11.687 7.061 ( 1.788 0.000 2.123) 2.776 7.116 ( 0.692 0.000 3.213) 3.286 7.188 ( 0.493 0.000 -2.916) 2.957 7.243 ( 4.380 0.000 -5.565) 7.082 7.374 ( -2.101 0.000 -2.260) 3.086 7.849 ( 3.458 0.000 1.525) 3.779 7.883 ( -8.707 0.000 1.361) 8.813 8.131 ( -0.569 0.000 5.523) 5.552 8.280 ( 6.054 0.000 0.837) 6.111 8.513 ( -0.417 0.000 -2.328) 2.365 8.632 ( 0.847 0.000 -7.518) 7.566 8.799 ( 7.225 0.000 -1.732) 7.429 8.912 ( -0.377 0.000 -1.251) 1.307 9.066 ( -8.848 0.000 5.971) 10.674 9.164 ( 2.149 0.000 -1.943) 2.898 9.320 ( -2.597 0.000 -0.208) 2.606 9.500 ( 6.140 0.000 -0.990) 6.219 9.519 ( -6.129 0.000 4.976) 7.895 9.720 ( -10.479 0.000 0.343) 10.485 9.760 ( 2.448 0.000 3.677) 4.417 9.969 ( 0.141 0.000 -2.438) 2.442 10.045 ( -3.931 0.000 10.625) 11.329 10.155 ( -1.576 0.000 2.489) 2.946 10.481 ( 3.448 0.000 -4.918) 6.006 10.673 ( 1.369 0.000 -4.275) 4.489 10.807 ( 3.198 0.000 0.380) 3.220 11.039 ( -1.901 0.000 -3.674) 4.137 11.786 ( -1.951 0.000 1.071) 2.226 11.911 ( 1.776 0.000 -2.051) 2.713 12.197 ( 2.083 0.000 1.320) 2.466 12.345 ( -5.125 0.000 -2.863) 5.870 12.538 ( 2.482 0.000 -0.302) 2.501 12.548 ( 1.481 0.000 -1.951) 2.449 12.746 ( 1.985 0.000 6.593) 6.885 13.007 ( 17.990 0.000 -1.866) 18.087 13.040 ( 3.822 0.000 3.929) 5.482 13.358 ( -2.791 0.000 -4.198) 5.041 13.833 ( -1.499 0.000 0.812) 1.705 13.971 ( -18.700 0.000 -3.204) 18.972 14.219 ( -7.448 0.000 4.191) 8.546 14.319 ( 6.653 0.000 4.582) 8.078 14.640 ( -6.672 0.000 -6.295) 9.173 14.831 ( 28.709 0.000 -3.806) 28.960 14.981 ( -4.091 0.000 10.698) 11.454 15.332 ( 0.097 0.000 -0.817) 0.822 15.345 ( 0.139 0.000 -0.717) 0.731 15.563 ( 34.793 0.000 -8.393) 35.791 15.968 ( -1.754 0.000 1.529) 2.327 16.011 ( 6.184 0.000 1.360) 6.332 16.386 ( 1.841 0.000 -1.295) 2.251 16.425 ( -0.710 0.000 -1.430) 1.596 16.875 ( -6.254 0.000 3.143) 6.999 16.973 ( 1.397 0.000 -1.579) 2.108 17.241 ( 1.889 0.000 4.295) 4.692 17.573 ( -20.993 0.000 3.147) 21.227 17.773 ( 1.752 0.000 -7.152) 7.364 17.863 ( -15.826 0.000 10.775) 19.146 17.943 ( 0.753 0.000 -7.318) 7.356 18.467 ( 9.372 0.000 -1.340) 9.467 18.588 ( 33.164 0.000 -0.165) 33.165 18.686 ( 0.810 0.000 -5.821) 5.877 18.875 ( -6.761 0.000 5.303) 8.593 19.230 ( 0.681 0.000 -2.818) 2.899 19.555 ( -4.441 0.000 6.164) 7.597 19.897 ( -3.519 0.000 -4.013) 5.337 20.398 ( 0.804 0.000 0.803) 1.137 20.445 ( -1.683 0.000 -0.192) 1.694 21.482 ( 0.772 0.000 0.196) 0.797 21.498 ( -44.252 0.000 -0.047) 44.252 21.615 ( -2.829 0.000 1.224) 3.083 21.703 ( 1.149 0.000 -0.966) 1.501 21.824 ( 5.890 0.000 0.285) 5.897 21.861 ( 2.246 0.000 -0.546) 2.312 ======================= Grid point 64 (22/90) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 17.168 0.000 31.462) 35.841 1.075 ( 14.881 0.000 33.039) 36.235 1.789 ( 40.842 0.000 40.394) 57.443 2.223 ( 11.468 0.000 -23.063) 25.757 2.548 ( 3.937 0.000 -25.293) 25.598 3.012 ( -8.185 0.000 -1.443) 8.311 3.358 ( -16.239 0.000 6.606) 17.532 3.378 ( 13.129 0.000 0.393) 13.135 3.506 ( -1.665 0.000 10.113) 10.249 3.886 ( -12.164 0.000 -1.433) 12.248 4.073 ( -3.961 0.000 -7.145) 8.170 4.092 ( 21.367 0.000 -23.658) 31.879 4.195 ( 10.914 0.000 8.489) 13.827 4.304 ( -5.953 0.000 12.051) 13.442 4.385 ( -5.982 0.000 -12.370) 13.740 4.503 ( 2.613 0.000 -7.056) 7.524 4.561 ( 3.173 0.000 8.897) 9.445 4.784 ( -9.339 0.000 -3.731) 10.057 4.808 ( -8.221 0.000 -3.435) 8.910 5.098 ( 5.625 0.000 -3.986) 6.894 5.218 ( 3.687 0.000 7.598) 8.445 5.263 ( 4.399 0.000 -1.588) 4.677 5.402 ( 4.993 0.000 -0.626) 5.032 5.467 ( -9.112 0.000 -10.511) 13.911 5.490 ( 6.522 0.000 8.019) 10.336 5.558 ( -4.061 0.000 2.026) 4.538 5.761 ( 4.403 0.000 -4.601) 6.368 5.850 ( 4.126 0.000 -5.145) 6.595 6.006 ( -4.996 0.000 1.037) 5.103 6.156 ( 0.443 0.000 -3.044) 3.076 6.319 ( 0.106 0.000 2.974) 2.976 6.328 ( -1.866 0.000 5.013) 5.349 6.366 ( 4.814 0.000 3.861) 6.170 6.470 ( 3.654 0.000 -4.771) 6.010 6.786 ( 4.355 0.000 8.456) 9.511 7.018 ( -4.598 0.000 2.746) 5.356 7.163 ( -2.129 0.000 -3.131) 3.787 7.178 ( 2.166 0.000 4.081) 4.620 7.309 ( 3.913 0.000 -6.835) 7.876 7.389 ( 6.727 0.000 -2.573) 7.203 7.728 ( -6.220 0.000 -2.461) 6.689 7.933 ( 2.717 0.000 3.252) 4.238 8.129 ( -2.905 0.000 6.629) 7.237 8.379 ( 1.816 0.000 -1.819) 2.570 8.399 ( -8.117 0.000 2.435) 8.474 8.588 ( -1.808 0.000 -7.930) 8.134 8.832 ( -4.717 0.000 -2.831) 5.502 8.917 ( -6.301 0.000 0.924) 6.368 8.936 ( 6.706 0.000 3.461) 7.546 9.188 ( -0.488 0.000 -0.852) 0.982 9.263 ( -0.470 0.000 -1.861) 1.919 9.388 ( -9.090 0.000 6.229) 11.020 9.547 ( -1.668 0.000 2.479) 2.988 9.680 ( 1.206 0.000 4.024) 4.201 9.804 ( 0.151 0.000 -0.912) 0.925 9.908 ( -4.732 0.000 -2.275) 5.251 9.984 ( -6.949 0.000 10.803) 12.845 10.194 ( 2.611 0.000 4.490) 5.194 10.439 ( -3.232 0.000 -5.744) 6.591 10.753 ( 4.264 0.000 -8.577) 9.578 11.026 ( 16.741 0.000 -5.420) 17.596 11.029 ( 3.672 0.000 -4.325) 5.673 11.742 ( -2.780 0.000 0.416) 2.811 11.944 ( 2.379 0.000 -1.070) 2.608 12.227 ( -5.407 0.000 -2.915) 6.142 12.241 ( 1.056 0.000 3.973) 4.111 12.533 ( -2.512 0.000 -2.106) 3.278 12.538 ( -0.626 0.000 -1.514) 1.638 12.791 ( -0.301 0.000 3.528) 3.541 12.959 ( -14.914 0.000 0.938) 14.943 13.156 ( 5.112 0.000 6.280) 8.098 13.276 ( -2.512 0.000 -6.389) 6.865 13.672 ( -9.203 0.000 9.992) 13.584 13.770 ( -4.648 0.000 1.821) 4.992 14.068 ( -9.286 0.000 -0.196) 9.288 14.249 ( -10.076 0.000 5.808) 11.630 14.673 ( 5.561 0.000 -6.057) 8.223 15.019 ( 4.931 0.000 3.507) 6.051 15.152 ( 12.347 0.000 -5.118) 13.366 15.342 ( 2.697 0.000 -2.402) 3.612 15.361 ( 2.696 0.000 1.599) 3.134 15.853 ( 4.783 0.000 -13.364) 14.194 15.969 ( 1.248 0.000 0.237) 1.270 16.248 ( 4.220 0.000 -4.052) 5.851 16.387 ( -2.611 0.000 -1.884) 3.220 16.529 ( 13.349 0.000 -6.603) 14.893 16.719 ( -11.824 0.000 2.156) 12.020 16.935 ( -5.348 0.000 -0.593) 5.381 17.032 ( -23.936 0.000 17.858) 29.864 17.293 ( -0.364 0.000 6.352) 6.363 17.665 ( -9.013 0.000 -7.646) 11.819 17.773 ( -2.451 0.000 4.277) 4.930 17.865 ( -3.580 0.000 -4.569) 5.805 18.530 ( 3.571 0.000 -2.188) 4.188 18.730 ( -1.052 0.000 -8.383) 8.449 18.900 ( 7.647 0.000 7.343) 10.601 18.932 ( 8.802 0.000 -7.050) 11.277 19.285 ( -3.618 0.000 5.094) 6.248 19.495 ( -3.786 0.000 3.214) 4.967 19.503 ( -15.654 0.000 15.277) 21.873 20.414 ( 0.361 0.000 2.053) 2.084 20.421 ( 0.205 0.000 -1.473) 1.487 21.198 ( 2.202 0.000 6.390) 6.759 21.514 ( 0.581 0.000 0.520) 0.780 21.591 ( -1.117 0.000 -0.139) 1.126 21.754 ( 4.713 0.000 -1.735) 5.022 21.947 ( 6.335 0.000 4.173) 7.586 22.180 ( 19.805 0.000 -15.699) 25.273 ======================= Grid point 65 (23/90) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 21.434 0.000 22.742) 31.251 1.574 ( 22.090 0.000 22.842) 31.776 2.331 ( 10.629 0.000 -19.913) 22.572 2.504 ( 9.440 0.000 -17.214) 19.633 2.826 ( 38.465 0.000 20.011) 43.359 2.861 ( -9.928 0.000 -5.468) 11.335 3.027 ( -15.699 0.000 8.173) 17.699 3.510 ( -3.010 0.000 8.249) 8.782 3.653 ( 11.657 0.000 2.283) 11.878 3.698 ( -2.314 0.000 4.235) 4.826 3.947 ( -5.775 0.000 -2.909) 6.466 4.174 ( -7.420 0.000 -11.181) 13.419 4.238 ( -3.540 0.000 2.581) 4.381 4.358 ( 9.914 0.000 -14.427) 17.505 4.402 ( 5.465 0.000 3.996) 6.770 4.548 ( -9.919 0.000 0.257) 9.923 4.588 ( 11.535 0.000 -14.989) 18.914 4.677 ( -2.132 0.000 -1.744) 2.754 4.720 ( 3.086 0.000 11.950) 12.342 5.115 ( -16.511 0.000 -5.004) 17.253 5.221 ( 7.996 0.000 -0.455) 8.009 5.268 ( -2.828 0.000 7.070) 7.614 5.327 ( -0.208 0.000 -1.764) 1.776 5.479 ( -3.405 0.000 1.418) 3.689 5.539 ( 7.981 0.000 -7.225) 10.766 5.666 ( 6.136 0.000 5.369) 8.153 5.818 ( 4.518 0.000 -4.119) 6.114 5.903 ( -0.269 0.000 -7.213) 7.218 5.982 ( 6.096 0.000 -0.417) 6.110 6.090 ( -2.676 0.000 -7.543) 8.004 6.250 ( -4.447 0.000 -3.803) 5.851 6.315 ( -1.046 0.000 -0.911) 1.387 6.506 ( 1.443 0.000 -1.046) 1.782 6.574 ( 8.461 0.000 11.003) 13.880 6.916 ( 4.154 0.000 8.282) 9.266 6.958 ( -2.364 0.000 4.491) 5.076 7.068 ( -5.425 0.000 -5.418) 7.667 7.211 ( -1.240 0.000 4.978) 5.130 7.370 ( 6.438 0.000 -6.895) 9.433 7.518 ( 6.060 0.000 -3.490) 6.994 7.678 ( 2.428 0.000 0.486) 2.476 7.956 ( -2.113 0.000 2.761) 3.477 8.085 ( -5.200 0.000 8.006) 9.547 8.236 ( -7.202 0.000 5.350) 8.972 8.451 ( 4.697 0.000 -1.283) 4.869 8.490 ( -4.281 0.000 -7.902) 8.987 8.741 ( -3.636 0.000 -1.774) 4.046 8.797 ( -5.951 0.000 -4.491) 7.455 8.999 ( -1.726 0.000 2.578) 3.102 9.137 ( -4.093 0.000 0.185) 4.097 9.254 ( -9.086 0.000 6.516) 11.180 9.348 ( 8.999 0.000 -1.699) 9.158 9.499 ( -2.451 0.000 2.346) 3.392 9.690 ( -3.110 0.000 2.126) 3.767 9.747 ( -4.261 0.000 -2.271) 4.828 9.812 ( -2.849 0.000 -1.034) 3.031 9.911 ( -6.205 0.000 10.377) 12.091 10.259 ( 1.734 0.000 4.662) 4.974 10.356 ( -1.788 0.000 -6.155) 6.409 10.759 ( 0.660 0.000 -7.416) 7.446 11.142 ( 8.795 0.000 -0.845) 8.835 11.297 ( 15.038 0.000 -5.921) 16.162 11.695 ( -2.294 0.000 0.624) 2.377 11.977 ( 0.911 0.000 -0.109) 0.917 12.121 ( -4.642 0.000 -1.533) 4.888 12.257 ( -2.310 0.000 5.012) 5.519 12.440 ( -5.226 0.000 -2.693) 5.879 12.501 ( -2.698 0.000 -4.238) 5.023 12.690 ( -12.344 0.000 6.161) 13.796 12.782 ( -0.393 0.000 -1.152) 1.217 13.229 ( 1.046 0.000 -5.982) 6.073 13.264 ( 2.579 0.000 5.999) 6.530 13.615 ( -1.910 0.000 3.998) 4.431 13.719 ( -1.777 0.000 2.734) 3.260 13.898 ( -7.914 0.000 -0.501) 7.930 14.112 ( -6.910 0.000 2.812) 7.461 14.698 ( 0.475 0.000 -0.795) 0.926 15.128 ( 4.540 0.000 -2.113) 5.008 15.290 ( 3.427 0.000 -0.401) 3.451 15.429 ( 8.781 0.000 -8.197) 12.012 15.513 ( 12.135 0.000 4.144) 12.823 15.853 ( 1.788 0.000 -9.114) 9.288 16.004 ( 1.963 0.000 -0.356) 1.995 16.212 ( -4.350 0.000 -1.009) 4.466 16.303 ( -5.633 0.000 -1.519) 5.834 16.449 ( -16.661 0.000 12.512) 20.836 16.564 ( -7.863 0.000 11.274) 13.745 16.761 ( -11.858 0.000 -0.353) 11.864 16.962 ( 9.235 0.000 -16.220) 18.665 17.340 ( 1.928 0.000 5.173) 5.521 17.471 ( -5.944 0.000 -6.964) 9.156 17.764 ( -0.402 0.000 2.641) 2.672 17.780 ( -3.566 0.000 -3.017) 4.671 18.584 ( 2.339 0.000 -11.439) 11.676 18.696 ( 2.868 0.000 -0.118) 2.871 18.990 ( -4.379 0.000 -2.269) 4.932 19.042 ( 3.109 0.000 6.950) 7.613 19.091 ( -9.940 0.000 20.865) 23.112 19.458 ( -0.921 0.000 0.555) 1.075 19.541 ( 5.456 0.000 -2.530) 6.014 20.431 ( -0.061 0.000 3.139) 3.139 20.442 ( 2.604 0.000 -1.530) 3.021 21.286 ( 2.747 0.000 5.088) 5.782 21.500 ( -1.389 0.000 -0.427) 1.454 21.574 ( -0.414 0.000 -0.515) 0.660 21.825 ( 3.766 0.000 -3.590) 5.203 22.109 ( 5.959 0.000 7.913) 9.906 22.392 ( 10.986 0.000 -11.955) 16.236 ======================= Grid point 66 (24/90) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 8.771 0.000 9.925) 13.245 2.059 ( 22.044 0.000 13.137) 25.661 2.401 ( -3.834 0.000 3.088) 4.923 2.568 ( -26.397 0.000 9.267) 27.977 2.598 ( 9.371 0.000 -14.591) 17.342 2.686 ( 9.096 0.000 -11.427) 14.605 3.421 ( -6.607 0.000 3.101) 7.298 3.657 ( 8.605 0.000 -0.023) 8.605 3.819 ( 5.178 0.000 2.639) 5.812 3.870 ( 16.974 0.000 9.394) 19.400 3.883 ( 7.085 0.000 7.084) 10.019 3.967 ( -4.636 0.000 -4.635) 6.555 4.119 ( -19.761 0.000 1.260) 19.801 4.341 ( 1.929 0.000 -6.397) 6.681 4.399 ( 2.613 0.000 -9.994) 10.330 4.486 ( -0.207 0.000 3.147) 3.153 4.661 ( 4.353 0.000 0.086) 4.354 4.757 ( 5.399 0.000 -8.732) 10.266 4.767 ( -15.829 0.000 3.520) 16.216 4.904 ( 5.686 0.000 15.617) 16.620 5.203 ( -2.700 0.000 -5.399) 6.037 5.305 ( -0.790 0.000 -2.176) 2.315 5.316 ( 0.292 0.000 -4.214) 4.224 5.479 ( 3.243 0.000 2.978) 4.403 5.627 ( 3.491 0.000 -4.809) 5.943 5.749 ( 1.663 0.000 1.186) 2.043 5.867 ( 0.171 0.000 -0.971) 0.986 5.893 ( 3.772 0.000 -7.084) 8.026 6.038 ( 1.325 0.000 -7.817) 7.928 6.088 ( 4.996 0.000 -3.811) 6.284 6.144 ( -3.138 0.000 -5.118) 6.003 6.287 ( -0.315 0.000 -3.596) 3.609 6.512 ( -0.695 0.000 1.395) 1.559 6.702 ( -1.756 0.000 2.640) 3.170 6.921 ( -1.686 0.000 3.955) 4.300 6.980 ( 1.544 0.000 -0.848) 1.762 7.058 ( 2.542 0.000 9.111) 9.459 7.174 ( -4.187 0.000 5.431) 6.858 7.455 ( 4.445 0.000 -4.920) 6.631 7.563 ( 1.372 0.000 -5.339) 5.512 7.783 ( 5.429 0.000 4.558) 7.089 7.916 ( -1.824 0.000 1.675) 2.476 8.039 ( -3.291 0.000 10.019) 10.546 8.161 ( -4.046 0.000 4.265) 5.879 8.380 ( -2.673 0.000 -7.155) 7.638 8.552 ( 6.186 0.000 -2.667) 6.736 8.657 ( -6.209 0.000 -4.451) 7.640 8.681 ( -1.580 0.000 -2.584) 3.029 8.959 ( -2.119 0.000 0.955) 2.324 9.073 ( -2.554 0.000 3.388) 4.242 9.107 ( -6.973 0.000 1.782) 7.197 9.479 ( 4.397 0.000 -3.100) 5.380 9.533 ( 2.953 0.000 5.276) 6.046 9.620 ( -2.592 0.000 0.685) 2.681 9.669 ( -2.563 0.000 -0.189) 2.570 9.789 ( -0.763 0.000 0.277) 0.812 9.847 ( -5.141 0.000 8.845) 10.230 10.300 ( 0.422 0.000 3.811) 3.834 10.328 ( 1.622 0.000 -5.578) 5.809 10.727 ( 0.462 0.000 -6.651) 6.667 11.291 ( 4.659 0.000 2.928) 5.503 11.532 ( 12.640 0.000 -5.402) 13.746 11.674 ( 0.286 0.000 1.520) 1.547 11.945 ( -5.876 0.000 4.358) 7.315 12.047 ( -2.213 0.000 -0.901) 2.389 12.205 ( -2.386 0.000 -4.806) 5.365 12.363 ( -0.710 0.000 -1.784) 1.920 12.378 ( -7.440 0.000 -2.823) 7.958 12.600 ( -1.868 0.000 5.229) 5.553 12.779 ( 0.786 0.000 -2.209) 2.345 13.261 ( 3.916 0.000 -2.060) 4.424 13.288 ( -2.641 0.000 3.248) 4.186 13.637 ( 3.177 0.000 2.040) 3.776 13.714 ( -0.317 0.000 1.202) 1.243 13.779 ( -4.772 0.000 0.936) 4.863 14.004 ( -5.081 0.000 -0.897) 5.160 14.721 ( 1.601 0.000 3.643) 3.979 15.182 ( 2.535 0.000 -0.017) 2.535 15.314 ( 0.127 0.000 -1.006) 1.014 15.517 ( 4.895 0.000 -14.483) 15.288 15.802 ( 14.679 0.000 2.657) 14.917 15.833 ( -1.751 0.000 -2.015) 2.669 15.995 ( -5.115 0.000 -0.276) 5.123 16.112 ( -5.178 0.000 -0.582) 5.210 16.178 ( -4.327 0.000 0.128) 4.329 16.279 ( -3.975 0.000 3.046) 5.008 16.485 ( -6.825 0.000 15.224) 16.683 16.573 ( -6.122 0.000 -0.192) 6.125 17.056 ( 7.985 0.000 -15.947) 17.834 17.379 ( -0.882 0.000 -7.188) 7.242 17.407 ( 2.616 0.000 5.200) 5.821 17.712 ( -1.811 0.000 -3.166) 3.647 17.782 ( 1.024 0.000 2.283) 2.502 18.514 ( -1.548 0.000 -14.362) 14.445 18.787 ( -14.216 0.000 10.390) 17.608 18.810 ( 6.699 0.000 1.577) 6.882 19.091 ( -1.310 0.000 8.233) 8.337 19.122 ( 1.102 0.000 5.868) 5.971 19.465 ( 1.399 0.000 0.040) 1.400 19.602 ( 2.499 0.000 -2.557) 3.575 20.434 ( -1.377 0.000 3.053) 3.350 20.492 ( 2.750 0.000 -0.098) 2.751 21.332 ( -0.221 0.000 4.433) 4.438 21.479 ( -0.252 0.000 -0.397) 0.471 21.578 ( 0.811 0.000 0.752) 1.106 21.859 ( 1.916 0.000 -4.580) 4.965 22.194 ( -1.056 0.000 6.108) 6.199 22.509 ( 6.749 0.000 -7.223) 9.886 ======================= Grid point 67 (25/90) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -26.890 0.000 1.955) 26.961 2.035 ( -31.254 0.000 9.095) 32.551 2.509 ( 16.846 0.000 6.011) 17.886 2.538 ( 13.495 0.000 5.454) 14.555 2.746 ( 10.285 0.000 -5.683) 11.751 3.039 ( 20.882 0.000 3.551) 21.181 3.328 ( -3.124 0.000 -1.662) 3.539 3.392 ( -40.883 0.000 2.720) 40.973 3.540 ( -6.197 0.000 -14.779) 16.026 3.645 ( -16.824 0.000 0.848) 16.845 3.900 ( -1.227 0.000 6.230) 6.349 4.218 ( 13.681 0.000 5.989) 14.934 4.278 ( -4.615 0.000 -4.383) 6.365 4.385 ( -2.993 0.000 -2.179) 3.702 4.396 ( 1.189 0.000 -8.331) 8.416 4.575 ( 5.606 0.000 5.141) 7.606 4.647 ( 13.430 0.000 17.055) 21.708 4.715 ( -2.021 0.000 -3.750) 4.260 4.794 ( 6.575 0.000 1.584) 6.763 5.092 ( -8.597 0.000 -11.318) 14.213 5.124 ( 9.155 0.000 15.010) 17.582 5.256 ( 0.537 0.000 -7.888) 7.906 5.276 ( -0.402 0.000 -6.086) 6.100 5.559 ( 2.609 0.000 3.854) 4.654 5.646 ( 1.546 0.000 -1.241) 1.983 5.718 ( -7.808 0.000 -2.531) 8.208 5.831 ( -0.443 0.000 -0.196) 0.484 5.941 ( 3.192 0.000 -5.665) 6.502 6.022 ( 1.889 0.000 -13.208) 13.343 6.118 ( 0.974 0.000 -6.598) 6.670 6.132 ( 2.885 0.000 -2.746) 3.983 6.295 ( 2.424 0.000 -0.408) 2.458 6.501 ( -1.400 0.000 2.569) 2.925 6.575 ( -8.257 0.000 0.406) 8.267 6.906 ( -2.648 0.000 2.270) 3.488 6.992 ( -8.714 0.000 6.463) 10.849 7.091 ( 6.190 0.000 1.711) 6.422 7.220 ( 2.543 0.000 6.638) 7.108 7.444 ( -4.005 0.000 -3.519) 5.332 7.538 ( -0.124 0.000 -5.846) 5.847 7.895 ( 3.138 0.000 8.382) 8.951 7.929 ( 2.259 0.000 2.395) 3.292 8.067 ( 0.480 0.000 9.888) 9.900 8.108 ( -3.361 0.000 1.323) 3.612 8.358 ( 4.885 0.000 -6.564) 8.182 8.514 ( -5.035 0.000 -2.437) 5.594 8.657 ( 5.228 0.000 -5.991) 7.951 8.662 ( 0.937 0.000 -4.162) 4.266 8.960 ( 1.797 0.000 2.199) 2.840 9.054 ( 1.597 0.000 -1.135) 1.959 9.105 ( 3.634 0.000 5.232) 6.371 9.488 ( -0.526 0.000 -3.790) 3.826 9.544 ( -4.738 0.000 6.302) 7.885 9.604 ( -1.322 0.000 1.116) 1.730 9.704 ( 3.935 0.000 1.426) 4.186 9.782 ( 1.313 0.000 -1.103) 1.715 9.833 ( 0.759 0.000 7.710) 7.748 10.307 ( -1.675 0.000 3.839) 4.188 10.345 ( 2.518 0.000 -4.586) 5.232 10.740 ( 4.070 0.000 -6.273) 7.478 11.305 ( -4.054 0.000 3.154) 5.137 11.711 ( 9.187 0.000 -7.341) 11.759 11.726 ( 2.417 0.000 4.303) 4.936 11.836 ( -7.434 0.000 8.801) 11.521 12.056 ( 4.328 0.000 -0.055) 4.328 12.121 ( -2.402 0.000 -15.647) 15.830 12.233 ( -6.299 0.000 -0.247) 6.304 12.405 ( 4.998 0.000 0.506) 5.024 12.611 ( 0.028 0.000 4.040) 4.040 12.779 ( -0.153 0.000 -2.324) 2.329 13.202 ( -6.524 0.000 -0.851) 6.579 13.335 ( 3.631 0.000 2.008) 4.149 13.700 ( -1.481 0.000 0.329) 1.517 13.706 ( -1.913 0.000 5.109) 5.455 13.778 ( 7.971 0.000 1.017) 8.035 13.938 ( -0.006 0.000 -3.607) 3.607 14.785 ( 2.123 0.000 6.949) 7.266 15.234 ( 2.386 0.000 1.923) 3.065 15.292 ( -1.493 0.000 -2.743) 3.123 15.463 ( -1.322 0.000 -20.078) 20.121 15.728 ( -16.499 0.000 0.369) 16.503 15.750 ( -6.279 0.000 -0.002) 6.279 16.035 ( -2.756 0.000 0.348) 2.778 16.052 ( 3.733 0.000 2.213) 4.339 16.239 ( 9.193 0.000 3.351) 9.784 16.320 ( 6.091 0.000 -4.762) 7.731 16.472 ( -1.305 0.000 17.386) 17.434 16.551 ( 4.626 0.000 -1.924) 5.010 17.101 ( 3.799 0.000 -11.485) 12.097 17.365 ( 3.669 0.000 -8.029) 8.827 17.489 ( 3.435 0.000 4.886) 5.972 17.688 ( 1.140 0.000 -4.423) 4.567 17.823 ( 1.728 0.000 3.902) 4.267 18.413 ( -1.756 0.000 -14.118) 14.227 18.586 ( -11.697 0.000 7.340) 13.809 18.923 ( 4.090 0.000 0.146) 4.092 19.084 ( -3.965 0.000 10.293) 11.030 19.159 ( 0.382 0.000 4.719) 4.735 19.505 ( 2.288 0.000 1.369) 2.666 19.620 ( 0.849 0.000 -2.037) 2.207 20.409 ( -2.259 0.000 1.805) 2.892 20.531 ( 0.851 0.000 1.460) 1.690 21.333 ( -1.359 0.000 4.103) 4.322 21.492 ( 1.543 0.000 0.260) 1.565 21.603 ( 0.801 0.000 2.268) 2.405 21.853 ( 0.090 0.000 -6.125) 6.126 22.127 ( -8.045 0.000 3.677) 8.845 22.587 ( 4.647 0.000 -4.046) 6.161 ======================= Grid point 68 (26/90) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -29.546 0.000 9.341) 30.988 1.458 ( -34.704 0.000 10.953) 36.391 2.421 ( -48.379 0.000 17.229) 51.355 2.803 ( 9.842 0.000 -3.245) 10.363 2.872 ( 3.666 0.000 -3.436) 5.025 2.881 ( 5.019 0.000 -7.146) 8.733 3.039 ( -17.402 0.000 2.892) 17.641 3.339 ( -1.432 0.000 4.737) 4.949 3.422 ( 2.588 0.000 -7.575) 8.005 3.644 ( 18.271 0.000 3.149) 18.540 3.973 ( 4.626 0.000 2.633) 5.323 4.142 ( -7.616 0.000 -1.182) 7.708 4.215 ( -6.199 0.000 -0.945) 6.271 4.322 ( -4.460 0.000 -11.650) 12.475 4.465 ( 9.850 0.000 0.456) 9.861 4.608 ( -3.189 0.000 5.037) 5.962 4.671 ( -2.619 0.000 -3.738) 4.565 4.822 ( -7.761 0.000 -5.622) 9.584 4.954 ( 7.416 0.000 -1.188) 7.511 4.977 ( 6.331 0.000 13.766) 15.152 5.212 ( -3.111 0.000 -8.074) 8.653 5.237 ( -1.377 0.000 -3.954) 4.187 5.416 ( 15.344 0.000 9.543) 18.070 5.522 ( -8.134 0.000 -4.308) 9.204 5.604 ( -0.082 0.000 -0.385) 0.394 5.708 ( 4.725 0.000 1.316) 4.905 5.804 ( -2.448 0.000 4.466) 5.092 5.933 ( -1.301 0.000 -6.300) 6.433 5.952 ( -2.596 0.000 -14.857) 15.082 6.081 ( -1.467 0.000 -6.111) 6.285 6.206 ( 5.797 0.000 -2.493) 6.311 6.347 ( -0.111 0.000 8.613) 8.614 6.465 ( -4.445 0.000 3.320) 5.548 6.475 ( -1.615 0.000 -1.559) 2.244 6.826 ( -3.062 0.000 4.569) 5.500 6.936 ( -1.600 0.000 2.408) 2.891 7.173 ( 2.587 0.000 -1.444) 2.962 7.251 ( -2.098 0.000 3.024) 3.680 7.324 ( -4.957 0.000 -5.888) 7.697 7.498 ( -2.328 0.000 -1.997) 3.067 7.978 ( 0.417 0.000 11.932) 11.940 8.002 ( -0.833 0.000 5.795) 5.854 8.051 ( 2.039 0.000 -4.967) 5.369 8.108 ( -0.519 0.000 5.366) 5.391 8.468 ( 0.701 0.000 2.195) 2.304 8.518 ( 13.743 0.000 -3.570) 14.199 8.655 ( 0.821 0.000 -5.877) 5.934 8.689 ( 1.669 0.000 -8.747) 8.904 9.037 ( 3.387 0.000 5.621) 6.563 9.148 ( 8.231 0.000 -1.960) 8.462 9.216 ( 4.404 0.000 1.520) 4.659 9.415 ( -6.002 0.000 0.918) 6.072 9.488 ( -3.511 0.000 8.843) 9.514 9.598 ( 2.557 0.000 -2.179) 3.360 9.740 ( 0.185 0.000 0.522) 0.554 9.847 ( 5.477 0.000 -1.570) 5.697 9.943 ( 4.887 0.000 6.781) 8.359 10.275 ( -3.817 0.000 4.554) 5.942 10.385 ( 4.104 0.000 -4.373) 5.997 10.788 ( 3.359 0.000 -6.233) 7.081 11.212 ( -6.239 0.000 1.943) 6.534 11.709 ( -5.939 0.000 -19.280) 20.174 11.773 ( 0.624 0.000 4.267) 4.312 11.829 ( 3.054 0.000 5.026) 5.881 11.992 ( -2.765 0.000 -2.519) 3.740 12.158 ( -1.359 0.000 -1.187) 1.804 12.200 ( 8.703 0.000 3.465) 9.368 12.525 ( 6.439 0.000 1.046) 6.523 12.629 ( 0.091 0.000 2.910) 2.912 12.729 ( -4.259 0.000 -2.695) 5.040 13.072 ( -5.229 0.000 -3.153) 6.106 13.402 ( 1.750 0.000 2.841) 3.337 13.703 ( 2.654 0.000 1.163) 2.898 13.713 ( 0.745 0.000 7.425) 7.462 13.967 ( 9.540 0.000 3.397) 10.127 13.970 ( 4.883 0.000 -3.418) 5.960 14.849 ( 0.482 0.000 7.107) 7.123 15.211 ( -5.604 0.000 -11.534) 12.823 15.275 ( -0.887 0.000 3.640) 3.746 15.317 ( -2.693 0.000 -16.340) 16.561 15.412 ( -15.640 0.000 1.429) 15.705 15.614 ( -7.130 0.000 -3.615) 7.994 16.003 ( -1.123 0.000 -0.093) 1.127 16.061 ( -2.415 0.000 3.134) 3.956 16.365 ( 1.181 0.000 -2.186) 2.484 16.387 ( 3.495 0.000 3.092) 4.667 16.651 ( 10.474 0.000 14.697) 18.047 16.726 ( 12.858 0.000 -3.559) 13.342 17.098 ( 1.457 0.000 -8.213) 8.341 17.473 ( 12.437 0.000 -6.996) 14.270 17.575 ( 3.419 0.000 3.569) 4.942 17.713 ( 4.493 0.000 -6.619) 8.000 17.884 ( 1.660 0.000 9.041) 9.192 18.326 ( -0.313 0.000 -12.662) 12.665 18.411 ( -10.065 0.000 3.485) 10.651 18.936 ( -2.586 0.000 -2.191) 3.389 19.048 ( -5.376 0.000 11.501) 12.695 19.195 ( 1.542 0.000 3.996) 4.283 19.556 ( 1.527 0.000 3.980) 4.263 19.626 ( 0.906 0.000 -0.265) 0.944 20.379 ( -1.152 0.000 0.391) 1.217 20.531 ( -1.717 0.000 1.820) 2.502 21.342 ( 0.350 0.000 6.295) 6.305 21.528 ( 1.373 0.000 1.077) 1.745 21.622 ( -0.083 0.000 2.463) 2.464 21.801 ( -2.030 0.000 -8.966) 9.193 21.963 ( -9.617 0.000 3.754) 10.324 22.642 ( 2.948 0.000 -4.627) 5.486 ======================= Grid point 69 (27/90) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -23.530 0.000 25.506) 34.702 0.861 ( -33.943 0.000 15.406) 37.276 1.563 ( -50.304 0.000 43.298) 66.372 2.513 ( -19.711 0.000 -12.184) 23.173 2.793 ( -3.580 0.000 -19.585) 19.910 2.984 ( 7.349 0.000 -5.835) 9.383 3.127 ( 11.300 0.000 8.020) 13.857 3.348 ( -0.539 0.000 1.282) 1.391 3.574 ( 9.192 0.000 9.213) 13.014 3.915 ( 3.640 0.000 -4.762) 5.994 3.915 ( -8.265 0.000 0.981) 8.323 4.096 ( 0.489 0.000 -2.114) 2.170 4.149 ( -2.025 0.000 -12.874) 13.032 4.259 ( 10.042 0.000 3.630) 10.678 4.517 ( -0.759 0.000 -9.412) 9.442 4.531 ( -6.822 0.000 5.093) 8.514 4.594 ( 0.609 0.000 -2.007) 2.097 4.853 ( 4.806 0.000 7.105) 8.578 5.012 ( -4.647 0.000 -4.217) 6.276 5.044 ( 2.251 0.000 -5.671) 6.101 5.143 ( -1.057 0.000 5.407) 5.509 5.168 ( -1.832 0.000 -4.354) 4.724 5.402 ( -3.869 0.000 -2.512) 4.613 5.579 ( 1.010 0.000 -3.202) 3.358 5.726 ( 9.972 0.000 4.047) 10.762 5.778 ( -2.414 0.000 -1.128) 2.665 5.788 ( -4.976 0.000 -5.324) 7.287 5.810 ( -3.615 0.000 -8.274) 9.030 5.867 ( 2.050 0.000 9.220) 9.445 6.024 ( -1.060 0.000 -3.742) 3.889 6.290 ( 3.854 0.000 -3.822) 5.428 6.354 ( -3.672 0.000 16.526) 16.929 6.414 ( -2.368 0.000 0.440) 2.409 6.473 ( 3.996 0.000 -9.949) 10.721 6.890 ( -1.654 0.000 2.810) 3.261 6.912 ( 4.510 0.000 3.036) 5.437 7.171 ( -6.335 0.000 -0.068) 6.335 7.189 ( 0.845 0.000 -3.697) 3.792 7.238 ( -0.818 0.000 -5.545) 5.605 7.436 ( -3.347 0.000 -0.866) 3.457 7.902 ( -6.293 0.000 -3.297) 7.104 7.997 ( -5.175 0.000 9.873) 11.147 8.112 ( -0.212 0.000 3.054) 3.062 8.170 ( 6.552 0.000 1.402) 6.700 8.518 ( 1.041 0.000 -0.373) 1.106 8.641 ( 1.639 0.000 -7.640) 7.814 8.673 ( 3.349 0.000 -2.670) 4.283 8.781 ( 12.897 0.000 -0.150) 12.898 9.096 ( -1.152 0.000 9.590) 9.659 9.196 ( -3.031 0.000 -1.433) 3.353 9.341 ( 11.258 0.000 -5.851) 12.687 9.344 ( -1.654 0.000 1.344) 2.131 9.527 ( 0.510 0.000 11.906) 11.917 9.703 ( 8.946 0.000 1.196) 9.026 9.734 ( -0.761 0.000 0.870) 1.156 9.935 ( 4.113 0.000 -2.550) 4.840 10.030 ( 0.802 0.000 6.836) 6.883 10.212 ( -4.960 0.000 4.579) 6.751 10.445 ( 4.124 0.000 -5.539) 6.906 10.793 ( 0.280 0.000 -5.714) 5.721 11.111 ( -4.560 0.000 -0.535) 4.591 11.231 ( -30.446 0.000 -37.805) 48.541 11.796 ( -0.139 0.000 2.824) 2.827 11.895 ( 1.682 0.000 -2.764) 3.236 12.145 ( 6.296 0.000 3.920) 7.417 12.209 ( 15.850 0.000 23.784) 28.581 12.360 ( 4.812 0.000 4.080) 6.309 12.573 ( -2.617 0.000 -6.874) 7.355 12.658 ( 2.817 0.000 5.120) 5.844 12.673 ( 1.909 0.000 5.404) 5.731 13.002 ( -0.835 0.000 -0.796) 1.154 13.412 ( -1.364 0.000 -0.424) 1.429 13.797 ( 4.546 0.000 1.799) 4.889 13.853 ( 11.087 0.000 13.656) 17.590 14.100 ( 10.896 0.000 -1.348) 10.979 14.136 ( 6.187 0.000 3.493) 7.105 14.834 ( -6.130 0.000 1.062) 6.221 14.916 ( -16.443 0.000 -23.662) 28.814 15.086 ( -14.320 0.000 10.527) 17.773 15.259 ( 1.759 0.000 -4.851) 5.160 15.337 ( 0.997 0.000 -0.481) 1.106 15.459 ( -6.905 0.000 -1.962) 7.178 15.986 ( -0.382 0.000 -0.673) 0.774 16.014 ( -3.788 0.000 3.079) 4.881 16.373 ( 0.792 0.000 -1.408) 1.616 16.429 ( 0.685 0.000 0.155) 0.703 16.889 ( 3.550 0.000 12.072) 12.583 16.904 ( 7.185 0.000 -2.902) 7.749 17.125 ( 6.860 0.000 -3.979) 7.931 17.650 ( 3.596 0.000 -1.473) 3.886 17.702 ( 9.749 0.000 -5.159) 11.030 17.826 ( 12.826 0.000 -8.193) 15.219 18.005 ( 6.293 0.000 14.850) 16.128 18.231 ( -10.386 0.000 6.858) 12.445 18.307 ( 5.311 0.000 -9.254) 10.670 18.818 ( -8.162 0.000 -1.775) 8.353 18.980 ( -6.817 0.000 7.473) 10.115 19.240 ( 1.108 0.000 0.071) 1.110 19.584 ( -1.575 0.000 6.415) 6.606 19.701 ( 8.338 0.000 4.005) 9.250 20.377 ( 0.825 0.000 0.036) 0.826 20.490 ( -3.015 0.000 0.872) 3.139 21.433 ( 6.364 0.000 9.336) 11.299 21.518 ( -3.117 0.000 0.148) 3.121 21.623 ( -0.776 0.000 1.811) 1.970 21.714 ( -1.483 0.000 -5.183) 5.391 21.861 ( -2.490 0.000 0.894) 2.645 22.562 ( -12.229 0.000 -21.426) 24.670 ======================= Grid point 70 (28/90) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 6.800 23.199 24.301) 34.278 0.989 ( 0.153 27.256 22.093) 35.086 1.886 ( -7.447 51.503 39.919) 65.586 2.300 ( -3.369 7.886 -15.846) 18.018 2.665 ( -0.592 0.996 -27.160) 27.185 3.130 ( 7.645 4.669 2.623) 9.335 3.257 ( -5.640 4.012 0.264) 6.926 3.461 ( 6.626 4.204 5.941) 9.843 3.613 ( -10.948 1.011 8.313) 13.784 3.886 ( 4.827 -2.221 2.565) 5.901 3.978 ( 2.287 5.582 -4.969) 7.815 4.063 ( -0.360 -2.054 -4.933) 5.356 4.228 ( 4.505 6.658 -7.991) 11.335 4.317 ( -4.859 -7.174 6.018) 10.550 4.391 ( 4.192 -3.619 1.239) 5.675 4.517 ( -0.547 1.777 -2.704) 3.281 4.551 ( -1.686 0.455 -10.657) 10.799 4.878 ( 2.910 -7.648 -0.470) 8.196 4.911 ( -4.664 -1.877 5.258) 7.275 5.030 ( 0.891 -8.917 0.824) 8.999 5.082 ( -2.776 -3.274 -6.996) 8.208 5.131 ( -1.281 -7.469 -9.443) 12.108 5.302 ( 6.530 7.439 -3.384) 10.461 5.542 ( 1.705 1.972 -9.942) 10.279 5.625 ( -3.730 -3.074 -1.656) 5.109 5.655 ( -5.571 5.731 5.999) 9.993 5.789 ( 0.645 -0.283 -2.591) 2.685 5.909 ( 1.222 2.136 1.243) 2.757 5.994 ( 0.622 6.207 6.382) 8.924 6.131 ( -1.013 1.595 1.913) 2.689 6.230 ( -5.071 -0.562 -0.182) 5.106 6.393 ( -1.805 4.510 -3.364) 5.909 6.473 ( 5.408 5.008 1.524) 7.527 6.527 ( -0.060 4.151 0.556) 4.189 6.664 ( -3.621 -4.256 7.420) 9.289 6.854 ( 4.908 -13.436 8.319) 16.548 7.028 ( 1.454 -7.379 -1.849) 7.745 7.116 ( -1.051 -7.300 -0.483) 7.391 7.241 ( 1.880 -0.156 -2.147) 2.858 7.342 ( -3.150 -1.001 0.409) 3.331 7.803 ( -4.284 2.170 5.473) 7.282 8.056 ( -2.436 5.570 -4.643) 7.650 8.148 ( -4.088 1.815 -0.237) 4.479 8.310 ( 3.753 2.098 0.336) 4.313 8.499 ( -0.628 -1.679 -1.247) 2.184 8.624 ( 4.488 -0.538 -3.272) 5.580 8.731 ( 2.830 -2.789 3.523) 5.310 8.920 ( -2.379 -6.857 7.694) 10.578 8.985 ( 1.472 2.840 -0.632) 3.261 9.232 ( 0.932 2.069 -1.487) 2.714 9.355 ( -3.158 3.094 -2.841) 5.255 9.471 ( 5.650 -2.485 -1.119) 6.273 9.643 ( -1.670 -0.259 3.075) 3.509 9.696 ( -8.188 2.773 -1.566) 8.785 9.798 ( 1.055 2.636 0.231) 2.849 9.943 ( 0.421 -1.739 -2.025) 2.702 10.052 ( -2.131 3.028 12.892) 13.413 10.196 ( -2.134 4.402 2.783) 5.629 10.498 ( 3.779 1.658 -4.233) 5.912 10.693 ( -4.382 1.871 -4.789) 6.755 10.817 ( 6.531 1.064 1.274) 6.739 11.075 ( -0.949 3.081 -3.714) 4.918 11.825 ( -0.890 1.584 2.095) 2.773 11.967 ( 2.240 1.044 4.088) 4.777 12.016 ( 3.882 -2.303 10.991) 11.882 12.254 ( 1.415 4.552 1.993) 5.167 12.418 ( -5.660 0.964 -3.746) 6.855 12.611 ( -2.271 0.565 -2.278) 3.266 12.688 ( 7.461 1.278 8.653) 11.497 13.079 ( -0.635 6.127 0.003) 6.160 13.340 ( 0.398 -0.387 -5.715) 5.742 13.407 ( 1.928 8.706 -10.620) 13.867 13.810 ( -1.399 -1.521 2.696) 3.397 13.960 ( -9.870 -1.249 -3.130) 10.430 14.179 ( -5.196 -3.596 3.748) 7.347 14.372 ( 9.946 2.174 -1.621) 10.309 14.576 ( -3.169 4.744 4.364) 7.183 14.908 ( -0.860 -3.603 10.252) 10.901 15.041 ( 4.675 3.550 -8.463) 10.299 15.278 ( 2.589 -2.870 -4.040) 5.592 15.346 ( 0.923 0.845 0.278) 1.281 15.790 ( 16.404 6.880 -16.357) 24.165 15.837 ( -0.392 -6.183 1.067) 6.287 16.019 ( 2.732 -1.342 -1.389) 3.346 16.360 ( -0.995 -2.034 0.420) 2.303 16.428 ( 0.922 -0.071 -1.694) 1.930 16.839 ( -2.149 -2.731 3.300) 4.792 16.955 ( -1.224 -2.156 0.049) 2.480 17.326 ( 1.774 4.898 1.336) 5.378 17.414 ( -11.039 -6.963 9.640) 16.225 17.788 ( -5.175 -7.345 -1.296) 9.078 17.813 ( -2.207 0.613 2.167) 3.153 17.958 ( -3.173 2.287 -4.589) 6.030 18.274 ( 12.421 -6.401 10.847) 17.690 18.547 ( 0.087 -9.069 -5.317) 10.513 18.662 ( 11.860 1.675 -13.592) 18.117 18.991 ( 0.289 8.650 4.169) 9.607 19.287 ( 1.080 5.083 -2.423) 5.734 19.452 ( -12.659 2.154 17.820) 21.965 20.255 ( 6.399 7.797 -16.987) 19.756 20.438 ( 1.733 3.524 -2.239) 4.521 20.448 ( -2.584 1.153 -0.191) 2.836 21.364 ( -21.534 -5.288 11.329) 24.900 21.452 ( 1.287 -2.730 0.304) 3.033 21.601 ( 7.420 -2.754 2.116) 8.193 21.634 ( -1.605 1.089 1.202) 2.282 21.719 ( 0.820 0.264 0.238) 0.894 22.179 ( -1.077 4.843 -16.586) 17.312 ======================= Grid point 71 (29/90) ======================= q-point: ( 0.14 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 15.453 21.400 19.778) 32.984 1.399 ( 19.772 19.921 24.453) 37.226 2.210 ( 23.425 35.352 31.277) 52.695 2.314 ( 10.695 10.372 -18.523) 23.771 2.572 ( 6.114 1.456 -24.374) 25.172 3.116 ( -5.501 9.515 0.027) 10.991 3.369 ( 1.118 1.648 3.858) 4.341 3.396 ( -3.842 3.272 4.112) 6.510 3.537 ( -1.178 3.124 7.911) 8.587 3.844 ( -10.708 -3.141 -2.196) 11.373 4.021 ( 1.522 -2.670 -4.866) 5.756 4.086 ( 5.524 -4.269 -2.692) 7.483 4.279 ( -3.633 -2.222 12.197) 12.919 4.299 ( 6.939 8.175 -7.168) 12.898 4.421 ( -1.242 3.171 -9.761) 10.338 4.475 ( 0.845 -3.495 -1.331) 3.834 4.541 ( 6.522 1.352 -5.139) 8.413 4.709 ( -7.759 -2.987 -0.146) 8.315 4.896 ( -6.005 0.768 -5.852) 8.420 5.051 ( 0.945 -8.446 4.610) 9.668 5.096 ( 4.196 -3.574 -0.554) 5.540 5.175 ( 5.992 -9.099 -4.879) 11.937 5.449 ( 9.557 4.191 -8.989) 13.773 5.491 ( -6.497 3.990 -2.899) 8.157 5.566 ( 2.061 -3.527 -3.591) 5.439 5.591 ( -1.410 3.039 0.146) 3.353 5.750 ( -2.913 8.465 1.895) 9.151 5.970 ( 3.485 2.213 2.274) 4.713 6.033 ( 0.795 -0.796 2.900) 3.110 6.101 ( -2.674 -1.326 1.710) 3.440 6.193 ( -0.330 -1.203 3.135) 3.374 6.333 ( -1.733 7.556 -5.686) 9.614 6.467 ( -3.392 -0.334 0.218) 3.415 6.620 ( 7.090 9.430 3.587) 12.332 6.707 ( 2.167 -8.006 6.008) 10.242 6.945 ( 0.955 -9.613 4.072) 10.484 7.040 ( 0.592 -5.962 -2.700) 6.571 7.099 ( -0.959 -5.950 1.384) 6.183 7.287 ( 4.791 -1.874 -2.947) 5.929 7.390 ( 7.001 -0.536 -0.332) 7.029 7.764 ( -1.756 5.428 3.039) 6.464 7.996 ( -2.107 2.181 -0.459) 3.067 8.093 ( -3.458 -0.308 3.961) 5.267 8.362 ( 2.418 -1.140 -2.336) 3.550 8.429 ( -6.209 2.660 1.401) 6.898 8.600 ( -1.418 0.563 -4.956) 5.185 8.843 ( -1.087 -5.490 -0.475) 5.617 8.879 ( -5.958 -1.252 3.068) 6.818 8.944 ( 2.130 3.159 2.231) 4.415 9.224 ( -1.682 2.030 0.430) 2.671 9.262 ( -4.592 1.403 -3.668) 6.043 9.488 ( -5.825 0.706 4.966) 7.687 9.557 ( -1.136 4.549 -3.853) 6.068 9.667 ( 1.004 -1.403 4.336) 4.667 9.784 ( -2.237 -2.380 -1.199) 3.480 9.897 ( -3.825 -0.470 -1.449) 4.117 10.024 ( -5.892 5.384 9.486) 12.397 10.229 ( 2.343 3.704 5.269) 6.854 10.472 ( -3.148 2.705 -4.317) 5.988 10.739 ( 6.673 -0.862 -6.678) 9.480 11.000 ( 8.969 0.159 -1.827) 9.154 11.110 ( 9.555 4.436 -5.948) 12.098 11.791 ( -3.108 3.465 1.037) 4.769 12.004 ( 1.854 4.904 -1.046) 5.346 12.134 ( 0.676 -6.082 6.688) 9.065 12.288 ( 0.629 3.886 3.672) 5.383 12.345 ( -1.613 -4.572 5.037) 6.991 12.546 ( -2.496 -0.331 -3.510) 4.320 12.805 ( -1.110 2.334 4.760) 5.416 13.002 ( -5.615 6.272 -2.907) 8.906 13.289 ( -1.893 1.136 -5.385) 5.820 13.366 ( -0.408 7.857 -7.139) 10.624 13.723 ( -9.532 3.835 7.407) 12.666 13.766 ( -4.238 -0.204 2.372) 4.861 14.074 ( -8.015 0.472 0.101) 8.030 14.350 ( -12.620 8.862 5.302) 16.307 14.600 ( 6.948 -4.747 -6.610) 10.700 14.933 ( 2.878 -7.247 3.767) 8.660 15.156 ( 8.501 -0.998 -3.659) 9.309 15.325 ( 2.390 -1.659 -0.708) 2.995 15.420 ( 6.812 4.758 1.138) 8.386 15.846 ( 1.986 -2.147 -3.425) 4.504 15.916 ( 2.903 -3.604 -5.417) 7.124 16.171 ( 7.735 -6.247 -7.027) 12.175 16.343 ( -0.672 -4.313 -1.665) 4.671 16.450 ( 1.438 -2.255 4.066) 4.867 16.720 ( -9.194 0.930 -0.291) 9.245 16.934 ( -3.676 -4.334 3.054) 6.452 17.124 ( -18.188 5.863 4.625) 19.661 17.344 ( -0.846 4.311 4.823) 6.524 17.608 ( -9.901 -4.912 -4.705) 12.012 17.776 ( -2.488 0.181 3.772) 4.522 17.887 ( -2.960 2.166 -4.662) 5.932 18.453 ( 5.251 -6.229 2.650) 8.567 18.640 ( 8.447 -11.574 -0.913) 14.358 18.705 ( -0.225 -1.995 -8.515) 8.749 19.111 ( 8.356 7.019 -2.859) 11.281 19.284 ( -13.982 3.913 21.263) 25.748 19.357 ( 6.855 4.414 -1.995) 8.394 20.016 ( -17.215 18.113 -7.176) 25.999 20.418 ( -0.595 0.257 1.284) 1.439 20.423 ( -0.053 0.529 0.645) 0.836 21.221 ( 1.084 1.931 4.904) 5.381 21.515 ( 1.596 0.016 1.171) 1.980 21.609 ( -0.825 1.475 -0.462) 1.752 21.726 ( 4.305 -2.628 -1.546) 5.275 21.824 ( 8.747 -7.208 4.720) 12.278 22.239 ( 11.135 1.239 -13.572) 17.599 ======================= Grid point 72 (30/90) ======================= q-point: ( 0.29 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 20.515 14.087 14.239) 28.671 1.856 ( 18.256 19.961 21.777) 34.727 2.400 ( 9.375 7.901 -16.103) 20.239 2.611 ( 11.752 7.673 -17.359) 22.323 2.915 ( -3.773 8.130 2.997) 9.451 3.057 ( 19.732 16.597 9.710) 27.552 3.100 ( -8.581 7.696 8.879) 14.550 3.507 ( -5.508 -2.448 2.803) 6.647 3.588 ( 5.365 2.129 5.950) 8.290 3.762 ( 7.081 1.418 1.697) 7.418 3.939 ( -3.793 0.116 1.277) 4.004 4.136 ( -1.035 -7.628 -6.746) 10.236 4.268 ( -2.693 1.646 -1.225) 3.386 4.276 ( -3.390 2.799 -2.215) 4.923 4.426 ( 4.307 -0.844 0.632) 4.434 4.564 ( 4.106 -3.711 -3.938) 6.793 4.615 ( -0.333 4.050 -3.930) 5.653 4.678 ( 6.601 -0.327 -2.373) 7.023 4.760 ( -3.467 4.271 -4.650) 7.203 4.964 ( -11.071 -7.041 1.869) 13.253 5.187 ( -2.500 -8.680 -3.439) 9.665 5.224 ( 9.123 -2.067 1.100) 9.418 5.395 ( -2.115 5.641 -0.696) 6.065 5.516 ( 2.393 2.885 -6.938) 7.886 5.605 ( 1.024 2.121 -0.554) 2.419 5.653 ( 7.469 -6.655 -1.164) 10.071 5.744 ( 1.244 5.441 3.368) 6.519 5.969 ( -2.583 1.031 -4.155) 5.000 6.043 ( 0.312 3.418 -0.821) 3.529 6.099 ( 0.695 -8.470 -0.251) 8.503 6.184 ( -0.398 2.851 -3.807) 4.773 6.293 ( -1.253 4.169 -2.425) 4.983 6.446 ( 1.251 0.690 2.716) 3.068 6.746 ( 0.147 -9.926 0.582) 9.944 6.765 ( 5.679 2.150 5.472) 8.174 6.956 ( -1.186 -0.133 5.471) 5.600 7.008 ( -2.267 -5.184 -4.997) 7.549 7.125 ( 1.862 -2.778 6.194) 7.039 7.399 ( 8.134 -1.293 -3.563) 8.973 7.525 ( 6.354 0.396 -1.286) 6.495 7.777 ( 1.796 8.581 2.794) 9.201 7.961 ( -2.080 0.776 1.864) 2.898 8.037 ( -5.018 -2.663 5.795) 8.115 8.318 ( -6.342 5.482 3.915) 9.252 8.394 ( 2.719 -2.600 -4.528) 5.887 8.542 ( -1.953 2.354 -4.754) 5.653 8.718 ( -7.108 -2.391 0.066) 7.500 8.787 ( -4.245 -0.917 -2.551) 5.036 9.007 ( -1.170 0.463 2.491) 2.791 9.165 ( -4.309 -3.697 0.147) 5.679 9.180 ( -3.135 2.370 1.107) 4.083 9.379 ( -6.681 -0.414 2.777) 7.247 9.561 ( 2.827 2.569 -3.206) 4.987 9.660 ( -4.110 -1.919 1.097) 4.667 9.741 ( -0.726 0.865 1.134) 1.601 9.815 ( -3.681 0.500 -0.230) 3.722 9.960 ( -4.645 4.867 7.358) 9.970 10.284 ( 0.680 2.800 4.398) 5.258 10.414 ( -0.396 4.570 -3.510) 5.776 10.789 ( 2.014 2.208 -6.708) 7.344 11.146 ( 8.966 0.486 -0.758) 9.011 11.327 ( 13.926 2.333 -5.922) 15.312 11.726 ( -4.256 2.194 1.150) 4.924 12.022 ( -0.159 3.064 -0.508) 3.110 12.108 ( -3.015 0.843 -0.533) 3.175 12.286 ( -4.001 -0.707 5.527) 6.859 12.359 ( 0.130 -0.863 0.702) 1.120 12.516 ( -1.288 -5.164 2.611) 5.928 12.661 ( -8.170 9.175 -2.853) 12.612 12.945 ( -1.900 8.071 -0.243) 8.295 13.247 ( 0.953 1.707 -5.419) 5.761 13.354 ( 0.091 6.053 0.741) 6.099 13.642 ( -3.313 2.638 4.852) 6.440 13.719 ( -1.818 0.183 2.695) 3.257 13.916 ( -7.679 1.988 -0.276) 7.937 14.159 ( -9.263 4.235 2.232) 10.426 14.647 ( 1.930 -3.375 -2.631) 4.694 15.021 ( 4.268 -8.686 -0.359) 9.685 15.302 ( 6.134 -0.240 -1.866) 6.416 15.374 ( 5.387 -3.673 -5.082) 8.267 15.593 ( 10.456 5.762 2.919) 12.290 15.872 ( 2.418 0.953 -3.062) 4.016 15.945 ( 2.397 -4.614 -2.220) 5.654 16.156 ( -4.031 -3.843 -3.895) 6.796 16.304 ( -2.441 -1.461 -1.884) 3.412 16.412 ( -11.504 -3.056 13.081) 17.686 16.577 ( -7.117 1.304 6.746) 9.892 16.741 ( -13.688 -1.539 -0.582) 13.787 16.989 ( 3.627 1.604 -11.416) 12.085 17.363 ( 0.596 0.486 0.403) 0.868 17.438 ( -4.829 -1.057 -1.532) 5.176 17.763 ( -0.532 -0.103 2.454) 2.513 17.804 ( -3.523 2.076 -3.129) 5.149 18.561 ( 5.029 -3.297 -4.997) 7.819 18.649 ( 0.323 -2.538 -5.678) 6.228 18.741 ( 0.469 -12.837 3.899) 13.424 19.136 ( -9.057 4.354 15.174) 18.201 19.236 ( 3.768 9.388 2.116) 10.336 19.465 ( 4.264 3.761 -0.842) 5.748 19.763 ( -6.847 13.722 -2.761) 15.581 20.428 ( 0.678 -0.426 1.931) 2.090 20.438 ( 0.943 -0.113 0.577) 1.112 21.293 ( 2.732 0.544 4.183) 5.026 21.508 ( -1.506 0.766 -0.135) 1.695 21.591 ( -0.457 1.361 -1.121) 1.822 21.793 ( 3.596 -2.930 -3.277) 5.679 22.017 ( 7.239 -7.495 7.304) 12.725 22.378 ( 8.908 -1.979 -9.993) 13.532 ======================= Grid point 73 (31/90) ======================= q-point: ( 0.43 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 14.775 9.015 5.049) 18.029 2.253 ( 12.042 15.952 14.717) 24.820 2.513 ( -7.637 8.886 4.607) 12.591 2.660 ( 0.486 7.522 -0.242) 7.542 2.689 ( -5.972 9.733 -4.054) 12.117 2.796 ( 2.438 9.968 -10.711) 14.834 3.394 ( -5.245 -2.596 1.256) 5.986 3.683 ( 5.998 1.646 -2.517) 6.709 3.737 ( 1.755 -2.022 5.886) 6.466 3.937 ( 19.287 5.960 8.356) 21.848 3.964 ( 0.713 6.076 2.276) 6.527 4.080 ( -8.858 -2.112 0.305) 9.111 4.145 ( 5.665 12.045 -2.373) 13.520 4.292 ( 1.345 -3.764 -4.112) 5.735 4.435 ( -8.773 0.518 -0.995) 8.845 4.456 ( -2.852 -0.687 -0.012) 2.934 4.615 ( 3.168 -3.059 2.462) 5.046 4.663 ( -6.286 -7.365 -0.735) 9.710 4.813 ( 2.977 1.910 -7.787) 8.553 4.866 ( 3.725 1.560 8.592) 9.494 5.106 ( -3.377 -10.902 -4.813) 12.386 5.340 ( -0.945 9.078 -4.594) 10.218 5.412 ( 5.562 2.640 -2.855) 6.787 5.530 ( 0.235 1.606 3.011) 3.420 5.571 ( 0.224 -3.966 -3.698) 5.428 5.772 ( 1.211 1.857 3.551) 4.186 5.796 ( 2.484 -5.770 0.694) 6.321 5.910 ( 0.599 -2.430 -8.702) 9.055 6.040 ( 0.593 3.187 -4.882) 5.860 6.098 ( 1.274 -3.482 -3.220) 4.911 6.171 ( 1.606 4.521 -4.867) 6.834 6.245 ( -2.110 -0.589 -2.300) 3.176 6.492 ( 0.366 1.669 2.454) 2.991 6.729 ( -2.432 -8.415 -2.405) 9.084 6.861 ( 1.574 -4.410 4.167) 6.268 6.974 ( 2.594 -0.659 -1.132) 2.906 6.978 ( 0.271 1.309 7.454) 7.573 7.156 ( -3.212 -0.999 6.348) 7.184 7.514 ( 4.508 1.483 -3.465) 5.876 7.594 ( 2.208 2.579 -3.591) 4.942 7.841 ( 2.560 5.304 4.523) 7.426 7.944 ( -1.236 1.321 1.213) 2.178 7.992 ( -1.670 -1.944 8.965) 9.324 8.234 ( -4.567 6.018 3.688) 8.407 8.403 ( 1.127 1.005 -7.022) 7.182 8.518 ( 2.085 -2.272 -3.717) 4.829 8.614 ( -4.070 -2.490 -0.886) 4.853 8.688 ( -4.283 -0.400 -2.302) 4.879 8.965 ( -2.368 0.522 0.344) 2.449 9.075 ( -4.091 -3.376 -0.902) 5.381 9.122 ( -2.735 3.843 3.288) 5.749 9.342 ( 0.523 -5.676 3.732) 6.813 9.563 ( -3.488 -3.628 0.755) 5.089 9.623 ( 2.430 0.694 -1.564) 2.972 9.734 ( -0.626 5.674 -0.499) 5.730 9.775 ( -0.686 -0.304 1.081) 1.316 9.930 ( -2.471 6.956 6.978) 10.159 10.306 ( 0.359 1.333 1.862) 2.318 10.416 ( 1.042 6.469 -1.787) 6.792 10.773 ( 0.741 3.662 -6.457) 7.460 11.305 ( 5.786 1.192 2.489) 6.411 11.544 ( 11.257 1.129 -5.254) 12.474 11.661 ( -1.666 -0.978 1.484) 2.436 11.970 ( -6.433 1.282 3.924) 7.644 12.051 ( -1.953 1.449 -1.940) 3.111 12.208 ( -4.064 -0.751 -3.588) 5.473 12.370 ( 1.435 3.476 -0.019) 3.761 12.433 ( -5.349 2.059 -1.370) 5.893 12.628 ( 0.923 5.159 4.554) 6.943 12.906 ( -0.675 9.686 -2.024) 9.918 13.282 ( 4.106 1.988 -2.028) 4.992 13.339 ( -3.027 3.865 1.437) 5.115 13.635 ( 0.803 -0.379 3.182) 3.303 13.718 ( 0.465 1.035 1.009) 1.519 13.806 ( -3.964 2.973 0.416) 4.972 14.017 ( -5.955 1.140 -1.184) 6.178 14.683 ( 2.338 -2.522 1.724) 3.847 15.084 ( 2.503 -8.210 0.893) 8.629 15.337 ( -0.108 1.625 -1.543) 2.243 15.441 ( 4.204 -6.562 -13.862) 15.903 15.830 ( 10.555 4.095 4.524) 12.192 15.890 ( -0.562 1.730 1.570) 2.403 15.964 ( -1.297 -3.021 -0.875) 3.402 16.037 ( -4.883 -2.806 -3.500) 6.631 16.243 ( -3.847 2.215 1.643) 4.734 16.282 ( -2.797 0.647 3.895) 4.839 16.471 ( -7.077 -2.810 10.644) 13.087 16.555 ( -6.117 0.394 0.954) 6.204 17.028 ( 5.635 -2.723 -13.376) 14.767 17.338 ( 0.521 -3.240 -8.009) 8.655 17.439 ( 1.458 2.676 5.644) 6.414 17.737 ( -1.748 2.187 -3.081) 4.163 17.778 ( 0.914 -0.389 2.151) 2.369 18.518 ( -2.138 0.064 -12.907) 13.083 18.658 ( -6.598 -8.060 8.565) 13.486 18.761 ( 5.190 -6.765 -2.261) 8.821 19.073 ( -4.801 3.549 13.094) 14.391 19.303 ( 2.224 10.475 2.096) 10.912 19.508 ( 1.267 4.368 0.158) 4.550 19.701 ( 0.200 7.931 -2.643) 8.362 20.431 ( -1.728 -0.251 3.314) 3.746 20.476 ( 2.497 -1.341 0.257) 2.846 21.340 ( 0.078 0.699 4.066) 4.126 21.486 ( -0.366 0.671 -0.054) 0.766 21.589 ( 0.738 0.811 -0.361) 1.154 21.823 ( 1.482 -3.315 -4.477) 5.765 22.123 ( 0.173 -6.185 6.162) 8.733 22.473 ( 5.637 -3.292 -6.647) 9.316 ======================= Grid point 74 (32/90) ======================= q-point: (-0.43 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -24.489 13.970 1.402) 28.228 2.175 ( -26.573 13.135 7.883) 30.672 2.550 ( 11.741 4.327 4.576) 13.323 2.635 ( 9.878 8.311 2.860) 13.223 2.875 ( 10.909 11.587 -2.298) 16.079 3.097 ( 20.377 5.090 5.857) 21.805 3.326 ( -1.519 2.188 -3.875) 4.702 3.514 ( -27.429 7.632 0.041) 28.471 3.620 ( -6.974 7.832 -10.777) 15.038 3.691 ( -18.538 4.687 2.425) 19.274 3.865 ( -3.963 -0.652 5.352) 6.691 4.232 ( -3.764 -9.450 -3.661) 10.811 4.267 ( -7.374 -0.998 -1.095) 7.521 4.287 ( 11.960 4.618 2.771) 13.117 4.496 ( 1.373 1.068 -1.133) 2.076 4.515 ( 9.103 -0.468 4.280) 10.070 4.676 ( 11.946 -1.367 2.744) 12.333 4.732 ( 0.102 -0.100 3.056) 3.059 4.755 ( 2.542 -0.280 3.553) 4.377 4.972 ( -2.287 -3.927 -2.145) 5.026 5.054 ( 4.560 -8.371 -0.028) 9.533 5.289 ( -2.904 0.690 -7.884) 8.430 5.353 ( -0.157 9.188 -4.927) 10.427 5.584 ( 1.755 -3.582 -2.923) 4.945 5.659 ( 5.456 2.410 8.305) 10.225 5.707 ( -6.752 -1.751 -3.690) 7.891 5.822 ( 0.577 -1.640 -3.271) 3.704 5.892 ( 0.258 -1.779 -2.431) 3.024 6.008 ( -1.007 0.101 -6.282) 6.363 6.098 ( -1.222 -1.332 -5.109) 5.419 6.204 ( 3.641 1.111 -2.093) 4.344 6.259 ( 5.906 1.429 -3.035) 6.792 6.478 ( -2.650 -0.668 4.669) 5.410 6.626 ( -5.070 -0.843 -4.966) 7.147 6.885 ( -1.480 -3.179 2.164) 4.121 6.940 ( -8.803 -0.735 3.918) 9.664 7.061 ( 3.472 -2.050 4.538) 6.071 7.140 ( 1.288 -4.312 5.426) 7.050 7.499 ( -4.174 2.618 -3.231) 5.892 7.582 ( -1.398 2.841 -3.097) 4.429 7.910 ( 1.196 0.393 5.598) 5.738 7.937 ( 0.386 0.399 3.854) 3.894 8.047 ( 1.921 2.101 7.501) 8.023 8.190 ( -0.707 4.858 0.966) 5.004 8.410 ( 4.130 3.928 -4.930) 7.536 8.520 ( -2.992 1.084 -1.155) 3.385 8.594 ( 3.300 -4.892 -3.758) 6.996 8.640 ( 2.373 -2.405 -4.376) 5.528 8.937 ( -0.644 -1.430 -0.370) 1.612 9.064 ( 3.789 -0.208 -1.564) 4.104 9.158 ( 4.335 4.267 4.769) 7.730 9.349 ( -3.012 -6.056 5.552) 8.751 9.525 ( 0.176 -2.700 -2.758) 3.864 9.652 ( 0.815 -1.411 -1.503) 2.217 9.761 ( 3.599 3.933 2.397) 5.846 9.786 ( 1.437 0.867 0.132) 1.683 9.916 ( -2.542 8.969 7.152) 11.750 10.313 ( -0.792 1.080 1.956) 2.370 10.409 ( -0.482 5.076 -2.102) 5.516 10.788 ( 3.756 3.772 -5.935) 7.972 11.325 ( -4.512 1.898 2.932) 5.706 11.664 ( 4.859 -2.820 0.550) 5.645 11.733 ( 5.012 -0.813 -4.303) 6.656 11.862 ( -6.130 1.253 8.605) 10.639 11.988 ( -4.259 -3.173 -8.924) 10.385 12.140 ( 1.200 3.148 -2.405) 4.140 12.316 ( -4.525 7.883 -1.069) 9.153 12.461 ( 6.261 2.157 0.268) 6.628 12.662 ( 0.236 4.707 4.124) 6.263 12.918 ( 2.562 11.036 -1.850) 11.480 13.250 ( -4.857 3.447 -2.344) 6.400 13.362 ( 3.581 2.902 1.728) 4.923 13.679 ( 0.290 -2.431 4.455) 5.083 13.722 ( -2.286 2.037 2.134) 3.732 13.797 ( 5.286 2.251 -0.275) 5.752 13.956 ( 1.554 1.981 -3.560) 4.361 14.748 ( 2.598 -2.703 5.167) 6.384 15.120 ( 0.293 -9.235 0.542) 9.256 15.292 ( -3.223 -1.438 -6.700) 7.573 15.396 ( -1.165 -3.185 -11.277) 11.776 15.731 ( -12.202 2.513 0.730) 12.479 15.882 ( -4.130 6.521 -1.189) 7.810 15.967 ( -2.903 -4.924 1.395) 5.884 16.040 ( 3.527 -1.262 2.032) 4.262 16.264 ( 5.418 1.331 2.797) 6.241 16.346 ( 5.579 1.192 -1.514) 5.902 16.467 ( -1.232 -0.128 15.242) 15.292 16.518 ( 6.316 -1.880 -3.104) 7.284 17.058 ( 3.958 -4.165 -11.123) 12.520 17.334 ( 3.194 -2.279 -7.089) 8.103 17.503 ( 2.262 1.381 4.846) 5.523 17.717 ( 1.554 2.454 -4.121) 5.042 17.817 ( 1.752 -0.546 3.638) 4.074 18.392 ( -6.062 -2.649 -7.249) 9.814 18.551 ( -5.170 -2.159 -0.705) 5.647 18.830 ( 1.362 -7.787 -0.922) 7.959 19.071 ( -1.979 2.986 11.979) 12.503 19.338 ( 0.282 11.195 2.607) 11.498 19.536 ( 1.410 3.338 1.344) 3.865 19.716 ( 2.688 7.835 -2.344) 8.608 20.401 ( -2.452 -0.658 1.966) 3.211 20.518 ( 1.073 -1.260 1.878) 2.503 21.341 ( -1.489 0.797 3.843) 4.198 21.499 ( 1.467 0.633 0.699) 1.744 21.610 ( 1.004 0.449 0.942) 1.448 21.803 ( -1.008 -4.526 -6.193) 7.737 22.082 ( -6.728 -3.919 4.556) 9.021 22.529 ( 3.063 -5.194 -4.459) 7.499 ======================= Grid point 75 (33/90) ======================= q-point: (-0.29 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -25.970 18.038 6.749) 32.332 1.668 ( -30.488 17.540 6.887) 35.841 2.550 ( -19.959 9.463 7.243) 23.246 2.887 ( -11.486 9.356 0.605) 14.827 2.927 ( 10.937 4.976 1.098) 12.065 3.037 ( -3.277 15.390 -2.724) 15.969 3.143 ( -18.723 10.233 -0.949) 21.358 3.354 ( 3.230 3.597 2.024) 5.241 3.523 ( 0.239 7.128 -2.125) 7.442 3.659 ( 17.001 1.290 2.455) 17.226 3.908 ( 4.193 -4.915 3.898) 7.545 4.104 ( -7.115 -4.068 3.164) 8.786 4.154 ( -3.832 -3.291 -3.065) 5.909 4.409 ( -1.710 2.320 -8.147) 8.641 4.524 ( 6.231 4.998 -1.341) 8.100 4.553 ( -6.015 -1.376 -3.057) 6.886 4.615 ( -3.468 -3.419 -2.132) 5.316 4.823 ( -3.346 -2.535 -4.906) 6.457 4.868 ( 2.852 -6.230 6.497) 9.442 4.939 ( 6.263 -7.730 7.758) 12.616 5.191 ( 0.955 3.345 -4.524) 5.707 5.244 ( 2.615 -2.695 -3.545) 5.164 5.364 ( 0.952 2.357 -1.690) 3.052 5.566 ( -1.741 -1.042 -3.589) 4.123 5.623 ( 3.284 -5.279 -3.621) 7.194 5.724 ( -2.466 7.137 -2.374) 7.915 5.799 ( 2.321 0.518 4.290) 4.905 5.926 ( -0.983 1.183 1.652) 2.257 5.955 ( -0.609 -0.392 -6.840) 6.879 6.037 ( -0.308 -3.194 -3.167) 4.508 6.263 ( 1.248 -2.034 3.571) 4.295 6.358 ( 5.441 5.839 -4.952) 9.393 6.458 ( -2.690 -0.843 6.456) 7.044 6.531 ( -2.830 2.744 -2.141) 4.486 6.750 ( -6.516 -3.777 0.745) 7.569 6.883 ( -2.237 -4.040 0.240) 4.624 7.097 ( -1.329 -5.257 2.187) 5.847 7.171 ( -1.533 -4.817 3.272) 6.022 7.372 ( -6.878 1.158 -3.270) 7.703 7.527 ( -3.208 0.587 0.376) 3.282 7.924 ( -3.967 0.436 7.457) 8.458 7.982 ( 3.640 -1.470 3.520) 5.273 8.120 ( 2.048 5.221 5.846) 8.101 8.224 ( 3.858 5.722 -1.577) 7.079 8.450 ( -0.177 -1.117 2.032) 2.325 8.558 ( 2.246 -1.811 -6.880) 7.461 8.587 ( 7.397 2.284 -2.411) 8.108 8.741 ( 7.329 0.558 -5.120) 8.958 8.927 ( -1.308 -6.137 1.795) 6.527 9.169 ( 7.028 -0.436 -2.852) 7.597 9.267 ( 1.346 1.707 2.308) 3.170 9.337 ( 2.942 0.453 7.074) 7.675 9.530 ( 1.921 -2.332 -3.839) 4.885 9.662 ( 0.764 2.265 0.201) 2.399 9.770 ( -0.717 3.006 -0.450) 3.123 9.871 ( 3.844 2.608 1.329) 4.831 9.943 ( 1.971 3.197 8.257) 9.071 10.293 ( -2.734 2.013 3.806) 5.100 10.409 ( 2.390 2.354 -3.493) 4.843 10.821 ( 1.723 2.236 -5.418) 6.110 11.225 ( -6.377 1.351 2.057) 6.836 11.583 ( -16.717 -13.241 -15.275) 26.232 11.730 ( 1.067 -0.810 3.776) 4.007 11.847 ( -0.862 3.806 8.118) 9.007 11.926 ( 2.920 3.026 -4.092) 5.868 12.208 ( 1.073 5.465 2.020) 5.924 12.291 ( 5.641 6.147 1.224) 8.432 12.585 ( 5.243 0.031 -0.741) 5.295 12.671 ( -0.979 3.691 0.395) 3.839 12.958 ( 2.368 12.474 0.695) 12.716 13.191 ( 2.334 9.575 -7.102) 12.148 13.424 ( 1.722 2.893 1.974) 3.903 13.698 ( 0.596 0.643 2.065) 2.243 13.714 ( 1.827 -0.917 7.127) 7.414 13.953 ( 9.373 -0.204 1.171) 9.448 14.037 ( 7.898 6.080 -1.772) 10.124 14.818 ( 1.444 -2.499 6.249) 6.883 15.021 ( -10.539 -12.002 -10.283) 18.996 15.180 ( -3.498 -3.751 -3.209) 6.050 15.351 ( -0.181 0.798 -2.263) 2.406 15.499 ( -11.390 4.127 -1.487) 12.205 15.803 ( -2.722 12.236 -6.715) 14.220 15.910 ( -3.443 -6.750 1.395) 7.705 16.060 ( -1.341 -1.509 1.842) 2.733 16.353 ( 2.811 -0.646 -2.085) 3.558 16.392 ( 0.293 -0.406 2.846) 2.890 16.585 ( 7.536 -4.709 10.092) 13.446 16.766 ( 15.633 2.533 0.594) 15.848 17.083 ( 4.322 -2.299 -9.452) 10.644 17.410 ( 7.579 -4.196 -2.210) 8.940 17.558 ( 2.169 -0.653 2.031) 3.043 17.761 ( 5.296 3.395 -5.213) 8.170 17.877 ( 1.784 -0.744 8.178) 8.404 18.237 ( -7.664 -5.156 -2.389) 9.541 18.476 ( -0.014 2.922 -9.730) 10.159 18.794 ( -4.646 -8.891 0.553) 10.047 19.087 ( -2.978 4.060 10.331) 11.493 19.339 ( -1.108 9.098 1.193) 9.243 19.566 ( -0.305 2.378 5.094) 5.630 19.798 ( 8.217 12.272 -2.829) 15.037 20.372 ( -1.003 -0.564 0.719) 1.356 20.527 ( -1.192 -0.522 2.321) 2.661 21.341 ( -0.436 -0.053 5.772) 5.789 21.531 ( 0.481 -0.025 1.330) 1.415 21.629 ( 0.462 0.719 1.213) 1.484 21.727 ( -2.936 -6.097 -7.960) 10.448 21.945 ( -9.156 -1.598 4.311) 10.245 22.537 ( -0.304 -8.588 -5.234) 10.062 ======================= Grid point 76 (34/90) ======================= q-point: (-0.14 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -19.715 22.669 15.637) 33.868 1.126 ( -27.788 22.194 9.286) 36.756 2.069 ( -29.344 40.476 31.126) 58.891 2.601 ( -19.414 8.883 -10.687) 23.875 2.800 ( -1.194 -1.478 -20.940) 21.026 3.040 ( -0.529 10.558 2.926) 10.968 3.209 ( 12.154 5.366 3.212) 13.669 3.380 ( -1.541 3.219 0.964) 3.697 3.626 ( 4.871 4.802 10.350) 12.406 3.856 ( -1.664 -2.485 1.819) 3.501 3.982 ( 2.361 3.615 -3.009) 5.263 4.078 ( -0.453 -1.572 -0.502) 1.711 4.141 ( 7.636 -5.141 -0.005) 9.205 4.314 ( -0.489 3.208 -7.734) 8.387 4.398 ( -3.863 -4.756 -3.224) 6.924 4.542 ( -2.551 0.393 -2.060) 3.303 4.599 ( 2.049 1.367 -5.997) 6.483 4.802 ( 0.035 -4.717 2.860) 5.516 4.959 ( 3.883 -9.145 3.647) 10.584 5.006 ( -3.137 -7.341 1.580) 8.138 5.146 ( 0.216 5.948 -2.729) 6.548 5.212 ( -1.330 -1.055 -10.158) 10.299 5.313 ( -3.693 -1.663 -2.968) 5.021 5.565 ( 1.048 -0.832 -9.954) 10.044 5.651 ( 1.866 -5.861 1.340) 6.295 5.735 ( -2.401 -2.409 -1.332) 3.652 5.822 ( -1.955 0.464 -3.030) 3.635 5.847 ( 0.077 4.676 4.942) 6.804 5.950 ( 0.912 6.666 4.244) 7.955 6.098 ( 4.436 4.558 -0.082) 6.361 6.282 ( -1.556 -3.074 7.039) 7.837 6.410 ( 2.686 5.068 -4.337) 7.191 6.431 ( -1.544 1.864 -0.133) 2.424 6.503 ( 0.850 3.208 -1.178) 3.522 6.730 ( 0.341 -9.106 7.392) 11.733 6.802 ( -6.131 -6.952 -0.417) 9.279 7.045 ( -3.490 -6.242 1.183) 7.249 7.144 ( -1.455 -5.604 -0.798) 5.844 7.255 ( -2.866 -0.015 -2.514) 3.812 7.447 ( -6.199 -1.661 1.251) 6.539 7.864 ( -5.303 0.724 7.103) 8.893 8.075 ( 3.365 3.177 -1.538) 4.877 8.171 ( 1.503 4.629 5.002) 6.979 8.277 ( 1.450 5.955 -4.120) 7.385 8.497 ( 3.132 -1.792 5.015) 6.179 8.506 ( 0.019 -5.497 -4.728) 7.251 8.732 ( 3.679 1.501 -7.854) 8.802 8.847 ( 5.738 1.468 3.692) 6.979 8.934 ( 1.152 -6.168 5.959) 8.654 9.212 ( 0.889 -1.163 -2.791) 3.152 9.350 ( 7.058 -0.125 -0.647) 7.088 9.403 ( -0.305 4.474 -1.206) 4.644 9.612 ( 5.900 -4.863 2.363) 8.003 9.690 ( 3.071 5.587 3.937) 7.492 9.779 ( 0.884 4.690 -1.269) 4.938 9.919 ( 1.919 0.618 -1.274) 2.385 10.018 ( 0.402 -0.177 9.732) 9.742 10.247 ( -4.163 3.883 4.634) 7.340 10.461 ( 4.419 1.527 -5.275) 7.049 10.796 ( -1.357 -0.300 -3.680) 3.934 11.048 ( -24.261 -6.996 -11.239) 27.638 11.145 ( -6.934 1.369 -3.260) 7.784 11.785 ( 1.983 -2.543 7.638) 8.291 11.887 ( 0.092 3.102 10.552) 10.999 11.961 ( 2.367 5.102 -3.021) 6.384 12.222 ( 1.178 6.155 0.567) 6.293 12.471 ( 7.978 4.107 7.063) 11.419 12.572 ( -3.872 -0.129 -6.265) 7.366 12.644 ( -0.956 0.668 0.809) 1.419 13.043 ( 4.096 6.971 1.545) 8.232 13.269 ( 9.294 12.991 -9.987) 18.838 13.431 ( -0.728 3.714 -2.419) 4.491 13.773 ( 3.957 -1.632 1.890) 4.680 13.854 ( 9.925 -1.095 9.325) 13.662 14.136 ( 8.204 -0.027 2.162) 8.484 14.230 ( 12.772 10.026 0.424) 16.242 14.683 ( -15.838 -6.382 -7.871) 18.803 14.868 ( -0.600 -1.332 5.507) 5.698 15.105 ( -4.091 -3.248 -2.434) 5.763 15.317 ( -5.085 2.883 -3.892) 7.022 15.349 ( -0.435 0.420 -0.446) 0.751 15.715 ( -0.627 14.177 -11.812) 18.464 15.859 ( -2.254 -6.536 0.684) 6.947 16.030 ( -1.931 -1.370 0.608) 2.445 16.371 ( 0.269 -0.243 -1.155) 1.211 16.412 ( 1.063 -1.646 0.175) 1.967 16.766 ( 6.057 -6.412 6.612) 11.024 16.964 ( 2.824 0.918 0.234) 2.979 17.187 ( 11.252 3.002 -4.163) 12.368 17.492 ( -2.381 -6.999 6.503) 9.846 17.693 ( 12.155 -5.673 -2.643) 13.672 17.827 ( 2.405 1.994 -3.071) 4.381 17.999 ( 7.277 -1.466 12.174) 14.259 18.088 ( -6.946 -2.574 -1.504) 7.559 18.479 ( 7.730 4.818 -14.803) 17.381 18.679 ( -7.067 -7.745 -0.104) 10.485 19.041 ( -6.115 5.762 8.128) 11.690 19.311 ( -1.669 5.607 -1.224) 5.977 19.555 ( -5.547 2.012 11.422) 12.856 20.022 ( 18.064 15.655 -8.160) 25.258 20.381 ( 1.893 0.577 0.530) 2.048 20.498 ( -2.683 0.539 1.282) 3.022 21.393 ( 2.164 -3.607 8.954) 9.892 21.495 ( -3.544 -1.961 0.074) 4.051 21.621 ( -1.831 -1.718 -0.601) 2.582 21.678 ( 0.608 -1.703 -2.781) 3.318 21.796 ( -9.159 -2.445 3.278) 10.031 22.420 ( -9.137 -9.310 -13.301) 18.630 ======================= Grid point 77 (35/90) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 5.595 27.242 14.738) 31.475 1.648 ( 0.544 33.937 8.364) 34.957 2.486 ( -0.580 9.326 -13.928) 16.773 2.681 ( -2.355 7.254 -18.972) 20.448 2.969 ( -7.147 39.316 19.349) 44.398 3.267 ( 7.020 8.649 5.974) 12.640 3.443 ( -5.379 12.420 0.399) 13.541 3.564 ( 7.207 7.337 1.618) 10.411 3.649 ( -9.670 3.552 5.361) 11.613 3.844 ( -0.389 -1.521 10.111) 10.232 3.997 ( -0.030 -4.571 -6.626) 8.050 4.066 ( -5.021 2.203 -1.615) 5.716 4.148 ( 4.682 -5.859 2.991) 8.075 4.237 ( 7.753 -4.776 0.034) 9.106 4.325 ( -0.239 -5.194 -2.689) 5.854 4.544 ( -2.529 1.513 -6.218) 6.881 4.611 ( 1.682 -6.112 -0.529) 6.361 4.648 ( -1.142 -10.215 3.472) 10.849 4.800 ( 3.472 -7.938 4.995) 10.001 4.851 ( -2.879 -3.760 -4.777) 6.726 5.039 ( -3.317 4.229 -14.326) 15.301 5.085 ( 2.741 1.985 -6.977) 7.755 5.459 ( 4.474 5.037 -4.393) 8.043 5.489 ( -2.571 -5.812 -9.179) 11.164 5.669 ( 0.197 5.285 -5.555) 7.670 5.675 ( 1.705 -1.570 6.125) 6.549 5.779 ( 1.320 -0.057 -3.070) 3.342 5.928 ( -2.452 1.417 5.202) 5.923 6.157 ( 0.032 3.025 5.035) 5.873 6.192 ( -3.377 4.498 3.429) 6.587 6.286 ( 2.869 -2.279 -1.308) 3.890 6.299 ( -0.343 -3.718 1.099) 3.892 6.516 ( -3.661 -2.362 -1.904) 4.755 6.589 ( 1.545 -3.718 0.753) 4.096 6.651 ( 3.868 4.132 5.873) 8.156 6.708 ( 0.872 6.555 1.718) 6.832 6.891 ( -3.551 -3.033 3.232) 5.679 7.025 ( 0.662 -2.139 2.281) 3.197 7.215 ( 0.595 -2.152 -0.406) 2.270 7.322 ( -2.132 -1.354 2.296) 3.413 7.900 ( -1.596 6.254 5.039) 8.188 8.032 ( -2.541 -4.510 -5.454) 7.520 8.225 ( -3.569 1.954 -2.264) 4.657 8.349 ( 1.947 0.792 -5.272) 5.676 8.463 ( 0.612 -0.639 2.904) 3.036 8.627 ( 6.036 0.524 2.877) 6.708 8.670 ( -3.237 -3.431 5.279) 7.079 8.817 ( 1.424 -3.511 3.341) 5.051 9.006 ( -0.474 -0.645 1.775) 1.947 9.227 ( 2.641 -3.395 -0.579) 4.340 9.380 ( 0.802 -2.509 -5.689) 6.269 9.428 ( 0.617 0.128 -5.271) 5.308 9.596 ( -0.581 -2.125 4.900) 5.373 9.702 ( -1.155 -1.844 -0.754) 2.303 9.797 ( -5.088 -1.842 -0.394) 5.425 9.932 ( 1.823 1.420 -0.876) 2.472 10.208 ( 0.401 8.744 8.765) 12.387 10.334 ( -3.078 8.252 2.354) 9.116 10.545 ( 3.840 2.750 -3.033) 5.613 10.725 ( -6.230 0.254 -5.885) 8.574 10.840 ( 6.562 1.566 3.425) 7.566 11.143 ( -0.199 2.972 -3.385) 4.509 11.830 ( 0.087 0.990 1.406) 1.722 12.029 ( 0.589 3.579 10.472) 11.082 12.083 ( 1.638 2.756 -3.155) 4.498 12.463 ( 0.564 14.203 -0.929) 14.244 12.497 ( -5.183 6.588 -3.174) 8.963 12.564 ( -2.173 -3.511 -4.064) 5.793 12.782 ( 5.611 6.999 9.354) 12.960 13.239 ( -0.551 7.804 -2.958) 8.364 13.321 ( 1.253 -0.186 -1.891) 2.276 13.522 ( -0.719 4.016 -6.699) 7.844 13.807 ( -1.114 1.990 4.626) 5.158 13.933 ( -2.240 -1.556 1.018) 2.911 14.080 ( -3.001 -5.220 3.369) 6.900 14.400 ( 7.034 1.549 -8.068) 10.815 14.742 ( -4.916 5.384 6.851) 10.004 14.811 ( -3.130 -2.936 3.367) 5.455 15.050 ( 2.752 -0.124 -2.553) 3.756 15.268 ( 1.939 1.821 -6.962) 7.453 15.351 ( 2.140 -0.879 4.117) 4.723 15.639 ( 2.270 -7.109 5.233) 9.115 15.893 ( -0.297 -0.943 -6.960) 7.030 15.986 ( 3.523 -0.268 -8.396) 9.109 16.306 ( -2.873 -3.235 0.991) 4.439 16.419 ( 1.866 -0.863 -1.082) 2.323 16.771 ( 4.519 -4.386 1.493) 6.472 16.862 ( -5.840 -5.945 0.695) 8.363 17.269 ( -0.568 -4.508 4.435) 6.349 17.469 ( -2.880 4.985 4.436) 7.268 17.624 ( -2.548 -6.629 3.162) 7.774 17.815 ( -2.764 -0.096 3.677) 4.601 18.015 ( -1.595 2.655 -6.070) 6.815 18.197 ( 8.416 -2.205 5.041) 10.055 18.379 ( 0.122 -7.072 -5.335) 8.860 18.691 ( 6.832 1.451 -15.422) 16.930 19.177 ( 0.889 9.090 3.218) 9.684 19.421 ( 1.309 7.409 -1.552) 7.683 19.542 ( -10.189 4.839 16.089) 19.649 20.284 ( 3.264 -1.588 -9.073) 9.772 20.446 ( -1.871 -0.194 1.053) 2.156 20.498 ( 0.446 0.364 -2.252) 2.325 21.344 ( -7.335 1.382 4.904) 8.931 21.377 ( 3.667 -4.059 0.750) 5.521 21.556 ( 3.581 -1.700 1.889) 4.391 21.666 ( -2.729 1.703 1.352) 3.489 21.725 ( -0.963 0.201 -0.058) 0.985 22.157 ( 1.736 -4.376 -10.714) 11.702 ======================= Grid point 78 (36/90) ======================= q-point: ( 0.14 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 9.976 29.800 9.293) 32.771 1.835 ( 19.389 21.994 17.476) 34.133 2.519 ( 11.944 11.642 -17.573) 24.228 2.618 ( 5.509 5.261 -17.036) 18.661 3.041 ( 6.156 30.314 16.496) 35.056 3.334 ( -6.977 8.410 -1.023) 10.976 3.468 ( -11.181 9.007 7.577) 16.235 3.526 ( 14.450 10.846 5.153) 18.788 3.644 ( 2.234 8.872 2.081) 9.383 3.795 ( -10.534 -0.932 -3.590) 11.168 3.936 ( -2.133 -4.698 2.318) 5.657 3.998 ( 0.079 -3.127 -1.041) 3.297 4.224 ( -0.177 -1.615 10.263) 10.391 4.332 ( 1.547 -5.866 -0.597) 6.096 4.359 ( 3.449 -6.400 -4.142) 8.367 4.487 ( 0.678 0.836 -1.770) 2.072 4.626 ( 0.417 -2.447 2.045) 3.216 4.693 ( 6.031 3.208 -6.712) 9.577 4.765 ( -2.492 -7.256 -4.172) 8.733 4.900 ( 3.536 -8.699 3.636) 10.069 5.000 ( 5.173 0.918 -10.717) 11.935 5.136 ( 3.636 3.705 -2.209) 5.641 5.367 ( -3.033 -7.130 -13.913) 15.925 5.507 ( 1.400 -1.847 -1.607) 2.820 5.663 ( 1.106 7.819 -3.632) 8.692 5.683 ( -1.010 5.641 -2.573) 6.282 5.832 ( 2.447 -9.205 2.166) 9.768 5.884 ( -2.794 5.168 3.353) 6.765 6.097 ( -4.704 2.571 4.437) 6.959 6.124 ( -4.918 0.200 2.949) 5.738 6.303 ( 1.067 3.835 -0.948) 4.092 6.376 ( -0.767 -5.609 -0.744) 5.710 6.450 ( 1.063 1.415 2.230) 2.847 6.554 ( -2.493 0.454 -2.865) 3.824 6.766 ( 4.157 -3.836 3.948) 6.898 6.820 ( 6.638 7.636 6.348) 11.944 6.878 ( 1.213 -5.763 -0.416) 5.904 7.054 ( 0.684 -0.776 3.284) 3.443 7.237 ( 3.215 -3.196 -1.833) 4.889 7.380 ( 6.335 -0.263 2.334) 6.757 7.920 ( 1.305 8.549 4.157) 9.595 7.976 ( -1.687 -2.208 1.221) 3.035 8.126 ( -5.101 0.889 -3.520) 6.261 8.347 ( 0.444 -0.240 -4.735) 4.762 8.473 ( -0.923 0.675 0.571) 1.278 8.600 ( -2.771 -0.313 1.863) 3.353 8.740 ( -0.251 -5.013 2.643) 5.672 8.816 ( -3.568 -3.497 2.291) 5.496 8.982 ( -1.074 0.065 3.273) 3.445 9.218 ( -4.177 -2.455 1.535) 5.083 9.304 ( -3.198 0.961 -5.318) 6.279 9.416 ( -1.789 -5.052 -5.183) 7.455 9.624 ( 0.641 -2.089 3.499) 4.126 9.638 ( -3.413 1.653 -2.274) 4.422 9.741 ( -0.041 -1.011 1.503) 1.812 9.925 ( -2.797 3.454 0.744) 4.506 10.170 ( -6.280 6.849 3.033) 9.774 10.351 ( 1.615 7.430 5.620) 9.455 10.536 ( -3.269 3.359 -2.263) 5.205 10.726 ( 7.329 -0.596 -4.238) 8.487 11.012 ( 8.637 0.488 -0.342) 8.657 11.182 ( 7.487 2.196 -4.420) 8.968 11.815 ( -2.584 -0.579 1.254) 2.930 12.089 ( 1.645 2.365 -1.712) 3.351 12.104 ( -0.059 0.967 11.952) 11.991 12.360 ( -6.615 7.909 -1.691) 10.448 12.450 ( -2.164 2.583 -4.023) 5.248 12.534 ( 0.716 5.900 -0.874) 6.008 12.896 ( 1.110 5.827 6.851) 9.062 13.169 ( -3.954 8.506 -5.286) 10.767 13.316 ( -1.246 1.585 -1.948) 2.803 13.468 ( -0.759 3.871 -5.063) 6.419 13.773 ( -4.993 1.503 6.396) 8.252 13.803 ( -6.272 3.470 2.490) 7.588 14.071 ( -2.926 -1.007 -0.188) 3.100 14.495 ( -3.920 0.365 -1.447) 4.195 14.555 ( -3.900 1.627 -4.017) 5.831 14.809 ( 0.725 -0.731 3.253) 3.412 15.101 ( 5.745 -3.620 -2.658) 7.292 15.310 ( 2.922 0.543 -1.149) 3.186 15.498 ( 8.734 1.736 4.978) 10.202 15.728 ( 3.194 -6.704 5.064) 8.989 15.879 ( 1.790 -1.398 -5.082) 5.566 16.060 ( 8.259 -3.847 -11.013) 14.293 16.248 ( -3.385 -4.649 -0.513) 5.774 16.425 ( -1.830 -1.250 2.879) 3.633 16.721 ( -8.696 -2.609 2.243) 9.352 16.819 ( -0.497 -4.331 -0.142) 4.362 17.179 ( -10.660 -0.069 3.381) 11.184 17.406 ( -4.642 -0.518 -1.619) 4.944 17.541 ( -5.796 0.825 4.941) 7.661 17.778 ( -2.527 0.014 2.918) 3.860 17.938 ( -3.599 2.266 -4.686) 6.328 18.327 ( 5.425 -5.535 0.181) 7.752 18.436 ( 5.123 -7.836 1.524) 9.485 18.696 ( 1.398 0.443 -13.963) 14.039 19.251 ( 4.214 7.285 0.834) 8.457 19.422 ( -9.336 6.919 16.179) 19.919 19.487 ( 5.910 7.547 -1.814) 9.756 20.200 ( -7.835 1.869 -10.050) 12.880 20.416 ( -1.254 -0.222 0.772) 1.489 20.456 ( -2.472 2.143 3.298) 4.646 21.257 ( -0.444 0.943 1.484) 1.813 21.507 ( 4.204 -1.027 2.504) 5.000 21.634 ( 0.626 -0.413 -0.815) 1.108 21.668 ( 3.022 -1.184 2.138) 3.886 21.712 ( 2.813 -3.644 0.638) 4.647 22.204 ( 7.338 -3.613 -8.873) 12.068 ======================= Grid point 79 (37/90) ======================= q-point: ( 0.29 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 13.654 22.073 6.965) 26.873 2.261 ( 17.867 18.138 13.379) 28.762 2.669 ( 8.671 17.219 -5.213) 19.971 2.760 ( 15.807 7.359 -16.256) 23.839 3.085 ( -14.050 7.123 -0.413) 15.758 3.302 ( -11.161 10.887 6.525) 16.902 3.352 ( 8.453 4.591 4.351) 10.557 3.532 ( -3.987 5.070 -3.620) 7.396 3.699 ( 6.177 5.770 1.858) 8.655 3.870 ( 4.155 11.014 7.605) 14.014 3.934 ( 9.894 0.488 3.087) 10.376 4.022 ( 2.037 0.050 -3.464) 4.019 4.235 ( -3.342 0.120 12.142) 12.594 4.337 ( 1.670 -4.199 -5.684) 7.261 4.350 ( -1.797 -8.834 3.185) 9.561 4.543 ( -1.216 6.005 -1.958) 6.432 4.612 ( -0.837 -2.133 -0.751) 2.412 4.710 ( 2.652 -0.472 -7.242) 7.727 4.786 ( 3.169 1.344 -5.321) 6.337 4.969 ( -0.026 -1.832 4.549) 4.905 5.040 ( 0.107 0.226 -4.606) 4.613 5.191 ( 5.696 0.757 -0.578) 5.775 5.317 ( 5.119 -9.007 -10.636) 14.848 5.528 ( 3.112 -6.342 -0.929) 7.125 5.630 ( -2.533 3.004 -2.416) 4.613 5.653 ( -2.362 6.857 -3.648) 8.118 5.805 ( -2.888 -4.949 -0.559) 5.757 5.900 ( -0.678 -1.672 3.150) 3.630 6.036 ( -1.418 1.601 0.669) 2.241 6.098 ( 1.121 0.143 1.583) 1.945 6.266 ( -7.192 0.936 0.650) 7.282 6.350 ( 3.792 1.801 -4.291) 6.003 6.452 ( -2.037 -7.546 -0.890) 7.867 6.564 ( 2.616 9.350 1.540) 9.830 6.848 ( 1.536 -2.299 1.151) 2.995 6.898 ( 2.355 -5.007 -2.756) 6.181 6.932 ( 1.464 2.643 7.276) 7.878 7.102 ( 2.553 -0.991 5.247) 5.919 7.347 ( 9.098 -2.458 -1.829) 9.600 7.533 ( 8.006 0.709 1.438) 8.165 7.960 ( -0.716 5.396 4.440) 7.025 7.983 ( -2.104 1.782 4.812) 5.546 8.016 ( -1.343 2.553 -2.792) 4.015 8.327 ( 0.190 -1.756 -4.248) 4.600 8.444 ( -2.221 3.701 0.762) 4.383 8.549 ( -4.196 -2.221 0.652) 4.792 8.675 ( -5.187 -1.258 -0.520) 5.363 8.738 ( -3.378 -3.698 0.377) 5.023 8.998 ( -1.374 -1.658 3.955) 4.503 9.094 ( -7.337 -2.989 -1.650) 8.093 9.245 ( -2.069 2.801 -0.331) 3.498 9.311 ( -5.502 -5.132 -5.309) 9.209 9.566 ( -4.011 -0.756 2.522) 4.798 9.640 ( 0.295 0.327 -0.807) 0.919 9.794 ( 1.951 3.077 2.740) 4.559 9.853 ( -3.042 3.362 0.124) 4.536 10.079 ( -3.373 5.615 1.497) 6.719 10.375 ( -1.508 5.486 2.732) 6.312 10.507 ( 0.989 3.897 0.393) 4.040 10.817 ( 3.927 0.117 -5.052) 6.399 11.166 ( 9.222 1.422 -1.197) 9.408 11.364 ( 12.528 0.764 -4.234) 13.247 11.744 ( -5.384 -0.382 1.081) 5.505 12.069 ( -2.738 1.831 -0.774) 3.383 12.168 ( -0.068 -3.045 9.488) 9.965 12.232 ( -6.121 6.166 -1.585) 8.831 12.391 ( -1.260 -0.899 -2.989) 3.366 12.558 ( 1.031 9.558 1.892) 9.798 12.858 ( -5.487 8.756 0.415) 10.342 13.110 ( -0.189 7.808 -1.327) 7.922 13.288 ( 0.509 1.823 -3.427) 3.915 13.442 ( -1.288 2.826 -1.254) 3.349 13.691 ( -6.493 0.441 6.807) 9.417 13.760 ( 0.154 5.025 1.371) 5.211 13.983 ( -4.875 4.100 -1.133) 6.470 14.247 ( -13.395 2.962 0.669) 13.735 14.610 ( 4.879 0.110 -7.092) 8.609 14.863 ( 2.714 -3.780 3.459) 5.798 15.221 ( 7.853 -6.049 -5.727) 11.448 15.354 ( 1.922 0.634 -0.787) 2.171 15.681 ( 7.818 1.128 5.313) 9.520 15.799 ( 2.913 -5.905 2.138) 6.923 15.918 ( 3.664 0.933 -0.246) 3.789 16.099 ( -0.922 -1.286 -7.771) 7.930 16.210 ( 1.202 -6.983 -1.660) 7.277 16.364 ( -6.684 -1.879 5.991) 9.171 16.577 ( -10.671 -1.707 9.166) 14.170 16.731 ( -6.898 1.008 -3.963) 8.019 17.002 ( -4.987 -0.343 -3.384) 6.036 17.311 ( -2.250 -3.346 -7.304) 8.343 17.495 ( -2.185 4.456 6.105) 7.868 17.758 ( -0.903 -0.472 2.213) 2.437 17.850 ( -3.431 2.038 -2.997) 4.991 18.442 ( 5.498 -6.907 1.441) 8.945 18.509 ( 1.407 -9.591 3.031) 10.156 18.637 ( -0.154 0.679 -13.929) 13.946 19.249 ( -7.009 6.206 11.960) 15.188 19.423 ( 3.890 8.398 2.433) 9.570 19.587 ( 4.568 7.301 -0.976) 8.667 19.987 ( -8.419 7.143 -5.859) 12.499 20.414 ( 0.610 -0.727 0.745) 1.207 20.446 ( -1.251 0.853 3.766) 4.059 21.302 ( 3.025 0.103 1.909) 3.578 21.527 ( -1.361 0.733 0.980) 1.830 21.608 ( -1.317 -0.366 -2.073) 2.483 21.717 ( 3.108 -4.032 -3.143) 5.982 21.863 ( 7.181 -5.921 6.612) 11.417 22.308 ( 6.944 -4.295 -6.728) 10.580 ======================= Grid point 80 (38/90) ======================= q-point: ( 0.43 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 11.644 14.489 2.348) 18.736 2.596 ( 6.360 14.362 7.923) 17.592 2.733 ( -10.048 12.882 5.681) 17.297 2.879 ( 9.634 15.465 -1.468) 18.280 2.964 ( 2.629 14.320 -1.613) 14.649 3.038 ( -7.761 12.258 -6.104) 15.740 3.344 ( -0.756 -0.929 1.925) 2.268 3.634 ( 1.210 -4.390 0.261) 4.561 3.785 ( 0.314 1.955 1.292) 2.364 3.947 ( 3.798 -5.580 -5.042) 8.425 4.119 ( 12.883 7.535 1.345) 14.985 4.152 ( -0.435 4.844 -0.734) 4.919 4.211 ( -2.865 0.275 2.711) 3.954 4.335 ( 0.699 -3.015 3.635) 4.774 4.403 ( 3.168 0.739 5.834) 6.680 4.494 ( 0.620 1.633 -0.052) 1.748 4.506 ( -8.613 6.847 6.266) 12.662 4.712 ( 0.914 3.738 -8.809) 9.613 4.768 ( -2.956 -6.517 -3.689) 8.051 4.964 ( -0.386 5.864 1.428) 6.048 5.009 ( 2.094 7.659 -3.218) 8.567 5.339 ( 4.072 -10.291 -0.781) 11.095 5.419 ( 9.172 -6.884 -5.628) 12.774 5.479 ( -5.969 -1.839 -3.459) 7.140 5.582 ( -2.410 5.437 -3.203) 6.755 5.661 ( 5.486 -5.829 3.189) 8.617 5.773 ( -0.774 -3.450 0.853) 3.637 5.857 ( -2.260 -1.522 -0.175) 2.730 6.061 ( 1.204 1.183 -0.179) 1.697 6.123 ( -6.372 -3.404 -2.659) 7.698 6.163 ( 4.878 2.117 -1.649) 5.567 6.324 ( -2.882 3.631 -5.299) 7.040 6.478 ( 2.227 -3.453 -0.587) 4.151 6.604 ( 0.719 5.593 3.683) 6.735 6.809 ( -1.564 -4.413 -3.301) 5.729 6.949 ( 0.468 -4.631 4.936) 6.785 6.990 ( 2.547 2.672 1.430) 3.959 7.150 ( -1.689 -0.337 5.965) 6.209 7.513 ( 7.778 -0.357 -2.089) 8.061 7.653 ( 3.545 2.822 -1.140) 4.672 7.876 ( -5.959 -4.275 3.093) 7.959 7.958 ( -1.069 5.477 3.700) 6.695 8.083 ( 3.584 7.127 2.075) 8.243 8.349 ( 2.885 0.314 0.017) 2.902 8.378 ( -3.561 0.944 -1.989) 4.187 8.477 ( -2.637 -2.846 -0.354) 3.896 8.604 ( -2.002 1.087 -1.972) 3.014 8.663 ( -4.526 -1.090 -0.470) 4.679 8.953 ( -3.731 -2.882 0.868) 4.794 8.999 ( -0.520 -2.052 -1.351) 2.512 9.200 ( -1.866 1.559 1.773) 3.009 9.250 ( 0.480 -2.112 -0.086) 2.168 9.500 ( -3.591 -1.895 1.548) 4.345 9.628 ( -1.501 0.200 -1.656) 2.244 9.784 ( -0.227 1.407 1.839) 2.326 9.857 ( 0.050 6.178 0.580) 6.205 10.073 ( 1.016 5.769 1.833) 6.137 10.356 ( -0.531 3.411 0.559) 3.497 10.537 ( 0.492 4.356 1.424) 4.609 10.836 ( 1.492 1.537 -5.147) 5.575 11.337 ( 7.781 2.079 1.102) 8.129 11.567 ( 8.833 0.705 -4.010) 9.727 11.649 ( -2.701 0.178 1.370) 3.034 11.972 ( -7.512 -0.523 1.523) 7.683 12.102 ( -5.985 0.408 -2.295) 6.423 12.192 ( -0.030 1.549 0.935) 1.809 12.398 ( 2.466 0.693 0.825) 2.691 12.571 ( -1.031 9.591 1.446) 9.754 12.784 ( -1.788 8.388 1.248) 8.667 13.106 ( 0.367 8.428 -1.553) 8.578 13.328 ( 4.710 1.756 -1.755) 5.324 13.384 ( -4.584 -0.304 -0.020) 4.595 13.618 ( -3.340 -0.737 4.495) 5.648 13.801 ( 2.118 7.214 1.493) 7.665 13.907 ( -1.825 5.906 -1.720) 6.417 14.045 ( -7.248 2.261 -0.721) 7.627 14.660 ( 3.223 0.554 -3.164) 4.550 14.926 ( 2.076 -4.695 3.012) 5.952 15.289 ( 2.216 -6.902 -10.014) 12.363 15.374 ( 1.368 1.155 -2.005) 2.688 15.804 ( 0.494 -5.998 4.779) 7.685 15.870 ( 4.390 -4.510 -1.559) 6.484 15.985 ( 1.573 5.593 2.976) 6.528 16.031 ( -1.783 0.584 -1.731) 2.553 16.212 ( -2.573 -4.367 3.979) 6.444 16.327 ( 4.325 2.398 0.179) 4.948 16.381 ( -11.744 -3.573 8.556) 14.963 16.610 ( -5.491 3.769 0.931) 6.725 16.949 ( 0.656 -4.538 -7.208) 8.543 17.273 ( 2.692 -2.548 -10.579) 11.209 17.505 ( 0.058 3.368 5.723) 6.640 17.762 ( 0.263 -0.936 0.727) 1.214 17.792 ( -1.217 2.614 -1.171) 3.112 18.436 ( -7.613 -8.191 6.938) 13.160 18.572 ( 0.540 -1.796 -10.316) 10.485 18.598 ( 6.668 -6.047 -5.569) 10.585 19.179 ( -5.924 5.724 12.584) 15.040 19.516 ( 4.741 9.700 -0.273) 10.800 19.632 ( 0.365 7.031 0.518) 7.060 19.870 ( -1.372 7.556 -3.840) 8.586 20.425 ( -2.408 -0.313 4.074) 4.743 20.446 ( 1.656 -1.245 0.672) 2.178 21.356 ( 1.040 0.636 2.816) 3.069 21.505 ( -0.851 0.896 0.759) 1.450 21.588 ( 0.411 -1.552 -1.968) 2.540 21.737 ( 0.692 -4.508 -4.777) 6.605 21.985 ( 1.960 -5.808 6.688) 9.072 22.383 ( 3.871 -5.060 -5.299) 8.287 ======================= Grid point 81 (39/90) ======================= q-point: (-0.43 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -18.842 16.106 0.850) 24.802 2.524 ( -20.710 18.902 3.337) 28.237 2.677 ( 5.901 7.567 3.086) 10.080 2.863 ( 4.347 13.920 -0.324) 14.586 3.168 ( 12.606 15.386 0.631) 19.901 3.236 ( 14.470 8.468 8.365) 18.737 3.384 ( 5.082 1.516 -4.949) 7.254 3.555 ( -7.404 -1.459 1.161) 7.635 3.743 ( -5.010 0.688 -0.829) 5.124 3.918 ( -11.080 6.484 2.131) 13.013 3.979 ( -10.990 10.642 -4.023) 15.818 4.041 ( -6.335 1.249 -2.694) 6.996 4.273 ( -11.110 1.955 1.616) 11.396 4.379 ( 4.456 -2.168 8.107) 9.502 4.392 ( 6.660 2.758 -1.307) 7.326 4.495 ( 4.463 -9.063 -0.391) 10.110 4.619 ( 1.463 -4.687 -1.962) 5.288 4.683 ( 1.960 0.223 -3.321) 3.863 4.765 ( -0.622 -2.836 4.438) 5.303 4.999 ( -5.375 5.397 -1.262) 7.720 5.024 ( 5.108 5.019 1.900) 7.409 5.236 ( 1.129 -3.437 -6.293) 7.259 5.504 ( 2.147 -4.374 -3.462) 5.977 5.532 ( 1.524 4.395 -8.689) 9.856 5.599 ( 6.072 -4.116 2.929) 7.899 5.646 ( -2.475 -2.221 -1.246) 3.551 5.810 ( 1.178 -2.916 5.906) 6.691 5.872 ( -0.533 0.738 2.234) 2.412 6.020 ( 0.415 -7.186 -5.177) 8.866 6.049 ( -2.716 3.141 -2.554) 4.875 6.180 ( -2.135 -0.614 -2.790) 3.567 6.321 ( 5.702 0.841 -3.481) 6.733 6.475 ( -1.410 3.227 1.405) 3.791 6.605 ( -1.045 1.603 -1.025) 2.171 6.805 ( -0.857 -3.999 2.039) 4.569 6.931 ( -4.266 -1.699 -2.964) 5.465 7.033 ( 0.981 -4.362 5.033) 6.732 7.107 ( -3.894 3.997 6.972) 8.930 7.533 ( -5.148 1.245 -2.471) 5.845 7.630 ( -5.233 1.628 -0.924) 5.558 7.863 ( 3.029 -3.263 3.529) 5.681 7.981 ( 2.322 2.384 2.218) 3.999 8.144 ( 0.113 5.900 5.161) 7.839 8.263 ( -2.483 1.269 -2.103) 3.493 8.462 ( 0.765 0.930 1.570) 1.979 8.476 ( 6.334 -5.402 -2.893) 8.813 8.572 ( -0.816 0.771 0.602) 1.274 8.615 ( 2.525 2.997 -4.412) 5.901 8.897 ( -2.132 -2.414 -1.777) 3.679 9.050 ( 5.403 -0.736 -0.037) 5.453 9.248 ( 4.585 1.266 4.889) 6.821 9.254 ( -1.158 -1.030 1.620) 2.242 9.467 ( 0.363 -2.248 -1.871) 2.947 9.605 ( 1.464 -2.743 -3.323) 4.551 9.803 ( 0.510 1.763 3.975) 4.379 9.865 ( 0.357 5.634 0.432) 5.662 10.096 ( 0.187 6.622 2.574) 7.107 10.360 ( 0.337 3.540 0.033) 3.556 10.515 ( -2.847 4.455 0.944) 5.371 10.850 ( 2.210 1.401 -4.509) 5.213 11.381 ( -4.621 3.357 2.305) 6.159 11.627 ( 3.483 -0.429 2.318) 4.206 11.666 ( -4.491 -4.751 -6.073) 8.923 11.887 ( 0.697 1.620 4.212) 4.566 11.987 ( -2.804 1.428 -5.477) 6.316 12.223 ( 3.645 4.055 0.477) 5.473 12.469 ( 2.890 1.943 3.014) 4.605 12.541 ( -0.877 10.482 -0.950) 10.561 12.787 ( -0.030 6.678 2.662) 7.189 13.127 ( 2.493 7.928 -1.699) 8.482 13.276 ( -3.901 -1.378 -2.834) 5.015 13.434 ( 5.198 2.331 0.763) 5.748 13.619 ( 0.587 -2.183 5.163) 5.636 13.785 ( -3.319 2.572 0.756) 4.267 13.896 ( 1.077 8.386 -1.789) 8.642 14.040 ( 7.181 6.720 -1.201) 9.907 14.706 ( 2.536 -1.188 0.357) 2.823 14.950 ( -1.154 -4.984 0.110) 5.117 15.218 ( -4.037 -4.682 -8.137) 10.219 15.379 ( 0.348 0.453 -3.561) 3.606 15.735 ( -7.363 -3.858 0.192) 8.315 15.889 ( -5.102 -1.716 1.727) 5.653 15.982 ( -0.109 2.771 -0.949) 2.931 16.006 ( -0.525 -1.160 2.402) 2.718 16.274 ( 7.178 -2.146 1.599) 7.661 16.291 ( -2.233 -4.260 7.372) 8.802 16.482 ( 1.817 1.505 9.550) 9.838 16.546 ( 6.315 3.917 -4.823) 8.859 16.943 ( 2.798 -6.074 -7.839) 10.304 17.297 ( 4.466 -1.080 -8.486) 9.650 17.542 ( 0.757 2.163 4.897) 5.407 17.765 ( 1.872 1.054 -3.108) 3.778 17.808 ( 1.343 0.610 3.388) 3.695 18.288 ( -9.536 -6.736 2.921) 12.035 18.531 ( 0.830 -0.762 -11.249) 11.305 18.670 ( 2.035 -6.367 -2.429) 7.112 19.162 ( -1.843 5.060 11.224) 12.449 19.569 ( -0.494 10.784 1.698) 10.928 19.630 ( 0.358 5.202 0.173) 5.217 19.891 ( 5.240 8.211 -3.400) 10.316 20.388 ( -2.729 -0.524 2.503) 3.740 20.484 ( 1.143 -1.847 2.400) 3.237 21.361 ( -1.650 1.009 3.050) 3.612 21.509 ( 0.447 -0.312 1.288) 1.399 21.602 ( 1.779 -1.830 -1.468) 2.944 21.695 ( -2.244 -4.537 -5.817) 7.711 21.996 ( -3.927 -3.698 6.163) 8.191 22.399 ( 0.335 -6.739 -4.800) 8.280 ======================= Grid point 82 (40/90) ======================= q-point: (-0.29 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -18.619 22.649 2.775) 29.451 2.084 ( -25.357 22.216 2.484) 33.804 2.699 ( -2.025 6.539 -3.120) 7.523 3.049 ( 7.756 8.425 4.596) 12.339 3.168 ( -9.904 12.418 -4.063) 16.396 3.353 ( -3.017 8.398 4.312) 9.910 3.475 ( 0.536 9.279 -6.730) 11.475 3.522 ( -12.271 17.197 9.231) 23.055 3.687 ( 1.677 12.828 2.762) 13.228 3.706 ( 10.150 4.241 1.765) 11.141 3.836 ( -2.871 -0.138 1.955) 3.476 3.998 ( -2.120 -3.511 3.312) 5.272 4.107 ( -7.072 -0.229 1.001) 7.146 4.355 ( -5.445 -5.397 -4.112) 8.700 4.509 ( 2.434 -3.831 -0.804) 4.609 4.535 ( 1.649 -1.295 -6.816) 7.131 4.629 ( -0.405 -9.993 0.297) 10.006 4.693 ( -2.978 0.613 -0.383) 3.064 4.716 ( -2.745 -9.906 2.024) 10.476 4.859 ( 0.620 1.913 0.752) 2.147 5.152 ( 2.100 -2.406 -2.024) 3.781 5.304 ( 2.939 4.027 -1.904) 5.337 5.456 ( -2.510 4.000 -7.847) 9.158 5.534 ( 0.669 -1.707 0.023) 1.834 5.567 ( 0.651 1.121 -6.432) 6.561 5.760 ( 5.381 -7.129 3.399) 9.557 5.814 ( -2.721 2.105 -5.670) 6.632 5.900 ( 3.105 -3.762 5.437) 7.304 5.929 ( -3.464 -1.479 -4.337) 5.745 6.031 ( 0.880 3.245 3.297) 4.709 6.228 ( 5.638 -2.049 -1.687) 6.231 6.385 ( 1.283 0.106 0.468) 1.370 6.479 ( 0.557 2.199 2.819) 3.618 6.577 ( -1.295 3.152 -1.816) 3.862 6.725 ( -5.836 -0.482 -0.486) 5.876 6.841 ( -3.283 0.698 -3.098) 4.568 7.021 ( -2.868 -5.130 2.689) 6.463 7.093 ( -4.878 1.241 9.191) 10.479 7.376 ( -8.319 -0.038 -2.160) 8.595 7.506 ( -6.711 -2.065 1.640) 7.211 7.946 ( 3.325 -0.953 2.293) 4.150 8.005 ( -2.619 4.158 4.429) 6.615 8.178 ( 4.561 -0.970 3.269) 5.695 8.299 ( 3.877 1.828 -1.351) 4.494 8.454 ( -1.284 2.004 -0.992) 2.578 8.504 ( -0.986 -2.154 -0.954) 2.554 8.632 ( 6.898 -1.184 -2.292) 7.364 8.742 ( 9.710 1.894 0.616) 9.912 8.835 ( -3.718 -3.225 -2.681) 5.605 9.151 ( 2.862 -1.250 0.110) 3.125 9.240 ( 2.484 -2.166 -0.845) 3.402 9.395 ( 7.246 2.370 4.789) 9.003 9.482 ( 2.141 -1.791 -4.534) 5.325 9.655 ( 4.645 -1.501 -2.305) 5.398 9.827 ( -1.945 2.480 0.291) 3.165 9.869 ( 1.317 0.351 5.437) 5.605 10.120 ( 0.898 8.209 3.392) 8.928 10.360 ( 0.002 4.163 0.164) 4.166 10.484 ( -0.203 4.893 0.363) 4.911 10.844 ( -1.392 -0.284 -3.527) 3.803 11.271 ( -7.454 3.011 2.472) 8.410 11.372 ( -17.105 -7.236 -7.374) 19.983 11.748 ( 5.035 1.648 -1.584) 5.530 11.911 ( -0.164 2.359 6.869) 7.265 12.017 ( 4.888 4.512 -3.588) 7.558 12.334 ( 6.756 4.590 2.953) 8.685 12.480 ( -0.073 11.460 -1.043) 11.508 12.586 ( 2.984 1.829 2.998) 4.608 12.771 ( -2.861 5.824 -0.962) 6.560 13.152 ( 1.347 7.724 0.243) 7.845 13.268 ( 4.372 -1.520 -5.431) 7.136 13.514 ( 3.187 3.371 -1.742) 4.955 13.675 ( 2.242 -2.198 8.504) 9.065 13.741 ( -0.964 2.818 1.405) 3.293 13.973 ( 7.410 3.168 -1.271) 8.159 14.223 ( 11.795 10.654 -0.546) 15.904 14.752 ( 0.511 -4.084 0.603) 4.160 14.860 ( -5.773 -2.397 -4.468) 7.684 15.102 ( -4.892 -3.655 -2.726) 6.687 15.360 ( -0.895 -0.014 -1.491) 1.739 15.571 ( -9.479 2.059 -0.476) 9.712 15.757 ( -7.913 -5.787 2.868) 10.214 15.994 ( -1.052 -2.582 0.707) 2.876 16.010 ( 1.684 4.616 -5.066) 7.058 16.313 ( 1.088 -4.105 3.988) 5.826 16.383 ( 1.665 0.333 -4.753) 5.047 16.492 ( 3.256 -3.890 10.097) 11.299 16.790 ( 12.597 -1.572 -0.477) 12.704 17.000 ( 7.615 -3.827 -5.530) 10.160 17.365 ( 5.654 -0.157 -2.010) 6.003 17.566 ( -0.203 1.384 3.187) 3.481 17.826 ( 5.532 2.564 -3.552) 7.056 17.852 ( 1.026 -1.564 7.242) 7.479 18.140 ( -5.964 -4.186 -1.233) 7.390 18.494 ( 0.694 -2.181 -11.027) 11.262 18.655 ( -1.302 -3.170 -3.495) 4.895 19.194 ( -1.025 5.753 9.376) 11.048 19.523 ( -4.358 8.331 1.949) 9.601 19.641 ( -0.751 4.695 3.274) 5.773 20.026 ( 10.842 8.525 -5.491) 14.846 20.364 ( -0.343 0.076 1.682) 1.718 20.504 ( -0.563 -1.791 3.268) 3.769 21.338 ( -2.316 -0.496 3.711) 4.402 21.506 ( -2.035 -2.859 0.396) 3.531 21.609 ( -1.724 -4.072 -5.021) 6.691 21.647 ( 1.991 0.830 -0.499) 2.215 21.911 ( -7.662 -1.341 5.598) 9.584 22.349 ( -3.048 -8.855 -5.877) 11.056 ======================= Grid point 83 (41/90) ======================= q-point: (-0.14 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -17.804 24.913 6.427) 31.288 1.719 ( -12.265 31.843 5.092) 34.502 2.613 ( -4.606 8.121 -8.313) 12.501 2.859 ( -9.632 8.183 -8.649) 15.315 3.117 ( -17.946 34.922 14.560) 41.876 3.252 ( -4.228 7.207 0.751) 8.390 3.366 ( 10.426 11.240 1.073) 15.368 3.529 ( -2.795 13.571 0.231) 13.858 3.728 ( -1.839 2.982 8.895) 9.560 3.839 ( -1.745 1.001 4.861) 5.261 3.962 ( 11.841 -7.475 0.109) 14.003 4.006 ( 0.506 -2.320 -2.652) 3.560 4.063 ( 4.389 -0.181 5.587) 7.107 4.217 ( -4.635 -4.008 -7.371) 9.586 4.395 ( -5.631 -3.983 -4.471) 8.220 4.575 ( 3.728 -0.495 -0.403) 3.783 4.622 ( -1.583 -4.414 -4.128) 6.247 4.650 ( -3.699 -8.268 -0.381) 9.066 4.730 ( 2.603 -10.724 6.744) 12.932 4.897 ( 0.670 1.042 -1.421) 1.885 5.111 ( -1.226 -3.356 -10.433) 11.028 5.224 ( -7.971 2.706 -5.860) 10.257 5.410 ( 2.024 5.473 -5.853) 8.265 5.550 ( 0.641 -1.474 -8.818) 8.963 5.596 ( 2.762 -2.624 6.528) 7.559 5.717 ( -2.332 3.121 -8.342) 9.207 5.793 ( -0.439 -0.715 -2.287) 2.436 5.921 ( -0.371 -0.421 7.838) 7.858 6.018 ( 7.916 -1.465 1.819) 8.254 6.144 ( 6.589 -2.646 5.792) 9.163 6.274 ( -0.058 4.285 -2.281) 4.855 6.375 ( -3.320 -0.254 -0.422) 3.357 6.508 ( 2.105 -1.272 2.260) 3.340 6.550 ( 0.123 2.536 -0.235) 2.550 6.652 ( -3.624 -0.193 2.523) 4.420 6.753 ( -4.249 4.207 -1.493) 6.163 6.967 ( -5.955 -1.167 5.959) 8.505 7.025 ( -2.392 -3.958 2.282) 5.158 7.245 ( -4.000 -0.161 -1.770) 4.377 7.400 ( -6.298 -3.138 3.571) 7.891 7.930 ( -3.890 4.730 4.909) 7.849 8.054 ( 3.657 -4.451 -2.362) 6.226 8.264 ( 0.338 3.121 2.171) 3.817 8.329 ( 2.319 -3.336 -5.292) 6.672 8.453 ( -0.062 3.728 0.986) 3.857 8.499 ( 2.397 -0.042 3.670) 4.383 8.739 ( -1.035 -1.335 -4.834) 5.120 8.744 ( 1.814 -5.075 4.171) 6.815 8.934 ( 7.587 0.382 3.231) 8.255 9.169 ( 2.165 -3.398 -2.294) 4.636 9.325 ( 5.289 -1.387 -3.126) 6.298 9.469 ( -0.256 1.043 -4.597) 4.721 9.549 ( 4.479 -1.585 4.233) 6.363 9.703 ( 0.630 -1.182 -0.543) 1.445 9.821 ( 2.938 0.937 -2.026) 3.690 9.912 ( -0.458 -2.003 4.172) 4.650 10.153 ( 0.682 9.534 5.710) 11.134 10.367 ( -1.022 6.745 3.373) 7.610 10.508 ( 3.108 3.262 -3.797) 5.892 10.774 ( -3.129 -1.574 -0.895) 3.615 10.986 ( -16.061 -0.485 -5.222) 16.896 11.192 ( -3.644 2.490 -1.284) 4.596 11.806 ( 2.077 2.897 -0.011) 3.564 11.967 ( 1.229 2.750 8.936) 9.430 12.065 ( 2.309 4.377 -3.701) 6.180 12.439 ( 2.395 11.787 -0.473) 12.037 12.522 ( 3.795 0.752 0.840) 3.959 12.644 ( 1.390 8.324 1.665) 8.602 12.675 ( -4.470 3.209 0.160) 5.504 13.209 ( 3.732 8.604 -0.514) 9.393 13.312 ( 2.021 -2.303 -4.309) 5.287 13.539 ( 1.538 4.134 -4.907) 6.598 13.771 ( 2.565 2.021 2.249) 3.965 13.804 ( 7.077 -3.292 8.040) 11.205 14.107 ( 4.565 -1.951 1.906) 5.318 14.395 ( 2.423 4.596 -5.622) 7.655 14.675 ( 1.647 4.541 -2.289) 5.345 14.843 ( -0.545 -0.968 5.896) 6.000 15.021 ( -1.133 -3.840 -3.444) 5.281 15.330 ( -2.271 -1.219 -0.313) 2.596 15.397 ( -7.644 3.856 -1.527) 8.696 15.644 ( -4.946 -7.498 3.325) 9.578 15.954 ( -2.756 -2.035 -3.375) 4.809 15.991 ( 0.535 4.397 -7.208) 8.461 16.348 ( -2.071 -2.991 2.430) 4.375 16.372 ( 3.286 -1.372 -2.790) 4.524 16.644 ( 7.144 -5.355 4.386) 9.947 16.910 ( 1.398 -6.385 -1.490) 6.704 17.170 ( 8.999 -2.837 0.519) 9.450 17.468 ( 1.658 2.652 6.981) 7.650 17.587 ( 2.786 -3.103 0.355) 4.185 17.843 ( -2.171 -0.595 4.464) 4.999 17.992 ( 9.303 0.679 1.478) 9.444 18.066 ( -0.731 -0.459 -3.827) 3.923 18.441 ( -2.022 -6.142 -6.864) 9.430 18.635 ( 4.146 1.985 -11.451) 12.339 19.189 ( -3.429 7.940 7.119) 11.202 19.449 ( -3.327 7.234 -0.199) 7.965 19.623 ( -4.982 3.845 10.402) 12.158 20.203 ( 10.048 3.026 -9.332) 14.043 20.409 ( 4.505 1.927 0.646) 4.942 20.495 ( -1.718 -1.292 2.746) 3.487 21.316 ( -1.154 -3.187 2.959) 4.499 21.457 ( -2.762 -1.592 2.303) 3.933 21.556 ( -2.354 -3.015 -2.444) 4.540 21.691 ( 1.593 1.455 0.096) 2.160 21.780 ( -7.720 0.282 4.129) 8.759 22.238 ( -4.170 -8.193 -9.032) 12.887 ======================= Grid point 84 (42/90) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 4.200 23.935 9.588) 26.124 2.330 ( 0.033 30.761 3.614) 30.972 2.672 ( -0.469 10.344 -8.518) 13.408 2.883 ( -3.821 11.215 -12.122) 16.950 3.259 ( 3.859 3.169 5.756) 7.620 3.517 ( -2.615 0.454 3.736) 4.583 3.554 ( -4.234 5.093 -5.780) 8.790 3.658 ( -1.480 0.840 0.705) 1.842 3.781 ( 4.341 -3.669 0.394) 5.697 3.859 ( 0.192 -2.711 -3.738) 4.622 4.027 ( 0.058 -6.433 3.978) 7.564 4.032 ( -5.713 5.889 2.848) 8.685 4.122 ( 6.211 1.196 2.706) 6.880 4.194 ( 1.901 -3.761 -4.796) 6.385 4.226 ( 0.444 3.784 5.754) 6.901 4.393 ( 0.635 -12.604 2.647) 12.895 4.434 ( -4.931 -1.909 2.814) 5.990 4.585 ( 0.322 8.742 5.284) 10.220 4.716 ( 4.624 0.695 1.968) 5.073 4.791 ( -5.067 -4.234 1.160) 6.704 5.078 ( 1.605 -2.154 -11.378) 11.691 5.322 ( -0.384 10.836 -9.801) 14.616 5.329 ( -1.565 -2.305 -8.303) 8.758 5.456 ( -0.259 -3.141 3.863) 4.985 5.605 ( 0.994 -6.636 -0.686) 6.745 5.738 ( 1.225 -3.492 3.545) 5.125 5.834 ( 1.454 8.383 -3.975) 9.391 5.966 ( 1.173 2.377 -1.577) 3.085 6.138 ( 4.318 1.007 -2.655) 5.168 6.195 ( -1.016 1.853 4.315) 4.805 6.250 ( -4.196 1.331 -2.084) 4.871 6.375 ( 4.329 1.928 0.299) 4.748 6.502 ( -3.808 2.225 3.000) 5.334 6.570 ( -0.344 -0.214 -3.128) 3.155 6.744 ( 1.483 3.807 3.050) 5.099 6.863 ( -4.279 3.595 1.464) 5.778 6.907 ( -0.008 6.937 6.954) 9.823 7.014 ( 3.722 1.114 2.187) 4.458 7.162 ( -3.968 -3.452 -1.411) 5.445 7.301 ( 0.916 0.625 4.519) 4.653 7.908 ( 0.695 -6.208 -2.325) 6.666 8.038 ( -0.654 4.419 3.990) 5.990 8.150 ( -1.858 -10.852 -1.019) 11.057 8.309 ( 1.120 -2.063 0.837) 2.492 8.477 ( -2.296 -0.895 2.738) 3.683 8.583 ( 0.152 -1.404 1.594) 2.129 8.672 ( 0.738 1.776 -0.635) 2.026 8.754 ( 2.845 -2.032 -0.567) 3.541 8.977 ( -1.492 -1.547 2.518) 3.310 9.136 ( 3.682 -3.523 0.533) 5.124 9.300 ( -1.138 -4.048 -6.526) 7.763 9.442 ( -1.214 0.345 -7.250) 7.359 9.561 ( 0.722 -1.432 4.056) 4.362 9.655 ( 0.336 -2.440 -0.578) 2.530 9.763 ( -5.097 -0.919 3.342) 6.164 10.008 ( 4.577 5.372 -2.736) 7.569 10.325 ( -0.692 2.184 4.696) 5.225 10.495 ( -2.291 6.404 2.059) 7.106 10.598 ( 4.253 1.523 -2.725) 5.276 10.684 ( -2.476 -3.027 -2.399) 4.588 10.912 ( 0.936 5.382 2.476) 5.998 11.181 ( -0.757 0.435 -2.662) 2.801 11.860 ( -1.460 1.374 -0.691) 2.121 12.078 ( 0.718 1.845 5.809) 6.137 12.110 ( 1.646 0.352 -5.112) 5.382 12.426 ( -1.124 -6.948 -2.924) 7.621 12.699 ( -5.258 8.846 1.429) 10.389 12.765 ( 0.958 13.205 -0.365) 13.245 12.947 ( 2.957 7.786 5.505) 9.983 13.282 ( 1.953 0.272 -4.215) 4.654 13.435 ( 1.300 7.347 -0.999) 7.527 13.587 ( -0.459 1.608 -5.197) 5.460 13.845 ( -1.481 -2.214 9.094) 9.476 13.891 ( 2.842 -0.332 4.712) 5.513 14.050 ( -4.880 4.696 1.230) 6.883 14.449 ( 4.808 3.013 -9.916) 11.425 14.661 ( -9.039 -6.343 2.618) 11.349 14.796 ( 3.365 -4.034 -2.096) 5.656 15.167 ( 5.316 8.418 -0.064) 9.957 15.267 ( 1.290 -1.949 2.406) 3.355 15.362 ( -3.436 3.867 -0.495) 5.197 15.559 ( 2.515 -1.631 3.080) 4.298 15.834 ( -0.476 -2.948 -0.968) 3.139 15.994 ( -1.402 -0.019 -5.601) 5.774 16.236 ( -3.227 -3.006 1.542) 4.672 16.384 ( 1.933 -2.783 -0.560) 3.434 16.632 ( 0.032 -7.750 3.969) 8.707 16.781 ( 3.196 -1.937 -6.770) 7.733 17.187 ( 0.117 -3.456 5.188) 6.234 17.488 ( -6.617 -2.690 2.424) 7.543 17.589 ( -0.174 2.488 7.766) 8.157 17.813 ( -1.770 -0.167 3.248) 3.703 18.049 ( -1.653 0.444 -3.406) 3.812 18.172 ( 6.911 -0.139 -0.221) 6.916 18.256 ( 0.063 -4.758 -4.683) 6.676 18.723 ( 5.650 1.468 -16.902) 17.882 19.356 ( 0.200 7.903 3.618) 8.694 19.562 ( 0.247 4.887 4.845) 6.887 19.637 ( -6.392 5.131 7.294) 10.971 20.225 ( 1.526 -3.846 -8.192) 9.178 20.430 ( -1.845 -1.317 3.055) 3.804 20.494 ( 1.141 -0.020 -0.397) 1.208 21.277 ( -1.299 -4.600 0.902) 4.864 21.384 ( 2.014 1.126 -0.989) 2.510 21.536 ( 2.225 -0.231 3.250) 3.945 21.699 ( -3.191 1.377 1.282) 3.704 21.727 ( -2.580 0.086 0.309) 2.600 22.059 ( 2.945 -4.345 -6.289) 8.192 ======================= Grid point 85 (43/90) ======================= q-point: ( 0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 14.466 19.555 12.195) 27.210 2.401 ( 5.384 27.007 3.656) 27.780 2.720 ( 10.895 10.518 -12.197) 19.445 2.863 ( 7.995 15.776 -7.717) 19.296 3.318 ( -4.172 4.224 3.778) 7.037 3.424 ( -3.734 2.896 -1.077) 4.847 3.589 ( 4.242 -3.332 -1.300) 5.549 3.629 ( 1.670 1.639 -0.428) 2.379 3.754 ( -3.107 -5.929 -6.961) 9.658 3.832 ( -9.616 3.320 1.883) 10.346 3.937 ( 5.423 3.822 1.276) 6.756 4.134 ( 2.910 -3.165 2.109) 4.789 4.173 ( -0.077 -4.380 -6.792) 8.082 4.240 ( -0.336 -0.087 10.941) 10.946 4.289 ( 3.000 12.223 3.907) 13.178 4.409 ( 5.373 -5.991 4.138) 9.049 4.472 ( 5.376 -12.211 5.392) 14.390 4.663 ( 5.404 1.425 2.572) 6.152 4.695 ( -5.404 -1.026 1.670) 5.749 4.814 ( 3.583 2.765 1.095) 4.656 5.074 ( 4.255 -4.994 -8.652) 10.858 5.250 ( -1.940 -1.520 -11.759) 12.014 5.271 ( -0.827 11.327 -4.734) 12.304 5.458 ( -1.465 -2.867 2.961) 4.374 5.619 ( 1.596 -8.452 -3.243) 9.192 5.751 ( -1.595 -2.348 1.832) 3.379 5.838 ( -0.768 6.562 -1.787) 6.844 5.947 ( -2.326 5.074 -1.332) 5.739 6.119 ( -1.801 1.009 1.088) 2.334 6.145 ( -4.045 3.977 -2.225) 6.093 6.248 ( 2.429 1.631 -2.612) 3.922 6.441 ( -3.529 0.980 1.297) 3.885 6.497 ( -1.802 -2.487 -3.455) 4.622 6.529 ( 6.455 2.876 3.963) 8.102 6.796 ( -0.829 2.093 5.556) 5.995 6.811 ( 1.751 1.815 1.116) 2.758 7.001 ( 4.599 3.120 2.017) 5.912 7.028 ( -3.200 2.736 3.674) 5.588 7.174 ( 5.449 -2.087 0.018) 5.835 7.395 ( 7.266 2.359 2.449) 8.022 7.926 ( 1.806 -2.780 1.655) 3.706 8.048 ( -1.351 -4.387 -1.024) 4.704 8.110 ( -0.528 3.814 3.293) 5.066 8.320 ( -0.206 -3.302 -1.331) 3.566 8.449 ( -1.702 -2.463 2.269) 3.756 8.577 ( -1.493 -3.460 0.417) 3.792 8.649 ( -3.608 -0.851 1.779) 4.112 8.766 ( -1.074 -1.176 -3.930) 4.240 8.961 ( -1.450 -1.611 6.049) 6.425 9.158 ( -4.402 -2.799 0.926) 5.298 9.243 ( 1.050 -4.577 -6.722) 8.200 9.361 ( -3.910 -1.380 -6.313) 7.552 9.601 ( 0.950 -0.093 0.849) 1.278 9.647 ( -1.392 -0.457 -0.662) 1.608 9.742 ( 3.437 1.057 3.360) 4.922 10.024 ( -3.023 5.560 0.320) 6.337 10.265 ( -5.876 2.036 0.937) 6.289 10.499 ( 1.166 6.298 3.978) 7.540 10.594 ( -4.460 1.452 -2.256) 5.205 10.706 ( 6.767 -1.138 -2.745) 7.391 11.024 ( 8.181 1.226 0.545) 8.290 11.200 ( 4.929 -0.436 -2.297) 5.455 11.812 ( -3.150 0.486 -0.374) 3.210 12.096 ( -0.082 -0.483 1.287) 1.378 12.127 ( -0.077 1.068 1.984) 2.254 12.362 ( -3.107 -5.768 -5.308) 8.432 12.593 ( -6.248 11.774 2.019) 13.481 12.778 ( 0.107 11.848 0.498) 11.859 13.000 ( -0.000 3.255 4.195) 5.309 13.288 ( 0.212 2.884 -3.914) 4.867 13.389 ( -5.196 5.441 -0.917) 7.579 13.546 ( -1.214 2.743 -3.701) 4.764 13.787 ( -7.458 -0.643 8.735) 11.504 13.872 ( -3.512 2.840 5.367) 7.015 14.067 ( 2.155 1.899 -2.236) 3.640 14.463 ( -5.139 -2.352 -3.368) 6.579 14.561 ( 3.569 1.841 -5.581) 6.876 14.864 ( 3.636 -0.606 1.155) 3.863 15.097 ( -2.837 5.760 -3.535) 7.329 15.335 ( -0.184 0.558 3.417) 3.467 15.461 ( 9.482 -3.164 4.462) 10.947 15.642 ( 4.104 -2.202 0.635) 4.700 15.853 ( 2.768 -0.433 1.677) 3.266 15.997 ( 4.874 -3.005 -7.303) 9.281 16.163 ( -4.728 -3.422 -1.470) 6.019 16.379 ( -2.473 -3.166 1.471) 4.278 16.602 ( -3.940 -6.025 4.322) 8.396 16.805 ( 1.242 1.043 -4.777) 5.044 17.150 ( -7.402 -2.078 5.206) 9.285 17.355 ( -6.439 -2.848 -2.151) 7.362 17.602 ( -2.426 3.299 7.973) 8.963 17.774 ( -3.179 -0.440 2.595) 4.127 17.968 ( -4.428 0.581 -3.567) 5.716 18.226 ( 3.911 -4.120 -5.399) 7.837 18.319 ( 3.207 -3.555 3.265) 5.795 18.713 ( 1.801 1.017 -15.741) 15.877 19.403 ( 1.854 6.923 2.992) 7.767 19.533 ( -6.480 3.580 12.906) 14.878 19.651 ( 5.802 8.017 -1.891) 10.075 20.174 ( -2.897 -3.310 -8.471) 9.545 20.413 ( -1.280 -0.008 2.247) 2.586 20.489 ( -1.530 0.846 1.947) 2.616 21.245 ( 0.009 -1.989 -0.062) 1.990 21.473 ( 4.486 -1.862 0.889) 4.938 21.599 ( 1.090 -1.240 4.418) 4.716 21.665 ( -2.737 -0.784 -2.726) 3.942 21.689 ( 3.074 1.134 0.309) 3.291 22.125 ( 6.102 -3.514 -4.491) 8.352 ======================= Grid point 86 (44/90) ======================= q-point: ( 0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 6.901 18.160 3.177) 19.686 2.623 ( 13.525 17.722 6.901) 23.337 2.929 ( 15.809 9.904 -12.461) 22.434 3.067 ( 10.363 17.968 2.926) 20.948 3.194 ( -6.006 5.158 0.592) 7.939 3.400 ( -0.747 1.739 -2.528) 3.158 3.507 ( -5.991 7.248 1.998) 9.614 3.604 ( -4.715 5.071 -6.364) 9.404 3.721 ( -1.559 -5.048 -0.310) 5.292 3.814 ( 3.949 -4.283 0.721) 5.870 4.009 ( 5.136 0.032 -4.829) 7.049 4.149 ( 2.799 -3.052 1.093) 4.283 4.195 ( 1.388 -1.994 -0.450) 2.471 4.249 ( -2.119 2.269 10.569) 11.015 4.359 ( 3.132 0.852 -0.258) 3.257 4.563 ( 1.427 0.220 5.671) 5.852 4.598 ( -1.205 -1.466 -0.105) 1.901 4.670 ( 9.556 -9.250 5.334) 14.329 4.788 ( 7.232 -2.063 -0.687) 7.552 4.869 ( 0.340 6.201 5.867) 8.544 5.153 ( 3.409 2.884 -6.669) 8.025 5.175 ( 3.993 -4.882 -4.557) 7.781 5.258 ( 2.621 5.447 -5.187) 7.965 5.417 ( -4.767 -3.849 2.157) 6.496 5.629 ( 1.496 -3.332 -8.879) 9.601 5.705 ( -3.522 -0.258 0.418) 3.556 5.748 ( -6.539 -0.907 -1.403) 6.749 5.879 ( -4.282 5.281 0.720) 6.837 6.094 ( -0.147 3.889 -0.357) 3.908 6.115 ( 0.206 3.112 0.339) 3.137 6.260 ( -1.462 1.467 -0.018) 2.071 6.397 ( -0.983 -2.436 -6.684) 7.182 6.422 ( -0.254 1.485 0.962) 1.788 6.694 ( 5.084 -0.194 5.554) 7.532 6.770 ( -3.003 -4.401 -1.361) 5.498 6.864 ( 0.412 6.588 2.730) 7.143 6.993 ( 1.727 -1.850 1.191) 2.797 7.091 ( 1.348 3.577 4.804) 6.139 7.314 ( 9.310 -1.283 0.477) 9.411 7.571 ( 9.278 2.819 0.680) 9.720 7.945 ( -5.519 -2.697 0.697) 6.182 8.008 ( 3.089 -0.365 2.395) 3.925 8.166 ( 2.475 7.383 2.809) 8.278 8.301 ( -0.280 -1.160 -1.668) 2.051 8.425 ( -1.870 -3.900 0.205) 4.330 8.515 ( -5.129 -3.421 1.402) 6.322 8.587 ( -3.403 -3.577 3.375) 5.981 8.722 ( -0.206 1.058 -4.689) 4.811 8.950 ( -3.539 -2.293 4.278) 6.007 9.030 ( -5.907 -2.996 -2.670) 7.141 9.211 ( -3.507 -3.680 -8.241) 9.682 9.291 ( -0.197 1.132 1.434) 1.838 9.558 ( -3.956 0.242 0.599) 4.008 9.659 ( 1.425 0.836 0.405) 1.701 9.860 ( 0.928 3.648 3.145) 4.906 9.932 ( -0.929 3.665 -0.417) 3.804 10.168 ( -3.878 2.686 0.081) 4.718 10.483 ( -3.440 3.975 -2.719) 5.918 10.564 ( 1.117 2.302 3.730) 4.524 10.795 ( 3.758 -1.975 -3.156) 5.290 11.197 ( 10.903 1.409 -2.369) 11.246 11.355 ( 11.146 -1.392 0.116) 11.233 11.744 ( -4.002 0.854 0.435) 4.115 12.087 ( -1.478 -2.689 -0.872) 3.190 12.097 ( -5.334 0.208 5.511) 7.672 12.280 ( -2.116 -3.057 -6.814) 7.762 12.502 ( -4.624 11.191 4.569) 12.942 12.771 ( -1.102 9.465 0.993) 9.581 12.985 ( -2.771 2.935 0.481) 4.065 13.241 ( -1.930 4.433 -2.422) 5.407 13.317 ( -1.646 1.368 -0.015) 2.140 13.472 ( -5.758 -1.370 -1.826) 6.195 13.696 ( -5.325 1.830 6.300) 8.449 13.889 ( 2.674 6.472 5.468) 8.885 14.029 ( -3.732 -0.806 -5.973) 7.089 14.310 ( -8.533 5.074 1.985) 10.124 14.643 ( 6.878 3.387 -9.772) 12.420 14.918 ( 0.682 6.867 4.700) 8.349 15.099 ( 4.834 -5.039 -6.814) 9.757 15.367 ( 1.788 0.086 1.216) 2.164 15.616 ( 4.110 -4.935 6.379) 9.052 15.705 ( 3.529 -3.831 -2.288) 5.690 15.956 ( 5.862 2.212 5.352) 8.240 16.047 ( -3.470 -7.087 -1.187) 7.980 16.076 ( 2.293 -3.195 -4.654) 6.093 16.339 ( -1.065 0.304 0.615) 1.267 16.531 ( -7.614 -2.286 7.218) 10.738 16.765 ( -3.546 1.738 -2.013) 4.432 16.984 ( -9.586 -1.166 1.136) 9.724 17.256 ( -1.085 -1.959 -8.709) 8.992 17.584 ( -2.805 3.949 6.426) 8.047 17.741 ( -1.533 -1.195 2.649) 3.286 17.878 ( -3.090 0.604 -2.271) 3.883 18.308 ( 6.127 -5.768 -3.468) 9.101 18.350 ( -1.919 -5.616 5.240) 7.917 18.660 ( 0.819 1.274 -15.220) 15.295 19.371 ( -7.580 5.152 11.402) 14.629 19.570 ( 5.373 5.638 1.927) 8.023 19.748 ( 4.324 8.001 -1.394) 9.201 20.060 ( -4.259 0.352 -6.645) 7.901 20.406 ( -0.426 0.067 1.827) 1.877 20.467 ( -2.100 0.961 3.142) 3.899 21.285 ( 3.639 -1.884 -0.041) 4.098 21.507 ( -1.796 -2.990 3.217) 4.746 21.591 ( -1.583 0.108 -2.236) 2.742 21.646 ( 2.294 -2.431 -2.950) 4.458 21.803 ( 5.980 -0.617 4.125) 7.291 22.220 ( 5.584 -3.823 -3.683) 7.705 ======================= Grid point 87 (45/90) ======================= q-point: ( 0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 5.170 14.002 2.049) 15.066 2.800 ( 0.109 6.069 1.571) 6.270 3.064 ( 3.489 17.770 1.108) 18.143 3.172 ( 5.040 6.369 -3.397) 8.803 3.261 ( -1.467 12.484 -10.548) 16.409 3.280 ( 2.740 14.880 5.152) 15.983 3.456 ( -0.825 12.471 6.048) 13.885 3.559 ( -0.407 -0.382 -0.288) 0.628 3.708 ( -5.068 -6.677 2.469) 8.739 3.841 ( 6.841 -4.240 -6.950) 10.634 4.119 ( 3.882 -3.589 -2.334) 5.779 4.194 ( 0.073 -6.459 2.597) 6.962 4.221 ( -0.740 -1.287 6.633) 6.797 4.327 ( 10.615 8.967 -2.455) 14.110 4.386 ( 0.483 -7.350 -3.811) 8.293 4.515 ( -3.793 0.126 7.179) 8.120 4.620 ( -2.975 -2.144 0.502) 3.701 4.696 ( -8.072 4.535 7.123) 11.682 4.834 ( -0.758 3.186 -2.944) 4.404 4.994 ( 7.391 -7.843 1.274) 10.852 5.186 ( 2.665 7.315 -4.449) 8.967 5.279 ( -1.175 2.213 -2.681) 3.670 5.326 ( 4.496 1.480 -0.854) 4.810 5.341 ( 3.837 -6.096 1.260) 7.312 5.558 ( -0.881 -2.026 -4.974) 5.442 5.630 ( -3.376 0.583 -2.532) 4.260 5.701 ( 0.839 -5.480 0.591) 5.575 5.826 ( -0.292 2.987 -0.638) 3.068 6.064 ( -4.449 3.028 1.620) 5.620 6.138 ( 1.054 3.248 0.096) 3.416 6.220 ( -1.353 1.214 -0.088) 1.820 6.335 ( -2.119 -0.956 -1.902) 3.003 6.507 ( 7.600 0.714 -5.185) 9.228 6.667 ( -4.506 -5.451 -2.971) 7.671 6.771 ( 0.524 2.224 2.705) 3.541 6.842 ( -2.588 0.328 3.385) 4.274 7.072 ( -0.680 4.567 3.024) 5.520 7.115 ( 2.477 -2.882 5.135) 6.388 7.510 ( 10.430 -0.198 -0.445) 10.442 7.685 ( 0.814 -1.016 0.570) 1.421 7.825 ( -5.386 0.812 -1.350) 5.612 8.072 ( -1.016 5.155 2.544) 5.838 8.196 ( 2.764 1.513 -2.436) 3.983 8.292 ( 0.813 -1.555 -2.448) 3.012 8.409 ( -6.786 -0.828 2.696) 7.348 8.421 ( 0.067 -1.966 3.617) 4.117 8.572 ( -0.156 -1.627 4.411) 4.704 8.702 ( 0.432 2.533 -5.635) 6.193 8.895 ( -2.057 -1.614 1.378) 2.955 8.965 ( -0.592 -1.950 0.606) 2.126 9.128 ( -0.442 -4.518 -2.355) 5.114 9.306 ( 1.018 3.644 -0.262) 3.792 9.487 ( -3.251 0.352 -0.663) 3.337 9.628 ( -5.366 -0.214 -1.894) 5.694 9.822 ( 0.341 1.893 3.281) 3.803 9.984 ( 0.388 5.838 0.517) 5.873 10.154 ( 1.779 1.996 0.081) 2.675 10.430 ( 0.038 2.970 -3.543) 4.623 10.593 ( -0.472 2.037 4.154) 4.650 10.826 ( 1.558 -2.242 -2.868) 3.960 11.391 ( 9.265 2.852 -0.570) 9.711 11.561 ( 8.607 -1.258 -1.147) 8.774 11.677 ( -2.866 2.383 1.807) 4.142 11.962 ( -8.638 -0.456 0.332) 8.657 12.047 ( -3.447 -3.706 1.435) 5.261 12.232 ( 1.045 -0.270 -6.596) 6.684 12.478 ( -0.842 7.596 7.179) 10.486 12.757 ( -0.788 7.598 1.228) 7.737 12.927 ( -2.198 4.648 -1.136) 5.265 13.219 ( -0.272 2.129 -2.452) 3.259 13.312 ( -3.227 -3.866 2.778) 5.751 13.354 ( -0.654 -0.878 -1.998) 2.278 13.645 ( -2.654 3.556 3.043) 5.381 13.901 ( -5.483 -1.095 -4.786) 7.360 14.017 ( 7.246 7.533 4.290) 11.298 14.190 ( -5.227 10.163 2.393) 11.677 14.699 ( 3.458 3.478 -8.157) 9.517 14.948 ( 0.682 6.171 2.314) 6.626 15.151 ( 2.858 -6.295 -6.498) 9.488 15.392 ( 0.713 0.094 -1.530) 1.690 15.672 ( -0.898 -5.830 3.730) 6.979 15.767 ( 4.503 -5.073 -2.827) 7.349 15.974 ( -1.871 -4.371 -0.173) 4.758 16.080 ( 2.242 -5.598 -1.142) 6.138 16.110 ( 2.546 2.531 9.442) 10.101 16.334 ( -10.785 0.353 10.100) 14.780 16.404 ( 2.116 3.261 -0.486) 3.918 16.683 ( -4.062 2.930 -0.234) 5.014 16.862 ( -2.923 -3.500 -2.598) 5.248 17.237 ( 4.528 -1.031 -13.343) 14.128 17.572 ( -1.151 3.102 5.084) 6.066 17.735 ( -0.501 -1.676 1.812) 2.519 17.840 ( -0.300 1.821 -0.488) 1.909 18.274 ( -7.897 -6.717 7.692) 12.909 18.418 ( 5.238 -7.359 -3.708) 9.764 18.617 ( 2.966 2.014 -15.256) 15.672 19.288 ( -6.529 4.498 11.977) 14.363 19.690 ( 6.589 6.930 -1.795) 9.729 19.776 ( -1.104 6.378 0.495) 6.492 19.992 ( 0.277 4.126 -4.119) 5.837 20.409 ( -1.401 -1.044 3.580) 3.984 20.443 ( -0.928 0.774 1.260) 1.746 21.355 ( 3.037 -1.405 0.643) 3.407 21.467 ( -3.194 -4.666 2.038) 6.011 21.567 ( 0.173 1.001 -1.638) 1.928 21.664 ( 0.958 -2.379 -4.533) 5.208 21.912 ( 2.684 -1.527 5.784) 6.557 22.281 ( 2.461 -4.417 -3.701) 6.266 ======================= Grid point 88 (46/90) ======================= q-point: (-0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( -10.546 14.656 0.231) 18.057 2.845 ( 2.841 8.152 3.361) 9.264 2.900 ( -15.288 16.655 -2.806) 22.781 3.217 ( 2.740 19.521 -0.247) 19.714 3.341 ( 8.730 -0.183 -8.120) 11.924 3.415 ( 7.050 8.306 6.190) 12.531 3.497 ( -2.705 1.993 1.701) 3.766 3.551 ( -0.523 7.416 0.614) 7.460 3.620 ( 0.639 -3.576 2.032) 4.163 3.928 ( 2.246 -0.835 -1.628) 2.897 4.066 ( -4.963 1.890 -2.121) 5.718 4.218 ( -3.390 -5.940 5.760) 8.941 4.264 ( 4.607 -9.841 -1.814) 11.017 4.328 ( -6.646 7.284 -0.174) 9.862 4.439 ( -7.472 -1.232 -0.008) 7.573 4.481 ( -2.445 4.860 5.211) 7.533 4.535 ( 7.113 4.486 -0.858) 8.453 4.669 ( -3.286 -4.802 3.130) 6.607 4.725 ( -8.022 0.318 0.210) 8.031 4.945 ( -5.533 -4.257 -6.066) 9.248 5.192 ( -0.033 10.361 0.436) 10.370 5.284 ( 0.616 -3.992 -3.537) 5.369 5.405 ( 2.774 -3.872 4.445) 6.515 5.419 ( 4.303 -5.682 -0.381) 7.138 5.557 ( -1.183 -0.825 -5.448) 5.635 5.596 ( 3.316 -7.904 -0.718) 8.601 5.776 ( 2.669 4.442 1.603) 5.424 5.890 ( 9.359 1.955 -3.099) 10.050 5.986 ( -3.712 5.351 3.687) 7.484 6.113 ( -2.339 2.159 -2.811) 4.247 6.174 ( -3.450 -0.367 -2.315) 4.171 6.334 ( 2.795 1.544 -0.921) 3.324 6.588 ( 1.163 1.934 -2.921) 3.691 6.610 ( 1.011 -1.623 -3.967) 4.404 6.781 ( -0.134 3.335 3.134) 4.579 6.834 ( -0.317 -5.299 2.862) 6.030 7.013 ( -4.462 1.514 1.866) 5.067 7.172 ( -1.269 1.668 7.560) 7.845 7.553 ( -8.042 0.313 -0.620) 8.072 7.654 ( -4.672 0.988 -1.063) 4.893 7.792 ( 5.010 -3.471 0.964) 6.171 8.002 ( -2.852 -1.048 -3.634) 4.737 8.224 ( -6.013 0.095 -0.069) 6.014 8.274 ( 3.557 2.180 0.508) 4.203 8.389 ( 3.328 -2.365 0.129) 4.085 8.469 ( 3.196 -0.218 5.874) 6.690 8.577 ( -1.912 0.762 1.988) 2.862 8.703 ( 3.175 3.513 -5.039) 6.915 8.859 ( -2.465 -0.845 -0.501) 2.653 9.028 ( 5.785 -1.469 2.054) 6.312 9.185 ( 3.548 -2.446 2.658) 5.063 9.318 ( 0.911 2.241 -0.034) 2.419 9.447 ( 0.401 0.236 -2.375) 2.421 9.548 ( 1.125 -2.580 -5.595) 6.263 9.848 ( -0.670 2.357 4.514) 5.136 9.985 ( -0.465 5.588 0.330) 5.617 10.173 ( 0.345 1.084 0.647) 1.309 10.440 ( 1.822 3.088 -4.386) 5.666 10.589 ( -1.553 3.479 4.863) 6.178 10.839 ( 0.926 -2.178 -2.408) 3.377 11.450 ( -4.470 2.840 0.823) 5.360 11.563 ( -11.776 -4.068 -1.352) 12.532 11.661 ( 4.920 2.852 1.100) 5.792 11.917 ( 3.072 1.091 1.819) 3.733 12.004 ( 1.495 -0.079 -2.982) 3.337 12.269 ( 4.867 -0.148 -3.729) 6.134 12.530 ( 2.015 5.073 8.540) 10.135 12.755 ( 0.376 8.702 0.004) 8.711 12.907 ( -0.076 4.315 -0.116) 4.317 13.188 ( -0.509 -4.096 -5.673) 7.016 13.246 ( -0.713 1.619 0.862) 1.968 13.434 ( 5.293 -1.625 1.035) 5.632 13.627 ( -0.776 2.732 2.961) 4.103 13.797 ( -3.132 -0.876 -2.061) 3.850 14.129 ( -0.392 12.632 -1.458) 12.722 14.207 ( 8.820 7.742 6.204) 13.275 14.705 ( 1.107 1.767 -5.531) 5.911 14.947 ( -1.088 3.273 -3.777) 5.115 15.125 ( -3.091 -3.768 -2.545) 5.498 15.381 ( -0.896 -1.037 -2.333) 2.706 15.631 ( -3.818 -4.225 1.182) 5.816 15.813 ( -0.472 -5.585 -1.068) 5.706 15.982 ( 2.772 -1.360 0.034) 3.087 16.053 ( -9.718 3.290 5.257) 11.528 16.131 ( 2.038 -7.043 0.320) 7.339 16.280 ( 2.941 -0.067 10.720) 11.117 16.493 ( -0.072 -1.039 5.535) 5.632 16.634 ( 2.329 4.161 -4.534) 6.580 16.851 ( 3.710 -2.302 -3.542) 5.622 17.287 ( 6.745 -0.033 -11.071) 12.964 17.587 ( 0.154 2.205 4.272) 4.810 17.745 ( 1.356 -1.890 1.099) 2.572 17.852 ( 0.629 2.397 1.677) 2.992 18.148 ( -7.351 -6.184 3.730) 10.305 18.446 ( -0.132 -6.214 -3.906) 7.341 18.633 ( 5.023 1.376 -12.877) 13.890 19.260 ( -1.920 4.097 10.768) 11.680 19.722 ( -3.598 3.947 0.785) 5.398 19.781 ( 2.250 9.037 -0.763) 9.344 20.027 ( 5.236 4.486 -3.585) 7.771 20.380 ( -2.451 -0.500 3.320) 4.157 20.454 ( 0.553 -0.618 1.601) 1.803 21.377 ( -2.348 0.288 1.613) 2.863 21.430 ( -0.380 -6.610 0.447) 6.636 21.580 ( 1.454 0.632 -1.452) 2.150 21.641 ( -0.533 -1.523 -3.888) 4.209 21.948 ( -2.054 -1.052 6.209) 6.624 22.271 ( -1.494 -5.267 -4.323) 6.976 ======================= Grid point 89 (47/90) ======================= q-point: (-0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -14.327 19.716 0.150) 24.372 2.570 ( -15.481 24.214 0.386) 28.743 2.872 ( -2.581 10.168 -1.300) 10.570 3.246 ( -5.217 7.924 2.740) 9.875 3.331 ( -2.835 3.806 0.017) 4.746 3.418 ( -0.182 -0.135 -5.414) 5.418 3.578 ( 7.518 2.512 -1.428) 8.054 3.627 ( 7.199 2.117 2.110) 7.795 3.710 ( 4.055 -1.963 1.406) 4.719 3.904 ( -2.451 1.582 -1.311) 3.198 3.955 ( -7.243 5.925 0.486) 9.370 4.086 ( -9.584 3.971 5.225) 11.616 4.218 ( -4.144 3.322 -0.430) 5.328 4.320 ( 1.790 -4.599 -6.181) 7.910 4.350 ( -6.011 0.714 6.193) 8.660 4.431 ( -9.531 -10.262 -3.174) 14.361 4.476 ( -0.783 -3.718 7.175) 8.119 4.603 ( -2.569 8.046 2.895) 8.929 4.700 ( 0.080 -0.551 -3.178) 3.226 4.899 ( 0.405 1.228 1.745) 2.171 5.163 ( -2.654 -1.202 -4.408) 5.284 5.259 ( 1.051 -5.196 -1.968) 5.654 5.430 ( -1.565 -8.414 6.071) 10.493 5.501 ( 2.183 -5.497 -7.969) 9.924 5.547 ( 2.356 -2.271 6.262) 7.066 5.648 ( 2.246 2.089 -6.435) 7.129 5.810 ( 3.524 3.894 -1.695) 5.519 5.944 ( -1.051 4.895 -7.807) 9.275 5.998 ( 0.045 8.082 -0.310) 8.088 6.103 ( 1.789 2.937 3.992) 5.269 6.174 ( 6.555 -2.365 -0.705) 7.004 6.388 ( 2.828 0.470 -2.598) 3.868 6.574 ( -1.524 2.206 2.971) 4.002 6.603 ( -0.768 1.542 -2.626) 3.141 6.777 ( -2.782 4.200 2.352) 5.560 6.830 ( -0.497 -1.793 0.532) 1.935 6.947 ( -2.007 0.327 -2.212) 3.004 7.164 ( -5.492 3.329 12.676) 14.210 7.376 ( -8.373 -0.536 1.408) 8.507 7.477 ( -10.426 0.604 -3.105) 10.895 7.876 ( 1.807 -5.619 -2.019) 6.239 8.029 ( 6.033 -9.998 2.751) 11.997 8.121 ( -5.168 3.285 2.051) 6.458 8.335 ( 1.344 1.694 1.029) 2.395 8.433 ( 0.965 -3.637 -0.550) 3.803 8.521 ( 1.016 2.826 -0.074) 3.004 8.607 ( 4.358 -0.393 2.945) 5.275 8.780 ( 3.706 -0.082 -2.326) 4.376 8.788 ( -1.454 -0.117 -2.265) 2.694 9.128 ( 0.227 -0.139 1.778) 1.798 9.212 ( 4.803 -0.644 -2.919) 5.657 9.411 ( 5.547 -0.906 4.261) 7.053 9.466 ( 2.482 0.274 -4.285) 4.960 9.612 ( 6.061 -2.430 -3.603) 7.458 9.859 ( 0.538 1.795 3.367) 3.854 9.929 ( -5.396 3.783 0.689) 6.626 10.213 ( 3.075 1.195 2.425) 4.094 10.439 ( 1.151 2.739 -4.347) 5.265 10.601 ( 0.137 5.963 3.699) 7.018 10.816 ( -2.693 -2.028 -1.895) 3.867 11.257 ( -14.709 -3.973 -4.282) 15.827 11.339 ( -7.992 3.011 2.637) 8.938 11.786 ( 6.029 1.894 0.230) 6.324 11.958 ( 1.476 2.312 3.394) 4.364 12.082 ( 5.056 1.632 -4.201) 6.773 12.349 ( 4.481 -2.582 -0.709) 5.220 12.625 ( 3.542 4.932 8.066) 10.097 12.772 ( 1.305 11.692 0.149) 11.765 12.890 ( -1.504 5.029 -1.763) 5.537 13.201 ( 4.548 -3.185 -5.371) 7.725 13.280 ( 4.042 4.022 -1.244) 5.836 13.528 ( 4.516 -1.693 -1.090) 4.945 13.647 ( 1.085 -0.198 5.033) 5.152 13.775 ( 0.335 0.455 3.489) 3.534 14.130 ( 1.579 11.638 -2.900) 12.097 14.407 ( 8.018 5.973 4.464) 10.950 14.701 ( 1.301 0.003 -4.407) 4.594 14.878 ( -2.074 2.518 -6.498) 7.271 15.026 ( -6.270 -3.998 -1.067) 7.512 15.341 ( -2.541 -1.748 0.899) 3.213 15.564 ( -3.815 -0.794 1.208) 4.080 15.708 ( -9.440 -0.869 1.464) 9.592 15.923 ( -4.221 -1.836 0.981) 4.707 16.070 ( 5.072 0.322 -3.062) 5.933 16.203 ( 2.653 -5.700 5.926) 8.640 16.394 ( 3.046 0.271 -2.587) 4.006 16.427 ( -3.302 -2.867 6.436) 7.781 16.706 ( 4.714 -4.224 -3.595) 7.279 16.973 ( 9.016 0.084 -0.270) 9.021 17.381 ( 6.877 1.240 -3.853) 7.980 17.608 ( -0.320 2.464 3.992) 4.702 17.808 ( 2.297 -2.291 6.306) 7.092 17.859 ( 0.943 0.072 0.112) 0.952 18.074 ( -0.223 -1.854 -3.425) 3.901 18.397 ( -2.746 -5.442 -3.688) 7.125 18.657 ( 4.149 1.681 -12.773) 13.535 19.308 ( 1.189 4.957 8.829) 10.195 19.643 ( -5.753 3.032 4.174) 7.727 19.778 ( -1.892 8.514 -0.560) 8.740 20.131 ( 7.143 1.678 -6.071) 9.523 20.375 ( 0.780 0.334 3.075) 3.190 20.465 ( -0.515 -1.217 2.467) 2.799 21.312 ( -4.088 -1.980 0.803) 4.612 21.433 ( -0.188 -3.373 0.536) 3.420 21.561 ( -1.925 -1.181 -3.090) 3.827 21.659 ( 3.141 0.387 -0.170) 3.169 21.899 ( -5.978 0.089 5.962) 8.443 22.192 ( -4.101 -6.059 -5.527) 9.169 ======================= Grid point 90 (48/90) ======================= q-point: (-0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -12.518 22.948 3.355) 26.354 2.374 ( -6.339 30.673 1.911) 31.379 2.776 ( -5.355 9.714 -4.721) 12.055 3.048 ( -9.374 7.769 -2.930) 12.523 3.282 ( -6.525 2.168 -3.040) 7.518 3.454 ( 5.775 4.257 2.753) 7.684 3.674 ( 2.866 -0.554 -1.543) 3.302 3.698 ( -6.175 2.523 -3.155) 7.378 3.724 ( 0.029 -3.517 2.488) 4.308 3.854 ( 0.436 2.682 -1.300) 3.013 3.923 ( 5.269 0.340 1.722) 5.554 4.018 ( -0.636 3.913 6.072) 7.252 4.164 ( -0.770 -1.918 -0.611) 2.155 4.216 ( -7.146 4.402 2.088) 8.649 4.261 ( -5.729 -5.333 -0.914) 7.881 4.370 ( 1.545 -12.548 -0.614) 12.657 4.507 ( -3.177 1.921 6.831) 7.774 4.576 ( -1.237 5.889 6.126) 8.587 4.662 ( 0.128 0.512 -4.956) 4.984 4.882 ( -5.040 -5.427 5.120) 9.004 5.100 ( 1.056 0.222 -10.957) 11.010 5.314 ( 4.004 0.429 -2.321) 4.648 5.411 ( -2.417 -5.272 -2.846) 6.460 5.453 ( -1.276 0.893 -2.537) 2.977 5.604 ( -0.053 -1.059 -1.941) 2.212 5.679 ( 3.353 -5.426 3.370) 7.214 5.844 ( -0.041 7.578 -4.382) 8.754 5.921 ( 3.888 -0.368 -4.310) 5.816 6.035 ( 4.970 7.702 -2.298) 9.451 6.165 ( 1.691 3.650 6.291) 7.467 6.293 ( 4.952 -2.871 -2.905) 6.420 6.372 ( -3.611 0.299 -2.221) 4.250 6.553 ( -3.278 5.097 4.822) 7.744 6.578 ( 0.030 -0.819 -2.542) 2.670 6.725 ( -1.756 3.823 2.823) 5.066 6.842 ( 1.108 6.498 1.061) 6.677 6.940 ( 1.868 -0.467 -0.349) 1.957 7.041 ( -10.827 3.220 7.673) 13.655 7.278 ( -6.663 2.972 -1.689) 7.489 7.308 ( -4.327 -4.945 5.199) 8.378 7.898 ( 1.917 -8.223 -2.942) 8.941 8.055 ( -3.178 4.762 3.705) 6.819 8.144 ( 2.938 -14.773 3.018) 15.362 8.308 ( -1.725 1.461 -1.539) 2.735 8.472 ( 1.419 -2.343 4.687) 5.429 8.561 ( 2.134 4.692 -1.138) 5.279 8.674 ( 0.148 -1.326 0.703) 1.508 8.704 ( 0.859 -1.888 -3.909) 4.425 8.920 ( 6.529 -0.902 1.957) 6.876 9.105 ( -0.726 -1.711 -1.232) 2.230 9.302 ( 3.896 -0.896 -3.911) 5.593 9.476 ( 1.040 0.384 -5.910) 6.013 9.514 ( 2.637 -2.026 5.190) 6.164 9.663 ( 0.208 -2.743 -1.811) 3.293 9.840 ( -4.542 0.036 3.240) 5.579 9.917 ( 4.941 3.242 -0.927) 5.982 10.281 ( 2.274 2.599 3.634) 5.013 10.473 ( 3.670 2.935 -1.568) 4.954 10.600 ( -1.504 4.908 -0.047) 5.134 10.734 ( -3.849 -2.000 -0.666) 4.389 11.004 ( -9.691 2.241 -1.934) 10.133 11.233 ( -4.067 1.230 0.007) 4.249 11.862 ( 1.974 2.022 -0.566) 2.882 12.018 ( 2.262 2.826 5.531) 6.610 12.114 ( 1.480 0.534 -5.863) 6.070 12.419 ( 2.662 -5.685 -0.405) 6.291 12.716 ( 2.108 6.116 4.337) 7.789 12.783 ( -1.899 10.998 1.552) 11.268 12.871 ( 2.022 10.491 -0.358) 10.690 13.257 ( 3.265 -2.012 -4.856) 6.187 13.372 ( 5.578 6.604 -1.808) 8.832 13.587 ( 2.837 0.146 -4.205) 5.075 13.729 ( 5.074 -3.043 6.679) 8.922 13.828 ( 1.762 1.307 7.135) 7.465 14.135 ( -1.439 6.777 -0.523) 6.948 14.460 ( -1.533 2.670 -4.371) 5.346 14.735 ( 3.833 -0.907 -3.917) 5.555 14.825 ( -7.293 -1.886 3.909) 8.487 14.971 ( 8.074 -0.931 -5.235) 9.667 15.307 ( -2.384 0.597 3.268) 4.089 15.479 ( -6.824 3.725 -0.065) 7.775 15.560 ( -4.645 -0.917 1.793) 5.063 15.866 ( -2.292 -3.842 -0.610) 4.515 16.075 ( -3.295 2.374 -2.713) 4.884 16.268 ( -0.162 -4.012 3.441) 5.288 16.335 ( 1.345 -2.700 -2.157) 3.708 16.546 ( 6.609 -4.100 1.543) 7.929 16.758 ( 2.653 -6.560 -3.766) 8.016 17.119 ( 5.106 -2.185 2.525) 6.101 17.495 ( 4.466 -0.185 3.333) 5.575 17.596 ( -3.656 3.093 5.276) 7.125 17.814 ( -1.405 -1.975 5.126) 5.670 17.986 ( 9.028 -1.341 0.683) 9.152 18.081 ( 2.597 1.709 -6.356) 7.076 18.319 ( -3.412 -5.081 -3.552) 7.076 18.682 ( 6.054 2.135 -15.735) 16.995 19.351 ( -0.994 7.438 6.371) 9.844 19.569 ( -3.590 3.183 4.526) 6.596 19.720 ( -4.976 6.151 4.088) 8.906 20.207 ( 4.399 -1.866 -7.887) 9.222 20.432 ( 2.177 -1.904 3.146) 4.273 20.460 ( -0.104 0.590 0.987) 1.155 21.264 ( -0.545 -2.056 0.491) 2.183 21.419 ( -2.063 -2.195 0.450) 3.045 21.515 ( -1.054 -0.840 -0.829) 1.582 21.715 ( 1.939 0.846 0.316) 2.139 21.798 ( -6.835 1.183 4.956) 8.525 22.090 ( -2.651 -5.866 -6.878) 9.420 ======================= Grid point 91 (49/90) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 2.989 11.916 6.536) 13.916 2.758 ( -3.621 8.593 1.786) 9.494 3.000 ( -2.145 16.035 -5.677) 17.145 3.088 ( 3.982 10.254 -4.474) 11.875 3.304 ( 4.829 2.630 2.929) 6.231 3.444 ( -2.849 -4.766 -1.703) 5.807 3.538 ( -0.123 -5.822 -0.263) 5.829 3.628 ( -5.979 -4.094 -6.673) 9.851 3.679 ( -2.872 -11.655 -5.071) 13.031 3.750 ( 6.066 1.466 -12.355) 13.842 3.912 ( 0.216 -2.017 1.648) 2.613 4.007 ( 7.762 -3.445 8.358) 11.915 4.148 ( -2.549 0.309 -2.141) 3.343 4.188 ( 0.131 -2.465 2.474) 3.495 4.206 ( 2.284 -0.432 -1.901) 3.003 4.301 ( -0.481 5.712 5.032) 7.628 4.394 ( -5.572 0.584 11.176) 12.501 4.626 ( -3.521 -2.435 7.265) 8.432 4.641 ( 0.800 -7.171 2.116) 7.519 4.899 ( -4.291 -10.195 -0.558) 11.075 5.100 ( 2.356 19.265 2.817) 19.612 5.318 ( -0.180 1.297 -5.520) 5.673 5.358 ( 3.348 -3.892 -3.222) 6.061 5.457 ( -3.831 -8.994 -2.206) 10.022 5.587 ( 2.280 12.318 -4.002) 13.151 5.815 ( -0.613 9.930 2.929) 10.371 5.863 ( 1.951 -10.300 -2.672) 10.819 5.965 ( 1.028 2.917 0.350) 3.113 6.192 ( -2.272 -2.292 -3.047) 4.438 6.297 ( 4.856 7.264 -6.157) 10.689 6.346 ( -0.604 5.470 -0.357) 5.515 6.388 ( 3.943 2.637 2.141) 5.205 6.524 ( -1.276 -2.567 0.557) 2.920 6.554 ( -2.159 -0.479 -3.406) 4.061 6.804 ( 3.800 2.323 -0.418) 4.474 6.907 ( -9.278 2.412 2.037) 9.800 6.985 ( -5.932 -2.508 -0.217) 6.445 7.040 ( 5.470 -2.058 0.614) 5.876 7.179 ( 0.815 9.672 8.216) 12.717 7.359 ( 0.687 2.367 3.406) 4.204 7.756 ( 2.550 -7.623 2.225) 8.341 7.809 ( -0.527 -13.860 9.178) 16.632 8.119 ( 0.038 1.789 5.460) 5.745 8.310 ( 0.202 0.911 -3.828) 3.940 8.409 ( -3.126 -3.114 2.761) 5.205 8.595 ( -1.084 0.779 -6.126) 6.269 8.694 ( 2.239 0.409 -0.370) 2.306 8.755 ( 3.437 1.069 -2.444) 4.351 8.955 ( -3.285 -0.607 1.721) 3.758 9.098 ( 4.183 -0.624 2.692) 5.014 9.234 ( -4.528 -1.890 -6.772) 8.362 9.443 ( -2.570 -0.049 -7.706) 8.123 9.538 ( 2.897 -0.636 3.309) 4.443 9.611 ( 0.807 -1.445 -0.779) 1.830 9.762 ( -3.723 0.398 6.015) 7.085 10.114 ( 6.597 3.615 -5.471) 9.301 10.326 ( -1.424 -0.861 3.250) 3.652 10.556 ( 3.892 -2.072 -2.973) 5.318 10.590 ( -3.703 1.445 2.308) 4.596 10.672 ( -0.530 0.674 1.720) 1.922 11.038 ( 0.138 5.888 0.051) 5.890 11.154 ( -2.200 -3.001 -1.403) 3.977 11.878 ( -1.868 0.369 -0.550) 1.982 12.093 ( 1.702 -0.182 -6.147) 6.381 12.151 ( 0.660 3.671 1.554) 4.040 12.285 ( -0.687 -6.020 -1.580) 6.262 12.828 ( -1.943 3.376 6.237) 7.353 12.971 ( -0.736 5.983 1.232) 6.153 13.045 ( -0.245 1.396 0.796) 1.626 13.319 ( 4.134 2.398 -5.939) 7.623 13.544 ( 1.415 2.786 -2.270) 3.862 13.566 ( 0.357 -2.420 -3.563) 4.322 13.821 ( 0.752 1.355 9.274) 9.403 13.867 ( 0.746 -2.217 8.222) 8.549 14.227 ( -8.698 9.219 3.341) 13.107 14.506 ( -0.629 0.950 -8.779) 8.853 14.518 ( -0.310 -6.017 -1.748) 6.274 14.713 ( 4.401 -2.748 -3.826) 6.446 15.159 ( 8.096 -2.208 3.931) 9.267 15.386 ( -4.997 5.291 -3.942) 8.277 15.451 ( -1.816 3.942 -0.018) 4.340 15.528 ( 3.603 -1.454 0.436) 3.909 15.798 ( 0.333 -0.649 2.333) 2.444 15.978 ( -5.069 -1.018 -1.092) 5.285 16.203 ( -4.227 -0.216 4.448) 6.140 16.307 ( 0.703 -3.611 2.980) 4.734 16.517 ( 0.819 -2.769 -0.675) 2.965 16.761 ( 8.079 -0.309 -11.283) 13.881 17.133 ( -0.256 -1.461 6.547) 6.713 17.446 ( -7.688 -1.045 4.653) 9.047 17.631 ( -0.891 1.117 6.699) 6.850 17.809 ( -1.142 -0.176 3.472) 3.659 18.045 ( -0.935 -0.411 -1.007) 1.434 18.177 ( 1.851 -0.105 -4.256) 4.642 18.190 ( 3.762 -1.183 -3.409) 5.213 18.746 ( 5.322 0.636 -17.733) 18.526 19.485 ( -1.207 3.980 4.431) 6.078 19.601 ( -0.983 -0.053 10.594) 10.640 19.751 ( -2.768 4.194 -0.610) 5.062 20.143 ( 0.673 -3.141 -7.474) 8.136 20.407 ( -0.204 -0.683 3.888) 3.952 20.499 ( 0.506 0.281 -0.914) 1.082 21.203 ( -1.453 -2.094 1.770) 3.103 21.392 ( 2.709 0.017 -3.183) 4.180 21.539 ( 2.239 0.276 3.210) 3.923 21.717 ( -2.569 0.320 -0.985) 2.770 21.731 ( -4.535 0.256 2.776) 5.323 21.995 ( 3.592 -1.644 -3.846) 5.513 ======================= Grid point 92 (50/90) ======================= q-point: ( 0.14 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 10.042 9.653 8.999) 16.584 2.797 ( 7.783 9.142 -1.198) 12.066 2.993 ( 3.543 14.086 -4.242) 15.131 3.204 ( 10.372 14.238 -3.856) 18.033 3.329 ( -5.027 -3.859 -2.746) 6.907 3.432 ( -1.837 -1.751 -2.160) 3.333 3.525 ( 6.408 -1.277 -0.309) 6.541 3.546 ( 0.985 -4.127 -2.533) 4.942 3.654 ( 1.421 -2.411 -6.570) 7.141 3.837 ( 5.634 -11.565 -3.401) 13.307 3.935 ( 3.208 4.897 -0.481) 5.874 4.046 ( -4.490 -2.780 -7.101) 8.850 4.146 ( -0.885 -3.956 1.014) 4.179 4.232 ( 5.640 0.587 5.494) 7.895 4.311 ( 2.584 -0.614 9.824) 10.177 4.328 ( 2.591 8.253 1.476) 8.775 4.402 ( 3.830 -6.599 8.536) 11.449 4.599 ( -2.993 -0.277 6.385) 7.057 4.643 ( 0.121 -6.110 -0.223) 6.116 4.844 ( -0.789 -9.107 -0.718) 9.169 5.125 ( -1.947 10.942 2.871) 11.479 5.272 ( -3.349 -4.818 -0.389) 5.881 5.344 ( 0.859 5.868 -2.508) 6.439 5.460 ( 1.964 -1.734 -0.403) 2.651 5.591 ( 0.853 5.410 -7.839) 9.563 5.752 ( -2.689 5.033 -1.467) 5.891 5.912 ( 0.424 -4.350 0.767) 4.438 5.992 ( 0.966 4.228 1.259) 4.516 6.144 ( 0.594 -5.704 -4.706) 7.419 6.281 ( -4.732 11.413 -6.776) 14.091 6.347 ( 0.455 5.715 -1.399) 5.902 6.406 ( -4.317 0.014 2.076) 4.790 6.475 ( -2.937 -1.475 -1.197) 3.498 6.549 ( 3.850 -3.015 1.357) 5.075 6.786 ( -5.247 0.428 2.928) 6.024 6.870 ( -2.125 -4.826 -1.581) 5.505 6.958 ( 10.045 4.844 -1.482) 11.250 7.137 ( 3.315 -1.585 0.942) 3.793 7.223 ( -0.978 9.177 8.893) 12.816 7.451 ( 6.995 -0.304 1.986) 7.277 7.827 ( 2.841 -6.614 5.346) 8.966 7.857 ( 2.582 -6.230 6.582) 9.423 8.181 ( 3.474 0.936 6.093) 7.075 8.292 ( -1.041 1.091 -2.111) 2.594 8.356 ( -2.940 -4.351 1.609) 5.492 8.545 ( -2.225 0.117 -6.244) 6.629 8.679 ( -3.462 2.156 0.493) 4.108 8.750 ( -0.921 -0.980 -6.604) 6.739 8.934 ( -0.932 -0.607 7.258) 7.343 9.098 ( -5.415 -2.354 -7.018) 9.172 9.200 ( 4.273 -0.079 2.131) 4.775 9.325 ( -5.843 -1.555 -6.987) 9.240 9.607 ( 1.685 0.324 -1.117) 2.047 9.630 ( 1.253 -0.735 -0.109) 1.457 9.775 ( 4.526 1.434 4.522) 6.556 10.122 ( -5.179 2.912 -0.194) 5.945 10.276 ( -3.735 0.090 0.512) 3.771 10.562 ( -1.430 -1.465 -0.972) 2.266 10.604 ( 2.043 1.703 0.349) 2.683 10.699 ( 2.919 0.220 -0.218) 2.935 11.074 ( 4.624 3.125 -1.584) 5.801 11.167 ( 4.602 -2.386 0.429) 5.201 11.826 ( -2.959 0.565 -0.574) 3.066 12.087 ( -0.360 -0.301 -3.815) 3.843 12.155 ( -0.973 1.753 1.388) 2.438 12.253 ( -1.436 -4.072 -2.542) 5.010 12.785 ( -5.056 5.662 5.246) 9.227 12.959 ( -1.438 4.935 1.005) 5.238 13.022 ( -2.224 -0.408 0.619) 2.344 13.334 ( -0.199 1.535 -3.005) 3.381 13.471 ( -6.117 1.459 -2.535) 6.781 13.542 ( -3.838 -1.449 -2.454) 4.780 13.801 ( -4.028 1.866 6.526) 7.892 13.906 ( -1.391 0.430 11.695) 11.785 14.116 ( -4.449 1.481 -2.722) 5.422 14.460 ( -0.159 1.840 -3.783) 4.210 14.599 ( 8.936 0.260 -7.932) 11.951 14.817 ( 7.420 -1.323 -0.696) 7.569 15.229 ( -6.222 4.138 -3.036) 8.065 15.278 ( 0.234 -3.431 6.962) 7.765 15.474 ( 4.726 1.755 -1.756) 5.338 15.618 ( 3.518 0.442 -0.156) 3.549 15.854 ( 3.728 -0.151 4.863) 6.129 15.939 ( 1.937 -1.726 -3.577) 4.419 16.094 ( -7.824 -2.984 0.932) 8.425 16.328 ( 0.885 -1.071 2.272) 2.663 16.518 ( -0.747 -2.058 0.609) 2.273 16.827 ( 2.648 0.767 -6.501) 7.062 17.113 ( -6.191 -1.122 6.782) 9.251 17.311 ( -6.303 -1.239 -1.129) 6.522 17.653 ( -0.998 1.404 7.838) 8.025 17.763 ( -4.466 -0.497 3.035) 5.423 17.968 ( -4.929 -0.247 -2.348) 5.465 18.167 ( 2.753 -1.504 -6.686) 7.385 18.278 ( 2.247 -0.764 2.119) 3.182 18.731 ( 1.935 0.508 -16.508) 16.629 19.519 ( 0.868 3.974 4.654) 6.181 19.568 ( -5.169 -0.157 10.342) 11.563 19.795 ( 6.562 4.927 -1.918) 8.428 20.095 ( -2.031 -3.282 -7.145) 8.121 20.416 ( -0.668 0.184 3.561) 3.628 20.495 ( -0.563 -0.066 -0.371) 0.678 21.200 ( 0.730 -1.527 0.870) 1.903 21.444 ( 3.124 -0.782 -1.550) 3.574 21.588 ( -0.391 -0.104 5.375) 5.390 21.658 ( -2.448 -0.075 -2.856) 3.763 21.707 ( 2.809 0.494 -0.095) 2.854 22.073 ( 5.514 -1.350 -2.077) 6.045 ======================= Grid point 93 (51/90) ======================= q-point: ( 0.29 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 5.037 7.412 6.065) 10.821 2.941 ( 0.743 11.217 0.321) 11.246 3.079 ( 11.522 1.881 -5.169) 12.767 3.296 ( 3.030 10.811 -2.586) 11.522 3.372 ( 0.841 0.007 -0.022) 0.841 3.455 ( 9.506 3.633 -0.645) 10.197 3.519 ( 6.602 -8.308 -9.429) 14.196 3.603 ( 0.417 7.822 -6.341) 10.078 3.738 ( 6.516 4.431 1.101) 7.956 3.880 ( -1.651 -6.535 -6.678) 9.488 3.904 ( -2.119 6.252 3.184) 7.329 4.091 ( 7.387 -1.479 2.162) 7.838 4.117 ( -0.754 -8.265 -1.086) 8.370 4.271 ( -3.749 -0.349 11.873) 12.455 4.377 ( -0.079 -6.180 7.369) 9.618 4.401 ( 3.906 3.529 -0.964) 5.352 4.486 ( -2.010 -6.073 -0.222) 6.400 4.655 ( 7.143 2.481 3.688) 8.413 4.724 ( 8.881 -2.843 2.170) 9.575 4.891 ( 7.030 -9.512 -0.717) 11.850 5.063 ( -4.708 3.140 1.025) 5.751 5.187 ( -6.055 -7.788 3.186) 10.366 5.387 ( 0.317 10.821 2.246) 11.056 5.464 ( 0.603 4.230 -2.632) 5.018 5.577 ( 2.548 -4.244 -6.005) 7.782 5.726 ( -0.060 8.020 -4.935) 9.417 5.859 ( -4.909 4.938 -1.145) 7.056 5.995 ( -2.946 1.222 1.037) 3.354 6.113 ( -5.281 0.863 -1.606) 5.587 6.202 ( 4.863 0.311 -4.436) 6.589 6.309 ( -5.467 1.289 3.663) 6.706 6.314 ( -3.253 -1.042 -3.066) 4.590 6.437 ( -0.320 3.045 -2.492) 3.948 6.606 ( -0.199 -8.877 -1.418) 8.992 6.700 ( -3.333 -0.633 2.502) 4.215 6.916 ( 6.026 -2.527 1.770) 6.770 7.064 ( 0.033 8.180 -1.174) 8.264 7.207 ( -4.400 5.490 8.906) 11.349 7.278 ( 12.191 -1.958 -0.846) 12.376 7.583 ( 4.819 -3.343 0.507) 5.887 7.903 ( 2.437 1.396 3.381) 4.395 7.977 ( 6.449 -2.749 5.854) 9.133 8.244 ( -2.245 0.094 -0.759) 2.372 8.301 ( 4.056 0.708 3.432) 5.360 8.342 ( 1.439 -4.002 5.224) 6.736 8.422 ( -6.765 -0.710 -6.180) 9.190 8.603 ( -4.612 1.847 0.864) 5.043 8.719 ( 1.234 -1.335 -6.363) 6.617 8.932 ( -2.915 0.737 3.660) 4.737 8.977 ( -4.111 -2.122 -2.753) 5.384 9.159 ( -6.164 -1.331 -6.857) 9.316 9.299 ( 3.488 -0.043 2.349) 4.205 9.569 ( -3.404 0.490 -1.355) 3.696 9.667 ( 1.965 0.047 0.969) 2.192 9.940 ( -0.412 3.572 1.961) 4.096 9.980 ( 1.009 0.332 -0.144) 1.072 10.194 ( -4.997 0.300 0.756) 5.062 10.500 ( -2.989 -0.884 -3.665) 4.811 10.643 ( 1.260 4.159 1.441) 4.578 10.745 ( 1.732 -2.681 -1.390) 3.481 11.221 ( 12.015 0.810 -3.484) 12.536 11.324 ( 10.258 -1.115 3.676) 10.953 11.772 ( -2.819 1.188 0.872) 3.181 12.035 ( -3.430 -1.626 -1.600) 4.119 12.110 ( -5.293 0.617 1.399) 5.510 12.217 ( -0.560 -2.122 -3.928) 4.500 12.708 ( -5.206 6.983 4.630) 9.865 12.917 ( -3.332 4.411 0.805) 5.586 12.984 ( -1.885 -2.184 0.612) 2.949 13.292 ( -2.683 0.828 -3.071) 4.162 13.351 ( -4.718 1.480 -0.200) 4.948 13.400 ( -8.838 -3.460 0.599) 9.510 13.761 ( -2.773 2.709 3.168) 5.006 13.961 ( -0.173 -0.723 -0.846) 1.126 14.020 ( -1.803 1.820 5.391) 5.969 14.421 ( -2.941 3.783 -0.837) 4.864 14.737 ( 9.201 4.190 -10.852) 14.832 14.957 ( 6.808 -2.769 -1.072) 7.427 15.125 ( -2.019 6.292 -3.528) 7.490 15.316 ( 0.371 -4.754 6.903) 8.390 15.562 ( 4.066 -0.429 -0.115) 4.090 15.651 ( 1.110 -0.668 -0.902) 1.578 15.914 ( -3.681 -4.274 0.252) 5.646 15.977 ( 2.851 -1.466 -0.917) 3.334 16.014 ( 2.285 -0.826 5.868) 6.351 16.378 ( 3.828 2.421 -0.117) 4.531 16.487 ( -4.294 -1.848 4.510) 6.496 16.792 ( -3.653 0.775 -0.951) 3.853 16.963 ( -11.017 -0.655 3.066) 11.454 17.228 ( 0.388 -0.719 -9.825) 9.859 17.655 ( -2.583 2.935 6.197) 7.327 17.708 ( -2.435 -1.999 3.723) 4.878 17.879 ( -2.749 -0.225 -1.375) 3.082 18.220 ( 5.857 -2.304 -6.112) 8.773 18.277 ( -4.272 -1.603 5.397) 7.067 18.681 ( 1.407 0.615 -15.522) 15.598 19.447 ( -8.448 1.924 11.273) 14.218 19.649 ( 6.852 1.996 1.423) 7.277 19.903 ( 3.826 6.650 -2.188) 7.978 20.020 ( -1.238 -3.799 -5.129) 6.502 20.413 ( -1.431 0.434 3.387) 3.702 20.478 ( -1.016 0.099 0.054) 1.022 21.237 ( 2.533 -1.859 0.560) 3.192 21.458 ( -1.831 -1.179 1.632) 2.722 21.602 ( 0.434 0.528 -1.455) 1.608 21.616 ( 0.343 -0.736 -1.723) 1.904 21.802 ( 5.295 0.161 2.474) 5.847 22.163 ( 4.687 -1.506 -1.892) 5.274 ======================= Grid point 94 (52/90) ======================= q-point: ( 0.43 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -0.624 0.922 3.082) 3.277 2.890 ( -0.132 8.146 2.253) 8.453 3.254 ( 4.642 4.148 -5.663) 8.415 3.316 ( 1.039 0.535 -3.417) 3.612 3.415 ( 1.314 1.925 1.261) 2.650 3.490 ( 4.960 2.704 -11.676) 12.971 3.573 ( 1.189 12.648 -4.033) 13.328 3.736 ( 2.343 -2.984 -3.467) 5.139 3.792 ( -0.349 10.404 -0.763) 10.437 3.834 ( 8.606 11.272 2.449) 14.392 3.979 ( 3.864 -4.883 3.642) 7.214 4.096 ( -1.095 -3.502 -0.805) 3.757 4.175 ( -0.778 -1.394 2.758) 3.186 4.240 ( -4.550 -2.188 7.524) 9.061 4.381 ( -2.781 -12.953 9.747) 16.448 4.397 ( -0.888 -12.713 5.557) 13.903 4.553 ( 8.432 9.045 -4.453) 13.143 4.790 ( 4.086 1.933 0.758) 4.583 4.854 ( -7.672 -1.695 5.999) 9.885 4.909 ( 3.289 1.603 -1.247) 3.865 5.071 ( -1.418 -10.625 3.175) 11.180 5.194 ( 12.695 -4.209 -4.480) 14.105 5.302 ( -5.669 3.133 -2.498) 6.943 5.514 ( 2.293 3.437 -1.477) 4.388 5.590 ( -9.454 1.167 -9.394) 13.379 5.621 ( 0.589 0.355 -1.431) 1.587 5.782 ( -0.352 9.416 0.709) 9.449 5.949 ( 1.368 8.358 1.615) 8.622 6.090 ( -0.478 -3.028 0.640) 3.131 6.181 ( -5.114 -0.981 -1.928) 5.553 6.234 ( -3.473 1.709 2.747) 4.747 6.323 ( 4.147 0.604 -0.991) 4.307 6.445 ( 3.061 -3.327 -2.727) 5.279 6.541 ( -2.423 -6.534 -2.678) 7.466 6.723 ( 2.938 -0.761 0.876) 3.159 6.972 ( -2.977 2.318 0.627) 3.825 7.090 ( 2.049 3.217 4.386) 5.812 7.143 ( -3.745 1.194 6.237) 7.373 7.506 ( 10.534 0.116 -1.058) 10.587 7.617 ( -0.884 -3.741 1.322) 4.065 7.895 ( -4.074 3.956 -3.521) 6.682 8.138 ( 7.944 -1.451 3.707) 8.886 8.166 ( -8.168 0.429 -5.960) 10.121 8.251 ( -2.640 -2.547 0.935) 3.785 8.372 ( 1.984 -0.842 1.832) 2.829 8.443 ( -0.994 1.986 4.954) 5.429 8.563 ( 1.771 0.028 4.259) 4.613 8.724 ( 2.321 -0.046 -6.177) 6.599 8.893 ( -1.038 1.052 1.896) 2.404 8.924 ( -1.575 -1.773 2.077) 3.152 9.057 ( -0.184 -1.975 -3.584) 4.096 9.363 ( 2.807 1.536 -1.118) 3.389 9.500 ( -2.512 0.538 -2.562) 3.628 9.622 ( -8.545 -0.251 -2.056) 8.793 9.851 ( 0.351 0.777 3.777) 3.873 10.088 ( -0.725 3.967 1.284) 4.232 10.157 ( 2.628 -1.391 -0.654) 3.045 10.453 ( 0.816 -0.245 -5.050) 5.121 10.663 ( -0.028 4.512 2.655) 5.235 10.758 ( 0.695 -4.032 -0.572) 4.131 11.438 ( 10.500 1.329 -1.412) 10.678 11.533 ( 7.725 -0.952 1.952) 8.024 11.729 ( -2.574 1.984 2.412) 4.047 11.942 ( -6.057 -1.482 -2.766) 6.822 11.996 ( -4.776 -0.791 3.104) 5.751 12.204 ( 1.947 -1.285 -5.454) 5.931 12.649 ( -3.114 6.763 4.878) 8.901 12.865 ( -2.117 2.476 1.338) 3.522 12.957 ( -1.114 -1.282 -0.144) 1.704 13.185 ( -6.722 -2.526 -0.893) 7.236 13.280 ( -2.196 0.265 0.810) 2.355 13.340 ( 1.800 -0.503 -0.736) 2.009 13.728 ( -1.780 3.349 1.270) 4.000 13.851 ( -4.642 -2.370 -7.257) 8.935 14.141 ( 5.453 3.300 12.531) 14.059 14.361 ( -2.629 4.895 0.268) 5.563 14.812 ( 4.335 6.577 -11.632) 14.049 15.001 ( 0.769 -5.567 -9.675) 11.189 15.143 ( 2.199 8.596 4.078) 9.765 15.336 ( -1.143 -5.955 2.060) 6.404 15.609 ( 0.910 0.196 0.241) 0.962 15.674 ( 2.099 -3.601 -1.866) 4.567 15.875 ( 1.186 -3.595 0.904) 3.892 15.976 ( -0.584 -2.894 -0.736) 3.043 16.150 ( 4.987 0.722 10.440) 11.592 16.355 ( -12.066 0.986 8.880) 15.013 16.457 ( 1.531 1.461 2.020) 2.926 16.726 ( -1.976 1.222 -1.385) 2.704 16.811 ( -3.454 -1.357 -1.732) 4.096 17.226 ( 5.441 -0.205 -14.777) 15.748 17.631 ( -1.756 2.425 3.210) 4.390 17.696 ( -1.220 -1.877 4.258) 4.811 17.863 ( 1.011 0.474 0.314) 1.160 18.177 ( -8.805 -2.451 6.703) 11.334 18.306 ( 4.988 -3.001 -4.151) 7.150 18.650 ( 3.433 0.920 -15.517) 15.919 19.353 ( -6.799 1.659 11.474) 13.440 19.792 ( 7.811 2.698 -2.890) 8.755 19.873 ( -3.340 2.583 -0.320) 4.234 20.043 ( 2.874 1.057 -1.918) 3.614 20.393 ( -2.511 -0.428 3.503) 4.332 20.463 ( -0.329 0.804 -0.251) 0.904 21.287 ( 1.980 -3.187 0.998) 3.882 21.417 ( -2.685 -0.500 1.444) 3.089 21.591 ( 0.288 0.771 -1.335) 1.568 21.633 ( 1.062 -0.727 -3.672) 3.891 21.899 ( 2.770 -0.144 4.651) 5.416 22.215 ( 1.634 -1.757 -2.533) 3.489 ======================= Grid point 95 (53/90) ======================= q-point: (-0.43 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -5.456 4.762 1.643) 7.426 2.986 ( 5.013 4.868 4.361) 8.237 3.192 ( -6.286 10.289 -5.825) 13.391 3.308 ( 0.775 -2.274 -4.358) 4.976 3.389 ( -3.478 -3.172 -0.348) 4.720 3.540 ( 5.624 4.691 -12.876) 14.813 3.595 ( -0.439 6.925 0.158) 6.940 3.666 ( -4.532 10.251 -3.061) 11.619 3.809 ( 1.312 7.256 1.579) 7.541 3.950 ( -7.350 -2.800 -0.891) 7.916 4.021 ( 6.711 1.348 0.281) 6.850 4.053 ( -1.230 -3.056 0.877) 3.409 4.139 ( -4.422 -2.751 6.671) 8.463 4.263 ( 3.499 -3.692 2.679) 5.749 4.381 ( -3.137 -12.558 7.566) 14.993 4.429 ( -3.183 -8.998 12.708) 15.893 4.602 ( -12.483 3.737 2.026) 13.187 4.689 ( 5.974 5.627 -5.776) 10.035 4.832 ( -0.338 9.736 2.831) 10.145 4.942 ( -2.094 1.746 -0.491) 2.770 5.063 ( -2.739 -9.454 1.309) 9.929 5.237 ( -7.305 -10.096 0.547) 12.473 5.258 ( 0.297 -3.436 -4.609) 5.756 5.472 ( 4.172 4.202 -3.832) 7.053 5.546 ( 5.041 0.409 -7.349) 8.921 5.581 ( -0.828 4.339 -3.198) 5.453 5.884 ( 5.184 4.799 4.809) 8.546 6.013 ( 3.504 6.612 -0.536) 7.502 6.049 ( -2.442 -2.598 -0.301) 3.578 6.111 ( 0.403 0.064 -1.391) 1.450 6.214 ( -0.293 4.261 0.706) 4.329 6.385 ( 3.098 2.105 0.289) 3.756 6.483 ( 0.539 -4.317 -1.530) 4.612 6.552 ( 4.681 -6.408 -3.339) 8.609 6.793 ( 3.975 0.892 0.059) 4.075 6.900 ( -3.723 4.431 -0.519) 5.811 7.043 ( -5.713 1.112 9.212) 10.896 7.179 ( 0.286 -0.609 4.183) 4.236 7.563 ( -5.795 1.639 1.635) 6.240 7.636 ( 1.259 -3.486 2.480) 4.460 7.759 ( -5.773 0.739 -5.300) 7.872 7.944 ( -9.865 -3.036 -7.810) 12.943 8.232 ( -0.509 0.849 -0.520) 1.118 8.284 ( 5.734 -0.650 0.255) 5.776 8.382 ( -3.862 0.467 3.560) 5.273 8.464 ( 5.042 -0.108 6.832) 8.492 8.596 ( -1.581 0.737 0.994) 2.008 8.746 ( 2.874 0.871 -4.662) 5.546 8.858 ( -3.371 0.320 0.313) 3.401 8.998 ( 7.028 -1.090 3.200) 7.799 9.155 ( 8.656 -0.502 4.336) 9.694 9.339 ( -5.868 0.071 -2.697) 6.459 9.464 ( 0.927 0.930 -3.912) 4.126 9.509 ( 2.606 -1.044 -6.541) 7.118 9.888 ( -0.486 1.230 4.908) 5.083 10.086 ( -0.225 4.087 0.767) 4.164 10.157 ( -1.262 -2.233 -0.503) 2.614 10.462 ( 1.539 -0.243 -5.000) 5.237 10.682 ( 0.870 5.028 3.143) 5.993 10.775 ( 1.018 -3.811 -0.119) 3.946 11.466 ( -12.183 -0.910 -1.246) 12.281 11.528 ( -4.843 0.363 2.121) 5.300 11.721 ( 2.768 2.054 2.288) 4.137 11.931 ( 4.143 0.276 -1.280) 4.345 11.993 ( 4.552 -0.555 0.349) 4.599 12.242 ( 3.760 -1.338 -3.838) 5.537 12.649 ( 0.465 4.813 5.585) 7.387 12.868 ( 1.818 1.714 1.361) 2.845 12.949 ( 0.363 0.185 0.294) 0.503 13.110 ( 0.578 -1.925 -3.129) 3.719 13.270 ( 1.331 0.730 -1.257) 1.971 13.398 ( 3.368 -1.394 1.208) 3.840 13.699 ( -1.912 3.526 -1.223) 4.193 13.764 ( -1.467 -2.186 -1.126) 2.863 14.312 ( 5.671 2.326 13.642) 14.956 14.345 ( 1.486 6.457 -1.286) 6.749 14.796 ( 0.209 6.631 -11.348) 13.145 14.939 ( -1.182 -5.540 -12.471) 13.697 15.141 ( -5.777 5.074 3.092) 8.287 15.315 ( -1.026 -4.620 2.025) 5.147 15.610 ( -0.636 2.044 -0.013) 2.141 15.694 ( 0.227 -5.311 -1.334) 5.481 15.954 ( 4.944 -0.643 1.008) 5.086 15.993 ( 3.555 -4.198 1.358) 5.667 16.128 ( -13.957 1.915 6.255) 15.414 16.281 ( 3.754 0.153 9.859) 10.551 16.454 ( -3.562 -1.751 3.714) 5.436 16.701 ( -0.259 1.915 -4.240) 4.660 16.835 ( 6.008 0.038 -1.178) 6.122 17.290 ( 8.283 0.143 -12.615) 15.092 17.628 ( 0.122 1.429 2.115) 2.556 17.708 ( 0.629 -1.308 4.572) 4.797 17.887 ( -0.961 0.856 2.801) 3.083 18.055 ( -4.565 -2.468 2.337) 5.691 18.344 ( 0.619 -2.861 -2.737) 4.007 18.662 ( 5.166 0.928 -14.865) 15.765 19.320 ( -1.816 1.553 10.401) 10.672 19.777 ( -4.482 1.364 -1.071) 4.806 19.935 ( 5.390 5.119 -0.692) 7.465 20.068 ( 1.052 -0.198 -1.584) 1.912 20.362 ( -2.061 -0.807 3.220) 3.907 20.464 ( 0.338 0.880 -0.123) 0.951 21.307 ( -0.954 -3.574 2.040) 4.224 21.384 ( -0.888 0.030 -0.111) 0.895 21.599 ( -0.073 0.887 -2.281) 2.449 21.618 ( 0.643 -0.801 -2.089) 2.327 21.939 ( -1.311 -0.081 5.600) 5.752 22.194 ( -2.244 -1.979 -3.602) 4.682 ======================= Grid point 96 (54/90) ======================= q-point: (-0.29 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -10.555 8.317 1.235) 13.495 3.012 ( -7.548 14.173 1.335) 16.113 3.096 ( 1.567 9.850 -3.454) 10.554 3.238 ( -7.036 -0.400 1.152) 7.141 3.379 ( 3.342 -1.913 -3.195) 5.004 3.496 ( -4.656 2.515 0.294) 5.300 3.573 ( 2.217 -2.820 -12.225) 12.740 3.617 ( -1.455 1.291 -2.483) 3.154 3.765 ( -5.218 1.327 -0.705) 5.430 3.870 ( -0.941 -2.361 -0.753) 2.651 3.979 ( -7.459 -1.831 4.544) 8.924 4.091 ( 1.967 6.199 -1.128) 6.601 4.125 ( -1.413 -8.442 -1.549) 8.698 4.219 ( -9.017 -4.322 5.114) 11.231 4.307 ( -1.511 -2.841 5.548) 6.414 4.414 ( -2.688 -2.401 -1.780) 4.020 4.521 ( -4.648 7.815 11.531) 14.685 4.638 ( -5.926 1.099 0.831) 6.084 4.765 ( -11.338 -6.766 3.951) 13.782 4.932 ( 5.721 9.223 1.379) 10.941 5.029 ( 0.111 -4.135 -2.798) 4.994 5.183 ( 2.710 -11.600 1.558) 12.014 5.311 ( 3.163 -2.215 -2.801) 4.770 5.460 ( -0.382 8.584 -0.219) 8.595 5.589 ( 2.677 -0.078 -0.371) 2.704 5.646 ( 4.994 -0.760 -7.569) 9.100 5.917 ( -0.510 4.678 -0.711) 4.759 6.001 ( -1.287 -1.434 -3.134) 3.679 6.134 ( 6.767 1.450 1.676) 7.121 6.167 ( 4.101 1.090 -0.808) 4.319 6.222 ( 1.657 11.286 -0.266) 11.410 6.425 ( 0.880 2.837 -2.583) 3.936 6.488 ( 0.486 -7.084 -0.080) 7.101 6.604 ( 2.246 -4.110 -3.435) 5.808 6.814 ( -2.606 4.335 1.817) 5.374 6.879 ( 1.922 -0.274 -1.006) 2.187 7.014 ( -0.525 5.036 4.947) 7.079 7.188 ( -2.060 -1.196 6.928) 7.326 7.391 ( -12.810 3.631 4.368) 14.013 7.532 ( -8.812 3.208 -2.580) 9.727 7.724 ( 0.091 -9.449 0.777) 9.481 7.777 ( -4.236 -8.470 -1.899) 9.659 8.188 ( -3.962 1.928 1.102) 4.542 8.362 ( 1.382 0.792 1.275) 2.040 8.376 ( 1.704 -1.476 1.734) 2.844 8.559 ( 0.521 0.814 -2.301) 2.496 8.605 ( 4.949 -0.050 4.982) 7.022 8.767 ( -3.655 -0.235 -4.133) 5.523 8.802 ( 3.732 0.518 -1.185) 3.950 9.154 ( 3.999 1.925 1.735) 4.766 9.201 ( 0.175 -0.573 -3.014) 3.073 9.371 ( 6.502 -2.049 7.011) 9.779 9.479 ( 2.552 0.558 -5.175) 5.797 9.574 ( 4.896 -0.957 -5.245) 7.239 9.900 ( 1.543 1.592 1.529) 2.693 9.989 ( -8.387 1.582 0.088) 8.535 10.206 ( 4.074 -0.822 2.784) 5.002 10.465 ( 1.942 0.215 -4.889) 5.265 10.707 ( -0.394 3.815 2.013) 4.332 10.773 ( -1.833 -2.113 -0.228) 2.806 11.205 ( -11.313 -1.155 -2.550) 11.654 11.384 ( -9.819 1.137 3.589) 10.516 11.818 ( 4.581 0.968 2.533) 5.324 12.000 ( 4.609 1.384 -1.297) 4.984 12.098 ( 4.515 0.415 -2.897) 5.380 12.280 ( 1.291 -2.864 -0.806) 3.244 12.711 ( 2.762 2.637 6.304) 7.370 12.936 ( 4.342 2.610 1.024) 5.168 12.967 ( 0.738 3.074 1.365) 3.444 13.163 ( 6.598 -0.472 -7.914) 10.314 13.334 ( 6.466 1.685 -0.961) 6.751 13.471 ( 4.161 -2.801 0.381) 5.030 13.659 ( -1.188 0.760 0.476) 1.488 13.778 ( 1.046 0.018 4.834) 4.946 14.376 ( 1.924 9.535 -1.224) 9.804 14.468 ( 2.934 0.629 11.394) 11.782 14.734 ( -0.761 2.666 -10.423) 10.785 14.862 ( -0.143 -5.932 -12.753) 14.066 14.978 ( -10.230 0.932 0.726) 10.298 15.318 ( -0.269 -0.166 4.370) 4.381 15.587 ( -2.044 2.580 0.688) 3.363 15.659 ( -3.537 -3.365 -0.567) 4.915 15.927 ( -9.172 1.041 3.224) 9.778 16.054 ( 6.132 -0.903 -1.318) 6.337 16.108 ( 4.957 -2.847 6.309) 8.513 16.366 ( -6.628 -2.261 1.151) 7.097 16.395 ( 4.317 -0.067 4.440) 6.193 16.664 ( 0.105 -0.382 -7.069) 7.080 16.974 ( 7.257 -0.004 1.367) 7.385 17.403 ( 7.286 0.672 -4.356) 8.515 17.659 ( 1.884 2.079 2.745) 3.925 17.762 ( -0.861 -1.850 10.224) 10.426 17.841 ( -0.195 -1.044 -0.620) 1.230 18.061 ( 3.979 0.067 -4.567) 6.058 18.311 ( -2.444 -2.370 -2.373) 4.150 18.687 ( 4.905 0.867 -14.698) 15.519 19.384 ( 3.162 2.046 8.701) 9.481 19.675 ( -6.645 0.586 2.754) 7.217 19.952 ( -3.226 7.363 -0.537) 8.056 20.105 ( 4.160 -3.625 -4.560) 7.158 20.358 ( -0.055 -1.069 3.756) 3.905 20.472 ( 0.643 0.930 -0.201) 1.148 21.274 ( -3.071 -1.141 2.340) 4.026 21.380 ( 0.480 -1.499 -1.454) 2.143 21.549 ( -2.538 -0.174 -2.289) 3.422 21.665 ( 3.477 0.139 0.265) 3.490 21.905 ( -4.977 0.271 5.678) 7.555 22.106 ( -4.538 -2.128 -4.899) 7.009 ======================= Grid point 97 (55/90) ======================= q-point: (-0.14 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -9.093 11.469 2.537) 14.854 2.868 ( -8.401 11.455 4.152) 14.799 3.065 ( -0.996 18.796 -6.882) 20.041 3.124 ( -5.563 2.839 1.638) 6.457 3.344 ( -7.200 1.957 -6.322) 9.779 3.468 ( 0.357 -1.745 0.318) 1.810 3.510 ( 1.759 -14.342 -2.724) 14.704 3.635 ( 4.719 -0.547 -8.708) 9.920 3.741 ( 0.169 0.149 -0.755) 0.788 3.805 ( -2.421 -4.785 2.283) 5.828 3.918 ( -2.672 -1.698 0.148) 3.170 3.981 ( -7.635 -6.585 -4.425) 11.010 4.133 ( 1.731 5.522 2.695) 6.383 4.175 ( -2.007 -2.298 3.945) 4.987 4.268 ( -3.585 1.315 -5.972) 7.088 4.307 ( -2.937 0.354 3.736) 4.765 4.463 ( -6.957 3.300 11.606) 13.928 4.605 ( 0.477 -6.276 4.165) 7.548 4.664 ( -4.144 -4.872 6.424) 9.066 4.985 ( -4.374 -9.767 1.528) 10.810 5.030 ( 4.337 16.128 0.080) 16.702 5.275 ( 5.788 -8.433 -2.312) 10.486 5.333 ( 1.281 3.457 -4.974) 6.191 5.494 ( 2.354 2.363 1.386) 3.612 5.599 ( -1.450 0.256 -5.832) 6.015 5.717 ( 5.185 2.865 4.217) 7.272 5.896 ( -0.564 2.368 -4.777) 5.361 5.965 ( -0.714 1.035 -2.127) 2.471 6.212 ( 1.649 2.845 -0.536) 3.332 6.238 ( 3.755 2.951 -3.338) 5.827 6.291 ( 4.992 5.987 1.100) 7.872 6.385 ( -2.855 1.548 -2.342) 4.004 6.506 ( 2.101 -5.672 -1.791) 6.308 6.604 ( -1.053 -0.827 -1.680) 2.149 6.789 ( -1.064 4.601 1.421) 4.931 6.917 ( 4.193 -2.685 -0.862) 5.053 7.043 ( -0.770 7.917 -1.552) 8.104 7.136 ( -8.359 6.821 11.728) 15.936 7.177 ( -8.521 -4.957 1.246) 9.937 7.389 ( -5.102 5.132 1.890) 7.479 7.718 ( 0.791 -7.673 -0.840) 7.760 7.771 ( -0.203 -16.589 8.652) 18.711 8.129 ( -3.187 1.986 3.967) 5.463 8.337 ( -1.156 1.077 -4.281) 4.563 8.424 ( 0.209 -1.683 4.020) 4.364 8.613 ( 4.779 0.799 -1.496) 5.072 8.669 ( -2.740 -0.356 -6.285) 6.866 8.688 ( 3.306 0.658 0.812) 3.467 8.913 ( 6.025 0.036 2.347) 6.466 9.099 ( -3.375 0.428 -2.202) 4.052 9.286 ( 2.591 -0.593 -2.564) 3.693 9.479 ( 1.988 -0.960 5.770) 6.178 9.490 ( 1.054 0.649 -6.524) 6.640 9.607 ( 0.826 -1.963 -2.250) 3.098 9.838 ( -7.661 -0.012 5.397) 9.372 9.988 ( 7.880 2.382 -4.432) 9.350 10.291 ( 2.829 -0.514 3.486) 4.518 10.498 ( 3.769 0.006 -4.249) 5.679 10.670 ( -4.157 1.596 1.060) 4.578 10.708 ( -3.948 -0.478 0.821) 4.060 11.065 ( -2.982 2.668 -1.978) 4.463 11.238 ( -6.809 -0.488 2.283) 7.198 11.885 ( 1.251 0.440 1.325) 1.875 12.075 ( 3.579 1.284 -3.345) 5.065 12.128 ( 1.279 2.331 -2.295) 3.512 12.292 ( 0.421 -5.572 -0.559) 5.616 12.793 ( 2.067 2.086 6.678) 7.295 12.977 ( -0.385 5.801 1.437) 5.989 13.015 ( 2.915 2.703 1.290) 4.179 13.249 ( 6.579 0.832 -8.679) 10.922 13.472 ( 7.089 3.212 -2.373) 8.137 13.548 ( 3.656 -2.970 -2.376) 5.275 13.693 ( 4.065 -0.713 6.516) 7.713 13.829 ( 0.634 -0.224 7.968) 7.996 14.360 ( -4.557 12.579 0.992) 13.416 14.504 ( -1.015 0.527 1.895) 2.214 14.681 ( -4.778 -4.022 -6.490) 9.007 14.699 ( -5.586 -7.248 -4.898) 10.379 14.980 ( 8.957 0.962 -2.619) 9.382 15.360 ( 3.106 2.585 2.541) 4.773 15.537 ( -4.153 1.692 1.753) 4.815 15.563 ( -5.181 0.354 -2.132) 5.614 15.820 ( -3.612 -0.771 1.375) 3.941 16.097 ( -4.767 0.159 2.283) 5.288 16.207 ( 1.228 -1.445 6.160) 6.445 16.269 ( 0.131 -2.709 -0.558) 2.769 16.483 ( 3.233 -1.726 0.791) 3.749 16.674 ( 5.633 -1.753 -10.457) 12.006 17.084 ( 2.983 -1.015 3.772) 4.915 17.490 ( 1.395 -0.096 3.450) 3.723 17.661 ( -5.418 2.512 7.349) 9.470 17.770 ( 2.250 -1.968 3.655) 4.722 17.959 ( 8.553 -0.831 0.237) 8.597 18.112 ( 3.920 0.918 -6.279) 7.459 18.244 ( -3.018 -1.962 -2.920) 4.635 18.714 ( 6.095 0.831 -16.684) 17.782 19.482 ( 1.637 4.830 7.041) 8.694 19.578 ( -4.171 -1.518 5.432) 7.015 19.853 ( -6.623 5.107 1.102) 8.435 20.145 ( 2.799 -3.173 -7.079) 8.247 20.385 ( 0.459 -1.389 4.215) 4.462 20.486 ( 1.077 0.885 -0.771) 1.593 21.231 ( -2.539 -0.968 2.358) 3.598 21.380 ( 0.715 -1.173 -3.175) 3.460 21.510 ( -0.518 0.041 0.526) 0.739 21.726 ( 1.960 0.244 0.760) 2.116 21.819 ( -6.416 0.678 5.086) 8.215 22.006 ( -2.406 -2.167 -5.814) 6.654 ======================= Grid point 126 (56/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 7.026 0.000 32.154) 32.912 1.411 ( -0.623 0.000 37.332) 37.337 1.818 ( -6.112 0.000 -26.017) 26.725 2.061 ( 0.161 0.000 -27.930) 27.930 2.296 ( -10.799 0.000 50.034) 51.186 3.137 ( -7.699 0.000 -21.046) 22.410 3.153 ( 10.200 0.000 2.897) 10.604 3.259 ( 12.365 0.000 -21.582) 24.874 3.660 ( 3.174 0.000 6.592) 7.316 3.730 ( -12.773 0.000 3.385) 13.214 3.979 ( -1.554 0.000 -4.528) 4.787 3.981 ( 2.929 0.000 -6.186) 6.844 4.102 ( 10.842 0.000 9.196) 14.217 4.302 ( -6.272 0.000 -11.589) 13.177 4.426 ( 2.857 0.000 2.199) 3.605 4.477 ( -3.307 0.000 -3.622) 4.905 4.727 ( 0.652 0.000 12.941) 12.958 4.875 ( -5.209 0.000 -5.661) 7.693 4.889 ( -3.003 0.000 -0.113) 3.005 4.941 ( 3.934 0.000 -5.097) 6.438 5.210 ( 7.332 0.000 6.982) 10.124 5.233 ( -4.564 0.000 3.045) 5.486 5.450 ( 9.057 0.000 2.990) 9.538 5.469 ( -10.108 0.000 0.628) 10.128 5.586 ( -7.804 0.000 -3.237) 8.449 5.606 ( 2.222 0.000 -2.295) 3.194 5.641 ( -0.874 0.000 -1.282) 1.551 5.729 ( 0.509 0.000 -7.623) 7.640 6.057 ( 2.237 0.000 1.726) 2.826 6.104 ( 0.906 0.000 -2.319) 2.490 6.324 ( 5.490 0.000 5.572) 7.822 6.354 ( -2.397 0.000 0.348) 2.422 6.375 ( 1.570 0.000 -1.901) 2.466 6.403 ( -4.573 0.000 -2.150) 5.053 6.919 ( -3.828 0.000 11.236) 11.870 7.093 ( -0.149 0.000 1.854) 1.860 7.100 ( 4.304 0.000 -8.113) 9.184 7.141 ( 0.663 0.000 -3.788) 3.846 7.212 ( 1.590 0.000 6.370) 6.566 7.315 ( -2.236 0.000 -4.450) 4.980 7.871 ( 7.583 0.000 0.754) 7.621 7.883 ( -11.023 0.000 -0.719) 11.047 8.248 ( 0.408 0.000 5.855) 5.869 8.299 ( 0.568 0.000 0.414) 0.704 8.464 ( 1.802 0.000 -1.611) 2.417 8.504 ( -0.599 0.000 -5.614) 5.646 8.818 ( 7.460 0.000 3.045) 8.057 8.877 ( -4.673 0.000 -2.774) 5.434 9.126 ( -8.324 0.000 0.725) 8.356 9.133 ( 5.603 0.000 -0.916) 5.677 9.346 ( -5.518 0.000 3.198) 6.377 9.417 ( 7.328 0.000 -4.380) 8.538 9.660 ( -4.776 0.000 5.607) 7.366 9.716 ( -0.140 0.000 -1.161) 1.170 9.832 ( 0.078 0.000 4.333) 4.333 9.910 ( 0.665 0.000 -3.947) 4.003 10.231 ( -1.706 0.000 6.119) 6.353 10.282 ( -2.703 0.000 14.086) 14.343 10.362 ( 3.396 0.000 -7.649) 8.369 10.523 ( 0.064 0.000 -11.571) 11.571 10.857 ( 3.960 0.000 4.554) 6.035 10.952 ( -3.246 0.000 -5.476) 6.365 11.816 ( -3.016 0.000 2.248) 3.762 11.864 ( 2.915 0.000 -2.854) 4.080 12.232 ( 3.901 0.000 2.485) 4.625 12.285 ( -5.337 0.000 -3.290) 6.270 12.530 ( 0.797 0.000 -0.287) 0.847 12.532 ( 0.387 0.000 -0.304) 0.492 12.864 ( 0.351 0.000 5.946) 5.956 12.954 ( 5.015 0.000 -3.966) 6.394 13.136 ( 5.444 0.000 6.370) 8.380 13.257 ( -4.842 0.000 -6.527) 8.127 13.860 ( -0.462 0.000 2.173) 2.221 13.910 ( -4.357 0.000 -3.235) 5.426 14.304 ( -11.105 0.000 4.791) 12.095 14.370 ( 15.506 0.000 -1.109) 15.546 14.606 ( -17.855 0.000 3.940) 18.284 14.728 ( 18.806 0.000 -7.235) 20.150 15.176 ( -9.544 0.000 10.463) 14.162 15.310 ( 4.867 0.000 -2.207) 5.344 15.334 ( 1.303 0.000 -0.120) 1.309 15.394 ( 10.049 0.000 -8.817) 13.369 16.002 ( -3.758 0.000 1.854) 4.190 16.023 ( 5.724 0.000 -0.240) 5.729 16.373 ( 1.343 0.000 0.167) 1.353 16.393 ( -1.139 0.000 -1.753) 2.091 16.912 ( -5.728 0.000 1.305) 5.874 16.939 ( 3.198 0.000 -1.844) 3.692 17.389 ( 0.762 0.000 11.044) 11.070 17.600 ( 1.341 0.000 -11.301) 11.380 17.661 ( -6.851 0.000 6.335) 9.331 17.795 ( 3.423 0.000 -8.188) 8.874 18.102 ( -16.843 0.000 14.543) 22.253 18.354 ( 16.729 0.000 -11.736) 20.435 18.585 ( 15.503 0.000 -0.099) 15.503 18.596 ( -9.187 0.000 -2.021) 9.406 19.015 ( -4.565 0.000 8.405) 9.565 19.150 ( 2.027 0.000 -6.027) 6.359 19.680 ( -5.405 0.000 7.045) 8.880 19.802 ( 3.298 0.000 -6.233) 7.052 20.417 ( 1.648 0.000 1.179) 2.026 20.436 ( -2.158 0.000 -0.818) 2.308 21.487 ( 3.869 0.000 0.413) 3.891 21.495 ( -13.445 0.000 -0.337) 13.449 21.645 ( -3.370 0.000 1.870) 3.854 21.678 ( 2.378 0.000 -1.708) 2.928 21.833 ( -1.106 0.000 0.711) 1.315 21.848 ( 3.063 0.000 -0.861) 3.182 ======================= Grid point 127 (57/90) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 11.697 0.000 23.373) 26.137 1.667 ( 9.335 0.000 34.289) 35.537 1.755 ( 11.909 0.000 -27.651) 30.107 2.035 ( 10.580 0.000 -26.085) 28.149 2.580 ( 17.917 0.000 43.183) 46.753 2.958 ( -4.354 0.000 -5.417) 6.950 3.396 ( 9.648 0.000 0.795) 9.681 3.429 ( 18.971 0.000 -41.271) 45.423 3.493 ( -10.593 0.000 6.649) 12.507 3.714 ( -1.789 0.000 10.835) 10.982 3.918 ( -3.642 0.000 1.343) 3.882 3.954 ( -2.092 0.000 -3.562) 4.131 4.125 ( -3.572 0.000 -15.421) 15.829 4.335 ( 7.753 0.000 5.520) 9.517 4.381 ( -2.930 0.000 -5.942) 6.625 4.418 ( -4.699 0.000 4.682) 6.634 4.754 ( -3.968 0.000 -1.267) 4.166 4.765 ( -9.278 0.000 1.543) 9.406 4.838 ( 3.335 0.000 15.672) 16.023 5.032 ( 7.014 0.000 -4.687) 8.437 5.194 ( -0.515 0.000 -4.590) 4.619 5.335 ( -3.665 0.000 -2.974) 4.720 5.376 ( 4.753 0.000 6.276) 7.873 5.447 ( -5.399 0.000 3.930) 6.678 5.589 ( -2.314 0.000 -3.850) 4.492 5.623 ( 1.161 0.000 -0.280) 1.194 5.663 ( 8.863 0.000 8.996) 12.628 5.741 ( 3.110 0.000 -6.786) 7.465 6.039 ( -3.435 0.000 2.806) 4.436 6.056 ( -3.428 0.000 -6.551) 7.393 6.294 ( -4.109 0.000 -0.186) 4.113 6.315 ( -3.155 0.000 -5.126) 6.019 6.429 ( 4.428 0.000 -0.324) 4.440 6.516 ( 10.306 0.000 5.714) 11.783 6.957 ( 2.468 0.000 9.093) 9.422 7.069 ( -2.901 0.000 3.110) 4.253 7.090 ( -3.540 0.000 -5.023) 6.145 7.148 ( 3.659 0.000 -9.736) 10.401 7.287 ( 2.093 0.000 6.835) 7.148 7.322 ( 5.729 0.000 -5.273) 7.787 7.728 ( -4.145 0.000 3.008) 5.121 8.011 ( 3.940 0.000 4.800) 6.210 8.276 ( -1.299 0.000 8.220) 8.322 8.322 ( 3.010 0.000 -4.555) 5.460 8.430 ( -3.260 0.000 -8.779) 9.365 8.443 ( -4.211 0.000 2.736) 5.022 8.762 ( -4.386 0.000 -4.488) 6.275 8.862 ( -8.133 0.000 -3.635) 8.908 9.044 ( 3.413 0.000 5.601) 6.559 9.196 ( 0.283 0.000 1.400) 1.428 9.247 ( -3.129 0.000 0.035) 3.129 9.450 ( -0.718 0.000 -0.664) 0.978 9.598 ( -6.861 0.000 3.634) 7.764 9.739 ( 1.331 0.000 1.947) 2.359 9.815 ( -3.224 0.000 2.480) 4.068 9.857 ( -3.831 0.000 -3.763) 5.370 10.162 ( -5.738 0.000 8.217) 10.022 10.304 ( -3.161 0.000 -8.455) 9.026 10.369 ( 0.703 0.000 13.907) 13.925 10.558 ( 6.169 0.000 -11.975) 13.471 10.951 ( 6.858 0.000 -3.603) 7.747 11.022 ( 10.600 0.000 2.605) 10.916 11.770 ( -2.935 0.000 2.631) 3.942 11.907 ( 2.918 0.000 -2.744) 4.006 12.182 ( -4.473 0.000 -2.051) 4.921 12.324 ( 3.604 0.000 5.014) 6.174 12.502 ( -3.871 0.000 -1.596) 4.187 12.505 ( -2.660 0.000 -2.070) 3.371 12.819 ( -5.336 0.000 -0.594) 5.369 12.888 ( -7.282 0.000 -5.881) 9.360 13.146 ( -2.676 0.000 -7.298) 7.773 13.271 ( 5.058 0.000 6.119) 7.939 13.794 ( -7.190 0.000 3.382) 7.946 13.833 ( -3.746 0.000 4.821) 6.105 14.077 ( -12.099 0.000 0.916) 12.134 14.319 ( -12.687 0.000 0.238) 12.689 14.606 ( 9.044 0.000 -0.185) 9.046 15.023 ( 15.226 0.000 -8.384) 17.382 15.088 ( -2.203 0.000 4.224) 4.764 15.317 ( 0.041 0.000 -0.268) 0.271 15.399 ( 5.597 0.000 2.290) 6.047 15.578 ( 10.403 0.000 -15.393) 18.579 15.978 ( 0.353 0.000 0.512) 0.622 16.173 ( 7.421 0.000 -4.593) 8.727 16.355 ( -2.307 0.000 -1.315) 2.655 16.433 ( 7.254 0.000 -2.053) 7.539 16.769 ( -10.679 0.000 3.316) 11.182 16.932 ( -4.260 0.000 0.777) 4.330 17.357 ( -22.530 0.000 16.031) 27.652 17.433 ( -5.585 0.000 8.223) 9.940 17.474 ( -7.937 0.000 -13.037) 15.263 17.764 ( -1.336 0.000 -5.976) 6.124 17.921 ( -7.067 0.000 11.019) 13.091 18.436 ( -0.816 0.000 -8.654) 8.693 18.545 ( 5.372 0.000 -9.357) 10.789 18.827 ( 10.024 0.000 -3.861) 10.742 19.070 ( 4.341 0.000 9.155) 10.132 19.241 ( 8.602 0.000 -5.186) 10.044 19.579 ( -7.220 0.000 5.538) 9.099 19.696 ( -11.290 0.000 3.702) 11.881 20.400 ( -0.546 0.000 -0.948) 1.094 20.455 ( 1.636 0.000 2.249) 2.781 21.358 ( -0.951 0.000 9.407) 9.455 21.528 ( -1.273 0.000 0.820) 1.514 21.593 ( -2.466 0.000 0.389) 2.497 21.714 ( 3.106 0.000 -2.535) 4.009 21.988 ( 13.122 0.000 -6.946) 14.847 22.037 ( 13.140 0.000 6.365) 14.601 ======================= Grid point 128 (58/90) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 13.684 0.000 -2.887) 13.985 1.912 ( 14.010 0.000 -7.877) 16.073 2.098 ( 21.790 0.000 16.440) 27.296 2.201 ( 12.163 0.000 3.922) 12.780 2.794 ( -14.049 0.000 -1.693) 14.151 3.125 ( -12.799 0.000 6.293) 14.262 3.295 ( 26.903 0.000 19.449) 33.197 3.593 ( -6.154 0.000 -4.113) 7.402 3.646 ( 16.556 0.000 -19.496) 25.577 3.680 ( 6.368 0.000 1.520) 6.547 3.887 ( -1.552 0.000 -0.889) 1.788 3.962 ( 6.742 0.000 -7.745) 10.268 4.045 ( 1.631 0.000 -6.456) 6.659 4.294 ( -4.169 0.000 2.377) 4.799 4.370 ( 5.830 0.000 -8.609) 10.397 4.458 ( -2.975 0.000 6.260) 6.931 4.592 ( -8.575 0.000 4.092) 9.502 4.717 ( -1.015 0.000 4.541) 4.653 4.987 ( 3.969 0.000 10.002) 10.761 5.086 ( -8.350 0.000 1.535) 8.490 5.136 ( 5.690 0.000 -8.348) 10.102 5.319 ( -0.845 0.000 3.631) 3.728 5.365 ( -7.857 0.000 1.346) 7.971 5.446 ( 4.944 0.000 -0.974) 5.039 5.534 ( -2.140 0.000 3.512) 4.113 5.671 ( 3.988 0.000 -2.688) 4.809 5.746 ( 1.903 0.000 -8.716) 8.921 5.869 ( 7.571 0.000 8.614) 11.468 5.940 ( -4.129 0.000 -7.781) 8.808 6.024 ( 0.361 0.000 3.708) 3.725 6.182 ( -6.992 0.000 -2.165) 7.319 6.231 ( -2.387 0.000 -7.601) 7.967 6.505 ( 2.992 0.000 0.553) 3.043 6.705 ( 5.404 0.000 2.459) 5.937 6.975 ( -3.817 0.000 -3.958) 5.499 7.031 ( -2.925 0.000 4.810) 5.629 7.080 ( 5.867 0.000 7.806) 9.765 7.203 ( 8.020 0.000 -11.352) 13.899 7.333 ( -1.297 0.000 7.240) 7.355 7.405 ( 5.091 0.000 -7.218) 8.833 7.773 ( 4.398 0.000 8.395) 9.477 8.027 ( -4.162 0.000 4.605) 6.207 8.263 ( -4.227 0.000 8.757) 9.724 8.332 ( -2.353 0.000 -7.330) 7.698 8.348 ( -6.588 0.000 7.197) 9.757 8.385 ( 5.174 0.000 -6.285) 8.141 8.669 ( -3.423 0.000 -5.209) 6.233 8.684 ( -6.300 0.000 -7.427) 9.739 9.044 ( -4.595 0.000 2.474) 5.219 9.167 ( -3.642 0.000 1.659) 4.002 9.318 ( 7.773 0.000 -1.863) 7.993 9.382 ( -13.101 0.000 5.877) 14.358 9.497 ( 3.866 0.000 -0.674) 3.925 9.702 ( -5.627 0.000 -1.174) 5.748 9.747 ( -4.741 0.000 1.718) 5.043 9.804 ( 0.089 0.000 -0.468) 0.476 10.103 ( -5.625 0.000 9.932) 11.415 10.216 ( -1.230 0.000 -8.590) 8.677 10.410 ( -2.199 0.000 11.463) 11.672 10.587 ( 2.710 0.000 -10.755) 11.091 11.161 ( 13.182 0.000 3.749) 13.705 11.247 ( 12.230 0.000 -0.806) 12.257 11.732 ( -2.578 0.000 3.293) 4.182 11.940 ( 2.085 0.000 -3.714) 4.259 12.096 ( -3.956 0.000 -1.200) 4.134 12.339 ( -8.559 0.000 1.647) 8.716 12.376 ( -5.755 0.000 -4.867) 7.537 12.432 ( -1.185 0.000 -1.037) 1.574 12.726 ( -6.174 0.000 -0.385) 6.186 12.742 ( -1.133 0.000 -3.025) 3.230 13.120 ( 3.710 0.000 -5.472) 6.611 13.361 ( 1.227 0.000 4.442) 4.608 13.690 ( -4.721 0.000 3.162) 5.683 13.779 ( -3.725 0.000 3.338) 5.002 13.899 ( -7.073 0.000 0.647) 7.103 14.122 ( -8.771 0.000 -2.070) 9.012 14.729 ( 4.411 0.000 4.811) 6.528 15.126 ( 3.358 0.000 1.910) 3.863 15.205 ( 8.496 0.000 -11.077) 13.960 15.312 ( -0.539 0.000 -1.163) 1.282 15.574 ( 11.653 0.000 2.323) 11.883 15.681 ( 8.597 0.000 -9.803) 13.038 16.002 ( 1.581 0.000 0.051) 1.582 16.191 ( -2.141 0.000 -2.211) 3.077 16.288 ( -4.769 0.000 -0.007) 4.769 16.510 ( -11.506 0.000 1.613) 11.618 16.642 ( 8.681 0.000 -7.483) 11.461 16.777 ( -11.910 0.000 2.743) 12.222 16.983 ( -19.914 0.000 17.434) 26.468 17.284 ( -3.962 0.000 -13.317) 13.894 17.448 ( 0.384 0.000 6.490) 6.501 17.702 ( -2.399 0.000 -4.958) 5.508 17.894 ( -2.139 0.000 10.437) 10.654 18.358 ( -1.769 0.000 -13.018) 13.138 18.637 ( 8.213 0.000 -5.259) 9.752 18.928 ( 2.288 0.000 -2.470) 3.367 19.182 ( 2.767 0.000 6.278) 6.861 19.318 ( -1.475 0.000 1.160) 1.876 19.497 ( -3.501 0.000 3.690) 5.086 19.544 ( -4.092 0.000 3.749) 5.549 20.420 ( 3.006 0.000 -1.161) 3.223 20.492 ( 0.552 0.000 3.263) 3.309 21.425 ( 0.411 0.000 9.456) 9.465 21.488 ( -1.932 0.000 -1.203) 2.276 21.567 ( 0.449 0.000 -0.241) 0.509 21.754 ( 2.517 0.000 -4.158) 4.860 22.195 ( 12.573 0.000 -9.419) 15.710 22.269 ( 5.426 0.000 10.072) 11.441 ======================= Grid point 129 (59/90) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 3.881 0.000 4.173) 5.699 2.153 ( 16.075 0.000 -11.700) 19.882 2.466 ( 9.150 0.000 8.276) 12.338 2.489 ( -10.521 0.000 -0.401) 10.529 2.608 ( 24.828 0.000 8.906) 26.377 2.773 ( -20.725 0.000 11.788) 23.843 3.376 ( -8.530 0.000 -7.705) 11.494 3.519 ( -11.030 0.000 -11.295) 15.787 3.816 ( 5.865 0.000 -1.428) 6.036 3.904 ( -5.002 0.000 -1.296) 5.167 4.002 ( 18.085 0.000 0.056) 18.085 4.096 ( 16.681 0.000 9.965) 19.430 4.171 ( 10.765 0.000 -12.565) 16.545 4.232 ( -9.282 0.000 5.260) 10.668 4.296 ( -6.625 0.000 7.067) 9.687 4.489 ( 9.865 0.000 -10.988) 14.767 4.600 ( 4.041 0.000 9.657) 10.468 4.749 ( 1.513 0.000 4.691) 4.929 4.852 ( -11.023 0.000 6.417) 12.754 5.077 ( -6.843 0.000 -7.764) 10.349 5.134 ( 2.989 0.000 -2.181) 3.700 5.196 ( -7.339 0.000 -8.492) 11.224 5.319 ( -1.042 0.000 13.673) 13.713 5.549 ( 1.958 0.000 3.542) 4.047 5.565 ( 5.597 0.000 -0.521) 5.621 5.696 ( 0.728 0.000 -9.098) 9.128 5.773 ( 5.207 0.000 -5.310) 7.437 5.857 ( -1.626 0.000 -3.097) 3.497 5.997 ( -2.828 0.000 8.440) 8.902 6.045 ( -0.338 0.000 -0.567) 0.660 6.047 ( -0.846 0.000 -4.123) 4.209 6.176 ( 1.628 0.000 -8.594) 8.747 6.547 ( 1.259 0.000 2.048) 2.404 6.678 ( -5.148 0.000 -3.809) 6.404 7.000 ( 5.108 0.000 1.200) 5.247 7.005 ( -2.594 0.000 5.287) 5.889 7.218 ( 2.398 0.000 7.964) 8.317 7.296 ( -4.816 0.000 6.995) 8.493 7.316 ( 8.667 0.000 -10.800) 13.848 7.432 ( 0.898 0.000 -6.731) 6.790 7.904 ( 4.650 0.000 6.959) 8.370 7.967 ( -2.685 0.000 3.621) 4.508 8.244 ( 1.206 0.000 -3.030) 3.261 8.245 ( -6.510 0.000 3.857) 7.567 8.268 ( -4.323 0.000 9.323) 10.276 8.460 ( 4.956 0.000 -6.577) 8.235 8.557 ( -3.956 0.000 -5.853) 7.065 8.583 ( -2.230 0.000 -6.160) 6.552 8.987 ( -1.650 0.000 2.061) 2.640 9.081 ( -4.795 0.000 -2.097) 5.233 9.228 ( -4.794 0.000 9.179) 10.356 9.394 ( 1.856 0.000 -6.316) 6.584 9.626 ( 7.171 0.000 3.931) 8.178 9.628 ( -0.667 0.000 0.077) 0.671 9.669 ( -3.894 0.000 1.070) 4.038 9.789 ( -2.088 0.000 -0.757) 2.221 10.040 ( -6.076 0.000 11.100) 12.654 10.191 ( 3.042 0.000 -9.223) 9.712 10.414 ( -2.177 0.000 8.571) 8.843 10.575 ( 1.863 0.000 -9.383) 9.566 11.383 ( 4.748 0.000 7.384) 8.778 11.451 ( 10.197 0.000 -4.014) 10.959 11.730 ( 1.986 0.000 4.637) 5.045 11.951 ( 1.386 0.000 -4.562) 4.768 12.025 ( -2.165 0.000 -1.525) 2.648 12.102 ( -13.089 0.000 -4.178) 13.740 12.319 ( 2.162 0.000 -3.182) 3.847 12.370 ( -6.285 0.000 1.480) 6.457 12.674 ( -1.165 0.000 3.188) 3.394 12.730 ( 0.836 0.000 -2.950) 3.066 13.224 ( 8.071 0.000 -1.802) 8.270 13.339 ( -5.317 0.000 2.149) 5.735 13.682 ( 2.963 0.000 2.177) 3.677 13.738 ( -1.804 0.000 1.292) 2.219 13.809 ( -3.492 0.000 2.483) 4.285 13.954 ( -7.000 0.000 -4.541) 8.344 14.845 ( 3.992 0.000 10.130) 10.888 15.201 ( 3.376 0.000 2.036) 3.943 15.217 ( 0.203 0.000 -16.199) 16.201 15.293 ( -0.911 0.000 -1.485) 1.742 15.815 ( 7.040 0.000 -1.946) 7.304 15.827 ( 12.354 0.000 -0.250) 12.356 16.004 ( -2.680 0.000 1.055) 2.880 16.104 ( -6.455 0.000 -0.312) 6.463 16.193 ( -3.058 0.000 1.400) 3.363 16.277 ( -9.067 0.000 0.216) 9.070 16.604 ( -6.821 0.000 4.433) 8.135 16.721 ( -0.621 0.000 -8.433) 8.456 16.861 ( 0.941 0.000 12.573) 12.608 17.187 ( -0.255 0.000 -13.428) 13.430 17.495 ( 1.614 0.000 4.907) 5.165 17.636 ( -1.900 0.000 -4.760) 5.125 17.928 ( 0.071 0.000 11.875) 11.875 18.257 ( -1.900 0.000 -14.016) 14.144 18.781 ( 8.603 0.000 -3.269) 9.204 18.875 ( -7.437 0.000 1.632) 7.613 19.236 ( 0.458 0.000 5.129) 5.149 19.262 ( -3.734 0.000 6.034) 7.096 19.481 ( 0.041 0.000 2.357) 2.358 19.544 ( 1.754 0.000 -3.331) 3.764 20.485 ( 3.913 0.000 -1.020) 4.044 20.495 ( -2.021 0.000 3.296) 3.867 21.430 ( -2.512 0.000 5.159) 5.738 21.464 ( 0.324 0.000 -1.537) 1.570 21.613 ( 2.456 0.000 3.714) 4.453 21.762 ( 0.711 0.000 -5.761) 5.804 22.322 ( -3.905 0.000 7.909) 8.820 22.362 ( 9.619 0.000 -8.327) 12.722 ======================= Grid point 130 (60/90) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -23.328 0.000 12.268) 26.357 2.149 ( -22.761 0.000 2.458) 22.893 2.519 ( 12.501 0.000 -4.533) 13.298 2.585 ( 9.535 0.000 -1.408) 9.639 2.737 ( 0.951 0.000 0.946) 1.342 2.991 ( 11.028 0.000 -10.186) 15.012 3.307 ( -1.894 0.000 -5.843) 6.143 3.335 ( 10.696 0.000 6.500) 12.516 3.624 ( -32.882 0.000 21.179) 39.113 3.740 ( -13.765 0.000 6.615) 15.272 3.970 ( -2.339 0.000 1.043) 2.561 4.175 ( -5.122 0.000 -5.644) 7.622 4.241 ( -1.172 0.000 -8.064) 8.149 4.283 ( 9.727 0.000 0.309) 9.732 4.388 ( -5.534 0.000 2.000) 5.884 4.528 ( 4.553 0.000 -14.497) 15.195 4.720 ( 3.870 0.000 8.675) 9.499 4.813 ( -0.590 0.000 -10.118) 10.135 4.920 ( -2.144 0.000 0.961) 2.350 4.939 ( 12.103 0.000 12.822) 17.632 5.089 ( 2.825 0.000 -6.711) 7.282 5.122 ( 2.124 0.000 -6.525) 6.862 5.417 ( 1.848 0.000 15.918) 16.025 5.555 ( -5.275 0.000 -3.928) 6.576 5.629 ( 3.119 0.000 -1.456) 3.442 5.652 ( 2.538 0.000 -8.237) 8.619 5.754 ( -6.745 0.000 -8.196) 10.615 5.852 ( 2.905 0.000 -2.706) 3.970 5.974 ( -0.753 0.000 11.034) 11.060 6.026 ( 0.608 0.000 -2.382) 2.459 6.077 ( 2.215 0.000 -2.371) 3.244 6.192 ( 3.556 0.000 -9.949) 10.565 6.575 ( -4.045 0.000 -0.791) 4.121 6.591 ( 1.805 0.000 5.597) 5.880 6.974 ( -3.343 0.000 4.145) 5.325 7.086 ( 3.633 0.000 -2.599) 4.467 7.125 ( -10.639 0.000 8.587) 13.672 7.329 ( -0.013 0.000 5.323) 5.323 7.356 ( -5.046 0.000 -7.030) 8.654 7.412 ( 5.388 0.000 -6.323) 8.307 7.972 ( 1.135 0.000 0.482) 1.234 8.006 ( 4.555 0.000 1.470) 4.786 8.147 ( -5.302 0.000 3.437) 6.318 8.231 ( -1.315 0.000 5.424) 5.581 8.335 ( 5.694 0.000 5.993) 8.266 8.483 ( -0.171 0.000 -6.533) 6.535 8.514 ( 3.395 0.000 -2.961) 4.505 8.544 ( 0.549 0.000 -5.747) 5.773 9.021 ( 3.816 0.000 3.967) 5.504 9.026 ( 0.779 0.000 -2.010) 2.156 9.252 ( 1.023 0.000 9.021) 9.079 9.384 ( 2.112 0.000 -7.451) 7.744 9.617 ( -2.104 0.000 1.627) 2.659 9.631 ( -2.611 0.000 1.396) 2.961 9.737 ( 0.374 0.000 -3.957) 3.974 9.752 ( 3.319 0.000 3.161) 4.584 10.007 ( -2.010 0.000 10.584) 10.774 10.223 ( 4.430 0.000 -8.648) 9.716 10.413 ( -2.160 0.000 7.791) 8.085 10.588 ( 4.350 0.000 -9.744) 10.671 11.375 ( -6.511 0.000 4.279) 7.791 11.551 ( 1.302 0.000 -10.154) 10.237 11.829 ( 2.034 0.000 6.953) 7.245 11.849 ( -6.956 0.000 -8.448) 10.944 11.986 ( 1.990 0.000 2.712) 3.363 12.063 ( 8.089 0.000 0.952) 8.145 12.257 ( -5.537 0.000 2.984) 6.290 12.400 ( 6.474 0.000 -1.214) 6.587 12.675 ( -0.628 0.000 3.144) 3.206 12.728 ( 0.085 0.000 -2.957) 2.958 13.201 ( -9.199 0.000 0.688) 9.225 13.358 ( 5.695 0.000 0.207) 5.699 13.703 ( -1.988 0.000 -0.255) 2.004 13.753 ( 1.250 0.000 -0.048) 1.251 13.850 ( 7.593 0.000 6.306) 9.870 13.868 ( 0.821 0.000 -3.829) 3.916 14.958 ( 1.885 0.000 12.008) 12.155 15.093 ( -4.510 0.000 -17.104) 17.689 15.250 ( -2.270 0.000 -3.286) 3.994 15.266 ( 2.427 0.000 1.586) 2.899 15.762 ( -13.855 0.000 3.017) 14.180 15.794 ( -10.024 0.000 2.991) 10.461 16.025 ( -0.671 0.000 -1.098) 1.287 16.088 ( 4.825 0.000 1.568) 5.073 16.236 ( 4.337 0.000 -3.650) 5.668 16.287 ( 12.479 0.000 0.726) 12.500 16.555 ( -1.411 0.000 4.485) 4.702 16.698 ( 2.622 0.000 0.298) 2.639 16.963 ( 3.491 0.000 4.915) 6.028 17.154 ( 4.886 0.000 -14.829) 15.613 17.555 ( 2.494 0.000 3.876) 4.609 17.592 ( -0.139 0.000 -5.645) 5.647 18.005 ( 1.638 0.000 13.403) 13.503 18.163 ( -0.975 0.000 -13.442) 13.477 18.706 ( -11.244 0.000 5.216) 12.394 18.899 ( 4.324 0.000 -1.483) 4.571 19.242 ( -1.280 0.000 3.427) 3.658 19.256 ( -1.319 0.000 6.601) 6.732 19.515 ( 2.943 0.000 0.042) 2.943 19.556 ( 1.753 0.000 -4.747) 5.061 20.452 ( -3.762 0.000 2.461) 4.496 20.538 ( 1.826 0.000 -1.051) 2.107 21.414 ( -0.975 0.000 4.044) 4.160 21.487 ( 2.642 0.000 -1.214) 2.908 21.665 ( 0.636 0.000 4.588) 4.632 21.722 ( -1.772 0.000 -7.522) 7.728 22.223 ( -9.591 0.000 6.663) 11.679 22.471 ( 5.801 0.000 -8.021) 9.899 ======================= Grid point 131 (61/90) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -21.087 0.000 22.172) 30.598 1.658 ( -29.723 0.000 12.532) 32.257 2.546 ( -7.696 0.000 -23.691) 24.910 2.553 ( -7.713 0.000 -20.537) 21.937 2.800 ( 12.099 0.000 -1.469) 12.188 3.004 ( -42.707 0.000 36.713) 56.318 3.128 ( 7.263 0.000 4.466) 8.526 3.437 ( -12.582 0.000 2.815) 12.893 3.460 ( 12.316 0.000 9.207) 15.377 3.703 ( 13.320 0.000 1.655) 13.422 3.971 ( 0.793 0.000 -2.257) 2.392 4.040 ( -9.230 0.000 -16.865) 19.225 4.077 ( -2.664 0.000 -5.429) 6.047 4.253 ( -5.840 0.000 4.490) 7.367 4.369 ( 2.639 0.000 -7.118) 7.592 4.618 ( -5.668 0.000 -6.793) 8.847 4.669 ( 11.668 0.000 -6.180) 13.203 4.740 ( -3.689 0.000 5.747) 6.829 5.029 ( 3.012 0.000 6.393) 7.067 5.030 ( -2.683 0.000 -1.623) 3.136 5.117 ( 1.312 0.000 -7.713) 7.824 5.269 ( 4.677 0.000 10.496) 11.491 5.406 ( -5.502 0.000 -4.871) 7.348 5.552 ( 8.376 0.000 3.765) 9.183 5.618 ( -3.234 0.000 1.313) 3.491 5.642 ( 0.359 0.000 -15.448) 15.453 5.682 ( 2.976 0.000 -3.203) 4.372 5.849 ( -1.241 0.000 -0.395) 1.303 6.004 ( -0.989 0.000 10.866) 10.911 6.006 ( -2.777 0.000 -3.903) 4.790 6.143 ( 5.578 0.000 -2.834) 6.257 6.235 ( 6.767 0.000 -8.863) 11.151 6.506 ( -3.975 0.000 0.922) 4.081 6.643 ( -2.344 0.000 9.111) 9.408 6.928 ( -1.599 0.000 3.503) 3.851 6.999 ( -5.975 0.000 7.946) 9.942 7.116 ( 1.572 0.000 -4.264) 4.544 7.212 ( -5.379 0.000 -6.807) 8.676 7.302 ( -4.696 0.000 3.759) 6.015 7.442 ( 0.259 0.000 -4.429) 4.436 7.930 ( -4.155 0.000 -7.964) 8.983 8.097 ( 4.484 0.000 -1.525) 4.736 8.147 ( 2.618 0.000 9.057) 9.428 8.228 ( -3.976 0.000 9.772) 10.549 8.464 ( 0.877 0.000 -7.859) 7.908 8.500 ( 6.453 0.000 -8.246) 10.471 8.552 ( 6.546 0.000 5.182) 8.349 8.583 ( 4.142 0.000 2.185) 4.683 9.094 ( 7.119 0.000 -3.017) 7.731 9.145 ( 5.562 0.000 4.665) 7.259 9.273 ( -3.612 0.000 3.199) 4.825 9.418 ( 1.630 0.000 -0.155) 1.637 9.546 ( -0.304 0.000 -4.021) 4.032 9.638 ( 3.095 0.000 6.224) 6.951 9.775 ( -1.521 0.000 2.577) 2.992 9.795 ( 5.567 0.000 -3.367) 6.506 10.068 ( 2.948 0.000 7.327) 7.898 10.268 ( 4.571 0.000 -8.171) 9.363 10.399 ( -3.893 0.000 9.114) 9.911 10.627 ( 4.383 0.000 -11.128) 11.960 11.237 ( -8.701 0.000 0.772) 8.735 11.321 ( -16.346 0.000 -15.273) 22.371 11.804 ( 2.430 0.000 -4.241) 4.888 11.858 ( -0.880 0.000 4.920) 4.998 12.074 ( 4.904 0.000 1.852) 5.242 12.247 ( 3.526 0.000 9.154) 9.810 12.279 ( 10.754 0.000 5.018) 11.867 12.495 ( 2.724 0.000 -4.299) 5.089 12.684 ( 0.321 0.000 3.151) 3.168 12.711 ( 0.059 0.000 0.677) 0.680 13.053 ( -5.518 0.000 1.400) 5.692 13.415 ( 0.388 0.000 -1.328) 1.384 13.718 ( 4.221 0.000 0.008) 4.221 13.806 ( 4.793 0.000 1.519) 5.028 13.922 ( 5.877 0.000 -1.895) 6.175 14.047 ( 9.167 0.000 5.250) 10.563 14.896 ( -8.254 0.000 -14.282) 16.496 15.004 ( -3.483 0.000 10.020) 10.609 15.188 ( -1.828 0.000 -4.547) 4.901 15.305 ( 1.360 0.000 0.360) 1.407 15.509 ( -14.845 0.000 8.385) 17.050 15.596 ( -10.126 0.000 -0.409) 10.134 16.002 ( -1.512 0.000 0.084) 1.514 16.130 ( -1.050 0.000 4.071) 4.204 16.310 ( 3.618 0.000 -2.523) 4.411 16.458 ( -0.640 0.000 4.867) 4.909 16.643 ( 12.582 0.000 -4.829) 13.477 16.853 ( 12.972 0.000 -1.732) 13.087 17.030 ( 0.763 0.000 10.216) 10.245 17.280 ( 16.887 0.000 -14.019) 21.948 17.577 ( 1.964 0.000 -7.674) 7.921 17.620 ( 2.280 0.000 3.608) 4.268 18.103 ( 1.391 0.000 -12.037) 12.117 18.113 ( 2.871 0.000 13.868) 14.162 18.527 ( -10.583 0.000 6.839) 12.601 18.909 ( -2.881 0.000 -0.370) 2.905 19.231 ( -5.683 0.000 8.299) 10.059 19.236 ( -0.693 0.000 0.120) 0.703 19.579 ( 3.736 0.000 -4.454) 5.814 19.595 ( 5.449 0.000 -0.337) 5.460 20.396 ( -2.517 0.000 1.338) 2.850 20.536 ( -1.316 0.000 -1.280) 1.836 21.443 ( 2.102 0.000 4.078) 4.588 21.542 ( 3.145 0.000 -0.063) 3.146 21.625 ( -3.735 0.000 -9.571) 10.274 21.680 ( -1.091 0.000 3.846) 3.997 22.053 ( -10.989 0.000 6.266) 12.650 22.474 ( -1.972 0.000 -11.802) 11.966 ======================= Grid point 132 (62/90) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -19.831 0.000 26.366) 32.992 1.359 ( -12.043 0.000 32.403) 34.568 2.186 ( -17.660 0.000 -22.116) 28.302 2.273 ( -6.446 0.000 -29.830) 30.518 2.469 ( -32.338 0.000 47.161) 57.183 2.987 ( 7.039 0.000 4.196) 8.194 3.161 ( 2.592 0.000 -12.502) 12.768 3.388 ( -1.929 0.000 2.163) 2.898 3.635 ( -5.893 0.000 -16.363) 17.392 3.768 ( 14.293 0.000 9.662) 17.253 3.929 ( -8.836 0.000 1.612) 8.982 3.993 ( 3.875 0.000 -5.863) 7.028 4.001 ( 2.122 0.000 -7.155) 7.463 4.302 ( 7.167 0.000 2.627) 7.634 4.387 ( 1.756 0.000 -3.516) 3.930 4.535 ( -1.745 0.000 -5.678) 5.940 4.702 ( -2.966 0.000 8.149) 8.672 4.835 ( 7.712 0.000 -5.581) 9.519 4.941 ( -4.878 0.000 1.250) 5.036 5.022 ( -3.212 0.000 -5.130) 6.053 5.104 ( 0.792 0.000 3.929) 4.008 5.304 ( -4.552 0.000 9.310) 10.363 5.345 ( 0.942 0.000 -2.111) 2.312 5.585 ( 1.644 0.000 -9.581) 9.721 5.627 ( 1.387 0.000 3.095) 3.392 5.639 ( -1.602 0.000 -7.669) 7.835 5.688 ( -1.462 0.000 -5.265) 5.464 5.807 ( -3.407 0.000 -3.173) 4.656 5.966 ( 3.272 0.000 0.653) 3.337 6.058 ( 2.279 0.000 5.064) 5.553 6.228 ( 3.984 0.000 0.377) 4.002 6.331 ( 5.532 0.000 -4.548) 7.161 6.424 ( -4.727 0.000 0.491) 4.753 6.538 ( -9.768 0.000 3.836) 10.494 6.952 ( -2.976 0.000 7.883) 8.426 7.019 ( 5.416 0.000 5.413) 7.657 7.095 ( -0.412 0.000 -6.049) 6.063 7.143 ( 0.914 0.000 -5.143) 5.223 7.218 ( -5.206 0.000 4.978) 7.203 7.392 ( -2.881 0.000 -4.202) 5.094 7.818 ( -1.819 0.000 -5.687) 5.971 8.078 ( -7.391 0.000 -1.378) 7.518 8.211 ( -0.304 0.000 7.344) 7.351 8.260 ( 3.163 0.000 7.308) 7.963 8.436 ( 1.295 0.000 -7.085) 7.202 8.514 ( 1.775 0.000 -5.474) 5.754 8.685 ( 5.168 0.000 3.381) 6.176 8.802 ( 12.456 0.000 2.473) 12.699 9.141 ( -4.628 0.000 -4.716) 6.607 9.208 ( -0.908 0.000 1.554) 1.800 9.264 ( 8.440 0.000 -2.175) 8.716 9.390 ( -2.643 0.000 4.232) 4.990 9.670 ( 9.071 0.000 -3.710) 9.800 9.725 ( -3.435 0.000 6.776) 7.597 9.765 ( 3.736 0.000 3.393) 5.047 9.875 ( 4.339 0.000 -3.577) 5.624 10.157 ( 2.662 0.000 7.342) 7.809 10.311 ( 4.265 0.000 -8.326) 9.355 10.348 ( -6.456 0.000 10.266) 12.127 10.624 ( 0.168 0.000 -12.706) 12.707 10.932 ( -15.323 0.000 -3.220) 15.658 11.078 ( -7.302 0.000 -2.908) 7.860 11.830 ( 2.361 0.000 -3.770) 4.448 11.852 ( -1.963 0.000 3.212) 3.765 12.154 ( 3.648 0.000 0.900) 3.757 12.405 ( -4.146 0.000 -1.689) 4.476 12.453 ( 9.006 0.000 4.944) 10.273 12.478 ( 4.253 0.000 -1.176) 4.412 12.767 ( 8.744 0.000 5.159) 10.152 12.778 ( 4.155 0.000 6.004) 7.301 13.035 ( 1.831 0.000 4.386) 4.752 13.367 ( -3.653 0.000 -4.186) 5.556 13.818 ( 4.475 0.000 0.215) 4.480 13.921 ( 5.732 0.000 -3.548) 6.742 14.089 ( 13.024 0.000 -0.342) 13.029 14.246 ( 9.992 0.000 6.973) 12.184 14.671 ( -8.748 0.000 -6.924) 11.156 14.888 ( -12.950 0.000 5.495) 14.068 15.174 ( 4.240 0.000 -5.013) 6.566 15.308 ( -8.969 0.000 11.218) 14.362 15.328 ( -1.974 0.000 1.841) 2.700 15.435 ( -6.154 0.000 -1.538) 6.343 15.982 ( -0.196 0.000 0.018) 0.197 16.086 ( -5.632 0.000 4.663) 7.312 16.348 ( 1.670 0.000 -0.705) 1.813 16.425 ( -2.014 0.000 -0.334) 2.042 16.838 ( 9.081 0.000 -4.076) 9.954 16.972 ( 0.087 0.000 -3.035) 3.036 17.215 ( 10.796 0.000 14.149) 17.798 17.579 ( 7.334 0.000 -7.778) 10.691 17.624 ( 17.312 0.000 -13.349) 21.861 17.668 ( 0.946 0.000 3.919) 4.032 18.128 ( 8.741 0.000 -10.892) 13.966 18.229 ( 0.162 0.000 12.377) 12.378 18.403 ( -3.447 0.000 8.110) 8.812 18.792 ( -9.212 0.000 -0.057) 9.212 19.123 ( -9.090 0.000 7.586) 11.840 19.198 ( -2.287 0.000 -4.677) 5.206 19.678 ( 9.064 0.000 -4.639) 10.182 19.684 ( 2.065 0.000 3.873) 4.389 20.385 ( 0.789 0.000 0.698) 1.054 20.487 ( -2.810 0.000 -1.105) 3.020 21.493 ( -3.798 0.000 -4.249) 5.699 21.526 ( 4.643 0.000 1.757) 4.964 21.621 ( 4.493 0.000 -3.629) 5.776 21.665 ( -1.816 0.000 2.707) 3.260 21.899 ( -7.251 0.000 3.277) 7.957 22.213 ( -20.282 0.000 -14.112) 24.709 ======================= Grid point 133 (63/90) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 5.406 13.974 28.177) 31.913 1.506 ( 0.810 11.970 31.898) 34.079 1.923 ( -5.136 9.610 -24.369) 26.694 2.098 ( 0.561 4.233 -31.523) 31.811 2.709 ( -9.725 34.253 44.047) 56.639 3.171 ( 7.068 6.751 0.397) 9.782 3.252 ( -7.569 5.283 -0.519) 9.245 3.472 ( 13.568 16.919 -23.032) 31.636 3.692 ( 1.474 4.650 -0.242) 4.884 3.741 ( -11.236 1.224 4.290) 12.089 3.928 ( -0.020 -3.379 -5.561) 6.507 3.980 ( 0.721 -0.921 -5.950) 6.064 4.121 ( 9.571 2.293 5.876) 11.463 4.295 ( -4.543 -0.007 -10.721) 11.644 4.411 ( 3.866 -1.848 2.285) 4.857 4.468 ( -2.895 -0.968 -2.805) 4.145 4.620 ( -0.835 -9.245 14.308) 17.055 4.853 ( -3.165 -5.706 -9.311) 11.370 4.874 ( -0.874 -3.066 -0.316) 3.204 4.941 ( -0.459 -1.456 -5.371) 5.583 5.075 ( 2.427 -8.465 4.868) 10.062 5.117 ( -0.367 -9.936 1.675) 10.083 5.302 ( 0.223 -1.689 1.726) 2.425 5.386 ( 3.558 -2.841 -7.530) 8.799 5.584 ( -4.006 0.435 0.663) 4.084 5.653 ( 0.258 0.675 -4.826) 4.880 5.843 ( -4.500 8.551 5.523) 11.130 5.906 ( 3.916 6.756 -1.495) 7.950 6.071 ( 0.575 4.577 3.091) 5.553 6.142 ( -0.208 4.790 -3.061) 5.688 6.236 ( -2.088 -2.290 2.942) 4.274 6.307 ( 0.585 3.164 -4.314) 5.382 6.513 ( 0.939 5.170 1.720) 5.529 6.528 ( 0.681 5.268 -0.192) 5.315 6.820 ( -1.252 -10.336 8.165) 13.231 6.920 ( 2.797 -14.390 -1.802) 14.769 7.022 ( -2.299 -4.428 2.005) 5.377 7.077 ( 1.964 -2.015 -3.417) 4.426 7.247 ( 1.216 0.874 2.991) 3.345 7.316 ( -2.351 0.792 -3.324) 4.148 7.893 ( -4.305 3.383 4.450) 7.055 7.976 ( 0.899 4.789 -4.527) 6.651 8.207 ( -0.725 -2.990 5.640) 6.425 8.297 ( 0.127 -1.388 -2.802) 3.130 8.483 ( 0.255 1.384 0.366) 1.454 8.529 ( 1.093 1.978 -4.683) 5.200 8.807 ( 5.724 -0.248 5.455) 7.910 8.914 ( -3.389 2.750 -5.584) 7.087 9.078 ( -2.647 -2.558 6.941) 7.857 9.179 ( 2.151 2.051 -4.390) 5.301 9.351 ( -3.293 -0.227 2.805) 4.332 9.426 ( 5.190 -1.894 -4.203) 6.942 9.679 ( -3.491 1.338 2.032) 4.255 9.699 ( -0.500 -1.089 0.138) 1.206 9.828 ( -0.937 -0.414 2.861) 3.039 9.891 ( 0.760 -1.227 -3.551) 3.833 10.271 ( -5.527 3.794 5.583) 8.725 10.301 ( 1.122 3.233 11.727) 12.216 10.403 ( 5.020 3.205 -4.212) 7.295 10.549 ( -2.080 2.348 -10.561) 11.017 10.881 ( 4.449 2.034 5.074) 7.049 10.984 ( -2.858 2.715 -5.831) 7.038 11.871 ( -2.410 3.677 3.031) 5.340 11.930 ( 2.607 4.946 -3.229) 6.457 12.196 ( 2.505 -1.355 5.359) 6.069 12.264 ( -1.125 1.468 -2.295) 2.947 12.438 ( 1.742 -3.481 5.896) 7.066 12.545 ( -3.539 -1.696 -4.950) 6.317 12.857 ( 6.005 2.626 9.681) 11.691 13.023 ( -3.866 4.451 -7.440) 9.493 13.243 ( 4.862 5.467 -0.480) 7.332 13.292 ( -3.863 4.520 -4.435) 7.417 13.858 ( 0.066 -0.010 2.711) 2.712 13.908 ( -3.944 0.272 -2.756) 4.819 14.258 ( -8.632 -3.830 4.584) 10.497 14.333 ( 11.720 -3.063 -3.280) 12.550 14.681 ( -8.576 7.362 7.968) 13.829 14.855 ( 9.340 7.647 -10.514) 16.008 15.091 ( -6.829 -6.513 8.329) 12.587 15.204 ( 5.940 -6.030 -4.556) 9.613 15.381 ( 0.825 3.990 4.493) 6.065 15.524 ( 5.296 7.389 -11.137) 14.377 15.915 ( 0.203 -6.536 4.534) 7.957 15.985 ( 0.877 -3.994 -2.868) 4.995 16.363 ( -0.858 -1.087 0.529) 1.483 16.387 ( 1.076 -0.570 -2.056) 2.390 16.899 ( -4.423 -1.866 2.630) 5.474 16.937 ( 2.641 -1.033 -1.627) 3.270 17.414 ( 1.830 1.160 7.690) 7.990 17.521 ( -3.352 -4.008 -0.336) 5.236 17.718 ( -6.579 1.381 -1.707) 6.936 17.776 ( 6.004 0.425 -5.644) 8.251 18.048 ( -12.582 -4.112 12.816) 18.425 18.313 ( 13.453 -4.281 -14.431) 20.189 18.442 ( 5.136 -8.542 5.256) 11.268 18.530 ( -0.780 -4.422 -4.375) 6.270 19.104 ( -2.917 6.964 6.986) 10.286 19.218 ( 2.058 5.740 -5.196) 8.011 19.728 ( -7.820 5.100 13.391) 16.324 19.968 ( 5.642 9.179 -13.885) 17.575 20.434 ( 1.870 1.570 0.653) 2.527 20.446 ( -2.397 0.991 -0.447) 2.632 21.459 ( -6.473 -2.824 0.754) 7.102 21.461 ( -0.377 -2.699 0.759) 2.829 21.656 ( 0.452 0.010 1.158) 1.243 21.661 ( 0.085 -0.557 1.549) 1.648 21.762 ( -0.113 -1.448 6.412) 6.574 21.929 ( 1.391 2.278 -11.217) 11.530 ======================= Grid point 134 (64/90) ======================= q-point: ( 0.14 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 7.675 9.666 22.870) 25.988 1.823 ( 12.431 10.852 6.006) 17.561 1.908 ( 15.449 13.018 -8.529) 21.929 2.097 ( 14.095 6.208 -20.915) 25.974 2.888 ( 9.474 25.676 34.814) 44.283 3.100 ( -5.833 11.675 -1.235) 13.109 3.385 ( 11.996 3.965 -4.139) 13.295 3.520 ( -13.074 3.554 5.712) 14.704 3.641 ( 13.149 14.727 -25.240) 32.044 3.715 ( -0.122 0.088 8.491) 8.492 3.852 ( -4.681 -4.593 -0.344) 6.567 3.957 ( -0.530 -0.860 -4.174) 4.295 4.156 ( -2.513 3.701 -12.714) 13.478 4.316 ( 5.642 -2.335 -0.080) 6.107 4.373 ( -0.614 0.824 -2.087) 2.326 4.427 ( -3.988 0.641 3.177) 5.139 4.723 ( 3.054 -9.492 14.663) 17.732 4.734 ( -6.584 -3.800 -0.026) 7.602 4.760 ( -2.544 -1.210 -3.207) 4.268 5.076 ( 6.304 0.585 -3.154) 7.073 5.094 ( 2.552 -8.702 -1.984) 9.283 5.141 ( -2.083 -8.219 0.902) 8.526 5.326 ( 2.505 -4.498 -1.298) 5.309 5.411 ( 3.852 -5.624 -7.218) 9.928 5.546 ( 0.068 4.371 6.268) 7.642 5.644 ( -0.710 0.449 -1.708) 1.903 5.785 ( -2.268 7.685 4.161) 9.029 5.987 ( 2.865 9.682 -0.082) 10.098 6.045 ( -3.770 -1.548 -4.471) 6.050 6.121 ( -0.330 7.661 0.857) 7.716 6.184 ( -5.221 -1.813 2.559) 6.091 6.292 ( -0.309 0.550 -1.595) 1.715 6.462 ( -1.317 3.584 -0.146) 3.821 6.664 ( 8.516 4.947 0.302) 9.853 6.796 ( -3.179 -13.856 2.079) 14.367 6.956 ( 0.574 -9.405 -4.687) 10.524 7.026 ( 2.284 -3.359 3.946) 5.663 7.106 ( 2.038 -0.869 -1.391) 2.616 7.286 ( 2.761 -1.813 1.184) 3.509 7.364 ( 6.671 3.223 -0.486) 7.425 7.845 ( -2.112 8.172 5.704) 10.187 8.003 ( 1.641 0.040 1.015) 1.930 8.214 ( -2.421 -4.139 7.792) 9.150 8.288 ( 0.811 -2.691 -5.509) 6.185 8.456 ( -2.875 1.698 1.509) 3.664 8.500 ( -1.560 3.843 -4.884) 6.408 8.790 ( -3.734 1.335 -5.658) 6.909 8.880 ( -7.897 1.423 0.247) 8.028 9.035 ( 1.980 -0.582 5.351) 5.735 9.178 ( -1.374 -0.488 -3.824) 4.092 9.276 ( -3.603 1.098 3.058) 4.852 9.463 ( 0.854 -3.213 -5.171) 6.148 9.580 ( -7.069 1.420 3.804) 8.152 9.730 ( -0.107 -1.585 2.059) 2.600 9.803 ( -2.596 -1.131 2.388) 3.705 9.862 ( -2.277 1.169 -1.818) 3.140 10.176 ( -6.106 2.190 7.402) 9.842 10.358 ( -4.109 4.098 -6.442) 8.671 10.402 ( 1.977 3.635 10.151) 10.962 10.590 ( 7.006 2.483 -8.379) 11.201 10.970 ( 6.176 1.576 -3.269) 7.163 11.055 ( 10.174 2.748 1.155) 10.601 11.829 ( -3.469 4.297 3.026) 6.297 11.959 ( 2.070 3.478 -3.571) 5.398 12.160 ( -3.957 0.874 -1.343) 4.269 12.314 ( 3.460 0.493 0.323) 3.510 12.425 ( -4.245 -1.228 -0.752) 4.483 12.546 ( 3.166 -4.805 4.846) 7.523 12.802 ( -11.496 6.000 -6.454) 14.485 12.985 ( 0.429 4.744 3.412) 5.859 13.187 ( -3.555 3.669 -5.409) 7.440 13.329 ( 3.493 4.651 1.671) 6.052 13.790 ( -6.190 0.169 1.737) 6.431 13.851 ( -3.550 1.436 5.045) 6.333 14.090 ( -10.360 0.644 1.503) 10.488 14.395 ( -12.155 5.577 -2.875) 13.679 14.535 ( 4.550 -4.050 1.356) 6.240 14.975 ( 3.146 -6.079 -0.417) 6.857 15.065 ( 6.373 -0.357 -3.173) 7.128 15.315 ( 2.348 -1.506 -0.160) 2.794 15.473 ( 6.711 6.694 4.123) 10.337 15.620 ( 10.161 3.805 -14.873) 18.410 15.922 ( 0.365 -4.743 1.083) 4.879 16.079 ( 7.166 -7.851 -3.676) 11.247 16.319 ( -2.646 -2.865 -0.533) 3.936 16.443 ( 5.455 0.161 -1.532) 5.668 16.760 ( -10.714 -0.423 3.529) 11.288 16.955 ( -1.744 -0.494 0.038) 1.813 17.313 ( -21.685 -2.679 10.764) 24.358 17.394 ( -7.732 -2.613 -1.862) 8.371 17.535 ( -5.733 4.781 0.570) 7.487 17.786 ( -1.013 1.967 -5.373) 5.811 17.911 ( -6.136 -0.819 10.414) 12.115 18.412 ( 0.706 -4.940 -5.230) 7.229 18.448 ( 6.364 -4.786 -13.332) 15.529 18.685 ( 9.125 -9.642 -0.140) 13.276 19.153 ( 3.756 6.008 5.271) 8.831 19.299 ( 7.688 5.325 -4.283) 10.286 19.602 ( -11.126 4.765 14.126) 18.602 19.889 ( -7.422 10.652 -6.765) 14.639 20.407 ( -0.980 0.651 -0.662) 1.350 20.470 ( 1.312 1.389 2.289) 2.982 21.339 ( -0.740 -1.747 6.757) 7.018 21.534 ( -0.407 0.294 0.511) 0.717 21.607 ( -2.407 1.178 0.341) 2.702 21.692 ( 2.313 -1.888 -2.142) 3.674 21.932 ( 11.293 -5.104 7.037) 14.252 22.035 ( 11.928 -0.018 -8.227) 14.490 ======================= Grid point 135 (65/90) ======================= q-point: ( 0.29 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 12.859 7.297 0.724) 14.803 2.145 ( 14.124 12.302 -12.007) 22.248 2.168 ( 22.596 9.336 3.042) 24.637 2.386 ( 13.808 14.708 14.111) 24.619 2.918 ( -14.943 10.166 0.064) 18.073 3.193 ( -15.857 6.643 3.307) 17.507 3.381 ( 22.130 6.235 11.131) 25.544 3.564 ( -4.878 -3.255 2.855) 6.523 3.659 ( 5.389 6.124 -0.084) 8.158 3.820 ( 10.028 8.504 -2.826) 13.449 3.883 ( 4.618 1.358 -4.307) 6.459 3.955 ( 6.889 -0.711 -6.600) 9.567 4.082 ( -0.903 5.000 -6.363) 8.142 4.307 ( -2.320 0.966 -2.348) 3.440 4.355 ( 3.349 0.120 -6.710) 7.501 4.471 ( 3.041 -0.514 3.656) 4.783 4.589 ( -8.591 0.233 0.183) 8.596 4.740 ( -0.221 1.361 5.522) 5.691 4.849 ( 0.563 -11.226 8.032) 13.815 5.042 ( -5.959 -4.241 6.691) 9.913 5.067 ( -2.795 -6.297 -6.186) 9.259 5.198 ( 7.596 -3.687 -3.803) 9.261 5.380 ( 2.126 -3.580 -2.570) 4.893 5.436 ( 0.500 2.023 -2.292) 3.098 5.601 ( -1.803 1.706 0.744) 2.592 5.673 ( 8.937 -0.574 1.335) 9.055 5.787 ( 0.000 3.429 0.831) 3.528 5.911 ( -5.346 0.787 -0.127) 5.405 6.020 ( -0.007 6.810 -4.017) 7.906 6.072 ( -4.202 -4.400 -3.472) 7.005 6.126 ( -2.165 8.605 4.455) 9.929 6.253 ( -2.639 -0.051 -3.459) 4.351 6.486 ( 2.389 1.761 1.394) 3.279 6.751 ( -2.124 -8.434 -0.526) 8.714 6.819 ( 6.965 -6.740 -0.690) 9.717 6.916 ( 0.279 -4.525 -3.292) 5.603 7.065 ( -0.618 0.997 4.681) 4.825 7.199 ( 7.091 -1.187 0.541) 7.210 7.380 ( 5.832 -0.431 1.390) 6.011 7.462 ( 3.394 4.867 -3.118) 6.703 7.876 ( 1.544 8.232 6.702) 10.727 8.019 ( -1.991 -0.936 4.717) 5.205 8.186 ( -3.584 -4.000 7.962) 9.604 8.270 ( 0.628 -3.300 -6.586) 7.393 8.409 ( -4.573 3.917 5.550) 8.189 8.444 ( -0.666 2.759 -6.569) 7.156 8.685 ( -6.271 1.029 -3.552) 7.280 8.706 ( -5.552 1.674 -5.221) 7.803 9.034 ( -4.220 -0.839 0.356) 4.318 9.139 ( -2.430 -3.168 -1.655) 4.322 9.269 ( -0.442 -0.802 5.887) 5.958 9.375 ( -6.265 -5.024 -2.018) 8.280 9.539 ( 2.674 4.674 -0.075) 5.385 9.666 ( -5.894 -2.867 -0.241) 6.559 9.761 ( -2.408 1.714 0.128) 2.958 9.830 ( -1.426 1.822 2.242) 3.222 10.112 ( -4.805 1.261 8.870) 10.166 10.271 ( -1.099 4.354 -7.238) 8.518 10.457 ( -0.492 4.446 8.417) 9.532 10.642 ( 2.558 4.215 -8.116) 9.496 11.163 ( 12.588 0.189 3.117) 12.969 11.265 ( 11.822 1.645 -1.468) 12.026 11.769 ( -4.587 2.295 3.305) 6.102 11.964 ( 0.400 0.505 -5.103) 5.144 12.087 ( -2.556 2.734 -2.152) 4.317 12.310 ( -1.393 0.169 -3.803) 4.054 12.376 ( -5.662 0.546 3.887) 6.890 12.523 ( -7.420 0.380 -4.031) 8.452 12.658 ( 1.994 5.976 3.252) 7.090 12.949 ( -5.001 9.875 0.882) 11.104 13.146 ( 3.111 2.529 -5.076) 6.469 13.389 ( 1.077 2.581 2.574) 3.801 13.702 ( -3.347 1.505 1.689) 4.039 13.792 ( -4.807 1.091 4.225) 6.492 13.918 ( -7.604 1.666 0.614) 7.808 14.155 ( -10.671 3.113 -2.991) 11.512 14.645 ( 5.403 -6.211 3.122) 8.804 15.034 ( 3.084 -7.194 0.519) 7.844 15.179 ( 6.660 -2.459 -8.123) 10.788 15.326 ( -0.347 0.700 -0.605) 0.988 15.643 ( 10.531 5.092 0.419) 11.705 15.753 ( 9.511 6.429 -6.485) 13.185 15.950 ( 1.857 -4.235 0.536) 4.656 16.111 ( -2.403 -6.359 -1.584) 6.980 16.277 ( -1.518 -2.083 -0.718) 2.676 16.536 ( -10.195 -3.239 4.236) 11.505 16.576 ( 3.459 1.669 -4.701) 6.070 16.858 ( -7.782 3.556 -2.214) 8.838 16.928 ( -19.450 -3.702 14.609) 24.605 17.239 ( -4.698 -3.329 -9.630) 11.220 17.503 ( -0.813 4.294 5.234) 6.818 17.726 ( -2.367 1.921 -4.823) 5.706 17.891 ( -2.060 -0.141 10.527) 10.728 18.352 ( -1.225 -0.485 -13.538) 13.601 18.554 ( 8.961 -7.248 -5.650) 12.836 18.799 ( 2.395 -9.523 0.935) 9.864 19.241 ( 2.866 4.764 3.186) 6.407 19.380 ( -1.053 5.601 0.673) 5.739 19.505 ( -2.697 3.889 9.049) 10.212 19.719 ( -6.652 10.421 -2.082) 12.538 20.418 ( 2.428 -0.166 -0.897) 2.594 20.500 ( 0.099 0.678 3.305) 3.376 21.408 ( 1.921 -1.701 8.072) 8.470 21.497 ( -1.805 0.856 -1.465) 2.478 21.572 ( -0.608 0.545 -0.898) 1.213 21.727 ( 2.254 -2.569 -3.819) 5.125 22.151 ( 8.620 -5.186 3.023) 10.504 22.219 ( 8.660 -3.033 -2.372) 9.477 ======================= Grid point 136 (66/90) ======================= q-point: ( 0.43 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 11.971 7.381 2.487) 14.282 2.332 ( 8.495 12.516 -9.068) 17.637 2.574 ( 12.048 9.256 0.776) 15.213 2.601 ( -10.966 9.059 2.409) 14.426 2.732 ( 16.785 11.348 10.715) 22.920 2.864 ( -17.308 8.827 11.147) 22.399 3.385 ( -8.118 0.918 -2.772) 8.628 3.551 ( -6.892 2.732 -10.427) 12.794 3.806 ( 5.222 -0.518 1.460) 5.447 3.945 ( -5.562 3.483 -1.567) 6.747 4.019 ( 15.355 0.273 -6.042) 16.503 4.090 ( 6.584 -0.991 4.191) 7.867 4.198 ( 3.094 0.204 1.609) 3.493 4.242 ( 3.749 6.312 -3.719) 8.230 4.377 ( -0.365 5.923 3.044) 6.670 4.492 ( 2.778 0.770 -3.162) 4.279 4.573 ( 4.878 -2.209 6.174) 8.173 4.736 ( -5.073 -6.188 1.337) 8.113 4.779 ( -1.966 -0.641 6.392) 6.718 4.962 ( -2.708 -4.969 -3.979) 6.918 5.121 ( 2.704 -8.059 13.114) 15.628 5.227 ( -2.599 1.961 -7.902) 8.546 5.296 ( -4.367 5.261 -7.451) 10.113 5.462 ( -0.306 -7.561 -8.263) 11.205 5.605 ( 6.364 0.722 2.820) 6.998 5.779 ( -2.611 2.753 -1.033) 3.933 5.823 ( 2.442 2.538 -0.598) 3.573 5.882 ( 2.338 2.412 3.170) 4.619 5.980 ( -2.241 1.601 1.637) 3.204 6.025 ( 2.406 -1.130 -3.372) 4.293 6.091 ( -2.239 3.822 -1.331) 4.626 6.178 ( -2.444 -0.228 -5.614) 6.127 6.527 ( 1.394 -0.959 1.483) 2.250 6.662 ( -5.218 -2.932 -4.504) 7.491 6.925 ( 3.455 -9.121 2.955) 10.191 6.975 ( 3.783 -1.790 -0.019) 4.185 7.106 ( 3.993 -0.634 5.286) 6.654 7.267 ( -4.153 -1.809 4.248) 6.210 7.458 ( 2.827 5.290 -1.949) 6.307 7.492 ( 2.702 4.449 -5.366) 7.476 7.931 ( 1.550 2.421 4.244) 5.126 7.985 ( -2.316 0.424 2.624) 3.525 8.181 ( -2.350 -1.970 10.427) 10.868 8.281 ( 3.607 2.667 -6.549) 7.938 8.328 ( -5.688 3.544 6.258) 9.170 8.422 ( 1.808 -2.734 -6.015) 6.850 8.567 ( -3.763 0.553 -3.285) 5.025 8.602 ( -3.233 1.456 -5.799) 6.797 8.975 ( -1.429 -0.725 0.599) 1.711 9.042 ( -4.640 -3.560 -2.266) 6.272 9.240 ( -2.543 1.135 8.081) 8.548 9.374 ( 1.797 -2.475 -1.471) 3.394 9.548 ( -0.855 -3.676 -1.178) 3.953 9.614 ( -0.137 -2.393 -0.624) 2.477 9.735 ( 0.533 4.784 1.187) 4.958 9.799 ( -2.532 1.450 1.062) 3.105 10.087 ( -2.838 3.536 9.612) 10.627 10.250 ( 2.080 3.891 -7.573) 8.765 10.476 ( -1.607 5.754 7.543) 9.623 10.629 ( 1.413 4.566 -8.654) 9.886 11.384 ( 6.321 0.022 6.144) 8.814 11.464 ( 9.329 1.337 -3.496) 10.052 11.715 ( -0.959 -1.271 4.178) 4.471 11.922 ( -1.977 -2.508 -6.905) 7.607 12.050 ( -0.705 4.038 -0.381) 4.117 12.155 ( -10.931 2.805 -1.729) 11.416 12.345 ( 4.190 2.383 -2.331) 5.354 12.419 ( -5.473 4.822 0.574) 7.317 12.726 ( 2.034 5.553 4.990) 7.738 12.859 ( -2.811 9.686 -2.730) 10.448 13.245 ( 7.961 1.952 -1.777) 8.388 13.365 ( -5.053 2.150 1.319) 5.648 13.698 ( 1.947 1.524 2.733) 3.686 13.742 ( -1.358 0.746 1.671) 2.279 13.821 ( -3.372 1.399 1.414) 3.915 13.961 ( -7.607 0.817 -4.797) 9.031 14.768 ( 4.619 -5.826 7.953) 10.887 15.062 ( 0.507 -9.054 -7.031) 11.474 15.229 ( 2.575 -1.199 -4.174) 5.048 15.305 ( -1.101 0.778 -2.176) 2.559 15.868 ( 12.160 2.288 -3.541) 12.870 15.897 ( 6.398 6.378 1.202) 9.113 15.970 ( -1.696 -1.670 0.465) 2.425 16.018 ( -6.007 -5.844 1.945) 8.604 16.244 ( -0.959 2.248 -0.224) 2.454 16.313 ( -9.791 2.501 1.587) 10.229 16.561 ( -4.635 -3.187 3.737) 6.753 16.720 ( -5.350 -0.400 -3.554) 6.436 16.841 ( 2.160 -1.531 7.840) 8.275 17.140 ( -0.204 -3.947 -12.751) 13.350 17.530 ( 0.970 2.920 4.730) 5.643 17.662 ( -1.720 2.168 -4.700) 5.455 17.925 ( -0.139 -0.178 12.136) 12.139 18.258 ( -1.436 0.170 -14.612) 14.684 18.703 ( 8.457 -6.973 -3.500) 11.507 18.772 ( -6.172 -8.388 3.177) 10.888 19.273 ( -2.871 4.023 7.566) 9.037 19.339 ( 0.207 5.915 0.153) 5.921 19.539 ( 0.779 5.492 3.843) 6.748 19.640 ( -0.566 7.450 -3.610) 8.298 20.476 ( 3.584 -0.771 -0.579) 3.712 20.495 ( -2.260 -0.080 3.113) 3.847 21.436 ( -2.047 0.421 5.567) 5.947 21.476 ( 0.469 1.059 -1.511) 1.904 21.596 ( 2.450 -1.521 1.803) 3.401 21.730 ( 0.169 -3.074 -5.378) 6.197 22.253 ( -1.543 -5.766 7.732) 9.768 22.335 ( 7.367 -2.715 -7.840) 11.096 ======================= Grid point 137 (67/90) ======================= q-point: (-0.43 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -21.807 12.807 10.518) 27.389 2.267 ( -20.071 10.715 1.648) 22.812 2.577 ( 3.597 5.360 -1.706) 6.677 2.669 ( 11.509 7.094 -0.261) 13.522 2.856 ( 3.537 10.954 -1.591) 11.620 3.081 ( 11.225 7.878 -9.176) 16.500 3.351 ( 4.363 4.480 6.139) 8.763 3.393 ( 3.214 4.735 -4.049) 7.010 3.713 ( -24.545 8.250 16.607) 30.762 3.768 ( -13.453 2.915 4.959) 14.631 3.957 ( -4.157 -0.153 3.004) 5.131 4.146 ( -1.942 -4.323 -4.300) 6.399 4.238 ( 0.002 -0.935 -3.172) 3.307 4.316 ( 4.889 3.336 -3.667) 6.963 4.375 ( -3.127 -0.418 -2.773) 4.200 4.568 ( 1.706 2.608 -7.915) 8.507 4.640 ( 2.352 -5.595 7.020) 9.279 4.767 ( -1.586 -3.319 -9.047) 9.766 4.860 ( 5.291 -4.230 1.289) 6.895 4.953 ( 12.086 1.014 5.588) 13.354 5.080 ( -8.017 0.067 0.278) 8.022 5.181 ( -0.601 0.588 -0.465) 0.961 5.312 ( 6.528 -0.780 5.047) 8.288 5.426 ( 2.981 -9.970 -14.283) 17.672 5.642 ( -8.682 0.443 -2.359) 9.007 5.771 ( 6.874 0.132 2.285) 7.245 5.787 ( -4.604 6.986 3.261) 8.979 5.898 ( -0.807 4.212 -4.254) 6.041 6.000 ( -0.247 0.368 7.915) 7.927 6.015 ( -3.338 -0.590 -2.528) 4.229 6.124 ( 7.211 2.748 -5.099) 9.250 6.163 ( 4.884 -0.376 -6.859) 8.428 6.555 ( -3.307 -1.984 -1.147) 4.023 6.579 ( 2.402 -1.248 3.822) 4.684 6.938 ( -4.327 -3.465 3.121) 6.361 6.963 ( -5.671 -7.126 -0.319) 9.113 7.138 ( -4.665 0.830 1.817) 5.074 7.252 ( 3.260 -3.963 5.509) 7.529 7.441 ( -3.903 4.740 -2.228) 6.532 7.507 ( 1.436 5.270 -4.313) 6.959 7.964 ( 0.169 -1.072 0.876) 1.395 8.007 ( 4.410 -0.015 1.315) 4.602 8.172 ( -3.711 3.210 5.342) 7.253 8.252 ( -1.706 1.680 5.848) 6.319 8.352 ( 4.046 0.943 -3.186) 5.235 8.479 ( 4.334 -1.142 -7.493) 8.731 8.519 ( 1.964 1.315 1.426) 2.761 8.551 ( 0.339 1.130 -2.450) 2.719 8.956 ( -0.853 -3.689 2.221) 4.389 9.036 ( 4.513 -0.505 -1.444) 4.765 9.282 ( 2.053 1.937 7.325) 7.850 9.370 ( 1.076 -1.263 -4.829) 5.106 9.516 ( -4.271 -5.259 2.695) 7.291 9.617 ( 2.373 -3.155 -1.708) 4.301 9.765 ( -0.628 3.269 -1.479) 3.643 9.802 ( 4.600 2.895 0.849) 5.501 10.082 ( -2.525 5.855 10.098) 11.943 10.252 ( 1.934 2.068 -7.748) 8.249 10.465 ( -2.954 4.870 7.163) 9.152 10.647 ( 4.619 4.922 -8.889) 11.162 11.387 ( -6.658 1.166 3.652) 7.683 11.544 ( -0.428 -0.640 -9.393) 9.425 11.781 ( 0.541 -5.026 3.898) 6.383 11.828 ( -0.013 -0.188 -4.778) 4.782 11.998 ( -3.431 2.870 5.260) 6.905 12.133 ( 8.014 4.534 0.802) 9.243 12.311 ( -5.562 5.768 0.868) 8.060 12.446 ( 6.460 3.076 -1.715) 7.358 12.740 ( -2.822 5.764 3.641) 7.379 12.864 ( 4.892 10.595 -3.452) 12.170 13.227 ( -8.571 2.197 -0.033) 8.848 13.379 ( 5.508 2.054 0.026) 5.878 13.716 ( -1.608 1.346 0.419) 2.139 13.770 ( 0.630 1.793 -0.560) 1.981 13.825 ( 4.080 -1.957 4.041) 6.067 13.897 ( 4.902 2.791 -1.480) 5.832 14.882 ( 2.770 -6.025 9.514) 11.597 14.971 ( -4.594 -8.924 -13.642) 16.937 15.225 ( -3.172 -1.288 0.229) 3.431 15.294 ( 2.097 0.903 -2.289) 3.233 15.781 ( -13.461 1.957 4.518) 14.333 15.895 ( -7.323 6.423 1.269) 9.823 15.976 ( -0.589 -3.606 -0.149) 3.656 16.053 ( 4.335 -2.617 -0.898) 5.142 16.256 ( 2.756 1.369 -1.775) 3.553 16.350 ( 12.724 4.944 -0.965) 13.685 16.514 ( -2.994 -3.462 5.391) 7.072 16.690 ( 3.854 -0.546 1.806) 4.291 16.911 ( 1.571 -4.564 2.757) 5.559 17.130 ( 6.593 -2.056 -13.865) 15.490 17.573 ( 0.838 1.663 3.605) 4.058 17.628 ( 1.200 2.975 -4.826) 5.795 17.997 ( 1.240 -0.611 13.552) 13.622 18.168 ( -0.747 0.557 -13.831) 13.862 18.627 ( -10.419 -6.971 4.928) 13.470 18.809 ( 3.337 -7.466 -1.411) 8.299 19.250 ( -2.480 3.064 7.344) 8.335 19.367 ( 1.400 7.394 -0.629) 7.552 19.565 ( 1.192 4.540 2.069) 5.130 19.647 ( 3.195 7.427 -4.787) 9.396 20.446 ( -3.783 -0.455 2.478) 4.545 20.532 ( 2.106 -0.564 -0.655) 2.276 21.422 ( -1.271 0.687 4.259) 4.497 21.500 ( 2.723 1.232 -1.192) 3.218 21.644 ( 0.742 -2.049 3.069) 3.764 21.679 ( -2.433 -3.773 -6.413) 7.828 22.190 ( -8.034 -2.928 7.046) 11.080 22.408 ( 3.885 -5.487 -8.141) 10.558 ======================= Grid point 138 (68/90) ======================= q-point: (-0.29 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -21.136 13.742 16.582) 30.175 1.825 ( -27.204 13.659 12.445) 32.886 2.466 ( -7.929 0.529 -16.979) 18.746 2.748 ( -10.855 11.396 -18.324) 24.156 2.937 ( 12.440 10.682 -1.305) 16.449 3.165 ( 5.468 4.862 4.032) 8.354 3.217 ( -30.828 18.996 26.889) 45.103 3.445 ( -7.124 3.120 5.801) 9.703 3.575 ( 8.089 7.268 4.676) 11.837 3.716 ( 12.009 1.583 3.113) 12.506 3.939 ( -0.640 -2.754 -0.883) 2.962 4.084 ( -1.082 -0.279 -4.620) 4.754 4.102 ( -8.357 4.401 -10.405) 14.053 4.261 ( -5.864 0.343 -1.260) 6.008 4.369 ( 1.811 2.667 -7.472) 8.138 4.528 ( -6.217 -5.844 -2.271) 8.829 4.610 ( 4.486 -3.531 -0.806) 5.765 4.786 ( 2.184 -0.724 2.115) 3.125 4.946 ( -2.894 -6.971 -5.241) 9.189 5.030 ( 6.693 -3.799 1.612) 7.863 5.121 ( -1.047 2.592 -4.581) 5.366 5.156 ( 0.300 -8.311 4.477) 9.445 5.370 ( -4.875 0.393 -2.530) 5.506 5.427 ( 2.037 -6.633 -5.370) 8.774 5.586 ( 4.342 0.020 2.027) 4.792 5.714 ( -1.451 2.474 -0.649) 2.941 5.813 ( -2.476 2.389 -5.805) 6.748 5.887 ( 1.176 5.079 2.337) 5.713 5.999 ( 2.136 2.196 5.211) 6.045 6.030 ( 1.532 -1.654 -0.563) 2.323 6.214 ( 4.316 -0.507 -3.061) 5.316 6.244 ( 5.829 8.568 -6.731) 12.357 6.495 ( -2.603 0.214 0.235) 2.623 6.669 ( 0.581 -0.033 9.871) 9.888 6.771 ( -6.869 -12.494 1.704) 14.359 6.891 ( -4.166 -4.072 0.628) 5.859 7.106 ( -0.745 -0.859 -0.467) 1.229 7.211 ( -6.291 -1.458 -0.287) 6.464 7.345 ( -6.651 1.507 1.573) 6.998 7.500 ( -0.573 3.291 -3.417) 4.779 7.970 ( -0.129 3.055 -2.660) 4.053 8.095 ( -2.273 -1.833 8.532) 9.018 8.118 ( 3.258 1.402 -5.177) 6.276 8.299 ( 1.185 4.003 8.630) 9.587 8.386 ( 2.924 -4.049 -10.152) 11.314 8.491 ( 1.314 -0.085 -1.196) 1.778 8.598 ( 4.025 2.912 3.565) 6.115 8.661 ( 10.512 4.618 -1.064) 11.531 8.997 ( 3.206 -6.835 4.448) 8.763 9.130 ( 4.120 -0.813 -1.164) 4.358 9.312 ( -1.119 -0.423 1.902) 2.247 9.387 ( 1.796 -0.945 -2.966) 3.593 9.511 ( 3.742 -1.341 2.660) 4.783 9.663 ( 3.340 -0.471 -0.006) 3.373 9.762 ( 1.007 1.285 -0.398) 1.680 9.868 ( 1.977 4.030 -1.313) 4.677 10.113 ( 1.103 4.569 9.455) 10.559 10.268 ( 4.022 0.364 -7.378) 8.411 10.439 ( -3.806 3.784 7.334) 9.088 10.682 ( 3.037 4.251 -9.147) 10.534 11.250 ( -8.433 1.324 0.755) 8.570 11.291 ( -16.941 -2.586 -11.904) 20.866 11.825 ( 3.864 -2.634 0.148) 4.678 11.869 ( 1.565 2.639 2.212) 3.783 12.009 ( 0.865 1.485 6.945) 7.155 12.245 ( -1.766 4.394 2.689) 5.445 12.360 ( 12.882 2.841 5.269) 14.205 12.520 ( 1.486 2.334 -4.335) 5.142 12.692 ( -2.884 3.382 0.239) 4.451 12.968 ( 6.994 13.956 -0.287) 15.613 13.100 ( -3.413 4.318 -1.416) 5.683 13.428 ( 0.020 1.521 -1.331) 2.021 13.713 ( 2.380 0.465 0.309) 2.444 13.819 ( 4.562 0.667 2.189) 5.103 13.943 ( 8.500 1.125 -1.838) 8.769 14.071 ( 10.250 3.484 4.917) 11.891 14.778 ( -8.931 -8.270 -11.444) 16.707 14.951 ( -0.301 -4.708 7.621) 8.963 15.146 ( -4.018 -2.623 -2.145) 5.256 15.325 ( 1.384 0.811 -0.549) 1.695 15.550 ( -13.052 3.414 6.433) 14.947 15.737 ( -8.831 10.654 -1.982) 13.980 15.939 ( -2.783 -5.275 1.517) 6.154 16.087 ( -0.657 -3.927 1.268) 4.178 16.294 ( 2.133 -1.429 -2.676) 3.708 16.468 ( -2.683 -0.541 5.224) 5.898 16.629 ( 12.849 -0.293 -3.874) 13.424 16.883 ( 14.713 2.346 1.012) 14.933 16.955 ( 2.375 -6.501 4.800) 8.423 17.267 ( 14.892 -1.043 -11.442) 18.809 17.578 ( -0.237 0.896 -0.782) 1.213 17.672 ( 4.080 3.789 -1.690) 5.819 18.085 ( 1.405 -1.296 3.058) 3.607 18.117 ( 1.671 0.130 -0.664) 1.803 18.454 ( -9.924 -6.187 4.705) 12.605 18.800 ( -3.911 -8.123 0.276) 9.020 19.239 ( -2.689 3.074 5.098) 6.532 19.349 ( -3.615 7.576 0.811) 8.434 19.631 ( 5.359 2.939 -0.020) 6.112 19.716 ( 6.604 10.344 -4.339) 13.017 20.395 ( -2.148 -0.059 1.534) 2.640 20.540 ( -0.817 0.281 -0.931) 1.271 21.442 ( 1.275 -0.264 4.553) 4.735 21.555 ( 0.709 0.496 1.146) 1.436 21.569 ( -2.047 -4.046 -9.069) 10.140 21.664 ( -0.741 -1.544 2.740) 3.231 22.045 ( -10.304 -0.764 6.654) 12.290 22.376 ( -3.500 -8.163 -10.974) 14.118 ======================= Grid point 139 (69/90) ======================= q-point: (-0.14 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -17.237 15.781 21.677) 31.875 1.498 ( -14.524 12.372 27.575) 33.532 2.207 ( -9.332 3.892 -23.015) 25.138 2.363 ( -14.497 8.036 -24.701) 29.747 2.829 ( -24.412 30.837 39.311) 55.608 3.082 ( 2.564 9.803 2.988) 10.565 3.268 ( 5.638 6.193 -2.443) 8.724 3.424 ( 0.927 3.526 3.813) 5.276 3.745 ( -2.780 9.641 -16.409) 19.233 3.823 ( 8.813 5.246 3.499) 10.837 3.899 ( -5.477 -1.513 1.605) 5.905 3.977 ( 5.567 -0.789 -9.810) 11.307 4.016 ( -2.366 0.986 -4.866) 5.500 4.271 ( 6.035 -3.000 1.518) 6.908 4.414 ( 2.692 3.353 -2.517) 4.982 4.448 ( -1.870 -7.295 0.977) 7.594 4.634 ( -3.072 -6.336 5.104) 8.696 4.810 ( 2.404 -0.491 -2.442) 3.461 4.924 ( 0.592 -8.059 -5.938) 10.028 5.041 ( -2.649 1.114 -0.441) 2.907 5.056 ( -2.511 -7.390 -0.790) 7.845 5.163 ( -2.377 -6.176 0.416) 6.631 5.304 ( -1.459 1.889 1.243) 2.691 5.385 ( -1.793 -10.057 -5.203) 11.464 5.620 ( 0.053 1.056 -2.235) 2.472 5.688 ( 0.307 0.167 -7.580) 7.588 5.827 ( 1.609 -1.770 3.819) 4.506 5.902 ( -0.573 11.032 2.879) 11.415 6.041 ( 1.776 8.303 -0.931) 8.542 6.104 ( 3.984 0.696 3.172) 5.140 6.254 ( 0.266 -3.541 -0.272) 3.561 6.295 ( 3.396 7.507 -7.536) 11.166 6.464 ( -0.077 5.280 0.253) 5.287 6.602 ( -6.782 -0.903 7.360) 10.048 6.790 ( 1.317 -10.793 1.332) 10.955 6.863 ( 1.505 -9.864 5.085) 11.199 7.075 ( -3.277 -1.949 1.774) 4.205 7.103 ( -3.086 -1.703 -3.666) 5.086 7.250 ( -3.299 -0.592 2.140) 3.977 7.422 ( -5.437 2.173 -3.709) 6.931 7.935 ( -1.698 7.472 -1.881) 7.890 8.030 ( -3.603 -2.430 -2.007) 4.787 8.187 ( 1.427 -0.709 2.579) 3.032 8.313 ( -1.354 0.202 1.291) 1.882 8.433 ( 4.605 1.498 -1.580) 5.094 8.513 ( 2.064 0.183 -3.130) 3.754 8.689 ( 4.016 1.321 3.915) 5.762 8.878 ( 10.316 4.451 0.600) 11.251 9.078 ( -1.010 -5.900 6.933) 9.159 9.135 ( 2.208 -1.761 -4.657) 5.447 9.333 ( 3.036 2.187 -2.616) 4.566 9.392 ( -0.476 -1.724 1.880) 2.595 9.624 ( 5.962 -1.517 -1.006) 6.233 9.743 ( 2.260 -2.017 0.674) 3.104 9.792 ( 1.794 2.498 2.600) 4.027 9.881 ( 1.303 1.643 -2.739) 3.450 10.194 ( 2.556 3.954 8.948) 10.111 10.325 ( 4.848 1.303 -5.961) 7.793 10.380 ( -6.175 3.514 7.028) 9.994 10.661 ( -0.876 2.796 -10.767) 11.159 10.928 ( -13.717 0.077 -0.425) 13.724 11.102 ( -6.780 2.076 -2.878) 7.653 11.883 ( 0.186 -0.211 3.781) 3.792 11.895 ( 2.248 5.558 -3.057) 6.730 12.091 ( 3.925 -1.318 7.415) 8.492 12.263 ( 1.048 0.447 4.208) 4.359 12.457 ( -3.547 1.732 -4.585) 6.050 12.610 ( 3.688 -4.459 1.312) 5.933 12.656 ( 4.690 7.614 5.500) 10.499 13.073 ( 0.062 5.558 -1.953) 5.891 13.121 ( 8.626 11.025 -2.028) 14.144 13.381 ( -3.271 2.242 -3.229) 5.114 13.799 ( 4.927 -1.178 0.681) 5.111 13.917 ( 4.256 -0.088 -1.326) 4.458 14.127 ( 11.174 1.714 -2.353) 11.547 14.296 ( 7.897 3.396 5.945) 10.451 14.590 ( -2.276 -3.032 -3.287) 5.018 14.921 ( -5.717 0.839 2.508) 6.299 15.084 ( -0.638 -5.488 -2.036) 5.889 15.316 ( -5.188 -0.951 0.567) 5.304 15.382 ( -6.349 3.867 8.237) 11.096 15.568 ( -5.731 10.698 -5.699) 13.408 15.905 ( -1.623 -6.431 2.802) 7.200 16.040 ( -4.189 -4.166 0.756) 5.956 16.330 ( 2.867 -1.491 -1.863) 3.730 16.424 ( -2.864 -0.561 0.746) 3.012 16.815 ( 8.400 -2.296 -1.557) 8.846 16.965 ( -0.447 -1.883 -0.866) 2.120 17.220 ( 13.640 0.367 8.456) 16.053 17.555 ( 10.321 -3.592 -9.068) 14.201 17.573 ( 7.761 0.027 -0.758) 7.798 17.740 ( 3.503 4.344 -2.421) 6.083 18.096 ( 3.737 -2.761 -5.879) 7.493 18.215 ( 1.644 -1.385 11.139) 11.345 18.324 ( -3.061 -5.887 1.674) 6.843 18.678 ( -8.671 -7.730 0.195) 11.618 19.177 ( -6.464 4.845 5.968) 10.043 19.264 ( -3.742 5.931 -3.232) 7.722 19.731 ( 2.168 3.778 6.673) 7.969 19.850 ( 10.539 11.291 -9.258) 18.007 20.394 ( 1.402 0.889 0.785) 1.836 20.500 ( -2.692 1.079 -0.912) 3.040 21.437 ( -2.776 -4.908 -3.365) 6.566 21.525 ( 3.771 -0.011 1.763) 4.163 21.611 ( 0.792 -1.736 0.139) 1.913 21.659 ( 0.413 0.040 0.707) 0.820 21.882 ( -10.328 -0.857 6.130) 12.040 22.146 ( -13.655 -5.347 -13.951) 20.241 ======================= Grid point 140 (70/90) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 6.657 21.038 19.889) 29.706 1.897 ( 0.928 24.088 18.627) 30.464 2.174 ( -3.737 13.994 -19.349) 24.170 2.289 ( -2.289 14.314 -22.623) 26.869 3.270 ( -2.754 9.246 8.164) 12.638 3.335 ( 1.510 7.727 -0.301) 7.879 3.582 ( -5.748 21.678 16.006) 27.553 3.638 ( 6.459 7.277 6.564) 11.737 3.777 ( -7.989 3.208 9.033) 12.478 3.849 ( -0.567 -0.613 -5.733) 5.794 3.952 ( -0.442 -0.265 -6.898) 6.918 3.972 ( 1.594 10.915 -7.393) 13.279 4.174 ( 3.020 0.037 4.214) 5.184 4.290 ( 4.879 -4.521 -3.896) 7.709 4.303 ( 2.235 -5.074 5.427) 7.759 4.478 ( -0.884 0.468 -3.621) 3.757 4.510 ( -1.465 7.424 -4.867) 8.997 4.655 ( -1.593 -9.982 -10.535) 14.600 4.718 ( 0.726 -9.110 4.461) 10.169 4.809 ( -1.129 -9.994 -4.804) 11.146 4.949 ( -1.967 -3.335 2.935) 4.859 5.011 ( 3.720 -0.311 -2.312) 4.391 5.339 ( -3.969 -0.252 -1.595) 4.285 5.396 ( 3.881 1.611 -5.344) 6.798 5.617 ( 0.924 5.332 0.584) 5.443 5.670 ( -1.410 3.767 -4.290) 5.881 5.843 ( 3.508 -4.671 7.168) 9.247 5.950 ( -3.211 -2.138 -3.562) 5.250 6.223 ( -0.700 2.176 1.487) 2.727 6.246 ( -0.756 -0.618 -1.495) 1.786 6.266 ( -3.223 2.951 5.036) 6.667 6.322 ( 6.025 -2.512 0.424) 6.542 6.494 ( -0.239 -1.386 0.275) 1.433 6.544 ( -2.144 -2.780 -4.200) 5.474 6.735 ( 3.826 4.461 2.466) 6.374 6.746 ( -0.222 1.744 1.155) 2.103 6.991 ( -4.832 0.734 5.932) 7.686 7.048 ( 2.180 -0.635 -0.368) 2.300 7.232 ( 0.899 -2.374 2.973) 3.910 7.312 ( -1.840 -1.147 -3.941) 4.498 7.988 ( -0.511 4.473 3.840) 5.917 8.024 ( -0.731 -0.294 2.900) 3.005 8.168 ( -3.238 -0.304 -1.774) 3.705 8.239 ( 1.924 -2.425 -6.522) 7.220 8.513 ( -1.217 1.384 2.618) 3.201 8.571 ( 2.139 1.931 -4.096) 5.008 8.801 ( 1.731 -1.457 8.145) 8.453 8.937 ( -0.686 -3.573 -3.933) 5.358 9.020 ( -2.301 -1.368 9.201) 9.583 9.183 ( 5.750 -2.763 -5.866) 8.667 9.307 ( -2.171 -3.784 -0.894) 4.454 9.342 ( 0.695 -3.756 -3.709) 5.324 9.661 ( 0.943 -1.927 2.124) 3.019 9.684 ( -2.013 -1.587 -0.881) 2.710 9.824 ( -3.499 0.232 3.023) 4.630 9.889 ( 2.304 1.226 -3.535) 4.395 10.372 ( -7.390 4.879 6.093) 10.749 10.412 ( 3.114 6.488 6.519) 9.711 10.478 ( 6.500 3.846 -2.448) 7.939 10.597 ( -3.866 1.697 -8.278) 9.292 10.928 ( 3.736 2.463 6.044) 7.520 11.047 ( -1.801 3.075 -6.575) 7.479 11.895 ( -1.131 -0.466 4.998) 5.146 11.993 ( 1.899 0.739 -5.429) 5.798 12.239 ( 2.805 1.127 10.987) 11.395 12.408 ( -2.059 6.772 -6.678) 9.731 12.467 ( -4.388 9.085 0.042) 10.089 12.489 ( 1.248 1.672 -2.780) 3.475 12.958 ( 4.253 6.052 9.617) 12.133 13.124 ( -2.500 4.695 -8.462) 9.995 13.335 ( 2.197 4.688 2.912) 5.940 13.411 ( -1.819 5.451 -5.297) 7.815 13.884 ( 1.178 3.369 3.674) 5.123 13.932 ( -3.005 2.063 -1.393) 3.902 14.161 ( -5.925 -5.221 5.314) 9.519 14.269 ( 7.860 -2.651 -6.514) 10.547 14.822 ( 1.525 2.753 3.801) 4.935 14.876 ( -7.477 -7.034 -0.154) 10.267 15.034 ( -0.339 3.651 3.088) 4.794 15.139 ( 4.766 1.869 -6.920) 8.608 15.460 ( 2.720 2.679 7.778) 8.664 15.624 ( 1.190 0.175 -8.930) 9.011 15.809 ( 0.347 -1.094 2.889) 3.109 15.889 ( -0.429 -4.100 -4.615) 6.188 16.326 ( -3.884 -2.389 1.583) 4.827 16.369 ( 4.029 -1.163 -3.098) 5.214 16.822 ( 0.953 -5.417 3.226) 6.376 16.864 ( -1.816 -6.184 -0.997) 6.522 17.376 ( 2.021 -3.435 6.863) 7.936 17.485 ( -4.919 -1.115 -3.878) 6.363 17.723 ( -0.841 1.741 7.557) 7.800 17.841 ( 1.124 3.690 -4.163) 5.675 17.977 ( -6.594 -2.152 6.664) 9.619 18.192 ( 3.899 -5.947 -13.207) 15.000 18.320 ( 7.259 -4.161 6.835) 10.804 18.462 ( 0.489 -2.230 -9.181) 9.461 19.268 ( -2.093 8.640 5.812) 10.621 19.364 ( 1.886 8.054 -4.378) 9.359 19.824 ( -6.719 3.198 14.554) 16.346 20.074 ( 4.188 1.374 -13.062) 13.785 20.461 ( -0.994 0.864 0.821) 1.552 20.476 ( 0.557 1.324 -0.743) 1.617 21.386 ( -4.620 -3.987 1.026) 6.188 21.398 ( 2.911 -2.958 0.137) 4.152 21.630 ( 4.694 -1.015 4.564) 6.625 21.678 ( -2.806 0.603 -0.904) 3.009 21.762 ( -5.095 0.914 6.048) 7.961 21.939 ( 3.909 -0.734 -12.018) 12.659 ======================= Grid point 141 (71/90) ======================= q-point: ( 0.14 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 5.720 20.663 10.392) 23.826 2.120 ( 11.201 17.081 0.738) 20.440 2.184 ( 12.878 13.414 -12.246) 22.266 2.340 ( 18.726 17.582 -2.459) 25.804 3.284 ( 2.825 7.599 4.794) 9.418 3.341 ( -6.866 9.256 2.889) 11.882 3.584 ( -1.233 7.771 -2.615) 8.291 3.658 ( -8.738 5.329 10.980) 15.010 3.693 ( -2.366 -2.519 5.231) 6.269 3.814 ( 0.636 9.786 8.626) 13.061 3.926 ( 2.174 3.356 -8.301) 9.214 3.964 ( 0.187 7.944 1.786) 8.144 4.239 ( 2.998 -3.062 -1.066) 4.416 4.309 ( 3.999 9.297 -13.541) 16.905 4.410 ( 2.252 -1.763 3.215) 4.303 4.469 ( 6.546 4.463 -6.022) 9.952 4.499 ( -5.640 -6.166 2.499) 8.722 4.600 ( 2.776 -4.155 -0.290) 5.006 4.752 ( -1.534 -1.729 -0.420) 2.349 4.813 ( 6.233 -11.515 -2.052) 13.254 5.001 ( 3.461 -4.582 0.229) 5.747 5.097 ( 8.054 -5.546 -3.196) 10.288 5.242 ( -5.964 1.463 2.455) 6.614 5.433 ( 2.493 0.337 -4.657) 5.293 5.626 ( -1.443 1.906 -2.881) 3.744 5.649 ( 1.420 6.818 2.087) 7.270 5.850 ( -4.108 -4.102 -3.923) 7.007 5.926 ( 1.155 -1.766 4.211) 4.710 6.152 ( -5.081 1.373 2.170) 5.693 6.181 ( -6.161 -3.121 1.666) 7.105 6.257 ( 0.654 -0.425 -1.714) 1.883 6.373 ( -1.153 5.717 -0.967) 5.912 6.456 ( -2.963 -6.228 -2.603) 7.372 6.543 ( 3.008 4.192 3.445) 6.204 6.777 ( 3.762 -0.654 -1.718) 4.187 6.821 ( 2.663 1.126 -2.865) 4.070 7.006 ( 3.964 2.000 7.380) 8.612 7.085 ( 0.339 -1.452 0.241) 1.510 7.231 ( 2.701 -2.792 0.346) 3.900 7.396 ( 7.692 -0.355 0.700) 7.732 7.996 ( -0.500 3.839 0.782) 3.950 8.034 ( 0.285 4.549 3.850) 5.966 8.123 ( -2.147 -4.316 6.063) 7.745 8.240 ( 1.032 -1.057 -6.235) 6.408 8.488 ( -2.090 1.005 1.041) 2.542 8.568 ( -0.613 2.659 -3.284) 4.269 8.786 ( -3.651 -2.594 -0.612) 4.520 8.871 ( -8.665 -3.249 3.346) 9.840 9.030 ( 1.763 0.240 2.844) 3.354 9.161 ( -3.874 -2.683 -9.381) 10.499 9.270 ( -1.670 -2.548 2.029) 3.661 9.320 ( -1.803 -5.883 -2.219) 6.541 9.635 ( -1.943 1.890 0.702) 2.800 9.672 ( -1.552 -3.337 1.330) 3.913 9.787 ( -0.777 0.013 2.920) 3.022 9.911 ( -0.251 3.224 -1.293) 3.483 10.248 ( -7.687 4.033 5.662) 10.364 10.443 ( -4.362 4.025 -2.969) 6.637 10.510 ( 2.541 5.822 4.401) 7.728 10.635 ( 7.165 1.431 -4.055) 8.357 11.003 ( 4.958 1.320 -2.398) 5.664 11.117 ( 9.432 2.991 -0.554) 9.910 11.857 ( -4.255 -1.181 2.567) 5.108 12.014 ( 2.012 1.692 -4.371) 5.100 12.273 ( -4.815 4.905 -3.628) 7.772 12.340 ( 0.368 -1.085 6.223) 6.327 12.414 ( -2.884 2.384 1.688) 4.105 12.539 ( 3.573 9.577 1.312) 10.305 12.954 ( -6.399 6.639 -4.034) 10.065 13.095 ( 1.825 6.094 1.597) 6.559 13.281 ( -4.470 4.992 -2.295) 7.083 13.425 ( 1.914 4.199 0.236) 4.621 13.819 ( -4.757 3.260 0.296) 5.774 13.902 ( -3.803 3.740 5.633) 7.758 14.071 ( -6.356 -2.962 0.574) 7.036 14.388 ( 8.000 -3.192 -6.527) 10.807 14.576 ( -18.704 2.731 2.897) 19.123 14.876 ( 1.438 -0.491 3.814) 4.105 15.027 ( 4.371 -3.520 -4.322) 7.083 15.296 ( 4.906 0.760 -0.117) 4.966 15.594 ( 6.012 3.526 1.996) 7.250 15.696 ( 11.365 0.575 -6.745) 13.229 15.835 ( 1.686 -1.187 0.400) 2.100 15.912 ( 4.590 -6.280 -3.019) 8.343 16.248 ( -4.645 -3.884 0.959) 6.130 16.429 ( 3.108 -1.506 -1.547) 3.784 16.736 ( -6.984 -2.696 1.147) 7.573 16.866 ( -1.844 -6.655 1.786) 7.133 17.288 ( -15.923 -0.248 4.660) 16.593 17.340 ( -7.819 -2.440 -1.194) 8.278 17.651 ( -5.622 5.973 4.804) 9.506 17.835 ( -1.652 2.503 -5.348) 6.131 17.893 ( -4.199 -0.781 9.888) 10.771 18.238 ( 6.654 -8.416 -7.013) 12.818 18.415 ( 1.867 -0.877 -12.956) 13.120 18.507 ( 6.765 -7.186 1.275) 9.951 19.298 ( 2.418 7.852 3.638) 8.985 19.440 ( 7.059 7.934 -3.135) 11.073 19.712 ( -11.138 4.537 14.078) 18.516 20.027 ( -3.698 2.785 -8.364) 9.560 20.423 ( -1.682 0.778 0.143) 1.859 20.504 ( 0.785 1.492 1.685) 2.384 21.294 ( -0.559 -2.333 2.298) 3.322 21.524 ( 3.551 -1.719 -0.260) 3.954 21.624 ( -0.872 -0.643 -2.471) 2.698 21.660 ( -2.936 0.078 0.294) 2.952 21.820 ( 7.685 -4.738 9.634) 13.203 22.032 ( 9.655 -0.391 -9.342) 13.440 ======================= Grid point 142 (72/90) ======================= q-point: ( 0.29 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 10.314 16.809 1.185) 19.757 2.387 ( 14.483 12.815 -9.175) 21.405 2.435 ( 22.078 14.169 -4.499) 26.617 2.749 ( 15.179 19.645 13.715) 28.362 3.123 ( -15.553 8.722 3.023) 18.086 3.355 ( -15.007 4.497 -2.710) 15.899 3.442 ( 11.270 0.784 -0.147) 11.298 3.539 ( -9.072 2.571 10.305) 13.968 3.754 ( 0.689 1.063 3.912) 4.112 3.916 ( 6.790 -0.225 -2.692) 7.308 3.952 ( 2.301 0.576 -1.463) 2.787 4.060 ( 8.184 11.582 3.896) 14.707 4.235 ( -1.434 2.599 -6.059) 6.747 4.345 ( 4.037 4.018 -6.620) 8.733 4.391 ( -1.838 4.000 4.017) 5.959 4.483 ( 3.810 1.034 -1.010) 4.075 4.548 ( 1.224 -0.964 -7.683) 7.839 4.655 ( 2.137 -1.485 6.034) 6.572 4.768 ( -0.173 1.695 4.660) 4.962 4.887 ( 4.387 -5.164 -4.406) 8.082 5.071 ( 3.346 -0.091 -2.942) 4.457 5.130 ( -2.367 -2.676 -1.101) 3.739 5.265 ( 5.031 -3.816 2.974) 6.980 5.485 ( 6.465 -2.132 -3.065) 7.465 5.594 ( -0.446 -2.282 0.219) 2.335 5.641 ( -6.071 1.636 -0.059) 6.288 5.770 ( -0.201 -2.517 -0.955) 2.699 5.955 ( 0.079 1.005 2.743) 2.922 6.037 ( -4.951 -2.108 -2.931) 6.127 6.120 ( -1.428 2.508 0.530) 2.934 6.232 ( -3.688 -3.719 -4.460) 6.880 6.302 ( -5.345 5.674 1.985) 8.044 6.435 ( 2.384 -4.380 -0.284) 4.994 6.626 ( 3.256 7.047 4.196) 8.824 6.783 ( -2.300 -3.033 -6.732) 7.734 6.874 ( 5.739 -0.204 -0.951) 5.821 7.067 ( -1.074 -1.226 4.260) 4.561 7.161 ( 6.668 -1.307 2.216) 7.147 7.355 ( 8.618 -0.564 1.968) 8.858 7.530 ( 5.521 1.167 -1.101) 5.749 7.972 ( -1.708 -2.100 -1.077) 2.913 8.061 ( -1.338 7.442 5.808) 9.535 8.133 ( -1.429 -1.095 9.675) 9.841 8.225 ( 2.071 -0.725 -5.912) 6.306 8.456 ( -1.508 0.358 -0.978) 1.833 8.516 ( -3.285 3.854 -2.426) 5.615 8.682 ( -8.241 -1.609 0.203) 8.399 8.728 ( -4.612 -0.404 -1.589) 4.895 9.003 ( -4.227 -3.134 -6.732) 8.545 9.068 ( -3.513 -2.409 2.320) 4.851 9.225 ( -0.828 -7.186 -1.467) 7.381 9.288 ( -2.100 1.368 4.180) 4.874 9.595 ( -5.540 -2.587 -2.597) 6.643 9.626 ( -0.537 2.149 0.881) 2.384 9.820 ( 2.349 3.652 -0.592) 4.382 9.870 ( -3.195 2.145 2.823) 4.772 10.159 ( -4.281 3.024 6.796) 8.582 10.357 ( -2.281 3.534 -4.997) 6.531 10.568 ( 1.169 5.390 5.033) 7.466 10.715 ( 3.312 2.270 -4.662) 6.152 11.167 ( 11.695 0.149 1.353) 11.774 11.309 ( 11.330 2.513 -1.585) 11.713 11.772 ( -5.558 -1.181 1.379) 5.847 11.997 ( -1.966 2.547 -4.890) 5.854 12.175 ( -2.577 2.282 -4.523) 5.684 12.326 ( -8.045 -4.453 5.311) 10.619 12.382 ( 0.977 7.585 2.225) 7.965 12.605 ( 1.065 8.480 2.714) 8.967 12.827 ( -2.814 7.800 -2.875) 8.776 13.113 ( -1.550 6.005 1.501) 6.381 13.219 ( 0.608 4.163 -3.764) 5.645 13.443 ( -0.563 1.983 1.094) 2.334 13.776 ( -0.043 6.033 0.495) 6.054 13.818 ( -7.278 1.101 5.967) 9.476 13.942 ( -5.769 0.059 -3.187) 6.591 14.249 ( -14.146 5.906 -0.907) 15.356 14.537 ( 7.109 -3.567 0.585) 7.975 14.912 ( 0.955 -2.968 0.089) 3.119 15.109 ( 5.716 -4.142 -3.915) 8.072 15.338 ( 0.489 0.765 -0.757) 1.182 15.709 ( 7.414 -0.413 -3.791) 8.337 15.851 ( 3.917 -1.244 5.161) 6.598 15.931 ( 8.278 5.616 -2.862) 10.405 15.970 ( 1.661 -5.128 -2.631) 5.999 16.196 ( 0.089 -5.258 1.085) 5.370 16.431 ( -4.050 -5.005 1.460) 6.602 16.656 ( -1.343 3.355 -0.854) 3.713 16.772 ( -9.401 -6.610 5.471) 12.728 16.971 ( -14.966 3.413 0.302) 15.353 17.174 ( -7.421 -2.774 -4.882) 9.306 17.598 ( -2.547 4.593 4.444) 6.880 17.764 ( -2.548 1.477 -4.222) 5.148 17.895 ( -1.649 0.645 10.802) 10.946 18.340 ( 2.638 -1.729 -12.276) 12.675 18.384 ( 6.829 -7.304 -8.679) 13.240 18.604 ( 1.484 -8.775 3.213) 9.462 19.364 ( 2.557 6.776 1.980) 7.508 19.524 ( -2.305 7.758 1.831) 8.298 19.609 ( -0.637 5.257 6.868) 8.672 19.895 ( -6.050 6.154 -3.369) 9.264 20.416 ( 1.119 0.041 -0.252) 1.148 20.515 ( -0.924 0.637 2.848) 3.061 21.356 ( 4.017 -3.094 3.765) 6.316 21.519 ( -1.153 1.150 -2.051) 2.619 21.590 ( -2.611 1.117 0.216) 2.848 21.650 ( 1.802 -4.900 -3.595) 6.339 22.012 ( 6.443 -6.548 9.437) 13.170 22.169 ( 8.672 -2.122 -7.988) 11.980 ======================= Grid point 143 (73/90) ======================= q-point: ( 0.43 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 11.347 13.576 3.444) 18.026 2.591 ( 7.597 11.925 -7.847) 16.171 2.763 ( 2.320 8.248 -3.218) 9.152 2.855 ( -1.523 15.282 1.590) 15.439 3.001 ( 4.566 12.491 7.093) 15.073 3.107 ( -7.295 13.519 9.428) 18.024 3.435 ( -4.438 4.619 5.351) 8.346 3.582 ( -0.947 -0.941 -5.115) 5.286 3.789 ( 6.858 -1.325 0.077) 6.985 3.955 ( -1.597 -6.026 4.823) 7.882 4.057 ( -5.595 4.672 -5.645) 9.220 4.094 ( 9.456 1.848 -4.411) 10.596 4.235 ( -0.512 5.069 -0.169) 5.098 4.370 ( -0.883 -1.278 -3.120) 3.485 4.405 ( 4.365 0.553 -4.878) 6.569 4.519 ( -4.557 0.810 -3.958) 6.090 4.578 ( 6.205 -2.714 4.487) 8.124 4.688 ( -6.230 6.099 6.693) 10.991 4.768 ( 7.310 5.369 5.698) 10.711 4.955 ( 1.424 1.331 3.233) 3.775 5.064 ( 1.105 5.684 5.857) 8.236 5.210 ( 7.564 -6.606 -13.083) 16.493 5.272 ( -4.441 -4.077 -4.480) 7.511 5.409 ( -7.113 0.669 -7.132) 10.095 5.602 ( 3.287 0.886 4.275) 5.465 5.746 ( 11.195 -10.240 4.996) 15.973 5.790 ( -2.745 0.343 2.687) 3.856 5.868 ( -2.705 -4.340 -0.650) 5.155 6.062 ( -3.084 4.036 -0.924) 5.163 6.088 ( -6.695 -2.438 0.438) 7.138 6.103 ( 5.746 5.014 -6.483) 10.009 6.214 ( -4.504 3.255 -3.039) 6.334 6.489 ( 2.022 -1.228 1.948) 3.064 6.625 ( -4.307 0.446 -2.842) 5.180 6.795 ( 5.833 -2.766 2.536) 6.936 6.944 ( 0.984 -1.762 -2.489) 3.204 7.095 ( 2.261 -0.418 5.606) 6.059 7.229 ( -1.696 -1.811 1.782) 3.055 7.511 ( 4.709 1.394 2.522) 5.520 7.591 ( 3.459 3.841 -5.161) 7.304 7.933 ( -2.362 -4.716 2.374) 5.784 7.992 ( -4.590 2.933 -0.040) 5.448 8.192 ( 2.186 2.005 8.956) 9.434 8.297 ( 6.768 -1.538 -2.576) 7.403 8.399 ( -5.829 1.484 0.251) 6.020 8.430 ( -2.201 5.221 -4.352) 7.145 8.572 ( -2.805 0.026 -0.230) 2.815 8.627 ( -4.230 0.793 -2.986) 5.239 8.951 ( 1.575 -2.858 -3.437) 4.739 8.978 ( -5.503 -0.812 1.733) 5.827 9.257 ( 1.735 -1.714 3.917) 4.614 9.300 ( 1.757 -2.037 4.608) 5.336 9.483 ( -3.575 -2.521 -3.075) 5.347 9.573 ( -4.356 -1.707 -4.053) 6.189 9.826 ( 0.102 3.804 2.490) 4.548 9.867 ( 0.115 5.046 0.180) 5.051 10.158 ( -0.155 3.116 7.116) 7.770 10.313 ( 0.055 2.232 -5.382) 5.827 10.605 ( -0.334 5.480 5.528) 7.791 10.724 ( 1.405 3.754 -6.300) 7.467 11.386 ( 8.584 0.335 4.000) 9.476 11.502 ( 7.496 2.051 -2.656) 8.213 11.692 ( -1.371 -0.392 2.569) 2.938 11.898 ( -5.819 0.106 -6.094) 8.427 12.128 ( -2.329 2.162 -0.247) 3.188 12.170 ( -6.394 -1.446 -0.256) 6.561 12.437 ( 3.525 6.980 2.905) 8.341 12.573 ( -3.759 9.440 -1.471) 10.266 12.849 ( 2.465 5.090 5.527) 7.908 13.049 ( -2.895 7.202 -4.547) 8.996 13.293 ( 7.359 2.158 -1.820) 7.882 13.397 ( -5.464 0.183 1.383) 5.639 13.710 ( -3.848 -0.281 5.064) 6.366 13.817 ( -1.574 4.479 -1.352) 4.936 13.867 ( 3.372 4.424 -1.436) 5.745 14.024 ( -9.124 6.984 -1.319) 11.566 14.665 ( 4.996 -3.490 4.413) 7.524 14.901 ( -0.657 -5.313 -6.808) 8.661 15.189 ( 3.295 -2.177 0.707) 4.012 15.318 ( -1.168 0.573 -3.584) 3.813 15.821 ( 5.599 -5.142 -2.669) 8.056 15.878 ( -4.360 -6.831 1.963) 8.338 16.001 ( 4.443 3.246 0.566) 5.531 16.043 ( 3.352 4.545 0.106) 5.649 16.258 ( 4.112 -0.058 0.837) 4.197 16.332 ( -6.307 -0.809 3.353) 7.188 16.526 ( -6.715 0.413 4.677) 8.193 16.707 ( -6.165 -0.527 3.441) 7.080 16.817 ( 0.082 -0.605 -0.990) 1.163 17.048 ( -0.533 -4.506 -12.067) 12.892 17.594 ( -0.322 2.919 4.404) 5.293 17.706 ( -1.258 1.642 -4.578) 5.024 17.930 ( -0.629 0.860 12.849) 12.894 18.269 ( -0.413 0.986 -15.734) 15.770 18.528 ( 8.678 -9.122 -3.940) 13.192 18.581 ( -5.682 -9.402 4.304) 11.798 19.382 ( -4.249 5.859 8.791) 11.387 19.477 ( 1.956 6.898 -3.860) 8.143 19.678 ( 2.084 7.430 3.877) 8.636 19.798 ( -2.106 7.184 -3.453) 8.244 20.458 ( 2.980 -0.930 0.040) 3.122 20.491 ( -2.996 -0.303 2.701) 4.045 21.431 ( 0.717 -1.309 5.240) 5.448 21.504 ( 0.826 1.527 -1.975) 2.629 21.561 ( -0.032 -1.728 0.025) 1.729 21.645 ( -0.419 -4.663 -4.811) 6.713 22.125 ( 0.773 -5.771 8.324) 10.158 22.262 ( 4.956 -3.866 -7.539) 9.816 ======================= Grid point 144 (74/90) ======================= q-point: (-0.43 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -18.214 14.503 8.183) 24.679 2.539 ( -14.549 14.414 -1.415) 20.529 2.734 ( -2.622 8.925 1.544) 9.429 2.858 ( 9.311 11.871 0.491) 15.095 3.114 ( 5.977 11.763 -5.313) 14.224 3.261 ( 8.511 8.657 -4.560) 12.968 3.457 ( 3.257 4.877 7.072) 9.187 3.510 ( 1.609 5.283 -2.771) 6.179 3.779 ( -10.108 -1.181 2.708) 10.531 3.939 ( -1.532 6.154 1.640) 6.551 4.001 ( -1.377 -5.220 4.451) 6.997 4.065 ( -9.739 12.039 3.922) 15.974 4.215 ( -0.546 -1.414 -7.148) 7.307 4.343 ( -3.258 -1.355 0.301) 3.541 4.392 ( 1.680 1.151 -4.445) 4.889 4.530 ( 4.670 -2.615 -4.106) 6.746 4.544 ( -4.424 -1.785 5.812) 7.519 4.742 ( 6.877 -4.832 3.882) 9.258 4.871 ( -9.791 6.985 -2.864) 12.364 4.964 ( -7.473 -4.188 7.223) 11.206 5.077 ( 10.720 5.402 -2.492) 12.260 5.151 ( -5.392 -0.996 -0.636) 5.520 5.310 ( 8.004 -1.109 -10.805) 13.493 5.365 ( 5.966 1.850 -5.880) 8.578 5.638 ( -8.486 1.293 -0.111) 8.585 5.743 ( 6.882 -3.730 8.345) 11.442 5.839 ( -6.735 -7.669 -5.217) 11.463 5.916 ( 0.370 -2.328 -1.690) 2.900 5.951 ( -2.555 0.668 3.431) 4.329 6.044 ( 3.634 2.366 2.142) 4.837 6.127 ( -0.589 0.710 -2.840) 2.986 6.238 ( 8.197 3.501 -4.266) 9.882 6.520 ( -0.853 0.116 1.554) 1.776 6.568 ( 1.455 0.509 -0.566) 1.642 6.852 ( -7.248 -2.610 -1.431) 7.835 6.886 ( -0.932 -1.819 2.026) 2.878 7.116 ( -4.861 -3.805 3.096) 6.906 7.224 ( 3.104 2.301 3.301) 5.082 7.507 ( -5.757 2.181 1.395) 6.312 7.587 ( -2.480 2.031 -3.832) 4.995 7.927 ( 1.018 -2.523 2.678) 3.818 7.996 ( 5.453 -1.205 -0.265) 5.591 8.247 ( -8.025 0.318 1.577) 8.185 8.277 ( 2.664 2.738 7.449) 8.371 8.376 ( 1.159 0.834 -7.743) 7.874 8.459 ( 5.678 1.196 -3.250) 6.651 8.562 ( 2.054 2.267 0.972) 3.210 8.591 ( 2.371 2.149 0.674) 3.270 8.893 ( -3.664 -2.220 1.853) 4.668 9.022 ( 6.246 -0.585 -2.567) 6.778 9.293 ( -2.770 -1.421 1.341) 3.390 9.348 ( 3.921 -0.303 2.241) 4.526 9.427 ( -2.548 -3.024 0.280) 3.964 9.542 ( 4.839 -3.993 -2.139) 6.629 9.852 ( 0.122 4.229 0.688) 4.286 9.866 ( 1.271 4.115 -0.242) 4.313 10.187 ( -0.432 3.577 6.932) 7.812 10.296 ( 0.815 2.225 -6.444) 6.866 10.586 ( -3.833 5.870 5.927) 9.180 10.744 ( 3.373 3.495 -6.557) 8.160 11.420 ( -6.448 1.736 1.568) 6.859 11.529 ( -3.980 -0.587 -6.575) 7.708 11.696 ( -2.496 -2.092 3.153) 4.533 11.854 ( 7.284 2.105 -2.742) 8.062 12.040 ( -3.786 0.536 6.527) 7.565 12.209 ( 7.232 1.926 -1.916) 7.725 12.487 ( -3.073 10.335 -2.057) 10.977 12.536 ( 4.688 6.517 1.804) 8.228 12.870 ( -4.364 5.681 4.914) 8.687 13.045 ( 6.174 5.152 -5.657) 9.832 13.264 ( -7.510 1.046 1.098) 7.661 13.426 ( 5.802 1.547 -1.418) 6.170 13.729 ( 1.949 -0.979 5.852) 6.245 13.786 ( 1.436 -1.018 -1.540) 2.339 13.868 ( -4.129 8.644 -0.784) 9.612 14.017 ( 9.216 9.450 -0.816) 13.225 14.762 ( 2.236 -4.864 5.323) 7.549 14.818 ( -3.232 -4.832 -10.142) 11.690 15.197 ( -4.179 -1.324 2.425) 5.010 15.304 ( 2.505 0.396 -3.565) 4.375 15.765 ( -7.807 -4.103 2.915) 9.288 15.899 ( 2.158 -4.628 -0.479) 5.128 15.997 ( -6.046 3.515 1.539) 7.161 16.034 ( -2.775 1.022 0.554) 3.009 16.261 ( 2.146 -1.781 -0.611) 2.854 16.434 ( 5.603 0.999 -5.407) 7.850 16.473 ( 0.527 2.593 8.911) 9.295 16.684 ( 4.125 -0.175 6.701) 7.871 16.804 ( -0.741 -4.777 -1.869) 5.183 17.082 ( 9.759 -2.338 -13.253) 16.623 17.612 ( -0.491 1.794 3.725) 4.164 17.690 ( 2.455 2.540 -4.366) 5.616 17.991 ( 0.152 0.225 14.143) 14.146 18.186 ( -0.918 1.072 -13.720) 13.792 18.456 ( -8.669 -8.704 3.273) 12.713 18.637 ( 3.694 -8.519 -2.096) 9.519 19.344 ( -3.210 5.268 8.386) 10.411 19.531 ( 4.690 7.733 -5.228) 10.446 19.678 ( -3.170 6.171 3.715) 7.870 19.813 ( 5.169 7.863 -4.544) 10.450 20.436 ( -3.549 -0.408 2.300) 4.249 20.513 ( 2.373 -1.231 0.344) 2.695 21.434 ( -2.033 0.054 4.434) 4.878 21.528 ( 2.420 0.965 -2.339) 3.501 21.562 ( -2.232 -5.276 -0.437) 5.746 21.609 ( 0.549 -2.415 -2.403) 3.450 22.121 ( -4.879 -3.239 7.511) 9.524 22.278 ( 0.490 -6.352 -8.005) 10.231 ======================= Grid point 145 (75/90) ======================= q-point: (-0.29 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -16.913 18.386 12.374) 27.878 2.158 ( -23.387 18.655 6.321) 30.577 2.581 ( -8.912 10.070 -9.778) 16.626 3.014 ( -12.426 13.776 -12.790) 22.534 3.129 ( 10.502 7.888 3.460) 13.583 3.337 ( 10.262 8.181 -3.741) 13.647 3.419 ( -7.575 -0.055 1.682) 7.760 3.701 ( 12.178 4.758 -3.677) 13.581 3.747 ( -6.412 12.350 11.404) 17.992 3.792 ( -2.508 11.111 7.300) 13.529 3.892 ( -6.809 0.138 1.722) 7.024 4.058 ( 0.024 0.746 3.858) 3.929 4.154 ( -0.588 -1.803 0.519) 1.967 4.233 ( -8.115 1.728 -0.360) 8.305 4.452 ( -0.999 -0.632 0.503) 1.285 4.490 ( -0.006 1.374 -3.831) 4.070 4.556 ( -2.873 -7.398 -5.937) 9.911 4.704 ( 2.597 5.962 0.506) 6.523 4.805 ( -5.136 -9.381 4.084) 11.448 4.919 ( -0.611 -6.512 2.312) 6.937 4.996 ( -6.599 -0.303 -8.478) 10.747 5.218 ( 7.216 4.237 -7.259) 11.078 5.344 ( -3.387 -1.852 -4.907) 6.243 5.453 ( -1.205 4.795 -1.835) 5.274 5.584 ( 6.023 -3.091 3.970) 7.848 5.675 ( -4.458 -1.926 -6.803) 8.359 5.807 ( -4.721 -1.009 -2.766) 5.564 5.922 ( 6.981 -2.581 6.844) 10.112 5.977 ( 1.087 -4.054 1.379) 4.418 6.099 ( 3.595 4.176 2.839) 6.198 6.202 ( 4.520 -0.976 -0.682) 4.674 6.352 ( 5.648 -0.156 -2.643) 6.237 6.473 ( -3.453 1.741 -4.122) 5.652 6.637 ( 0.027 -0.787 8.182) 8.220 6.695 ( -2.913 4.249 -2.808) 5.867 6.842 ( -4.878 -0.825 2.139) 5.390 7.062 ( -2.141 -5.201 2.204) 6.041 7.212 ( -5.648 3.874 0.388) 6.859 7.349 ( -10.013 0.149 1.144) 10.079 7.524 ( -2.931 -1.353 0.073) 3.229 7.969 ( 1.880 -3.744 -0.053) 4.190 8.100 ( -2.958 2.003 5.963) 6.951 8.156 ( 4.198 1.520 -4.222) 6.144 8.315 ( -1.690 -0.990 -5.368) 5.714 8.387 ( 5.124 2.555 1.889) 6.029 8.504 ( 0.961 1.254 0.239) 1.598 8.644 ( 3.972 1.219 2.966) 5.105 8.729 ( 10.676 1.688 -1.612) 10.928 8.867 ( -0.319 -5.240 6.178) 8.107 9.122 ( 3.554 -0.033 -2.891) 4.582 9.229 ( -0.608 -5.440 -0.754) 5.526 9.383 ( 1.586 -0.278 -5.529) 5.759 9.507 ( 6.255 -0.041 6.089) 8.729 9.633 ( 4.337 -1.659 -0.082) 4.644 9.816 ( -2.676 3.403 -0.554) 4.364 9.915 ( 2.574 1.108 -0.917) 2.948 10.229 ( 1.479 5.046 7.518) 9.174 10.293 ( 3.203 2.097 -6.359) 7.423 10.547 ( -3.388 6.170 5.225) 8.766 10.753 ( 0.397 1.937 -6.110) 6.422 11.231 ( -15.720 -2.783 -6.192) 17.123 11.296 ( -9.118 3.055 0.503) 9.630 11.766 ( 4.599 -0.797 2.124) 5.128 11.954 ( 3.985 3.805 -0.802) 5.568 12.064 ( 1.211 1.200 7.281) 7.478 12.364 ( 7.467 1.119 0.039) 7.550 12.443 ( 0.753 10.144 -3.014) 10.609 12.623 ( 2.827 7.905 0.918) 8.445 12.784 ( -4.882 4.814 1.792) 7.087 13.157 ( 5.883 4.832 -1.350) 7.732 13.176 ( -0.719 2.527 -1.562) 3.057 13.475 ( 0.895 2.127 -2.210) 3.195 13.769 ( -1.182 4.536 1.268) 4.856 13.820 ( 4.080 -0.446 6.235) 7.464 13.936 ( 9.803 -0.241 -2.776) 10.191 14.224 ( 12.266 10.126 0.955) 15.935 14.642 ( -7.359 -4.131 -9.715) 12.868 14.853 ( 2.727 -3.979 4.376) 6.513 15.097 ( -6.183 -2.241 -0.365) 6.587 15.336 ( 1.053 0.511 -0.688) 1.358 15.614 ( -9.969 1.535 4.911) 11.218 15.827 ( -7.950 -4.043 4.895) 10.174 15.938 ( -2.962 5.420 -3.532) 7.115 15.988 ( -1.819 -3.201 -1.395) 3.937 16.262 ( 0.025 -1.097 -5.789) 5.892 16.406 ( 0.135 -4.695 3.903) 6.107 16.634 ( 3.390 -0.716 3.472) 4.906 16.798 ( 6.326 -7.380 1.093) 9.781 16.937 ( 14.632 2.433 0.816) 14.855 17.249 ( 13.798 -0.429 -9.380) 16.690 17.613 ( -0.746 2.152 2.890) 3.680 17.750 ( 5.305 3.400 -3.591) 7.252 18.058 ( -0.385 -1.156 9.612) 9.689 18.115 ( -0.937 -0.584 -2.964) 3.163 18.315 ( -6.123 -6.328 -2.279) 9.096 18.635 ( -2.977 -7.304 -0.686) 7.917 19.334 ( -1.991 5.586 5.315) 7.964 19.531 ( -4.453 9.619 -0.400) 10.607 19.691 ( 4.743 2.415 0.564) 5.353 19.912 ( 7.440 7.566 -5.525) 11.964 20.398 ( -1.051 0.468 1.674) 2.031 20.539 ( 0.049 -0.633 0.321) 0.711 21.398 ( -4.140 -4.498 1.185) 6.227 21.497 ( -0.734 -0.837 -1.244) 1.670 21.567 ( 0.338 -1.383 1.599) 2.140 21.631 ( 2.205 -0.514 -0.980) 2.467 22.027 ( -8.549 -0.860 7.109) 11.152 22.197 ( -4.678 -8.106 -9.913) 13.633 ======================= Grid point 146 (76/90) ======================= q-point: (-0.14 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -15.257 19.247 17.434) 30.119 1.890 ( -8.400 24.854 13.201) 29.369 2.371 ( -6.599 12.129 -16.405) 21.443 2.595 ( -18.377 13.563 -17.768) 28.937 3.286 ( -4.129 4.635 2.305) 6.621 3.357 ( 4.511 9.081 3.305) 10.665 3.470 ( 2.281 11.029 8.177) 13.918 3.621 ( -6.268 24.172 15.562) 29.424 3.806 ( 0.643 -4.800 -0.283) 4.851 3.863 ( 4.697 1.865 -7.196) 8.794 3.910 ( 6.244 -1.449 -5.559) 8.485 4.034 ( -4.609 5.007 3.054) 7.460 4.111 ( -2.424 5.338 3.264) 6.710 4.211 ( 3.256 -1.232 4.468) 5.664 4.308 ( -4.499 -3.027 0.190) 5.426 4.510 ( -1.774 -2.695 -3.996) 5.136 4.581 ( 4.455 7.069 -3.815) 9.186 4.683 ( -4.133 -9.621 0.035) 10.471 4.730 ( -1.712 -6.374 -7.722) 10.158 4.873 ( -4.299 -8.793 0.008) 9.787 4.932 ( 3.301 -2.199 -1.220) 4.150 5.136 ( -12.823 -4.414 -4.463) 14.277 5.316 ( 5.888 4.788 -4.673) 8.912 5.413 ( -1.395 2.434 -3.548) 4.523 5.616 ( -0.349 0.471 -2.506) 2.574 5.714 ( 1.349 3.267 -2.525) 4.344 5.740 ( 1.155 -3.551 5.338) 6.514 5.989 ( 0.488 -3.788 -1.087) 3.971 6.114 ( 8.422 -3.289 6.241) 10.986 6.193 ( 4.839 3.711 -0.218) 6.102 6.250 ( 1.332 -1.049 0.707) 1.837 6.357 ( -5.302 -1.073 -1.029) 5.506 6.449 ( 4.796 0.823 -2.354) 5.405 6.601 ( -2.232 2.998 -0.981) 3.864 6.714 ( -1.317 0.146 4.221) 4.424 6.764 ( -3.195 2.910 2.935) 5.224 7.039 ( -1.670 -3.748 1.690) 4.438 7.089 ( -6.634 2.610 2.530) 7.564 7.218 ( -2.842 -1.014 -0.157) 3.021 7.432 ( -6.673 -1.703 -1.100) 6.974 7.988 ( 0.579 -3.371 -1.867) 3.897 8.039 ( -3.618 3.723 5.723) 7.727 8.217 ( 1.662 3.688 -4.771) 6.255 8.254 ( -1.467 -4.168 -5.513) 7.065 8.500 ( 3.168 3.789 3.150) 5.858 8.520 ( 2.512 0.077 -1.253) 2.808 8.720 ( 2.607 0.638 4.055) 4.863 8.886 ( 4.730 -5.269 5.734) 9.111 8.982 ( 7.013 -2.854 5.024) 9.087 9.105 ( -0.097 -1.394 -4.235) 4.460 9.284 ( 4.051 -4.491 -1.257) 6.177 9.373 ( -0.295 -0.243 -5.194) 5.208 9.621 ( 2.719 -0.007 2.700) 3.832 9.688 ( 1.926 -2.805 -0.886) 3.516 9.808 ( 2.123 0.736 0.247) 2.260 9.920 ( -1.460 1.021 -1.748) 2.496 10.309 ( 2.798 5.777 9.032) 11.080 10.363 ( 6.089 2.267 -5.079) 8.247 10.490 ( -5.233 6.486 3.710) 9.122 10.703 ( -2.294 0.806 -7.034) 7.442 10.945 ( -9.971 1.590 1.776) 10.252 11.153 ( -6.110 2.742 -2.920) 7.306 11.852 ( 2.944 -0.449 3.505) 4.599 11.994 ( 1.070 2.736 -2.878) 4.113 12.136 ( 2.650 1.464 8.905) 9.405 12.414 ( 1.314 12.801 -2.023) 13.026 12.491 ( 2.173 -3.213 -3.889) 5.493 12.587 ( -5.327 7.423 -3.818) 9.902 12.810 ( 4.882 7.392 9.286) 12.834 13.178 ( 0.659 3.909 -4.527) 6.017 13.249 ( 4.673 4.055 -0.100) 6.188 13.462 ( -0.703 4.119 -3.409) 5.393 13.806 ( 4.016 2.480 1.583) 4.978 13.922 ( 3.298 0.562 3.715) 4.999 14.114 ( 9.519 -2.522 -2.484) 10.156 14.317 ( -7.632 -0.154 -0.292) 7.639 14.629 ( 14.191 4.047 -2.726) 15.006 14.915 ( 2.981 -0.243 1.045) 3.168 14.981 ( -5.483 -4.621 -0.363) 7.180 15.308 ( -5.635 0.711 -1.330) 5.833 15.461 ( -7.846 3.488 8.215) 11.883 15.702 ( -6.746 -3.045 1.181) 7.495 15.833 ( -3.369 4.253 -4.048) 6.769 15.939 ( -2.345 -4.109 -2.724) 5.459 16.292 ( 4.740 -2.141 -4.002) 6.562 16.393 ( -3.103 -2.365 2.246) 4.502 16.728 ( 5.390 -6.242 3.001) 8.777 16.884 ( 1.882 -5.563 -1.037) 5.963 17.215 ( 11.444 -1.016 4.575) 12.367 17.488 ( 12.324 -2.310 -8.751) 15.290 17.620 ( 0.626 3.856 7.236) 8.223 17.829 ( 3.892 4.033 -3.852) 6.801 18.030 ( -2.129 -3.365 0.948) 4.093 18.176 ( 2.373 -2.174 11.799) 12.230 18.219 ( -0.373 -3.902 -10.642) 11.341 18.542 ( -5.286 -5.171 -2.090) 7.684 19.304 ( -3.479 7.065 4.488) 9.065 19.419 ( -5.314 8.585 -1.863) 10.267 19.799 ( 3.181 2.237 7.142) 8.132 20.018 ( 7.113 4.494 -9.694) 12.836 20.419 ( 2.393 1.428 0.529) 2.837 20.518 ( -2.224 0.259 0.085) 2.241 21.329 ( -0.977 -4.678 -1.127) 4.910 21.524 ( -0.386 -1.205 -0.376) 1.320 21.542 ( -1.517 -3.260 5.219) 6.337 21.680 ( 2.762 1.531 -1.094) 3.342 21.880 ( -10.139 0.550 6.892) 12.272 22.030 ( -5.877 -5.399 -12.506) 14.835 ======================= Grid point 147 (77/90) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 6.725 19.764 14.049) 25.164 2.435 ( 0.847 26.672 7.624) 27.753 2.486 ( -6.225 15.310 -11.184) 19.956 2.638 ( -1.006 18.434 -13.419) 22.823 3.363 ( 4.826 2.263 5.457) 7.628 3.457 ( -5.020 3.391 -5.018) 7.867 3.569 ( -0.809 -4.479 3.509) 5.747 3.667 ( 1.124 -8.406 -5.823) 10.287 3.731 ( -4.440 -3.846 3.586) 6.882 3.818 ( 5.414 -10.199 -3.692) 12.123 4.043 ( -7.448 -3.786 0.212) 8.358 4.076 ( 2.696 -3.369 -4.162) 5.994 4.159 ( -0.347 1.544 7.487) 7.652 4.241 ( 3.426 -2.257 1.661) 4.426 4.312 ( 1.343 6.494 7.432) 9.960 4.431 ( 1.304 -7.417 -1.448) 7.669 4.534 ( -2.500 -1.999 7.815) 8.445 4.662 ( 1.909 -2.478 -5.466) 6.298 4.707 ( -1.758 16.597 5.839) 17.682 4.812 ( -0.044 6.702 -1.933) 6.975 4.927 ( -0.128 1.392 -1.279) 1.894 5.086 ( -0.684 11.750 -13.975) 18.271 5.288 ( -1.119 0.359 4.737) 4.880 5.424 ( 1.045 1.705 -7.201) 7.473 5.638 ( -1.312 -14.122 5.321) 15.148 5.743 ( 3.142 -7.545 -3.991) 9.095 5.823 ( 0.101 9.159 2.035) 9.383 5.883 ( 0.868 9.046 -5.170) 10.455 6.115 ( 3.492 -4.389 1.478) 5.800 6.171 ( -3.170 -1.566 -4.126) 5.433 6.319 ( -4.717 1.672 5.800) 7.660 6.384 ( 6.854 1.857 -0.769) 7.142 6.521 ( 0.614 2.263 0.088) 2.346 6.535 ( -4.381 0.491 -1.347) 4.609 6.807 ( 1.153 2.363 3.723) 4.558 6.858 ( 0.126 3.971 -1.573) 4.273 7.027 ( -4.062 0.358 3.795) 5.570 7.054 ( 4.640 1.603 0.949) 5.000 7.189 ( -3.912 0.763 5.686) 6.944 7.309 ( 1.170 2.216 -4.578) 5.218 7.933 ( 2.279 -4.938 5.466) 7.711 8.050 ( -3.143 -4.633 -5.206) 7.645 8.168 ( 0.439 4.566 5.554) 7.203 8.277 ( -0.151 3.115 -4.994) 5.887 8.520 ( -0.925 -1.757 4.110) 4.565 8.610 ( 1.216 1.842 -4.924) 5.396 8.691 ( -2.903 -9.320 6.697) 11.838 8.764 ( 2.946 -9.281 -0.521) 9.752 9.020 ( 0.786 -0.275 3.337) 3.439 9.114 ( 2.380 -1.626 -5.066) 5.828 9.225 ( -0.223 -3.352 1.251) 3.585 9.309 ( -2.176 -0.805 -6.655) 7.048 9.622 ( -0.480 -1.707 2.014) 2.684 9.641 ( 0.476 -2.209 -0.620) 2.343 9.839 ( -4.595 1.278 4.984) 6.899 9.935 ( 4.928 2.988 -5.072) 7.677 10.423 ( -4.501 -0.005 5.509) 7.114 10.515 ( 6.597 0.621 -3.882) 7.680 10.561 ( 0.178 5.193 2.972) 5.986 10.631 ( -3.196 2.653 -3.590) 5.490 10.987 ( 1.919 3.249 5.613) 6.763 11.099 ( -1.629 1.703 -6.041) 6.484 11.890 ( -2.350 0.032 3.839) 4.501 11.986 ( 2.407 -0.828 -6.397) 6.885 12.214 ( 1.824 -1.848 7.337) 7.783 12.339 ( -2.233 -5.337 -6.249) 8.516 12.728 ( -4.688 13.155 1.596) 14.056 12.753 ( 2.672 13.947 -1.040) 14.239 13.069 ( 1.184 3.806 7.253) 8.276 13.191 ( 1.420 1.680 -5.922) 6.318 13.436 ( 1.375 4.705 1.655) 5.173 13.495 ( -0.776 2.408 -4.535) 5.193 13.976 ( 3.438 1.933 5.066) 6.420 14.020 ( -0.927 8.920 4.806) 10.174 14.067 ( -7.558 -2.907 4.122) 9.086 14.250 ( 4.852 1.505 -11.441) 12.518 14.707 ( -8.313 -8.455 2.592) 12.137 14.753 ( 5.854 -6.501 -2.498) 9.098 15.181 ( 0.608 7.871 1.603) 8.055 15.227 ( 2.414 4.150 -3.401) 5.884 15.459 ( -0.512 -1.708 7.305) 7.519 15.563 ( 0.837 -3.613 -3.130) 4.853 15.830 ( 1.810 1.252 1.298) 2.556 15.890 ( -3.042 3.609 -5.050) 6.912 16.279 ( -5.378 -1.577 3.118) 6.413 16.344 ( 5.031 -1.024 -3.618) 6.281 16.685 ( 3.465 -7.942 1.686) 8.828 16.708 ( -2.276 -7.682 -1.428) 8.138 17.316 ( 1.652 -2.263 8.347) 8.804 17.455 ( -4.782 -1.396 -5.804) 7.649 17.777 ( 0.156 2.430 11.540) 11.794 17.887 ( -1.626 0.692 3.344) 3.782 17.975 ( -2.564 1.640 -3.120) 4.358 18.094 ( 0.099 -3.583 -10.579) 11.169 18.246 ( 5.860 -2.962 6.727) 9.400 18.431 ( 2.635 -0.822 -13.525) 13.804 19.446 ( -1.639 8.144 5.483) 9.954 19.534 ( 1.644 8.031 -3.917) 9.085 19.852 ( -4.778 -0.218 12.147) 13.055 20.056 ( 2.321 -2.456 -10.334) 10.873 20.468 ( -2.157 -0.218 1.436) 2.601 20.487 ( 2.076 -0.111 -0.572) 2.156 21.304 ( -2.299 -3.565 2.082) 4.726 21.348 ( 2.678 -1.845 -2.525) 4.117 21.616 ( 4.375 -0.413 4.638) 6.389 21.682 ( -3.602 -0.131 -2.504) 4.389 21.787 ( -6.903 1.242 5.672) 9.020 21.919 ( 5.804 -0.944 -8.290) 10.164 ======================= Grid point 148 (78/90) ======================= q-point: ( 0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 4.541 18.487 0.027) 19.037 2.452 ( 9.613 16.027 -8.798) 20.656 2.553 ( 7.464 21.397 9.098) 24.420 2.746 ( 18.694 20.263 -2.184) 27.656 3.351 ( -1.713 0.506 -1.791) 2.530 3.447 ( -7.911 0.774 4.847) 9.310 3.564 ( -4.898 -5.050 -5.559) 8.967 3.614 ( 6.848 -2.418 1.870) 7.499 3.697 ( 0.230 -5.459 2.156) 5.874 3.884 ( -2.069 0.597 -1.655) 2.716 3.908 ( -3.417 -1.278 2.276) 4.300 4.119 ( 2.549 -4.856 0.959) 5.568 4.173 ( -0.156 -5.197 0.581) 5.232 4.315 ( 2.103 3.553 -0.156) 4.131 4.379 ( 3.428 -4.088 0.163) 5.337 4.472 ( 4.242 -1.488 -1.880) 4.873 4.542 ( 1.203 -3.392 2.355) 4.301 4.661 ( 0.137 2.374 1.848) 3.012 4.732 ( 3.088 1.537 2.407) 4.206 4.896 ( 6.281 22.347 2.125) 23.310 4.954 ( 4.251 -5.464 0.770) 6.965 5.039 ( 1.534 7.581 -8.420) 11.433 5.276 ( -3.508 3.699 3.939) 6.443 5.410 ( 1.492 0.219 -5.467) 5.672 5.616 ( -3.607 -11.127 2.701) 12.005 5.749 ( -0.097 -13.798 -4.248) 14.437 5.812 ( -2.646 10.185 0.165) 10.524 5.872 ( 0.684 10.279 -4.206) 11.127 6.083 ( -2.618 0.485 -3.947) 4.761 6.150 ( -0.763 -2.920 3.129) 4.348 6.255 ( -3.559 1.406 1.531) 4.121 6.416 ( -3.512 -0.807 -3.637) 5.120 6.490 ( -0.766 3.761 2.081) 4.366 6.599 ( 7.579 1.133 2.929) 8.204 6.821 ( -1.654 0.553 0.240) 1.760 6.861 ( 1.152 4.859 0.420) 5.011 6.971 ( -1.549 -6.547 -2.563) 7.200 7.164 ( 1.796 8.795 6.330) 10.984 7.201 ( 5.276 -0.355 3.738) 6.476 7.385 ( 8.104 1.007 -2.851) 8.650 7.971 ( -1.880 -4.700 -5.260) 7.300 8.024 ( 3.080 -3.495 7.239) 8.609 8.192 ( -0.106 6.866 2.970) 7.481 8.268 ( 1.069 2.995 -2.740) 4.198 8.483 ( -4.012 -1.942 1.108) 4.593 8.600 ( -1.935 -0.872 -0.252) 2.137 8.648 ( -1.195 -9.154 0.103) 9.232 8.763 ( -4.028 -5.809 2.691) 7.564 9.026 ( -1.961 -2.415 -7.969) 8.554 9.066 ( -2.138 -2.194 1.626) 3.468 9.195 ( -4.312 -2.277 -1.938) 5.247 9.296 ( 2.069 -0.139 1.583) 2.609 9.613 ( -1.684 -2.073 0.241) 2.681 9.647 ( 0.582 -0.461 -0.032) 0.743 9.810 ( 0.626 2.068 3.593) 4.193 9.983 ( 0.856 3.514 -3.898) 5.317 10.311 ( -7.659 1.560 4.276) 8.910 10.507 ( -3.953 1.333 -5.546) 6.940 10.612 ( 1.297 3.643 5.652) 6.849 10.655 ( 6.077 1.449 -2.335) 6.669 11.023 ( 3.472 0.710 -1.643) 3.906 11.172 ( 8.608 2.266 0.571) 8.919 11.839 ( -4.129 -0.122 2.813) 4.997 12.023 ( 3.037 -0.672 -4.092) 5.140 12.249 ( -3.687 -3.214 -4.848) 6.886 12.263 ( -0.862 -3.740 6.135) 7.236 12.649 ( -4.697 13.641 3.577) 14.864 12.790 ( 1.148 11.962 0.691) 12.037 13.043 ( -4.262 1.740 -0.604) 4.643 13.211 ( 1.530 4.182 -3.553) 5.696 13.375 ( -5.247 3.882 -1.100) 6.619 13.490 ( -0.081 1.747 -1.336) 2.201 13.925 ( -4.646 2.938 -0.419) 5.513 13.957 ( -7.418 2.064 8.959) 11.813 14.043 ( -1.630 4.162 -0.735) 4.530 14.347 ( 9.267 -0.716 -6.037) 11.083 14.558 ( -9.515 -2.238 3.565) 10.405 14.873 ( 7.488 -4.414 0.061) 8.692 15.021 ( -6.175 5.119 -4.380) 9.139 15.354 ( 1.991 4.311 0.159) 4.751 15.579 ( 7.913 -7.111 5.125) 11.809 15.603 ( 5.404 -2.822 -3.792) 7.179 15.858 ( 3.227 1.888 -5.088) 6.314 15.922 ( 5.993 4.462 4.059) 8.503 16.168 ( -7.293 -3.387 2.166) 8.328 16.387 ( 0.116 -2.335 -1.029) 2.555 16.624 ( -2.275 -7.077 -1.869) 7.665 16.758 ( 1.216 -3.746 -0.303) 3.950 17.280 ( -11.348 -0.636 1.242) 11.433 17.298 ( -7.808 -1.528 3.219) 8.582 17.763 ( -5.778 4.552 6.529) 9.835 17.871 ( -5.775 0.170 2.645) 6.354 17.888 ( -0.348 0.916 2.421) 2.612 18.094 ( 5.074 -5.493 -7.603) 10.664 18.380 ( 4.923 -3.823 2.407) 6.682 18.412 ( 2.420 -0.757 -15.359) 15.567 19.461 ( 1.220 7.560 2.905) 8.190 19.608 ( 6.815 7.832 -2.363) 10.647 19.771 ( -8.999 1.315 11.189) 14.419 20.032 ( -0.949 -1.693 -6.271) 6.564 20.437 ( -1.640 0.623 0.768) 1.915 20.515 ( 0.813 -0.544 0.440) 1.073 21.252 ( -0.550 -1.564 0.787) 1.835 21.456 ( 6.152 -4.166 -1.834) 7.653 21.604 ( -2.742 -0.496 -3.745) 4.668 21.684 ( -4.846 1.294 2.470) 5.591 21.754 ( 5.915 -1.820 8.042) 10.148 22.020 ( 7.826 -0.616 -6.475) 10.176 ======================= Grid point 149 (79/90) ======================= q-point: ( 0.29 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 6.896 17.850 0.399) 19.140 2.665 ( 16.039 14.182 -12.937) 25.014 2.751 ( 10.339 15.175 5.715) 19.231 3.155 ( 16.580 18.252 6.515) 25.504 3.263 ( -8.015 2.512 5.533) 10.058 3.353 ( -6.307 2.835 -3.171) 7.607 3.430 ( 2.881 -2.678 -5.400) 6.681 3.633 ( -3.218 -1.551 5.137) 6.257 3.756 ( -6.914 1.469 2.871) 7.629 3.853 ( -0.412 -5.565 3.525) 6.601 3.929 ( 9.284 1.073 -1.181) 9.420 4.146 ( 2.788 0.183 -4.569) 5.355 4.210 ( 2.682 -9.411 3.419) 10.366 4.301 ( -1.970 2.386 -3.157) 4.421 4.415 ( -1.322 1.226 4.248) 4.615 4.551 ( 4.586 -4.609 -3.592) 7.428 4.580 ( 3.757 4.135 -7.239) 9.144 4.741 ( 4.907 -3.430 6.151) 8.583 4.806 ( 3.567 -0.928 1.195) 3.875 5.004 ( 1.477 0.525 -7.734) 7.892 5.024 ( 3.641 19.831 3.010) 20.386 5.138 ( 9.200 -3.747 5.710) 11.457 5.215 ( -0.047 3.154 -0.212) 3.162 5.424 ( 0.155 2.248 0.370) 2.284 5.510 ( -7.337 -8.572 -3.207) 11.730 5.710 ( -2.421 -10.682 -2.704) 11.282 5.727 ( -5.460 5.508 2.244) 8.073 5.870 ( 0.371 6.883 -1.093) 6.979 6.073 ( 3.122 1.027 -3.531) 4.823 6.138 ( -1.561 1.480 1.938) 2.895 6.204 ( -1.534 0.159 -3.285) 3.629 6.335 ( -3.833 0.243 -0.780) 3.919 6.466 ( -1.757 1.734 3.295) 4.117 6.719 ( -1.457 -3.138 -3.133) 4.667 6.783 ( 0.945 2.600 3.346) 4.341 6.872 ( 0.355 3.147 -1.789) 3.638 6.986 ( 5.585 -4.173 -1.826) 7.206 7.220 ( -0.052 5.926 7.952) 9.917 7.352 ( 8.400 -1.245 3.324) 9.119 7.543 ( 9.107 1.578 -3.654) 9.939 7.899 ( -3.427 -4.099 -3.708) 6.504 8.124 ( 3.322 -0.702 6.556) 7.383 8.193 ( -3.712 4.440 0.919) 5.860 8.247 ( 0.145 2.464 -3.800) 4.532 8.434 ( -0.448 -2.342 0.785) 2.510 8.551 ( -2.779 -1.729 0.990) 3.420 8.637 ( -1.475 -2.367 -3.027) 4.116 8.675 ( -4.894 -2.952 4.559) 7.311 8.920 ( -2.419 -2.972 -6.690) 7.709 9.050 ( -3.186 -0.176 4.038) 5.147 9.104 ( -2.690 -4.313 -1.781) 5.386 9.324 ( -0.387 1.505 2.561) 2.995 9.545 ( -4.705 -1.636 -1.811) 5.300 9.656 ( -0.511 0.586 -2.022) 2.167 9.897 ( 6.267 3.605 -0.401) 7.241 9.919 ( -4.927 2.451 0.989) 5.591 10.218 ( -4.176 2.264 5.358) 7.161 10.406 ( -3.390 1.085 -5.621) 6.653 10.655 ( 0.487 2.905 5.325) 6.086 10.736 ( 3.545 0.098 -2.803) 4.521 11.169 ( 12.012 0.133 -0.620) 12.029 11.359 ( 10.584 2.106 0.531) 10.804 11.768 ( -4.466 1.162 1.786) 4.948 12.024 ( -1.956 -0.492 -3.202) 3.785 12.156 ( -2.752 -2.242 -5.429) 6.487 12.239 ( -5.444 -3.699 6.039) 8.932 12.600 ( -2.605 11.643 5.815) 13.272 12.799 ( -0.957 8.831 1.830) 9.069 12.949 ( -3.396 3.660 -4.081) 6.449 13.195 ( -1.167 1.860 -3.221) 3.898 13.293 ( -1.862 2.597 -2.144) 3.849 13.454 ( -3.501 -1.025 0.484) 3.680 13.809 ( -7.616 -1.172 4.057) 8.708 13.909 ( -2.485 1.426 -3.441) 4.478 13.990 ( -0.153 9.578 2.268) 9.844 14.384 ( -9.799 6.166 5.010) 12.615 14.507 ( 8.190 0.709 -2.929) 8.727 14.916 ( -2.314 1.592 -6.868) 7.420 15.025 ( 7.579 -2.972 1.247) 8.236 15.367 ( -0.291 1.966 -0.583) 2.072 15.648 ( 3.553 -3.680 -3.081) 5.972 15.734 ( 2.780 -7.704 4.638) 9.412 15.955 ( 7.903 1.677 -4.208) 9.109 16.027 ( -2.582 -1.374 -0.279) 2.938 16.119 ( 6.986 1.246 7.718) 10.485 16.344 ( -2.948 -2.784 -0.068) 4.055 16.620 ( 0.623 -5.465 0.802) 5.558 16.729 ( -2.840 1.310 -1.901) 3.660 17.024 ( -14.691 1.855 0.434) 14.814 17.125 ( -10.008 -2.019 -1.130) 10.272 17.682 ( -4.358 3.454 3.346) 6.490 17.781 ( -3.405 0.241 -2.141) 4.030 17.914 ( -0.750 0.988 10.628) 10.700 18.201 ( 9.032 -7.097 -5.847) 12.889 18.359 ( 1.102 0.667 -16.652) 16.701 18.450 ( -0.298 -5.984 3.927) 7.163 19.502 ( 1.395 6.216 1.472) 6.538 19.650 ( -7.425 3.081 6.100) 10.091 19.732 ( 6.342 7.403 -0.128) 9.750 19.973 ( -2.699 1.617 -1.867) 3.659 20.422 ( -0.033 0.563 0.229) 0.608 20.516 ( -1.318 -0.804 1.373) 2.066 21.295 ( 3.934 -2.436 1.066) 4.749 21.530 ( 2.092 -4.980 -1.589) 5.630 21.545 ( -1.606 0.369 -2.893) 3.330 21.612 ( -3.073 0.740 0.991) 3.313 21.915 ( 6.205 -2.859 7.608) 10.225 22.129 ( 6.457 -1.695 -6.011) 8.983 ======================= Grid point 150 (80/90) ======================= q-point: ( 0.43 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 7.333 14.135 2.863) 16.179 2.814 ( 0.059 9.014 -0.986) 9.068 2.934 ( 9.603 8.488 -6.836) 14.526 3.122 ( -11.023 6.963 -4.779) 13.886 3.253 ( 7.639 15.333 6.678) 18.386 3.385 ( 2.718 9.382 5.500) 11.210 3.532 ( 1.331 -1.742 -1.336) 2.568 3.559 ( -7.057 6.441 2.080) 9.779 3.750 ( 9.848 -2.447 -2.954) 10.569 3.796 ( -6.051 -5.057 7.313) 10.755 4.067 ( 4.000 -1.303 -2.511) 4.899 4.192 ( -2.741 -0.673 -3.611) 4.583 4.279 ( 7.683 -0.047 -0.939) 7.740 4.315 ( 6.494 0.188 3.134) 7.213 4.363 ( -5.334 -1.728 2.009) 5.956 4.565 ( -2.856 1.805 -4.124) 5.331 4.640 ( 3.771 3.777 1.812) 5.637 4.740 ( -5.531 5.454 -1.754) 7.964 4.878 ( -0.415 -4.459 7.923) 9.101 5.032 ( 2.108 -5.229 -4.924) 7.485 5.057 ( 5.446 6.141 -3.128) 8.784 5.213 ( -4.601 -3.328 -1.665) 5.918 5.288 ( 2.631 10.989 -0.705) 11.321 5.384 ( -0.903 -2.335 -2.776) 3.738 5.497 ( 7.359 -9.115 4.150) 12.428 5.634 ( -3.191 -1.739 1.290) 3.857 5.711 ( 3.536 -2.739 0.573) 4.509 5.849 ( -4.082 4.899 2.187) 6.742 6.065 ( -2.087 1.588 -1.109) 2.847 6.129 ( -2.767 1.478 -1.788) 3.611 6.201 ( 5.250 3.561 -4.674) 7.880 6.258 ( -3.912 1.451 -1.024) 4.296 6.489 ( 2.688 -0.773 2.089) 3.491 6.608 ( -5.059 -3.083 -3.029) 6.654 6.815 ( 0.487 3.638 2.142) 4.250 6.870 ( -0.458 -3.894 -0.461) 3.948 7.131 ( 7.647 2.788 0.706) 8.169 7.210 ( -4.196 0.698 6.058) 7.403 7.528 ( 7.067 0.035 2.749) 7.582 7.649 ( 3.437 2.242 -5.177) 6.606 7.826 ( -2.607 -4.730 2.275) 5.860 8.034 ( -8.123 0.343 -6.196) 10.223 8.205 ( 3.910 -0.804 1.640) 4.315 8.289 ( -0.450 0.301 2.298) 2.361 8.414 ( -0.957 0.531 0.723) 1.312 8.515 ( -0.842 2.026 2.097) 3.035 8.585 ( -0.455 1.513 -2.984) 3.376 8.639 ( -2.645 0.534 0.459) 2.737 8.901 ( 2.138 -1.360 -1.528) 2.959 8.975 ( -4.386 -0.012 0.990) 4.496 9.152 ( 6.489 -5.606 5.634) 10.260 9.325 ( -0.247 1.936 2.246) 2.975 9.448 ( -3.586 -0.842 -3.134) 4.836 9.538 ( -8.465 -1.683 -7.366) 11.346 9.898 ( 0.885 3.080 4.544) 5.560 9.978 ( 1.801 5.223 -1.733) 5.790 10.206 ( -0.476 1.309 5.724) 5.891 10.342 ( -0.167 0.557 -5.952) 5.980 10.682 ( -0.408 2.272 5.149) 5.642 10.765 ( 1.647 0.315 -3.602) 3.973 11.404 ( 10.783 1.305 1.841) 11.016 11.538 ( 5.319 1.386 -1.120) 5.609 11.714 ( 0.287 2.497 1.760) 3.069 11.905 ( -8.196 0.029 -3.919) 9.085 12.116 ( -2.512 -3.167 0.584) 4.084 12.133 ( -3.148 -1.139 -0.937) 3.477 12.610 ( 0.381 8.733 6.870) 11.118 12.762 ( -2.601 7.878 -1.898) 8.510 12.924 ( 1.282 2.474 2.161) 3.526 13.123 ( -3.327 0.035 -7.211) 7.941 13.320 ( 5.216 0.427 -1.823) 5.542 13.370 ( -6.109 -2.214 3.180) 7.235 13.716 ( -3.732 1.139 4.151) 5.697 13.813 ( -3.420 -1.542 -4.843) 6.126 14.084 ( 6.653 12.810 2.748) 14.694 14.236 ( -7.248 11.594 1.654) 13.772 14.624 ( 4.395 -0.760 1.655) 4.757 14.846 ( -1.279 -1.037 -9.875) 10.011 15.158 ( 4.586 -0.321 4.303) 6.297 15.332 ( -1.933 0.744 -4.066) 4.564 15.708 ( 3.327 -5.459 -1.566) 6.582 15.741 ( -2.246 -5.947 1.551) 6.543 16.001 ( 0.074 -3.863 2.394) 4.546 16.044 ( 2.337 -3.279 -1.912) 4.457 16.304 ( 3.150 4.042 8.734) 10.126 16.344 ( 5.364 2.984 -2.666) 6.692 16.541 ( -7.716 0.169 8.299) 11.333 16.709 ( -2.956 0.790 2.246) 3.796 16.814 ( -5.511 0.079 -1.769) 5.789 16.966 ( -0.697 -3.307 -13.158) 13.585 17.645 ( -1.444 2.054 3.435) 4.255 17.724 ( -1.138 0.207 -3.404) 3.595 17.958 ( -0.634 1.510 12.863) 12.967 18.285 ( 0.094 -0.909 -13.592) 13.622 18.361 ( 8.371 -5.573 -5.717) 11.568 18.407 ( -5.324 -6.888 3.180) 9.268 19.491 ( -5.496 4.307 9.603) 11.874 19.603 ( 3.038 4.897 -6.515) 8.698 19.828 ( 2.462 6.684 3.456) 7.918 19.926 ( -0.746 5.153 -2.554) 5.799 20.441 ( 1.813 -0.568 0.450) 1.952 20.480 ( -3.021 -0.805 1.636) 3.529 21.380 ( 3.734 -3.235 2.015) 5.336 21.488 ( -3.166 -4.138 -0.919) 5.291 21.545 ( 0.152 1.146 0.134) 1.164 21.585 ( 0.166 -0.711 -3.232) 3.314 22.035 ( 2.424 -2.842 7.323) 8.221 22.189 ( 2.725 -2.980 -6.161) 7.366 ======================= Grid point 151 (81/90) ======================= q-point: (-0.43 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -12.042 14.086 6.118) 19.515 2.832 ( -6.876 13.283 -2.889) 15.233 2.910 ( -2.889 8.133 0.673) 8.657 3.110 ( 11.011 8.075 -5.445) 14.700 3.318 ( -4.469 11.643 0.741) 12.494 3.460 ( 1.930 8.445 -2.214) 8.941 3.504 ( -2.686 -3.016 -0.143) 4.041 3.556 ( 8.422 1.454 2.205) 8.826 3.697 ( -5.909 -1.645 3.788) 7.209 3.905 ( 5.362 -3.061 -2.624) 6.709 4.057 ( -4.728 1.547 0.366) 4.988 4.159 ( 2.448 -1.155 -4.473) 5.228 4.263 ( -5.227 -5.460 1.022) 7.628 4.362 ( -6.602 10.187 0.475) 12.148 4.406 ( 2.577 3.702 -2.549) 5.181 4.505 ( 4.956 -3.774 0.993) 6.307 4.598 ( -8.200 6.016 2.944) 10.588 4.742 ( 2.985 5.381 4.378) 7.553 4.849 ( -7.480 -5.919 5.103) 10.818 4.872 ( -10.343 -2.903 6.500) 12.556 5.142 ( 4.418 -5.022 -9.475) 11.599 5.243 ( 1.106 5.645 3.364) 6.664 5.328 ( 6.654 0.863 -9.108) 11.313 5.379 ( 2.247 2.036 -3.397) 4.553 5.567 ( -1.474 -8.501 1.768) 8.807 5.614 ( -0.545 -8.572 1.377) 8.699 5.753 ( -2.536 5.733 -3.021) 6.959 5.866 ( 6.840 0.589 0.098) 6.866 6.039 ( -3.040 5.626 1.769) 6.635 6.073 ( 1.223 1.341 0.767) 1.970 6.157 ( -3.760 1.583 0.178) 4.084 6.295 ( 4.353 2.413 -2.967) 5.794 6.539 ( 0.200 -1.108 -3.006) 3.210 6.572 ( 4.013 -0.684 0.465) 4.097 6.829 ( -1.021 0.461 1.935) 2.236 6.854 ( -0.309 -1.655 -0.169) 1.692 7.082 ( -9.270 1.866 4.695) 10.557 7.282 ( 5.515 1.867 1.168) 5.938 7.550 ( -5.975 2.332 2.939) 7.055 7.600 ( -6.389 0.157 -4.368) 7.741 7.857 ( -0.376 -4.193 2.484) 4.888 7.941 ( 5.357 -4.630 -0.057) 7.081 8.221 ( -4.060 -0.992 -0.437) 4.203 8.299 ( 5.189 -0.802 1.392) 5.432 8.418 ( -2.702 3.170 2.581) 4.900 8.522 ( -0.978 3.183 -3.293) 4.683 8.595 ( 2.747 0.819 2.792) 4.002 8.626 ( 4.802 1.386 -2.405) 5.547 8.865 ( -5.358 -0.695 1.391) 5.579 9.014 ( 7.275 -0.238 -2.545) 7.711 9.247 ( -7.283 -2.082 -0.864) 7.624 9.348 ( 6.392 -0.277 3.790) 7.436 9.395 ( -0.073 -0.398 -1.766) 1.812 9.458 ( 5.857 -3.665 -1.752) 7.127 9.925 ( -1.046 3.326 3.587) 5.002 9.969 ( -0.933 4.842 -2.495) 5.526 10.226 ( 0.159 0.329 5.208) 5.221 10.336 ( 1.836 1.270 -6.759) 7.118 10.681 ( -1.929 3.302 4.812) 6.146 10.777 ( 1.427 0.013 -4.174) 4.411 11.443 ( -9.534 0.349 -1.761) 9.701 11.532 ( -4.476 0.984 -0.921) 4.674 11.705 ( -1.033 2.624 2.774) 3.956 11.894 ( 9.235 1.178 -2.815) 9.726 12.030 ( -3.295 -0.972 4.843) 5.937 12.204 ( 7.479 -1.866 -3.788) 8.589 12.670 ( 1.680 7.132 5.733) 9.304 12.721 ( 1.003 9.515 -3.101) 10.057 12.949 ( -2.961 2.038 3.319) 4.893 13.067 ( 3.145 -1.848 -5.119) 6.286 13.279 ( -4.106 0.322 2.427) 4.780 13.422 ( 5.521 -1.504 -2.173) 6.121 13.707 ( -0.029 -0.337 5.215) 5.226 13.780 ( 2.134 0.187 -1.126) 2.420 14.108 ( -4.588 13.242 -0.506) 14.024 14.258 ( 9.165 12.491 -0.617) 15.505 14.690 ( 0.679 -2.328 3.935) 4.623 14.765 ( -1.599 -1.335 -10.407) 10.613 15.177 ( -5.649 -0.571 3.591) 6.718 15.317 ( 3.217 0.814 -3.420) 4.765 15.665 ( -4.601 -4.441 2.417) 6.836 15.780 ( 2.960 -6.213 -2.223) 7.232 15.997 ( -0.927 -2.833 1.515) 3.344 16.068 ( -1.866 -0.944 -2.951) 3.617 16.213 ( -5.826 0.455 7.698) 9.664 16.480 ( -4.639 3.522 -1.053) 5.919 16.531 ( 7.419 1.460 3.918) 8.516 16.646 ( -6.594 -3.308 10.215) 12.601 16.767 ( 7.018 1.059 -5.017) 8.692 17.041 ( 12.873 -1.549 -14.027) 19.101 17.644 ( -0.651 1.338 3.141) 3.476 17.724 ( 3.167 0.798 -3.251) 4.608 18.010 ( -0.680 1.459 14.073) 14.165 18.190 ( -5.160 -1.551 -5.978) 8.048 18.300 ( -4.027 -5.637 -4.069) 8.034 18.484 ( 5.575 -5.609 -4.503) 9.100 19.445 ( -3.366 4.178 9.238) 10.683 19.655 ( 5.320 4.086 -6.868) 9.601 19.819 ( -4.545 7.258 3.363) 9.200 19.952 ( 4.469 5.322 -4.199) 8.119 20.430 ( -2.629 -0.282 1.767) 3.180 20.483 ( 1.840 -1.528 1.150) 2.654 21.404 ( -4.239 -2.835 0.432) 5.118 21.449 ( 1.105 -4.633 1.855) 5.111 21.548 ( -0.412 0.474 -0.920) 1.114 21.587 ( 2.277 0.141 -2.253) 3.206 22.069 ( -2.479 -1.785 6.885) 7.532 22.167 ( -1.816 -4.205 -6.861) 8.249 ======================= Grid point 152 (82/90) ======================= q-point: (-0.29 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -14.479 17.943 8.375) 24.530 2.575 ( -13.051 20.648 0.405) 24.430 2.842 ( -6.653 13.862 -3.386) 15.744 3.265 ( -13.169 5.856 -3.593) 14.854 3.290 ( 7.891 9.100 0.670) 12.064 3.343 ( -1.381 -3.162 -2.642) 4.346 3.452 ( 4.143 3.305 -6.673) 8.522 3.690 ( 2.939 -8.004 -1.403) 8.641 3.754 ( 6.995 -0.224 2.725) 7.510 3.921 ( -2.460 0.728 3.433) 4.286 3.946 ( -6.396 -1.039 -3.151) 7.205 4.104 ( -3.282 0.696 -5.216) 6.202 4.205 ( -3.024 8.137 4.972) 10.003 4.276 ( 0.646 -8.238 -1.251) 8.357 4.415 ( -11.704 3.065 4.679) 12.972 4.467 ( -2.138 -2.493 4.032) 5.200 4.525 ( 1.509 1.013 -3.739) 4.157 4.702 ( -5.231 3.463 11.523) 13.120 4.780 ( -6.421 -1.504 6.612) 9.338 4.881 ( 5.599 7.404 -0.789) 9.316 5.090 ( -6.573 -4.548 -5.141) 9.504 5.231 ( 1.545 0.763 -1.293) 2.154 5.324 ( -3.641 1.121 -9.770) 10.487 5.473 ( 2.573 -3.137 -2.367) 4.697 5.522 ( 4.465 2.658 -5.322) 7.438 5.654 ( 2.177 -8.045 3.212) 8.932 5.778 ( 4.517 2.661 -2.558) 5.833 5.848 ( -3.756 1.987 0.659) 4.300 5.991 ( -2.107 5.707 1.957) 6.391 6.163 ( 3.622 0.645 0.285) 3.690 6.179 ( 5.542 0.118 0.826) 5.604 6.343 ( 2.079 0.673 -1.661) 2.745 6.533 ( 0.834 0.960 -3.949) 4.148 6.649 ( 1.432 0.506 4.272) 4.534 6.824 ( -2.252 -0.033 2.583) 3.427 6.828 ( -0.087 5.248 -1.064) 5.356 6.943 ( -5.372 -2.837 1.952) 6.381 7.336 ( -1.331 6.059 -3.061) 6.917 7.385 ( -12.189 3.614 3.299) 13.135 7.448 ( -5.979 -5.101 3.030) 8.423 7.854 ( 0.601 -6.504 0.440) 6.547 8.112 ( 6.926 -6.305 5.324) 10.773 8.163 ( -2.329 3.074 2.186) 4.433 8.317 ( -4.953 0.714 -6.070) 7.867 8.411 ( 5.791 -0.312 2.110) 6.171 8.531 ( 1.778 0.791 1.038) 2.206 8.645 ( 1.437 -0.228 -0.689) 1.610 8.731 ( 2.325 -1.426 -2.207) 3.508 8.802 ( 1.791 -0.691 4.566) 4.954 9.113 ( -1.241 -1.588 -3.134) 3.726 9.148 ( 5.100 -1.165 -4.092) 6.642 9.385 ( 1.395 0.483 -4.033) 4.295 9.498 ( 5.681 -0.465 3.828) 6.866 9.593 ( 5.133 -2.487 2.655) 6.291 9.886 ( -4.256 3.061 0.366) 5.255 9.943 ( 0.133 1.741 -0.311) 1.773 10.289 ( 3.740 1.008 5.174) 6.463 10.339 ( 2.537 1.758 -5.752) 6.528 10.665 ( -2.092 4.683 3.088) 5.987 10.763 ( -1.118 -0.455 -4.012) 4.190 11.186 ( -13.942 -1.519 -2.684) 14.279 11.366 ( -9.210 3.382 0.215) 9.813 11.788 ( 5.329 2.491 -0.078) 5.884 12.010 ( 3.441 0.730 -2.256) 4.179 12.051 ( 2.038 -0.931 5.845) 6.259 12.324 ( 5.911 -3.633 -2.809) 7.486 12.689 ( 1.376 11.069 -2.664) 11.467 12.805 ( 5.443 8.401 3.189) 10.506 12.878 ( -3.659 4.439 1.121) 5.861 13.144 ( 4.096 -2.563 0.485) 4.856 13.269 ( 2.585 3.606 0.286) 4.446 13.488 ( 2.908 -0.928 -2.652) 4.044 13.759 ( 2.405 -2.466 6.512) 7.367 13.865 ( 4.988 1.523 4.232) 6.716 14.053 ( 0.762 11.835 -4.808) 12.797 14.425 ( 7.002 8.293 -1.364) 10.939 14.605 ( -4.072 -0.216 -9.213) 10.075 14.795 ( 4.532 -1.767 3.670) 6.093 15.042 ( -8.723 -3.277 0.234) 9.322 15.356 ( 0.843 1.443 0.688) 1.807 15.597 ( -3.798 -1.721 2.403) 4.813 15.750 ( -7.421 -5.150 2.279) 9.316 15.922 ( -6.743 1.592 -0.475) 6.945 16.032 ( 3.584 0.022 -0.915) 3.699 16.260 ( 2.033 -1.666 -5.202) 5.829 16.327 ( -4.697 0.158 0.662) 4.746 16.560 ( -4.687 -5.374 6.634) 9.739 16.687 ( 5.805 -3.851 1.621) 7.153 16.978 ( 12.470 1.455 1.502) 12.644 17.252 ( 14.964 0.598 -9.518) 17.745 17.661 ( 0.958 2.462 3.566) 4.438 17.800 ( 6.222 1.305 -3.372) 7.197 18.033 ( -6.562 -2.128 8.415) 10.881 18.085 ( -1.512 -1.301 7.752) 8.004 18.222 ( -0.489 -2.795 -12.234) 12.559 18.514 ( -0.149 -4.163 -3.856) 5.676 19.449 ( -0.722 5.221 6.089) 8.053 19.711 ( -4.310 2.734 2.737) 5.792 19.742 ( 2.638 7.298 -3.480) 8.505 20.015 ( 4.315 2.484 -5.674) 7.549 20.413 ( 0.260 0.802 1.220) 1.483 20.510 ( 0.087 -2.009 1.806) 2.703 21.314 ( -4.395 -2.627 -0.641) 5.161 21.471 ( -0.469 -3.951 3.366) 5.211 21.525 ( -1.176 -0.238 -0.554) 1.321 21.644 ( 4.248 0.851 -1.540) 4.598 22.012 ( -6.665 -0.525 6.298) 9.185 22.063 ( -4.946 -4.652 -7.932) 10.442 ======================= Grid point 153 (83/90) ======================= q-point: (-0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -10.063 19.967 11.287) 25.047 2.429 ( -3.953 26.161 3.604) 26.702 2.685 ( -7.716 17.038 -5.274) 19.433 2.878 ( -17.334 12.753 -12.584) 24.929 3.301 ( -1.121 -1.064 3.089) 3.454 3.476 ( 7.811 1.768 1.869) 8.224 3.568 ( 7.603 -2.769 -6.927) 10.652 3.657 ( -9.075 -2.144 -2.015) 9.540 3.747 ( 2.277 -9.449 -1.664) 9.861 3.834 ( -4.772 -0.949 0.015) 4.865 4.017 ( 6.780 2.441 0.654) 7.235 4.076 ( 1.278 -3.460 -0.199) 3.694 4.167 ( -3.471 -4.592 3.404) 6.687 4.252 ( -4.819 -0.667 5.909) 7.654 4.293 ( -3.104 4.175 3.565) 6.306 4.425 ( -1.639 -6.859 3.451) 7.851 4.544 ( 0.094 1.754 -0.938) 1.991 4.668 ( -2.293 3.803 5.719) 7.241 4.708 ( -3.173 7.217 4.315) 8.988 4.920 ( -7.175 -2.685 -1.827) 7.876 4.944 ( 0.099 4.337 -3.533) 5.595 5.171 ( -1.659 14.388 -13.031) 19.483 5.296 ( 0.377 -3.654 -1.493) 3.965 5.436 ( -0.234 3.022 -5.119) 5.949 5.619 ( 1.779 -10.547 4.930) 11.778 5.688 ( 2.772 -5.691 -2.489) 6.802 5.808 ( 0.400 6.535 1.428) 6.702 5.870 ( 3.199 4.243 -3.089) 6.147 6.017 ( 4.102 0.043 2.348) 4.726 6.222 ( 0.701 -2.746 -4.186) 5.056 6.261 ( 5.221 2.672 1.934) 6.176 6.356 ( -0.729 0.567 1.601) 1.849 6.530 ( -0.154 3.449 -2.048) 4.014 6.621 ( -4.473 0.625 0.988) 4.624 6.791 ( -1.777 -0.701 4.034) 4.464 6.846 ( 1.283 7.957 0.162) 8.062 6.943 ( 3.822 -3.660 0.703) 5.339 7.175 ( -11.027 4.398 4.505) 12.698 7.249 ( -4.404 2.987 -0.510) 5.345 7.372 ( -4.702 -2.159 -0.175) 5.177 7.880 ( 1.406 -6.228 2.528) 6.867 8.138 ( -2.861 5.119 4.962) 7.682 8.148 ( -1.918 -5.988 -3.897) 7.397 8.283 ( 1.972 0.623 -1.134) 2.359 8.503 ( 2.186 -1.873 -1.624) 3.305 8.569 ( 3.115 2.297 1.719) 4.236 8.681 ( 3.351 -4.981 -1.384) 6.161 8.718 ( -2.065 -7.165 6.698) 10.023 8.938 ( 7.503 -0.811 0.409) 7.558 9.085 ( -0.073 -0.699 -0.331) 0.777 9.219 ( 3.030 -1.880 -4.492) 5.735 9.371 ( -0.820 0.157 -5.399) 5.463 9.596 ( 2.719 -1.824 2.826) 4.325 9.640 ( -0.046 -2.166 -0.074) 2.168 9.848 ( 1.255 2.970 -0.525) 3.267 9.932 ( -2.349 0.448 1.244) 2.695 10.384 ( 3.006 1.293 6.423) 7.209 10.405 ( 6.682 1.238 -4.637) 8.227 10.616 ( -4.395 4.966 1.505) 6.801 10.704 ( -2.832 0.099 -3.228) 4.296 10.987 ( -5.409 2.233 0.863) 5.915 11.211 ( -6.810 2.607 -2.430) 7.686 11.869 ( 2.972 1.630 0.570) 3.437 12.009 ( -1.021 -0.987 -3.829) 4.084 12.133 ( 3.052 -0.497 6.533) 7.228 12.377 ( 1.398 -6.101 -4.521) 7.721 12.712 ( 2.446 13.629 -2.899) 14.147 12.801 ( -3.311 10.329 -0.363) 10.853 12.956 ( 5.641 6.466 7.540) 11.423 13.195 ( 1.294 -1.468 -1.579) 2.515 13.354 ( 5.402 5.095 0.249) 7.430 13.515 ( 1.295 0.860 -3.300) 3.647 13.853 ( 4.531 -0.115 6.240) 7.712 13.974 ( 3.007 3.968 7.341) 8.869 14.090 ( 4.377 3.477 -4.724) 7.319 14.345 ( -8.637 3.149 -5.811) 10.875 14.648 ( 7.842 -2.350 -5.541) 9.885 14.867 ( -9.207 -6.311 0.872) 11.197 14.952 ( 10.397 2.617 2.532) 11.016 15.349 ( -2.658 2.823 1.077) 4.025 15.516 ( -7.893 2.304 4.371) 9.313 15.603 ( -5.346 -4.858 2.024) 7.502 15.838 ( -2.198 -0.758 -1.877) 2.988 16.006 ( -5.636 6.093 -4.551) 9.466 16.247 ( 5.993 -2.134 -6.133) 8.836 16.340 ( -1.913 -2.186 3.811) 4.792 16.578 ( 4.210 -7.372 2.522) 8.856 16.749 ( 0.029 -7.243 0.982) 7.309 17.189 ( 7.922 -1.226 5.028) 9.463 17.461 ( 8.993 -0.493 -7.508) 11.725 17.706 ( 0.984 4.129 7.898) 8.966 17.887 ( 1.644 0.734 0.034) 1.800 17.971 ( 1.408 -1.662 -1.079) 2.431 18.136 ( 0.500 -1.417 12.520) 12.610 18.157 ( 0.014 -2.390 -13.302) 13.515 18.466 ( -1.190 -2.250 -6.912) 7.366 19.454 ( -1.403 7.148 4.082) 8.350 19.593 ( -5.818 7.430 -0.521) 9.452 19.823 ( 2.749 0.642 5.301) 6.006 20.052 ( 3.053 -0.703 -8.294) 8.866 20.445 ( 2.350 0.832 -0.097) 2.494 20.501 ( -1.850 -1.634 1.852) 3.086 21.265 ( 0.252 -1.332 -0.415) 1.418 21.431 ( -4.842 -5.163 0.801) 7.124 21.537 ( 1.992 0.335 3.081) 3.684 21.711 ( 2.433 1.262 -0.836) 2.865 21.892 ( -7.370 0.110 3.008) 7.961 21.939 ( -3.741 -2.974 -6.769) 8.287 ======================= Grid point 154 (84/90) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 5.213 9.836 10.105) 15.034 2.738 ( -7.246 7.233 -6.598) 12.179 2.927 ( 0.491 18.513 0.866) 18.540 2.998 ( 2.384 13.531 -5.205) 14.692 3.375 ( 3.186 -2.808 5.226) 6.734 3.444 ( 0.363 -2.792 1.821) 3.353 3.489 ( -4.705 -2.250 -5.849) 7.836 3.524 ( -1.669 -3.649 -5.848) 7.092 3.579 ( 7.480 -8.545 -2.277) 11.582 3.602 ( -4.331 -7.811 -3.473) 9.583 3.953 ( -0.222 -2.358 3.016) 3.834 4.031 ( -2.174 -1.767 -5.824) 6.463 4.149 ( 5.260 -1.202 6.230) 8.241 4.215 ( -2.056 -2.120 -0.579) 3.009 4.291 ( 0.832 -0.063 5.494) 5.557 4.350 ( 1.793 -2.162 0.082) 2.809 4.560 ( -3.329 3.136 6.082) 7.610 4.627 ( -0.804 -3.186 -2.431) 4.087 4.762 ( -0.031 0.262 6.884) 6.889 4.871 ( -3.124 -0.575 -3.841) 4.984 5.188 ( 0.871 9.328 4.921) 10.582 5.232 ( 0.735 5.204 -1.925) 5.597 5.358 ( -0.374 -9.375 2.561) 9.725 5.403 ( 0.717 -5.081 -2.910) 5.899 5.528 ( -0.754 11.672 -0.621) 11.713 5.653 ( 0.783 6.921 -12.145) 14.001 5.925 ( 2.834 -2.889 4.902) 6.357 6.012 ( -0.301 -6.761 -1.098) 6.856 6.104 ( -3.166 7.069 -0.605) 7.769 6.187 ( 2.449 4.693 -5.747) 7.813 6.380 ( 0.718 3.670 2.750) 4.642 6.411 ( 2.002 2.779 -0.145) 3.428 6.523 ( 1.100 -2.624 0.741) 2.940 6.540 ( -3.027 -1.345 -0.592) 3.365 6.816 ( 4.611 -0.329 2.218) 5.127 6.875 ( -5.780 -1.362 -3.606) 6.948 7.019 ( -8.696 -0.501 2.243) 8.995 7.044 ( 7.064 -0.587 -0.456) 7.103 7.322 ( 1.172 7.988 6.560) 10.403 7.394 ( -0.554 3.900 -0.856) 4.031 7.824 ( 3.440 -5.015 5.594) 8.263 7.915 ( -3.140 -6.005 -1.388) 6.917 8.244 ( 0.888 0.552 8.208) 8.275 8.312 ( 0.690 2.027 4.086) 4.613 8.431 ( -0.797 -5.318 -1.419) 5.561 8.508 ( -2.785 -4.514 -3.511) 6.361 8.651 ( -1.347 1.342 -4.334) 4.733 8.669 ( 4.103 -0.944 -3.316) 5.359 9.011 ( 2.294 -0.342 4.071) 4.685 9.103 ( -4.255 -0.274 -5.894) 7.274 9.178 ( 3.688 -1.096 4.957) 6.275 9.295 ( -3.529 -0.399 -7.613) 8.401 9.595 ( -0.463 -0.749 1.719) 1.931 9.604 ( 1.294 -1.086 0.057) 1.690 9.868 ( -4.422 1.105 6.202) 7.697 9.993 ( 6.488 1.948 -7.224) 9.903 10.400 ( -3.612 -1.262 4.568) 5.959 10.484 ( 4.423 -1.672 -4.545) 6.559 10.647 ( -0.518 2.351 3.341) 4.119 10.688 ( -1.233 1.822 -0.621) 2.286 11.054 ( 2.418 2.841 2.064) 4.264 11.109 ( -3.575 -0.750 -3.339) 4.949 11.892 ( -2.907 0.051 2.483) 3.824 11.971 ( 2.939 -0.469 -6.079) 6.769 12.196 ( 0.806 0.304 2.804) 2.934 12.246 ( -0.932 -3.308 -2.603) 4.312 12.937 ( -1.995 6.188 4.556) 7.939 12.982 ( 0.265 7.622 -0.673) 7.656 13.088 ( -3.193 -1.770 4.668) 5.926 13.201 ( 6.046 -0.441 -6.840) 9.140 13.510 ( 1.405 1.995 -0.949) 2.618 13.517 ( -0.907 0.186 -1.651) 1.893 13.994 ( -1.155 0.475 8.367) 8.459 14.022 ( 2.028 -1.215 6.723) 7.126 14.246 ( -3.142 10.561 -0.993) 11.063 14.326 ( -0.652 4.083 -9.579) 10.434 14.530 ( -7.189 -8.316 3.854) 11.648 14.625 ( 8.125 -4.774 -5.554) 10.939 15.231 ( 11.727 -1.142 3.864) 12.400 15.305 ( -9.238 2.152 -4.399) 10.456 15.474 ( -3.452 2.305 2.132) 4.666 15.514 ( 3.623 -0.803 -1.838) 4.141 15.863 ( 2.434 1.095 4.460) 5.197 15.939 ( -5.168 0.762 -3.370) 6.216 16.289 ( -6.407 2.342 4.342) 8.086 16.337 ( 3.576 0.296 -0.384) 3.609 16.520 ( -1.815 -6.435 1.195) 6.792 16.583 ( 7.128 -3.847 -6.786) 10.566 17.284 ( 1.537 -0.775 9.323) 9.480 17.435 ( -5.213 -0.484 -5.861) 7.859 17.807 ( -0.242 0.551 11.922) 11.937 17.895 ( -1.348 0.268 5.429) 5.600 18.008 ( -2.010 1.102 -4.781) 5.302 18.043 ( -1.179 -1.344 -9.748) 9.910 18.203 ( 5.046 -1.134 7.106) 8.789 18.423 ( 3.772 -0.150 -16.095) 16.532 19.583 ( -1.971 4.314 5.736) 7.443 19.671 ( 2.756 4.205 -3.181) 5.950 19.831 ( -4.579 -1.166 9.248) 10.385 19.996 ( 1.650 -2.550 -8.642) 9.160 20.458 ( -0.298 -0.437 1.857) 1.931 20.482 ( 0.583 -0.217 -0.955) 1.140 21.251 ( -2.701 -1.381 3.466) 4.606 21.323 ( 3.299 -0.626 -4.169) 5.354 21.611 ( 4.191 -0.108 4.177) 5.918 21.678 ( -4.160 -0.138 -3.018) 5.141 21.806 ( -7.154 0.513 5.010) 8.749 21.905 ( 6.500 -0.350 -5.611) 8.594 ======================= Grid point 155 (85/90) ======================= q-point: ( 0.14 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 8.495 8.608 -8.141) 14.578 2.772 ( 7.073 10.272 9.849) 15.892 2.969 ( 3.560 17.486 2.705) 18.049 3.106 ( 12.972 11.105 -6.365) 18.223 3.292 ( -6.581 -8.160 -0.849) 10.518 3.380 ( -1.919 -1.817 -1.521) 3.049 3.488 ( -3.208 -9.909 -1.026) 10.466 3.535 ( 0.464 0.387 -5.284) 5.318 3.605 ( 9.228 1.897 4.360) 10.380 3.773 ( 9.854 -5.623 -1.934) 11.509 3.974 ( 0.829 -4.538 -0.377) 4.629 3.986 ( 0.504 1.106 4.553) 4.712 4.127 ( -3.631 -2.616 -4.014) 6.012 4.309 ( 4.150 -0.316 -1.982) 4.610 4.317 ( 4.698 0.285 3.021) 5.593 4.406 ( 2.920 -4.044 -2.942) 5.791 4.539 ( -1.407 1.459 6.205) 6.528 4.626 ( 1.583 -2.616 2.872) 4.195 4.753 ( -4.177 1.488 4.706) 6.466 4.844 ( 1.038 -4.690 1.478) 5.026 5.157 ( -2.850 6.325 0.554) 6.960 5.299 ( 2.620 4.520 3.322) 6.192 5.355 ( 1.510 -7.870 -1.708) 8.194 5.448 ( 1.722 -6.626 -3.258) 7.582 5.484 ( -2.531 14.381 4.333) 15.232 5.604 ( -0.138 8.473 -10.221) 13.277 5.965 ( -0.531 -6.516 -5.918) 8.819 5.994 ( -4.494 4.809 3.731) 7.566 6.040 ( 2.542 -5.987 -0.359) 6.514 6.200 ( -0.925 12.176 -1.619) 12.318 6.333 ( -3.261 5.693 -1.559) 6.743 6.420 ( -2.634 0.942 -0.771) 2.901 6.486 ( -2.557 -3.684 1.495) 4.727 6.573 ( 2.291 -5.844 0.478) 6.295 6.811 ( 0.362 0.483 -0.369) 0.707 6.862 ( -5.893 -2.627 1.417) 6.606 6.967 ( 8.199 4.113 2.029) 9.395 7.156 ( 2.991 -2.780 1.005) 4.205 7.358 ( 0.451 8.316 4.580) 9.505 7.448 ( 6.212 1.814 -2.077) 6.796 7.868 ( 0.417 -2.878 -4.125) 5.047 7.943 ( 5.573 -4.469 5.694) 9.136 8.300 ( -1.993 2.665 -1.313) 3.577 8.307 ( 1.437 0.365 6.305) 6.477 8.415 ( -4.081 -3.282 -7.287) 8.974 8.432 ( -0.747 -5.873 7.891) 9.865 8.602 ( -0.670 -0.268 -4.296) 4.356 8.706 ( -0.063 -0.504 -0.677) 0.846 8.971 ( -5.216 -1.527 -5.124) 7.469 9.063 ( -0.210 0.221 6.550) 6.557 9.170 ( -5.210 -0.431 -6.444) 8.298 9.284 ( 3.416 -0.665 4.200) 5.455 9.587 ( -1.076 -0.519 -1.141) 1.652 9.633 ( 1.817 -0.576 -0.175) 1.914 9.853 ( 1.295 1.499 3.885) 4.361 10.045 ( 1.059 1.991 -6.924) 7.282 10.318 ( -6.021 -0.315 4.104) 7.293 10.491 ( -1.555 -1.544 -5.494) 5.915 10.672 ( 0.560 2.173 4.117) 4.689 10.690 ( 1.922 0.924 -0.148) 2.137 11.034 ( 2.143 0.314 -2.108) 3.022 11.205 ( 8.061 0.800 3.077) 8.665 11.848 ( -2.925 0.631 3.132) 4.332 11.999 ( 2.031 -1.075 -4.618) 5.158 12.201 ( -2.313 -1.132 -2.136) 3.346 12.206 ( -1.167 -1.576 2.431) 3.123 12.884 ( -5.320 8.331 4.991) 11.074 12.980 ( -1.110 5.552 0.727) 5.708 13.029 ( -3.768 -2.758 0.504) 4.697 13.245 ( 1.551 -0.347 -7.003) 7.181 13.437 ( -5.888 1.825 -1.022) 6.249 13.498 ( -2.454 -0.332 -1.150) 2.730 13.893 ( -6.605 -0.980 1.895) 6.941 14.069 ( -6.689 3.008 2.554) 7.766 14.151 ( -2.605 4.267 7.142) 8.718 14.375 ( 7.035 3.671 -3.629) 8.725 14.498 ( 1.566 -4.182 -1.145) 4.610 14.791 ( 10.465 -2.058 -2.055) 10.861 15.107 ( -7.609 2.179 -7.916) 11.195 15.413 ( -1.929 -1.281 4.174) 4.773 15.448 ( 8.144 -1.657 0.597) 8.332 15.603 ( 4.423 1.727 -1.375) 4.943 15.888 ( 1.872 0.505 -2.024) 2.803 15.979 ( 6.036 0.650 7.993) 10.037 16.130 ( -10.719 -0.233 2.700) 11.056 16.346 ( -1.353 -1.267 -0.426) 1.902 16.509 ( 1.108 -3.105 -1.498) 3.621 16.697 ( 6.449 -1.845 -6.603) 9.413 17.266 ( -9.510 -0.515 -3.908) 10.294 17.279 ( -8.100 -0.407 10.209) 13.039 17.832 ( -5.784 1.957 7.199) 9.440 17.864 ( -3.546 -0.485 10.917) 11.489 17.908 ( -3.461 0.688 -3.390) 4.893 18.013 ( 3.713 -2.205 -9.348) 10.298 18.321 ( 3.996 -1.470 3.498) 5.510 18.410 ( 3.082 0.081 -17.595) 17.863 19.593 ( 0.540 4.545 3.173) 5.569 19.711 ( 0.056 0.527 0.132) 0.547 19.805 ( -0.233 3.230 6.710) 7.451 19.977 ( -0.018 -2.858 -5.021) 5.777 20.454 ( -0.725 1.121 0.675) 1.495 20.488 ( 0.292 -1.743 -0.464) 1.827 21.233 ( -0.317 -0.344 2.599) 2.641 21.387 ( 4.777 -2.005 -4.049) 6.575 21.601 ( -2.211 0.016 -3.321) 3.989 21.701 ( -6.263 0.289 4.295) 7.600 21.735 ( 6.433 -0.259 4.928) 8.107 22.010 ( 6.798 -0.289 -4.546) 8.184 ======================= Grid point 156 (86/90) ======================= q-point: ( 0.29 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 4.281 12.257 2.636) 13.248 2.923 ( 13.561 8.295 -8.250) 17.910 2.998 ( -3.079 8.396 5.097) 10.294 3.225 ( 0.278 -2.329 -3.152) 3.929 3.346 ( 2.020 -3.946 -3.557) 5.684 3.432 ( 2.630 -10.506 -0.524) 10.843 3.456 ( 14.351 7.295 1.417) 16.160 3.522 ( 0.595 8.050 -2.000) 8.316 3.757 ( 3.100 -3.562 -0.860) 4.800 3.845 ( 1.208 7.131 4.848) 8.707 3.989 ( -0.132 1.465 1.203) 1.900 4.069 ( 1.619 -6.829 -0.259) 7.024 4.119 ( 7.138 0.325 0.600) 7.171 4.344 ( 0.348 -8.157 -6.991) 10.749 4.383 ( 5.203 2.123 -0.955) 5.701 4.451 ( -2.090 2.791 7.829) 8.570 4.603 ( 4.971 -3.774 5.590) 8.379 4.703 ( 0.420 3.429 2.435) 4.227 4.726 ( 6.012 -3.759 -0.044) 7.091 4.900 ( 5.590 -11.139 -0.080) 12.463 5.099 ( -4.128 6.882 2.208) 8.324 5.282 ( -8.218 -5.011 7.264) 12.059 5.341 ( -1.802 0.846 -9.514) 9.721 5.423 ( 1.192 1.370 -1.837) 2.583 5.545 ( -1.463 9.256 -8.848) 12.889 5.564 ( 5.220 4.557 6.433) 9.455 5.827 ( -6.469 -3.512 -7.043) 10.188 6.012 ( 0.482 5.564 3.192) 6.433 6.075 ( 0.858 -0.081 -0.744) 1.139 6.185 ( 1.380 3.129 0.806) 3.514 6.260 ( -3.699 6.402 -2.731) 7.882 6.352 ( -3.997 1.255 1.352) 4.402 6.441 ( -2.674 -3.122 1.441) 4.356 6.573 ( -2.192 -10.345 -1.727) 10.714 6.751 ( -2.297 -1.198 2.874) 3.869 6.955 ( 9.373 0.198 1.550) 9.503 7.028 ( -2.384 7.619 -1.936) 8.215 7.269 ( 8.685 -4.450 0.824) 9.793 7.365 ( -1.511 5.609 6.790) 8.936 7.569 ( 6.643 -1.102 -2.104) 7.055 7.862 ( 0.503 1.829 -6.261) 6.542 8.069 ( 4.149 -4.533 1.595) 6.349 8.223 ( -5.516 -0.863 -5.434) 7.791 8.302 ( -0.247 2.875 0.461) 2.922 8.368 ( -0.500 -3.778 1.985) 4.297 8.504 ( 3.819 0.092 8.885) 9.671 8.592 ( 1.884 -1.649 -4.294) 4.970 8.655 ( -4.698 -0.276 3.239) 5.713 8.896 ( -0.792 -0.011 -3.436) 3.526 9.039 ( -3.812 -1.113 -3.236) 5.123 9.053 ( -4.865 -0.451 5.117) 7.075 9.342 ( 0.809 0.293 2.458) 2.604 9.528 ( -3.927 -0.238 -2.506) 4.665 9.659 ( 0.080 -0.064 -3.378) 3.380 9.956 ( 2.337 1.631 0.092) 2.852 9.959 ( -0.381 1.293 -1.297) 1.871 10.244 ( -4.044 0.395 5.037) 6.472 10.407 ( -3.333 -0.467 -6.175) 7.033 10.700 ( 0.307 1.749 3.805) 4.199 10.728 ( 1.759 -0.825 -0.192) 1.952 11.173 ( 12.743 0.146 -1.606) 12.845 11.390 ( 9.707 0.761 3.044) 10.201 11.811 ( -2.782 2.167 3.274) 4.812 11.978 ( -2.458 -2.705 -3.561) 5.103 12.139 ( -2.775 0.520 -3.044) 4.152 12.175 ( -4.156 -2.325 3.350) 5.822 12.806 ( -5.219 7.160 5.848) 10.617 12.933 ( -3.755 3.101 0.379) 4.885 12.977 ( -1.506 -0.139 -1.374) 2.043 13.192 ( -3.038 -1.427 -7.656) 8.360 13.328 ( -3.669 0.947 -1.174) 3.967 13.422 ( -5.235 -1.204 1.488) 5.574 13.798 ( -3.770 0.049 -0.540) 3.809 13.914 ( -8.133 -0.048 -0.405) 8.143 14.198 ( 2.695 7.495 8.442) 11.606 14.444 ( -1.103 -0.033 4.606) 4.736 14.559 ( 6.560 2.647 -6.837) 9.838 14.900 ( -1.692 -1.702 -5.109) 5.645 15.035 ( 7.552 1.981 -5.438) 9.515 15.396 ( -1.455 0.235 1.672) 2.229 15.567 ( 3.536 -3.201 0.707) 4.822 15.648 ( 1.146 -0.368 0.345) 1.252 15.940 ( -4.550 -2.344 2.279) 5.603 15.965 ( 1.079 -1.916 0.795) 2.338 16.179 ( 8.802 2.186 9.703) 13.282 16.335 ( 2.783 1.065 -4.281) 5.216 16.525 ( 0.671 -3.101 -0.203) 3.180 16.746 ( 1.964 0.302 -5.086) 5.460 17.054 ( -11.666 1.105 -2.397) 11.961 17.089 ( -13.839 -1.351 4.725) 14.686 17.739 ( -5.326 1.849 3.249) 6.507 17.779 ( -4.280 -0.389 -0.992) 4.410 17.928 ( -0.238 0.334 11.131) 11.138 18.092 ( 8.164 -3.014 -7.151) 11.264 18.364 ( -1.664 -1.822 3.297) 4.118 18.375 ( 2.163 0.231 -16.198) 16.343 19.610 ( -1.440 4.018 2.659) 5.028 19.666 ( -2.850 -1.076 2.305) 3.820 19.880 ( 4.115 6.096 0.196) 7.358 19.967 ( 0.904 -2.208 -0.104) 2.388 20.442 ( -0.513 1.510 -0.088) 1.597 20.483 ( -0.868 -2.109 0.173) 2.287 21.264 ( 2.107 -0.609 2.294) 3.174 21.437 ( 1.928 -2.712 -3.544) 4.861 21.564 ( -0.269 0.655 -2.272) 2.380 21.620 ( -3.672 0.044 1.971) 4.168 21.883 ( 6.101 -0.600 5.808) 8.444 22.104 ( 5.113 -0.664 -4.441) 6.805 ======================= Grid point 157 (87/90) ======================= q-point: ( 0.43 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( -4.078 3.069 6.366) 8.159 2.965 ( 3.062 10.201 3.962) 11.364 3.085 ( 7.545 4.771 -10.691) 13.928 3.198 ( -1.964 1.866 -6.557) 7.094 3.375 ( 2.913 -3.706 -1.327) 4.897 3.418 ( -0.968 -7.288 -1.250) 7.458 3.565 ( 3.844 11.275 2.083) 12.093 3.679 ( 0.632 -1.460 -2.569) 3.022 3.813 ( 7.168 8.590 2.206) 11.404 3.885 ( 0.904 10.597 2.881) 11.018 4.002 ( 3.087 -3.369 -2.446) 5.183 4.100 ( -5.614 -0.880 0.483) 5.703 4.220 ( 7.608 -6.601 4.225) 10.922 4.358 ( -2.311 -6.187 2.006) 6.903 4.400 ( -0.448 1.327 2.173) 2.586 4.466 ( 3.514 1.178 -3.938) 5.408 4.647 ( -2.125 -6.045 13.441) 14.890 4.806 ( 5.713 -0.666 0.394) 5.766 4.859 ( 7.320 8.309 -4.379) 11.908 5.016 ( -10.202 2.051 8.132) 13.207 5.071 ( 11.933 -9.508 -4.887) 16.021 5.136 ( -5.181 -0.610 -0.020) 5.217 5.217 ( -3.593 -1.470 -5.621) 6.831 5.395 ( -5.144 -6.043 -6.699) 10.385 5.496 ( 0.828 6.090 -1.303) 6.282 5.608 ( -4.875 0.566 -1.927) 5.272 5.792 ( 7.488 3.716 2.436) 8.707 6.005 ( -2.162 9.367 2.184) 9.858 6.090 ( -1.022 0.536 -0.533) 1.271 6.145 ( -3.547 -0.887 -1.279) 3.874 6.254 ( 1.636 2.640 -1.197) 3.328 6.301 ( -0.360 2.243 0.150) 2.276 6.428 ( 1.568 -3.645 0.608) 4.014 6.500 ( -3.490 -6.497 -1.415) 7.509 6.780 ( 2.368 -1.635 4.426) 5.279 6.943 ( -4.032 4.245 -3.598) 6.872 7.141 ( 7.960 -0.672 2.788) 8.461 7.268 ( -5.234 2.711 3.459) 6.834 7.522 ( 9.496 0.035 4.330) 10.437 7.651 ( 2.405 -2.248 1.704) 3.707 7.802 ( -3.708 2.686 -5.224) 6.946 7.988 ( -7.815 -3.845 -12.129) 14.932 8.194 ( 3.000 -0.116 2.111) 3.670 8.280 ( -4.062 -0.507 0.914) 4.194 8.431 ( 6.295 0.600 4.568) 7.801 8.542 ( -3.866 1.060 5.670) 6.944 8.606 ( 2.810 0.261 -5.175) 5.894 8.648 ( -1.378 0.193 1.957) 2.402 8.893 ( 3.617 0.252 -3.190) 4.829 8.972 ( -5.658 -0.205 2.602) 6.231 9.064 ( 7.324 -2.431 7.104) 10.489 9.355 ( 0.448 0.801 0.575) 1.083 9.442 ( -3.194 -0.008 -3.158) 4.492 9.511 ( -10.893 -0.763 -9.440) 14.435 9.945 ( 1.769 1.243 5.896) 6.280 10.067 ( 3.358 2.858 -3.736) 5.779 10.210 ( -2.538 -0.545 6.364) 6.873 10.340 ( 0.336 -0.386 -6.993) 7.012 10.719 ( 0.028 1.634 3.110) 3.513 10.751 ( 0.931 -1.326 -0.390) 1.667 11.428 ( 12.659 0.780 0.306) 12.687 11.558 ( 4.344 0.462 0.578) 4.406 11.780 ( -1.256 3.193 2.675) 4.351 11.883 ( -5.100 -1.985 -3.023) 6.252 12.065 ( -5.577 -1.280 3.715) 6.822 12.106 ( -0.129 -0.952 -4.241) 4.348 12.760 ( -2.606 4.868 6.974) 8.895 12.873 ( -1.809 2.689 -1.451) 3.551 12.955 ( -0.280 0.458 0.513) 0.742 13.085 ( -3.575 -2.093 -7.668) 8.715 13.319 ( 3.055 -0.190 -1.804) 3.553 13.333 ( -5.162 -1.008 3.635) 6.394 13.749 ( -1.642 1.524 0.606) 2.321 13.787 ( -4.301 -1.011 -1.169) 4.571 14.317 ( 5.490 8.338 5.995) 11.645 14.412 ( -3.500 3.185 4.841) 6.770 14.632 ( 3.658 1.746 -4.853) 6.323 14.813 ( -2.070 -2.247 -10.530) 10.965 15.186 ( 7.474 2.291 0.603) 7.840 15.337 ( -5.195 -0.533 -0.709) 5.270 15.617 ( 1.999 -2.511 0.193) 3.215 15.652 ( -0.558 -2.468 -0.256) 2.543 15.909 ( 1.782 -3.191 2.098) 4.214 15.974 ( -1.852 -2.391 0.604) 3.084 16.370 ( 2.350 1.804 12.474) 12.821 16.426 ( 8.543 3.628 -5.201) 10.640 16.525 ( -1.732 -1.483 6.335) 6.733 16.729 ( -4.088 0.746 1.760) 4.513 16.813 ( -11.234 -0.157 3.599) 11.798 16.918 ( 1.360 -1.235 -17.352) 17.449 17.680 ( -2.494 1.156 2.660) 3.825 17.722 ( -0.815 -0.214 -2.188) 2.344 17.979 ( -0.294 0.485 12.420) 12.433 18.210 ( 5.999 -3.042 -6.380) 9.271 18.292 ( -7.888 -2.436 5.692) 10.028 18.353 ( 4.783 0.355 -15.766) 16.479 19.551 ( -6.244 1.485 9.873) 11.776 19.671 ( 3.781 1.650 -8.322) 9.288 19.933 ( 0.715 2.898 4.504) 5.403 20.004 ( 2.502 2.112 -2.315) 4.010 20.438 ( -0.375 0.316 0.886) 1.012 20.459 ( -1.246 -1.121 -0.049) 1.677 21.320 ( 2.308 -1.920 2.558) 3.944 21.419 ( -1.991 -1.804 -1.847) 3.260 21.565 ( 1.063 0.568 -1.298) 1.772 21.582 ( -0.972 0.037 -0.896) 1.323 22.001 ( 3.072 -0.706 6.076) 6.845 22.146 ( 1.493 -1.085 -4.857) 5.196 ======================= Grid point 158 (88/90) ======================= q-point: (-0.43 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( -6.623 6.510 7.428) 11.892 3.050 ( 3.415 7.334 0.776) 8.128 3.085 ( -4.665 8.367 -5.753) 11.175 3.164 ( 5.103 -0.956 -7.340) 8.991 3.374 ( -3.069 -5.700 -0.745) 6.517 3.415 ( 1.986 -4.429 -1.797) 5.176 3.601 ( -4.974 6.779 -0.792) 8.445 3.644 ( 0.401 2.747 0.877) 2.911 3.828 ( -3.619 10.502 0.386) 11.115 3.940 ( -4.189 5.094 -0.685) 6.631 3.980 ( 1.275 -2.105 -2.860) 3.773 4.078 ( 3.953 -2.860 1.831) 5.211 4.231 ( -8.785 -2.542 4.148) 10.042 4.357 ( 2.218 -6.532 4.086) 8.018 4.379 ( -5.087 -9.355 -1.267) 10.724 4.544 ( 7.812 6.877 -8.502) 13.439 4.711 ( 0.482 0.419 10.115) 10.135 4.747 ( -16.915 0.749 11.708) 20.585 4.831 ( -0.227 -0.151 -3.870) 3.880 4.958 ( -3.090 8.541 -0.406) 9.092 5.021 ( 0.165 4.287 1.350) 4.498 5.194 ( -6.059 -9.941 -1.449) 11.732 5.277 ( 7.027 -4.172 -7.354) 10.994 5.327 ( 10.432 -11.662 -0.674) 15.662 5.501 ( -3.050 5.202 -0.651) 6.065 5.549 ( 2.924 0.923 1.374) 3.361 5.891 ( -5.721 5.201 -6.001) 9.787 5.992 ( 9.030 6.160 1.749) 11.070 6.070 ( -2.970 0.597 2.357) 3.838 6.125 ( 2.425 0.154 1.194) 2.708 6.228 ( -2.845 6.586 0.913) 7.232 6.345 ( 3.892 1.792 -3.646) 5.626 6.453 ( -0.275 -5.345 -1.938) 5.692 6.497 ( 4.645 -5.726 -1.282) 7.484 6.856 ( -0.816 1.285 0.304) 1.552 6.858 ( 0.671 1.351 1.360) 2.031 7.155 ( -7.406 4.015 2.296) 8.732 7.265 ( 2.862 -3.098 2.987) 5.169 7.618 ( -2.855 4.110 5.008) 7.080 7.632 ( -6.876 2.772 -4.907) 8.891 7.765 ( -0.805 -4.156 3.978) 5.809 7.815 ( -0.703 -6.243 -1.534) 6.467 8.220 ( -1.268 0.420 -0.900) 1.611 8.285 ( 5.574 -0.375 -0.019) 5.587 8.458 ( -6.182 0.641 3.586) 7.176 8.567 ( -3.311 1.177 -2.249) 4.172 8.601 ( 5.441 -0.064 6.050) 8.138 8.654 ( 4.981 0.997 -5.434) 7.439 8.856 ( -6.981 -0.186 0.110) 6.984 9.011 ( 8.048 -0.087 -1.266) 8.147 9.229 ( -8.311 0.244 -6.679) 10.665 9.318 ( 10.422 -2.101 8.237) 13.449 9.395 ( 0.056 0.115 -2.951) 2.954 9.417 ( 4.182 -0.419 -1.405) 4.432 9.982 ( -2.074 1.745 5.083) 5.760 10.047 ( -2.260 2.267 -4.646) 5.642 10.214 ( 0.508 -0.901 6.148) 6.235 10.345 ( 2.611 -0.122 -7.454) 7.899 10.732 ( -0.026 1.808 1.980) 2.681 10.762 ( 0.616 -1.162 -1.449) 1.957 11.444 ( -13.582 -0.074 -1.178) 13.633 11.554 ( -2.529 0.749 0.810) 2.759 11.775 ( 1.316 3.200 3.094) 4.641 11.886 ( 5.245 -1.610 -3.073) 6.288 12.023 ( 0.684 0.300 3.108) 3.197 12.160 ( 6.680 -1.711 -4.879) 8.447 12.778 ( 0.618 2.936 7.637) 8.205 12.865 ( 2.241 3.718 -2.656) 5.089 12.971 ( 0.394 0.706 1.769) 1.945 13.021 ( 1.075 -1.881 -4.359) 4.867 13.277 ( -1.500 -0.192 2.097) 2.585 13.389 ( 4.388 -1.185 -2.069) 4.994 13.713 ( -1.847 0.417 2.860) 3.430 13.786 ( 3.246 0.247 0.814) 3.356 14.341 ( -2.671 7.286 1.344) 7.875 14.485 ( 7.505 8.261 0.014) 11.161 14.653 ( -0.092 -1.146 1.772) 2.112 14.720 ( -2.425 -3.378 -10.530) 11.322 15.175 ( -9.022 0.251 1.260) 9.113 15.333 ( 4.705 0.585 0.118) 4.743 15.612 ( -1.595 -0.319 0.333) 1.661 15.666 ( 1.435 -4.263 -1.438) 4.722 15.940 ( 0.380 -1.784 -1.344) 2.266 15.995 ( 4.893 -3.187 -1.303) 5.983 16.279 ( -12.719 3.212 9.630) 16.273 16.520 ( -0.145 -1.659 1.778) 2.436 16.544 ( -4.488 1.952 12.266) 13.207 16.600 ( -6.068 -0.836 -1.566) 6.323 16.795 ( 9.458 0.961 -2.956) 9.955 17.020 ( 15.230 -0.492 -15.226) 21.541 17.667 ( -0.161 0.729 2.660) 2.763 17.732 ( 2.905 0.140 -1.955) 3.504 18.034 ( -0.217 0.505 12.293) 12.305 18.135 ( -10.468 -2.039 5.926) 12.200 18.227 ( 0.875 -1.911 -10.771) 10.975 18.420 ( 6.766 -1.008 -9.554) 11.751 19.505 ( -3.047 1.524 9.655) 10.239 19.707 ( 3.394 1.125 -6.718) 7.610 19.947 ( -1.199 4.186 2.046) 4.811 20.021 ( 1.019 1.277 -3.453) 3.820 20.419 ( -1.567 -0.658 2.454) 2.985 20.462 ( 0.955 -0.365 -0.091) 1.026 21.353 ( -1.830 -1.388 1.670) 2.840 21.375 ( -0.275 -2.195 -0.026) 2.213 21.557 ( -1.178 0.336 -0.970) 1.562 21.593 ( 2.578 0.218 -1.297) 2.894 22.046 ( -1.360 -0.474 5.948) 6.120 22.109 ( -2.770 -1.392 -5.583) 6.385 ======================= Grid point 159 (89/90) ======================= q-point: (-0.29 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -12.221 9.314 7.677) 17.177 2.970 ( -3.641 15.824 -4.314) 16.801 3.082 ( -0.865 8.336 -0.941) 8.434 3.228 ( 3.810 -4.210 -4.352) 7.154 3.299 ( -5.608 -0.362 -0.028) 5.620 3.443 ( 2.068 -11.286 -2.345) 11.711 3.488 ( -5.355 5.044 -1.034) 7.429 3.543 ( -8.129 0.254 -3.992) 9.060 3.781 ( -1.291 4.024 -2.507) 4.914 3.888 ( -0.887 -1.280 6.116) 6.311 3.962 ( -2.577 3.805 -5.926) 7.499 4.063 ( -6.283 -4.024 1.571) 7.625 4.185 ( 2.395 -3.237 2.053) 4.520 4.227 ( -7.430 -4.802 -0.725) 8.876 4.354 ( -4.888 -2.443 1.967) 5.808 4.501 ( -11.346 1.537 6.857) 13.346 4.608 ( 0.197 6.167 -3.752) 7.222 4.704 ( -2.939 2.489 3.794) 5.406 4.822 ( -7.803 -11.771 1.204) 14.174 4.866 ( 4.848 4.090 -3.456) 7.223 5.082 ( 3.524 4.961 4.474) 7.553 5.181 ( 1.734 -3.865 3.242) 5.334 5.339 ( -0.374 -5.873 3.813) 7.012 5.464 ( 0.588 9.917 1.052) 9.990 5.475 ( 6.219 -5.181 -9.970) 12.842 5.668 ( 6.686 -3.756 7.559) 10.768 5.758 ( -2.730 4.728 -11.866) 13.062 6.017 ( -2.198 4.671 1.949) 5.518 6.130 ( -0.023 5.760 -4.265) 7.167 6.170 ( 4.707 2.355 2.215) 5.710 6.231 ( 3.361 6.007 0.821) 6.932 6.382 ( 1.457 2.635 -2.032) 3.632 6.460 ( 1.324 -7.961 -1.345) 8.182 6.566 ( 2.780 -6.824 -0.948) 7.429 6.800 ( 0.022 0.593 -2.388) 2.461 6.920 ( -1.970 1.476 4.200) 4.869 7.034 ( -2.388 8.409 -1.305) 8.838 7.277 ( -4.186 -7.847 1.002) 8.950 7.463 ( -6.012 5.147 -3.258) 8.559 7.503 ( -9.034 3.815 4.567) 10.818 7.747 ( -1.125 -1.734 4.656) 5.094 7.907 ( 2.197 -10.998 12.595) 16.865 8.218 ( 0.649 1.638 0.657) 1.880 8.331 ( -6.476 0.514 -3.642) 7.448 8.391 ( 5.134 -0.986 -0.005) 5.228 8.534 ( 1.277 -0.119 0.212) 1.300 8.655 ( -1.294 0.559 -4.494) 4.710 8.703 ( -3.189 -0.735 -0.932) 3.402 8.805 ( 6.484 0.264 3.859) 7.550 9.088 ( -2.021 -0.342 -6.788) 7.091 9.147 ( 6.663 0.193 -4.054) 7.801 9.394 ( 1.391 0.275 -3.621) 3.889 9.498 ( 4.923 0.530 1.450) 5.159 9.540 ( 5.050 -2.111 6.925) 8.827 9.933 ( -3.630 1.306 1.733) 4.229 9.975 ( -2.601 0.974 -1.491) 3.153 10.290 ( 3.752 -0.334 5.996) 7.081 10.357 ( 2.858 0.171 -6.526) 7.127 10.726 ( -1.572 1.126 0.155) 1.939 10.757 ( -0.525 0.122 -1.745) 1.827 11.169 ( -12.471 -0.252 -1.130) 12.524 11.419 ( -9.174 1.449 0.094) 9.288 11.856 ( 4.156 3.756 0.391) 5.616 11.951 ( 3.047 -4.162 -2.328) 5.659 12.085 ( 3.167 2.242 1.886) 4.315 12.243 ( 3.348 -3.266 -3.200) 5.667 12.842 ( 2.367 3.371 5.842) 7.149 12.935 ( 5.961 3.495 -1.765) 7.132 12.975 ( 1.065 4.860 -1.827) 5.300 13.079 ( 3.562 -3.651 2.286) 5.590 13.319 ( 5.344 1.408 -0.242) 5.532 13.453 ( 3.562 -1.683 -1.737) 4.305 13.730 ( 1.672 -0.472 5.552) 5.818 13.882 ( 5.001 0.387 4.651) 6.840 14.307 ( -0.058 9.909 -4.544) 10.902 14.551 ( -0.295 3.774 -5.699) 6.842 14.586 ( -3.669 -2.075 -8.101) 9.132 14.761 ( 7.315 -1.969 7.655) 10.770 14.980 ( -11.876 -1.799 0.616) 12.028 15.385 ( 0.334 0.959 2.538) 2.733 15.586 ( -1.432 0.430 -0.911) 1.751 15.652 ( -2.933 -3.099 -0.115) 4.269 15.964 ( -7.350 1.177 0.125) 7.445 16.008 ( 7.582 -1.290 -3.113) 8.297 16.210 ( 2.416 -0.758 5.402) 5.967 16.352 ( -10.656 -1.043 -4.320) 11.546 16.510 ( -2.355 2.131 2.236) 3.885 16.604 ( -0.209 -4.238 6.217) 7.527 16.997 ( 10.380 0.394 1.406) 10.482 17.265 ( 15.778 0.450 -9.955) 18.661 17.708 ( 3.188 1.725 3.422) 4.985 17.809 ( 5.921 -0.196 -1.880) 6.215 17.974 ( -8.964 -2.232 5.793) 10.904 18.085 ( -0.631 0.416 12.011) 12.035 18.180 ( 0.198 -1.211 -12.445) 12.506 18.464 ( 2.111 -0.949 -7.957) 8.287 19.533 ( 1.299 2.441 7.187) 7.700 19.714 ( -1.431 -0.415 0.387) 1.540 19.912 ( -1.657 7.145 -3.153) 7.984 20.015 ( 0.456 -2.514 -4.499) 5.174 20.420 ( 0.363 -0.221 2.398) 2.435 20.476 ( 0.242 -0.803 0.625) 1.046 21.303 ( -2.381 1.484 -0.792) 2.915 21.373 ( -1.701 -4.465 2.106) 5.222 21.534 ( -0.906 0.432 0.700) 1.224 21.655 ( 4.541 0.202 -1.394) 4.754 21.997 ( -5.594 -1.059 -5.120) 7.656 22.012 ( -5.087 -0.453 4.253) 6.646 ======================= Grid point 160 (90/90) ======================= q-point: (-0.14 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( -8.207 10.721 8.139) 15.765 2.917 ( -0.138 18.526 -4.410) 19.044 2.992 ( -11.936 9.728 3.743) 15.846 3.074 ( -9.641 5.489 -6.890) 13.059 3.278 ( 3.105 -0.276 0.155) 3.121 3.433 ( 4.567 -6.775 -6.523) 10.455 3.474 ( -0.598 -2.273 1.108) 2.599 3.495 ( 2.438 -9.372 -2.109) 9.911 3.678 ( -6.579 -0.395 -4.287) 7.862 3.803 ( -10.602 -1.072 -4.130) 11.428 3.965 ( -3.145 -5.186 1.353) 6.214 4.002 ( 5.500 -1.870 7.975) 9.867 4.106 ( -2.512 1.082 -7.506) 7.989 4.248 ( 0.109 -4.195 6.097) 7.402 4.258 ( -3.839 -0.262 5.099) 6.388 4.376 ( -4.578 -0.210 1.409) 4.795 4.584 ( -1.487 3.106 2.416) 4.206 4.665 ( -2.593 0.511 -0.129) 2.646 4.748 ( -1.309 -6.726 2.173) 7.188 4.921 ( 1.313 4.305 -3.833) 5.912 5.134 ( 0.531 8.161 4.725) 9.445 5.231 ( 1.535 -3.617 2.382) 4.595 5.331 ( -1.008 -6.072 3.719) 7.191 5.468 ( -1.540 -2.362 -7.465) 7.980 5.511 ( 2.123 8.954 0.883) 9.244 5.688 ( 1.447 6.318 -13.696) 15.152 5.826 ( 5.235 -2.621 7.001) 9.126 6.007 ( -0.080 0.417 3.419) 3.445 6.110 ( 1.686 6.925 -6.893) 9.916 6.212 ( -0.398 3.996 -2.154) 4.557 6.310 ( 3.868 2.021 0.682) 4.418 6.389 ( 0.007 2.738 2.214) 3.521 6.489 ( 2.119 -6.687 0.536) 7.035 6.584 ( -0.370 -4.289 -1.088) 4.440 6.803 ( -2.737 3.482 0.436) 4.450 6.895 ( 5.644 -1.649 -1.678) 6.115 7.008 ( -4.518 5.776 -2.164) 7.646 7.173 ( -4.950 -4.664 -0.894) 6.860 7.318 ( -7.471 5.526 7.389) 11.872 7.434 ( -2.548 4.679 1.048) 5.430 7.759 ( 0.490 -4.316 5.357) 6.897 7.967 ( -2.282 -9.522 8.114) 12.716 8.223 ( -2.717 1.442 4.366) 5.340 8.258 ( 2.336 -0.190 0.701) 2.446 8.452 ( 1.249 -2.444 -3.141) 4.171 8.565 ( -2.263 -1.721 -4.365) 5.210 8.593 ( 4.430 -0.703 -1.869) 4.860 8.685 ( -0.901 0.607 0.139) 1.095 8.939 ( 5.418 0.306 0.035) 5.427 9.074 ( 2.042 -0.284 1.288) 2.431 9.195 ( 0.609 -0.584 -6.348) 6.404 9.377 ( -1.365 0.247 -5.722) 5.888 9.571 ( 2.186 -0.470 0.982) 2.442 9.596 ( -0.400 -1.630 3.493) 3.875 9.910 ( 0.823 2.431 -0.667) 2.652 9.937 ( -1.902 -0.214 2.435) 3.098 10.382 ( 2.269 -0.718 5.965) 6.422 10.407 ( 5.383 -0.406 -5.252) 7.532 10.678 ( -3.034 1.329 0.191) 3.318 10.722 ( -2.203 0.983 -0.118) 2.415 11.027 ( -1.825 1.261 -1.525) 2.692 11.250 ( -8.354 1.022 -1.213) 8.504 11.908 ( 1.095 2.017 0.150) 2.300 11.966 ( 0.561 -2.540 -4.368) 5.084 12.149 ( 2.537 1.936 2.606) 4.120 12.261 ( 0.551 -4.452 -2.628) 5.198 12.910 ( 2.003 4.652 4.030) 6.473 12.983 ( 0.488 6.925 -0.606) 6.969 13.056 ( 5.741 3.098 0.136) 6.524 13.137 ( 1.930 -4.032 0.422) 4.490 13.437 ( 6.243 2.796 -1.101) 6.929 13.507 ( 2.677 -1.172 -1.697) 3.379 13.835 ( 6.324 -0.715 7.256) 9.652 13.994 ( 2.554 -0.149 8.810) 9.174 14.286 ( 0.177 10.550 -6.753) 12.528 14.430 ( -5.054 4.195 -8.095) 10.425 14.558 ( 2.318 -5.944 -6.353) 9.003 14.727 ( -14.208 -5.821 5.301) 16.243 14.988 ( 11.571 0.776 3.820) 12.210 15.401 ( 0.432 1.696 1.902) 2.584 15.516 ( -5.275 -2.588 -3.414) 6.795 15.571 ( -5.077 2.149 1.997) 5.863 15.851 ( -3.296 0.938 1.991) 3.963 16.093 ( -7.301 2.193 -2.882) 8.150 16.210 ( 8.585 -1.002 -5.937) 10.486 16.308 ( 2.250 -1.705 3.899) 4.813 16.490 ( 0.569 0.770 -0.238) 0.986 16.598 ( -3.071 -6.817 3.327) 8.184 17.171 ( 6.352 -0.474 5.482) 8.404 17.458 ( 7.370 -0.008 -7.419) 10.457 17.785 ( -0.763 3.439 7.467) 8.256 17.854 ( -0.027 -2.839 5.403) 6.103 17.965 ( 7.805 0.163 -5.574) 9.592 18.117 ( -0.943 -0.848 -8.093) 8.192 18.123 ( -1.225 -0.417 9.106) 9.197 18.441 ( 1.074 -0.465 -10.961) 11.024 19.588 ( 0.503 5.425 3.965) 6.738 19.669 ( -3.085 -0.842 3.556) 4.782 19.870 ( -2.278 4.093 0.911) 4.772 20.003 ( 1.489 -3.446 -7.685) 8.553 20.444 ( 0.773 -0.658 1.941) 2.191 20.479 ( -0.023 -0.238 0.139) 0.277 21.271 ( -0.832 1.733 0.367) 1.957 21.333 ( -2.496 -4.036 -0.172) 4.749 21.543 ( 1.241 0.175 2.781) 3.051 21.729 ( 2.182 0.452 -0.504) 2.285 21.873 ( -2.338 -0.991 -7.603) 8.016 21.919 ( -6.908 0.060 4.899) 8.469 =================== 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 3/34020 10.0 4083.834 1962.044 3612.132 0.000 768.214 0.000 3/34020 20.0 888.466 798.665 961.634 0.000 33.176 0.000 3/34020 30.0 286.688 291.793 275.616 0.000 -6.281 0.000 3/34020 40.0 132.408 140.255 121.520 0.000 -6.198 0.000 3/34020 50.0 76.434 82.260 68.915 0.000 -4.437 0.000 3/34020 60.0 50.621 54.909 45.342 0.000 -3.216 0.000 3/34020 70.0 36.667 39.945 32.776 0.000 -2.432 0.000 3/34020 80.0 28.254 30.849 25.247 0.000 -1.915 0.000 3/34020 90.0 22.762 24.874 20.347 0.000 -1.560 0.000 3/34020 100.0 18.956 20.713 16.955 0.000 -1.306 0.000 3/34020 110.0 16.192 17.679 14.492 0.000 -1.118 0.000 3/34020 120.0 14.108 15.385 12.635 0.000 -0.975 0.000 3/34020 130.0 12.489 13.599 11.192 0.000 -0.863 0.000 3/34020 140.0 11.198 12.174 10.043 0.000 -0.774 0.000 3/34020 150.0 10.149 11.014 9.108 0.000 -0.702 0.000 3/34020 160.0 9.279 10.053 8.334 0.000 -0.642 0.000 3/34020 170.0 8.549 9.245 7.684 0.000 -0.592 0.000 3/34020 180.0 7.926 8.558 7.130 0.000 -0.549 0.000 3/34020 190.0 7.390 7.966 6.653 0.000 -0.513 0.000 3/34020 200.0 6.924 7.451 6.237 0.000 -0.482 0.000 3/34020 210.0 6.514 6.999 5.873 0.000 -0.454 0.000 3/34020 220.0 6.152 6.600 5.550 0.000 -0.430 0.000 3/34020 230.0 5.829 6.245 5.263 0.000 -0.409 0.000 3/34020 240.0 5.539 5.927 5.005 0.000 -0.390 0.000 3/34020 250.0 5.278 5.641 4.772 0.000 -0.372 0.000 3/34020 260.0 5.041 5.381 4.561 0.000 -0.357 0.000 3/34020 270.0 4.825 5.145 4.369 0.000 -0.342 0.000 3/34020 280.0 4.628 4.930 4.193 0.000 -0.329 0.000 3/34020 290.0 4.447 4.732 4.031 0.000 -0.317 0.000 3/34020 300.0 4.280 4.550 3.882 0.000 -0.306 0.000 3/34020 310.0 4.125 4.382 3.744 0.000 -0.296 0.000 3/34020 320.0 3.982 4.226 3.615 0.000 -0.286 0.000 3/34020 330.0 3.848 4.081 3.496 0.000 -0.278 0.000 3/34020 340.0 3.724 3.946 3.385 0.000 -0.269 0.000 3/34020 350.0 3.607 3.820 3.280 0.000 -0.261 0.000 3/34020 360.0 3.498 3.702 3.182 0.000 -0.254 0.000 3/34020 370.0 3.396 3.592 3.090 0.000 -0.247 0.000 3/34020 380.0 3.299 3.488 3.004 0.000 -0.241 0.000 3/34020 390.0 3.208 3.390 2.922 0.000 -0.235 0.000 3/34020 400.0 3.122 3.297 2.845 0.000 -0.229 0.000 3/34020 410.0 3.041 3.210 2.771 0.000 -0.223 0.000 3/34020 420.0 2.964 3.127 2.702 0.000 -0.218 0.000 3/34020 430.0 2.890 3.048 2.636 0.000 -0.213 0.000 3/34020 440.0 2.821 2.974 2.573 0.000 -0.208 0.000 3/34020 450.0 2.755 2.903 2.514 0.000 -0.204 0.000 3/34020 460.0 2.691 2.835 2.457 0.000 -0.199 0.000 3/34020 470.0 2.631 2.771 2.402 0.000 -0.195 0.000 3/34020 480.0 2.574 2.709 2.350 0.000 -0.191 0.000 3/34020 490.0 2.519 2.651 2.301 0.000 -0.187 0.000 3/34020 500.0 2.466 2.594 2.253 0.000 -0.183 0.000 3/34020 510.0 2.415 2.540 2.207 0.000 -0.180 0.000 3/34020 520.0 2.367 2.489 2.164 0.000 -0.176 0.000 3/34020 530.0 2.321 2.439 2.122 0.000 -0.173 0.000 3/34020 540.0 2.276 2.392 2.081 0.000 -0.170 0.000 3/34020 550.0 2.233 2.346 2.042 0.000 -0.167 0.000 3/34020 560.0 2.192 2.302 2.005 0.000 -0.164 0.000 3/34020 570.0 2.152 2.260 1.969 0.000 -0.161 0.000 3/34020 580.0 2.114 2.219 1.934 0.000 -0.159 0.000 3/34020 590.0 2.077 2.180 1.900 0.000 -0.156 0.000 3/34020 600.0 2.041 2.142 1.868 0.000 -0.153 0.000 3/34020 610.0 2.006 2.106 1.837 0.000 -0.151 0.000 3/34020 620.0 1.973 2.070 1.806 0.000 -0.148 0.000 3/34020 630.0 1.941 2.036 1.777 0.000 -0.146 0.000 3/34020 640.0 1.910 2.003 1.749 0.000 -0.144 0.000 3/34020 650.0 1.880 1.971 1.721 0.000 -0.142 0.000 3/34020 660.0 1.850 1.940 1.695 0.000 -0.140 0.000 3/34020 670.0 1.822 1.910 1.669 0.000 -0.138 0.000 3/34020 680.0 1.795 1.881 1.644 0.000 -0.136 0.000 3/34020 690.0 1.768 1.853 1.620 0.000 -0.134 0.000 3/34020 700.0 1.742 1.826 1.596 0.000 -0.132 0.000 3/34020 710.0 1.717 1.799 1.574 0.000 -0.130 0.000 3/34020 720.0 1.693 1.774 1.551 0.000 -0.128 0.000 3/34020 730.0 1.669 1.749 1.530 0.000 -0.126 0.000 3/34020 740.0 1.646 1.724 1.509 0.000 -0.125 0.000 3/34020 750.0 1.624 1.701 1.488 0.000 -0.123 0.000 3/34020 760.0 1.602 1.678 1.469 0.000 -0.122 0.000 3/34020 770.0 1.581 1.656 1.449 0.000 -0.120 0.000 3/34020 780.0 1.560 1.634 1.431 0.000 -0.118 0.000 3/34020 790.0 1.540 1.613 1.412 0.000 -0.117 0.000 3/34020 800.0 1.520 1.592 1.394 0.000 -0.116 0.000 3/34020 810.0 1.501 1.572 1.377 0.000 -0.114 0.000 3/34020 820.0 1.483 1.552 1.360 0.000 -0.113 0.000 3/34020 830.0 1.465 1.533 1.343 0.000 -0.111 0.000 3/34020 840.0 1.447 1.514 1.327 0.000 -0.110 0.000 3/34020 850.0 1.430 1.496 1.311 0.000 -0.109 0.000 3/34020 860.0 1.413 1.479 1.296 0.000 -0.108 0.000 3/34020 870.0 1.396 1.461 1.281 0.000 -0.106 0.000 3/34020 880.0 1.380 1.444 1.266 0.000 -0.105 0.000 3/34020 890.0 1.365 1.428 1.252 0.000 -0.104 0.000 3/34020 900.0 1.349 1.412 1.238 0.000 -0.103 0.000 3/34020 910.0 1.334 1.396 1.224 0.000 -0.102 0.000 3/34020 920.0 1.319 1.380 1.211 0.000 -0.101 0.000 3/34020 930.0 1.305 1.365 1.198 0.000 -0.100 0.000 3/34020 940.0 1.291 1.350 1.185 0.000 -0.099 0.000 3/34020 950.0 1.277 1.336 1.172 0.000 -0.097 0.000 3/34020 960.0 1.264 1.322 1.160 0.000 -0.096 0.000 3/34020 970.0 1.251 1.308 1.148 0.000 -0.096 0.000 3/34020 980.0 1.238 1.294 1.136 0.000 -0.095 0.000 3/34020 990.0 1.225 1.281 1.125 0.000 -0.094 0.000 3/34020 1000.0 1.213 1.268 1.113 0.000 -0.093 0.000 3/34020 Thermal conductivity related properties were written into "kappa-m795.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:39:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|