----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:55:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.422674267398997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.809209069999998 0.000000000000000 c -6.172625398396565 0.000000000000000 8.990342197947607 Atomic positions (fractional): *1 O 0.28139051278796 0.56533069680367 0.77783094137248 15.999 2 O 0.71860948721204 0.06533069680367 0.72216905862752 15.999 3 O 0.71860948721204 0.43466930319633 0.22216905862752 15.999 4 O 0.28139051278796 0.93466930319633 0.27783094137248 15.999 *5 O 0.57640808894961 0.71072086900042 0.09089446498878 15.999 6 O 0.42359191105039 0.21072086900042 0.40910553501122 15.999 7 O 0.42359191105039 0.28927913099958 0.90910553501123 15.999 8 O 0.57640808894961 0.78927913099958 0.59089446498877 15.999 *9 O 0.06979986822164 0.65567571538113 0.36033032828153 15.999 *10 O 0.61046517711585 0.85835837237820 0.86063027990047 15.999 11 O 0.93020013177836 0.15567571538113 0.13966967171847 15.999 12 O 0.06979986822164 0.84432428461887 0.86033032828153 15.999 13 O 0.61046517711585 0.64164162762180 0.36063027990047 15.999 14 O 0.38953482288415 0.14164162762180 0.13936972009953 15.999 15 O 0.38953482288415 0.35835837237820 0.63936972009953 15.999 16 O 0.93020013177836 0.34432428461887 0.63966967171847 15.999 *17 Ge 0.74506721389371 0.61301332530384 0.25767190356560 72.640 18 Ge 0.25493278610629 0.11301332530384 0.24232809643440 72.640 19 Ge 0.25493278610629 0.38698667469616 0.74232809643440 72.640 20 Ge 0.74506721389371 0.88698667469616 0.75767190356560 72.640 *21 Ag 0.43288908633922 0.58175942227849 0.58962531408799 107.868 22 Ag 0.56711091366078 0.08175942227849 0.91037468591201 107.868 23 Ag 0.56711091366078 0.41824057772151 0.41037468591201 107.868 24 Ag 0.43288908633922 0.91824057772151 0.08962531408799 107.868 *25 Ag 0.89870560116052 0.64474934555610 0.62070941603320 107.868 26 Ag 0.10129439883948 0.14474934555610 0.87929058396680 107.868 27 Ag 0.10129439883948 0.35525065444390 0.37929058396680 107.868 28 Ag 0.89870560116052 0.85525065444390 0.12070941603320 107.868 *29 Ag 0.17298258770939 0.59365487958680 0.19858680508253 107.868 30 Ag 0.82701741229061 0.09365487958680 0.30141319491747 107.868 31 Ag 0.82701741229061 0.40634512041320 0.80141319491747 107.868 32 Ag 0.17298258770939 0.90634512041320 0.69858680508253 107.868 *33 Ag 0.70114576786286 0.62231356060205 0.92259928652192 107.868 34 Ag 0.29885423213714 0.12231356060204 0.57740071347808 107.868 35 Ag 0.29885423213714 0.37768643939795 0.07740071347808 107.868 36 Ag 0.70114576786286 0.87768643939795 0.42259928652192 107.868 *37 Ag 0.15191831734914 0.62490568655150 0.94228123311332 107.868 38 Ag 0.84808168265086 0.12490568655150 0.55771876688668 107.868 39 Ag 0.84808168265086 0.37509431344850 0.05771876688668 107.868 40 Ag 0.15191831734914 0.87509431344850 0.44228123311332 107.868 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.422674267398997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.809209069999998 0.000000000000000 c -6.172625398396565 0.000000000000000 8.990342197947607 Atomic positions (fractional): *1 O 0.28139051278796 0.56533069680367 0.77783094137248 15.999 > 1 2 O 0.71860948721204 0.06533069680367 0.72216905862752 15.999 > 2 3 O 0.71860948721204 0.43466930319633 0.22216905862752 15.999 > 3 4 O 0.28139051278796 0.93466930319633 0.27783094137248 15.999 > 4 *5 O 0.57640808894961 0.71072086900042 0.09089446498878 15.999 > 5 6 O 0.42359191105039 0.21072086900042 0.40910553501122 15.999 > 6 7 O 0.42359191105039 0.28927913099958 0.90910553501123 15.999 > 7 8 O 0.57640808894961 0.78927913099958 0.59089446498877 15.999 > 8 *9 O 0.06979986822164 0.65567571538113 0.36033032828153 15.999 > 9 *10 O 0.61046517711585 0.85835837237820 0.86063027990047 15.999 > 10 11 O 0.93020013177836 0.15567571538113 0.13966967171847 15.999 > 11 12 O 0.06979986822164 0.84432428461887 0.86033032828153 15.999 > 12 13 O 0.61046517711585 0.64164162762180 0.36063027990047 15.999 > 13 14 O 0.38953482288415 0.14164162762180 0.13936972009953 15.999 > 14 15 O 0.38953482288415 0.35835837237820 0.63936972009953 15.999 > 15 16 O 0.93020013177836 0.34432428461887 0.63966967171847 15.999 > 16 *17 Ge 0.74506721389371 0.61301332530384 0.25767190356560 72.640 > 17 18 Ge 0.25493278610629 0.11301332530384 0.24232809643440 72.640 > 18 19 Ge 0.25493278610629 0.38698667469616 0.74232809643440 72.640 > 19 20 Ge 0.74506721389371 0.88698667469616 0.75767190356560 72.640 > 20 *21 Ag 0.43288908633922 0.58175942227849 0.58962531408799 107.868 > 21 22 Ag 0.56711091366078 0.08175942227849 0.91037468591201 107.868 > 22 23 Ag 0.56711091366078 0.41824057772151 0.41037468591201 107.868 > 23 24 Ag 0.43288908633922 0.91824057772151 0.08962531408799 107.868 > 24 *25 Ag 0.89870560116052 0.64474934555610 0.62070941603320 107.868 > 25 26 Ag 0.10129439883948 0.14474934555610 0.87929058396680 107.868 > 26 27 Ag 0.10129439883948 0.35525065444390 0.37929058396680 107.868 > 27 28 Ag 0.89870560116052 0.85525065444390 0.12070941603320 107.868 > 28 *29 Ag 0.17298258770939 0.59365487958680 0.19858680508253 107.868 > 29 30 Ag 0.82701741229061 0.09365487958680 0.30141319491747 107.868 > 30 31 Ag 0.82701741229061 0.40634512041320 0.80141319491747 107.868 > 31 32 Ag 0.17298258770939 0.90634512041320 0.69858680508253 107.868 > 32 *33 Ag 0.70114576786286 0.62231356060205 0.92259928652192 107.868 > 33 34 Ag 0.29885423213714 0.12231356060204 0.57740071347808 107.868 > 34 35 Ag 0.29885423213714 0.37768643939795 0.07740071347808 107.868 > 35 36 Ag 0.70114576786286 0.87768643939795 0.42259928652192 107.868 > 36 *37 Ag 0.15191831734914 0.62490568655150 0.94228123311332 107.868 > 37 38 Ag 0.84808168265086 0.12490568655150 0.55771876688668 107.868 > 38 39 Ag 0.84808168265086 0.37509431344850 0.05771876688668 107.868 > 39 40 Ag 0.15191831734914 0.87509431344850 0.44228123311332 107.868 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.845348534797994 0.000000000000000 0.000000000000000 b 0.000000000000000 9.809209069999998 0.000000000000000 c -6.172625398396565 0.000000000000000 8.990342197947607 Atomic positions (fractional): *1 O 0.14069525639398 0.56533069680367 0.77783094137248 15.999 > 1 2 O 0.64069525639398 0.56533069680367 0.77783094137248 15.999 > 1 3 O 0.35930474360602 0.06533069680367 0.72216905862752 15.999 > 2 4 O 0.85930474360602 0.06533069680367 0.72216905862752 15.999 > 2 5 O 0.35930474360602 0.43466930319633 0.22216905862752 15.999 > 3 6 O 0.85930474360602 0.43466930319633 0.22216905862752 15.999 > 3 7 O 0.14069525639398 0.93466930319633 0.27783094137248 15.999 > 4 8 O 0.64069525639398 0.93466930319633 0.27783094137248 15.999 > 4 *9 O 0.28820404447480 0.71072086900042 0.09089446498878 15.999 > 5 10 O 0.78820404447480 0.71072086900042 0.09089446498878 15.999 > 5 11 O 0.21179595552520 0.21072086900042 0.40910553501122 15.999 > 6 12 O 0.71179595552520 0.21072086900042 0.40910553501122 15.999 > 6 13 O 0.21179595552520 0.28927913099958 0.90910553501123 15.999 > 7 14 O 0.71179595552520 0.28927913099958 0.90910553501123 15.999 > 7 15 O 0.28820404447480 0.78927913099958 0.59089446498877 15.999 > 8 16 O 0.78820404447480 0.78927913099958 0.59089446498877 15.999 > 8 *17 O 0.03489993411082 0.65567571538113 0.36033032828153 15.999 > 9 18 O 0.53489993411082 0.65567571538113 0.36033032828153 15.999 > 9 *19 O 0.30523258855793 0.85835837237820 0.86063027990047 15.999 > 10 20 O 0.80523258855793 0.85835837237820 0.86063027990047 15.999 > 10 21 O 0.46510006588918 0.15567571538113 0.13966967171847 15.999 > 11 22 O 0.96510006588918 0.15567571538113 0.13966967171847 15.999 > 11 23 O 0.03489993411082 0.84432428461887 0.86033032828153 15.999 > 12 24 O 0.53489993411082 0.84432428461887 0.86033032828153 15.999 > 12 25 O 0.30523258855793 0.64164162762180 0.36063027990047 15.999 > 13 26 O 0.80523258855793 0.64164162762180 0.36063027990047 15.999 > 13 27 O 0.19476741144207 0.14164162762180 0.13936972009953 15.999 > 14 28 O 0.69476741144207 0.14164162762180 0.13936972009953 15.999 > 14 29 O 0.19476741144207 0.35835837237820 0.63936972009953 15.999 > 15 30 O 0.69476741144207 0.35835837237820 0.63936972009953 15.999 > 15 31 O 0.46510006588918 0.34432428461887 0.63966967171847 15.999 > 16 32 O 0.96510006588918 0.34432428461887 0.63966967171847 15.999 > 16 *33 Ge 0.37253360694686 0.61301332530384 0.25767190356560 72.640 > 17 34 Ge 0.87253360694686 0.61301332530384 0.25767190356560 72.640 > 17 35 Ge 0.12746639305314 0.11301332530384 0.24232809643440 72.640 > 18 36 Ge 0.62746639305314 0.11301332530384 0.24232809643440 72.640 > 18 37 Ge 0.12746639305314 0.38698667469616 0.74232809643440 72.640 > 19 38 Ge 0.62746639305314 0.38698667469616 0.74232809643440 72.640 > 19 39 Ge 0.37253360694686 0.88698667469616 0.75767190356560 72.640 > 20 40 Ge 0.87253360694686 0.88698667469616 0.75767190356560 72.640 > 20 *41 Ag 0.21644454316961 0.58175942227849 0.58962531408799 107.868 > 21 42 Ag 0.71644454316961 0.58175942227849 0.58962531408799 107.868 > 21 43 Ag 0.28355545683039 0.08175942227849 0.91037468591201 107.868 > 22 44 Ag 0.78355545683039 0.08175942227849 0.91037468591201 107.868 > 22 45 Ag 0.28355545683039 0.41824057772151 0.41037468591201 107.868 > 23 46 Ag 0.78355545683039 0.41824057772151 0.41037468591201 107.868 > 23 47 Ag 0.21644454316961 0.91824057772151 0.08962531408799 107.868 > 24 48 Ag 0.71644454316961 0.91824057772151 0.08962531408799 107.868 > 24 *49 Ag 0.44935280058026 0.64474934555610 0.62070941603320 107.868 > 25 50 Ag 0.94935280058026 0.64474934555610 0.62070941603320 107.868 > 25 51 Ag 0.05064719941974 0.14474934555610 0.87929058396680 107.868 > 26 52 Ag 0.55064719941974 0.14474934555610 0.87929058396680 107.868 > 26 53 Ag 0.05064719941974 0.35525065444390 0.37929058396680 107.868 > 27 54 Ag 0.55064719941974 0.35525065444390 0.37929058396680 107.868 > 27 55 Ag 0.44935280058026 0.85525065444390 0.12070941603320 107.868 > 28 56 Ag 0.94935280058026 0.85525065444390 0.12070941603320 107.868 > 28 *57 Ag 0.08649129385470 0.59365487958680 0.19858680508253 107.868 > 29 58 Ag 0.58649129385470 0.59365487958680 0.19858680508253 107.868 > 29 59 Ag 0.41350870614530 0.09365487958680 0.30141319491747 107.868 > 30 60 Ag 0.91350870614530 0.09365487958680 0.30141319491747 107.868 > 30 61 Ag 0.41350870614530 0.40634512041320 0.80141319491747 107.868 > 31 62 Ag 0.91350870614530 0.40634512041320 0.80141319491747 107.868 > 31 63 Ag 0.08649129385470 0.90634512041320 0.69858680508253 107.868 > 32 64 Ag 0.58649129385470 0.90634512041320 0.69858680508253 107.868 > 32 *65 Ag 0.35057288393143 0.62231356060205 0.92259928652192 107.868 > 33 66 Ag 0.85057288393143 0.62231356060205 0.92259928652192 107.868 > 33 67 Ag 0.14942711606857 0.12231356060204 0.57740071347808 107.868 > 34 68 Ag 0.64942711606857 0.12231356060204 0.57740071347808 107.868 > 34 69 Ag 0.14942711606857 0.37768643939795 0.07740071347808 107.868 > 35 70 Ag 0.64942711606857 0.37768643939795 0.07740071347808 107.868 > 35 71 Ag 0.35057288393143 0.87768643939795 0.42259928652192 107.868 > 36 72 Ag 0.85057288393143 0.87768643939795 0.42259928652192 107.868 > 36 *73 Ag 0.07595915867457 0.62490568655150 0.94228123311332 107.868 > 37 74 Ag 0.57595915867457 0.62490568655150 0.94228123311332 107.868 > 37 75 Ag 0.42404084132543 0.12490568655150 0.55771876688668 107.868 > 38 76 Ag 0.92404084132543 0.12490568655150 0.55771876688668 107.868 > 38 77 Ag 0.42404084132543 0.37509431344850 0.05771876688668 107.868 > 39 78 Ag 0.92404084132543 0.37509431344850 0.05771876688668 107.868 > 39 79 Ag 0.07595915867457 0.87509431344850 0.44228123311332 107.868 > 40 80 Ag 0.57595915867457 0.87509431344850 0.44228123311332 107.868 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.3513837 0.0000000 0.7342853 0.0000000 9.4355664 0.0000000 0.7342816 0.0000000 10.9650157 -------------------------- Born effective charges -------------------------- 1 O -2.6330938 0.2375619 0.0031509 0.2920454 -2.5931682 -0.1576829 0.0314081 -0.1721161 -1.8588150 2 O -2.6330938 -0.2375619 0.0031509 -0.2920454 -2.5931682 0.1576829 0.0314081 0.1721161 -1.8588150 3 O -2.6330938 0.2375619 0.0031509 0.2920454 -2.5931682 -0.1576829 0.0314081 -0.1721161 -1.8588150 4 O -2.6330938 -0.2375619 0.0031509 -0.2920454 -2.5931682 0.1576829 0.0314081 0.1721161 -1.8588150 5 O -2.3028610 -0.2655111 -0.0463303 0.0169072 -2.2620773 0.3624346 0.0221321 -0.1373587 -2.1429520 6 O -2.3028610 0.2655111 -0.0463303 -0.0169072 -2.2620773 -0.3624346 0.0221321 0.1373587 -2.1429520 7 O -2.3028610 -0.2655111 -0.0463303 0.0169072 -2.2620773 0.3624346 0.0221321 -0.1373587 -2.1429520 8 O -2.3028610 0.2655111 -0.0463303 -0.0169072 -2.2620773 -0.3624346 0.0221321 0.1373587 -2.1429520 9 O -2.2163098 0.0092670 -0.2519208 0.1038109 -2.3327133 -0.4195101 -0.2451189 -0.2673147 -2.2061809 10 O -2.3699084 0.2483905 0.3452447 0.3245438 -1.9995587 0.5561017 -0.1546314 0.6838358 -2.3054567 11 O -2.2163098 -0.0092670 -0.2519208 -0.1038109 -2.3327133 0.4195101 -0.2451189 0.2673147 -2.2061809 12 O -2.2163098 -0.0092670 -0.2519208 -0.1038109 -2.3327133 0.4195101 -0.2451189 0.2673147 -2.2061809 13 O -2.3699084 -0.2483905 0.3452447 -0.3245438 -1.9995587 -0.5561017 -0.1546314 -0.6838358 -2.3054567 14 O -2.3699084 0.2483905 0.3452447 0.3245438 -1.9995587 0.5561017 -0.1546314 0.6838358 -2.3054567 15 O -2.3699084 -0.2483905 0.3452447 -0.3245438 -1.9995587 -0.5561017 -0.1546314 -0.6838358 -2.3054567 16 O -2.2163098 0.0092670 -0.2519208 0.1038109 -2.3327133 -0.4195101 -0.2451189 -0.2673147 -2.2061809 17 Ge 3.5523314 -0.0373401 -0.3084240 0.1240524 3.2730867 -0.1705907 -0.0809016 0.2346148 2.6071594 18 Ge 3.5523314 0.0373401 -0.3084240 -0.1240524 3.2730867 0.1705907 -0.0809016 -0.2346148 2.6071594 19 Ge 3.5523314 -0.0373401 -0.3084240 0.1240524 3.2730867 -0.1705907 -0.0809016 0.2346148 2.6071594 20 Ge 3.5523314 0.0373401 -0.3084240 -0.1240524 3.2730867 0.1705907 -0.0809016 -0.2346148 2.6071594 21 Ag 1.0336726 0.3651110 0.0470331 0.3894092 1.6673540 -0.1664667 0.0150995 -0.4033475 1.1544675 22 Ag 1.0336726 -0.3651110 0.0470331 -0.3894092 1.6673540 0.1664667 0.0150995 0.4033475 1.1544675 23 Ag 1.0336726 0.3651110 0.0470331 0.3894092 1.6673540 -0.1664667 0.0150995 -0.4033475 1.1544675 24 Ag 1.0336726 -0.3651110 0.0470331 -0.3894092 1.6673540 0.1664667 0.0150995 0.4033475 1.1544675 25 Ag 1.2067503 -0.5478784 0.1224206 -0.7057174 1.2254150 0.0568622 0.1689016 -0.0383125 1.4828676 26 Ag 1.2067503 0.5478784 0.1224206 0.7057174 1.2254150 -0.0568622 0.1689016 0.0383125 1.4828676 27 Ag 1.2067503 -0.5478784 0.1224206 -0.7057174 1.2254150 0.0568622 0.1689016 -0.0383125 1.4828676 28 Ag 1.2067503 0.5478784 0.1224206 0.7057174 1.2254150 -0.0568622 0.1689016 0.0383125 1.4828676 29 Ag 1.2888810 -0.0407770 -0.0253995 -0.1209575 0.6166446 0.4611617 0.1062636 0.4581225 1.3439489 30 Ag 1.2888810 0.0407770 -0.0253995 0.1209575 0.6166446 -0.4611617 0.1062636 -0.4581225 1.3439489 31 Ag 1.2888810 -0.0407770 -0.0253995 -0.1209575 0.6166446 0.4611617 0.1062636 0.4581225 1.3439489 32 Ag 1.2888810 0.0407770 -0.0253995 0.1209575 0.6166446 -0.4611617 0.1062636 -0.4581225 1.3439489 33 Ag 1.2956760 -0.1481155 0.1684972 0.0119386 1.1736788 0.0136867 0.0395725 -0.1334822 0.9790124 34 Ag 1.2956760 0.1481155 0.1684972 -0.0119386 1.1736788 -0.0136867 0.0395725 0.1334822 0.9790124 35 Ag 1.2956760 -0.1481155 0.1684972 0.0119386 1.1736788 0.0136867 0.0395725 -0.1334822 0.9790124 36 Ag 1.2956760 0.1481155 0.1684972 -0.0119386 1.1736788 -0.0136867 0.0395725 0.1334822 0.9790124 37 Ag 1.1448616 0.2405997 -0.0542719 0.1391257 1.2313384 -0.2056582 0.0972746 -0.0396723 0.9459488 38 Ag 1.1448616 -0.2405997 -0.0542719 -0.1391257 1.2313384 0.2056582 0.0972746 0.0396723 0.9459488 39 Ag 1.1448616 0.2405997 -0.0542719 0.1391257 1.2313384 -0.2056582 0.0972746 -0.0396723 0.9459488 40 Ag 1.1448616 -0.2405997 -0.0542719 -0.1391257 1.2313384 0.2056582 0.0972746 0.0396723 0.9459488 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1200 - Time: 1.025 Solver_block: 200 / 1200 - Time: 0.878 Solver_block: 300 / 1200 - Time: 0.883 Solver_block: 400 / 1200 - Time: 0.908 Solver_block: 500 / 1200 - Time: 0.985 Solver_block: 600 / 1200 - Time: 0.875 Solver_block: 700 / 1200 - Time: 0.870 Solver_block: 800 / 1200 - Time: 0.924 Solver_block: 900 / 1200 - Time: 0.873 Solver_block: 1000 / 1200 - Time: 0.867 Solver_block: 1100 / 1200 - Time: 0.870 Solver_block: 1200 / 1200 - Time: 0.899 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.057 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zy) -0.00000000 (zy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zy) -0.00000000 (zy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:56:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:56:27]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.422674267398997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.809209069999998 0.000000000000000 c -6.172625398396565 0.000000000000000 8.990342197947607 Atomic positions (fractional): 1 O 0.28139051278796 0.56533069680367 0.77783094137248 15.999 2 O 0.71860948721204 0.06533069680367 0.72216905862752 15.999 3 O 0.71860948721204 0.43466930319633 0.22216905862752 15.999 4 O 0.28139051278796 0.93466930319633 0.27783094137248 15.999 5 O 0.57640808894961 0.71072086900042 0.09089446498878 15.999 6 O 0.42359191105039 0.21072086900042 0.40910553501122 15.999 7 O 0.42359191105039 0.28927913099958 0.90910553501123 15.999 8 O 0.57640808894961 0.78927913099958 0.59089446498877 15.999 9 O 0.06979986822164 0.65567571538113 0.36033032828153 15.999 10 O 0.61046517711585 0.85835837237820 0.86063027990047 15.999 11 O 0.93020013177836 0.15567571538113 0.13966967171847 15.999 12 O 0.06979986822164 0.84432428461887 0.86033032828153 15.999 13 O 0.61046517711585 0.64164162762180 0.36063027990047 15.999 14 O 0.38953482288415 0.14164162762180 0.13936972009953 15.999 15 O 0.38953482288415 0.35835837237820 0.63936972009953 15.999 16 O 0.93020013177836 0.34432428461887 0.63966967171847 15.999 17 Ge 0.74506721389371 0.61301332530384 0.25767190356560 72.640 18 Ge 0.25493278610629 0.11301332530384 0.24232809643440 72.640 19 Ge 0.25493278610629 0.38698667469616 0.74232809643440 72.640 20 Ge 0.74506721389371 0.88698667469616 0.75767190356560 72.640 21 Ag 0.43288908633922 0.58175942227849 0.58962531408799 107.868 22 Ag 0.56711091366078 0.08175942227849 0.91037468591201 107.868 23 Ag 0.56711091366078 0.41824057772151 0.41037468591201 107.868 24 Ag 0.43288908633922 0.91824057772151 0.08962531408799 107.868 25 Ag 0.89870560116052 0.64474934555610 0.62070941603320 107.868 26 Ag 0.10129439883948 0.14474934555610 0.87929058396680 107.868 27 Ag 0.10129439883948 0.35525065444390 0.37929058396680 107.868 28 Ag 0.89870560116052 0.85525065444390 0.12070941603320 107.868 29 Ag 0.17298258770939 0.59365487958680 0.19858680508253 107.868 30 Ag 0.82701741229061 0.09365487958680 0.30141319491747 107.868 31 Ag 0.82701741229061 0.40634512041320 0.80141319491747 107.868 32 Ag 0.17298258770939 0.90634512041320 0.69858680508253 107.868 33 Ag 0.70114576786286 0.62231356060205 0.92259928652192 107.868 34 Ag 0.29885423213714 0.12231356060204 0.57740071347808 107.868 35 Ag 0.29885423213714 0.37768643939795 0.07740071347808 107.868 36 Ag 0.70114576786286 0.87768643939795 0.42259928652192 107.868 37 Ag 0.15191831734914 0.62490568655150 0.94228123311332 107.868 38 Ag 0.84808168265086 0.12490568655150 0.55771876688668 107.868 39 Ag 0.84808168265086 0.37509431344850 0.05771876688668 107.868 40 Ag 0.15191831734914 0.87509431344850 0.44228123311332 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.845348534797994 0.000000000000000 0.000000000000000 b 0.000000000000000 9.809209069999998 0.000000000000000 c -6.172625398396565 0.000000000000000 8.990342197947607 Atomic positions (fractional): 1 O 0.14069525639398 0.56533069680367 0.77783094137248 15.999 > 1 2 O 0.64069525639398 0.56533069680367 0.77783094137248 15.999 > 1 3 O 0.35930474360602 0.06533069680367 0.72216905862752 15.999 > 3 4 O 0.85930474360602 0.06533069680367 0.72216905862752 15.999 > 3 5 O 0.35930474360602 0.43466930319633 0.22216905862752 15.999 > 5 6 O 0.85930474360602 0.43466930319633 0.22216905862752 15.999 > 5 7 O 0.14069525639398 0.93466930319633 0.27783094137248 15.999 > 7 8 O 0.64069525639398 0.93466930319633 0.27783094137248 15.999 > 7 9 O 0.28820404447480 0.71072086900042 0.09089446498878 15.999 > 9 10 O 0.78820404447480 0.71072086900042 0.09089446498878 15.999 > 9 11 O 0.21179595552520 0.21072086900042 0.40910553501122 15.999 > 11 12 O 0.71179595552520 0.21072086900042 0.40910553501122 15.999 > 11 13 O 0.21179595552520 0.28927913099958 0.90910553501123 15.999 > 13 14 O 0.71179595552520 0.28927913099958 0.90910553501123 15.999 > 13 15 O 0.28820404447480 0.78927913099958 0.59089446498877 15.999 > 15 16 O 0.78820404447480 0.78927913099958 0.59089446498877 15.999 > 15 17 O 0.03489993411082 0.65567571538113 0.36033032828153 15.999 > 17 18 O 0.53489993411082 0.65567571538113 0.36033032828153 15.999 > 17 19 O 0.30523258855793 0.85835837237820 0.86063027990047 15.999 > 19 20 O 0.80523258855793 0.85835837237820 0.86063027990047 15.999 > 19 21 O 0.46510006588918 0.15567571538113 0.13966967171847 15.999 > 21 22 O 0.96510006588918 0.15567571538113 0.13966967171847 15.999 > 21 23 O 0.03489993411082 0.84432428461887 0.86033032828153 15.999 > 23 24 O 0.53489993411082 0.84432428461887 0.86033032828153 15.999 > 23 25 O 0.30523258855793 0.64164162762180 0.36063027990047 15.999 > 25 26 O 0.80523258855793 0.64164162762180 0.36063027990047 15.999 > 25 27 O 0.19476741144207 0.14164162762180 0.13936972009953 15.999 > 27 28 O 0.69476741144207 0.14164162762180 0.13936972009953 15.999 > 27 29 O 0.19476741144207 0.35835837237820 0.63936972009953 15.999 > 29 30 O 0.69476741144207 0.35835837237820 0.63936972009953 15.999 > 29 31 O 0.46510006588918 0.34432428461887 0.63966967171847 15.999 > 31 32 O 0.96510006588918 0.34432428461887 0.63966967171847 15.999 > 31 33 Ge 0.37253360694686 0.61301332530384 0.25767190356560 72.640 > 33 34 Ge 0.87253360694686 0.61301332530384 0.25767190356560 72.640 > 33 35 Ge 0.12746639305314 0.11301332530384 0.24232809643440 72.640 > 35 36 Ge 0.62746639305314 0.11301332530384 0.24232809643440 72.640 > 35 37 Ge 0.12746639305314 0.38698667469616 0.74232809643440 72.640 > 37 38 Ge 0.62746639305314 0.38698667469616 0.74232809643440 72.640 > 37 39 Ge 0.37253360694686 0.88698667469616 0.75767190356560 72.640 > 39 40 Ge 0.87253360694686 0.88698667469616 0.75767190356560 72.640 > 39 41 Ag 0.21644454316961 0.58175942227849 0.58962531408799 107.868 > 41 42 Ag 0.71644454316961 0.58175942227849 0.58962531408799 107.868 > 41 43 Ag 0.28355545683039 0.08175942227849 0.91037468591201 107.868 > 43 44 Ag 0.78355545683039 0.08175942227849 0.91037468591201 107.868 > 43 45 Ag 0.28355545683039 0.41824057772151 0.41037468591201 107.868 > 45 46 Ag 0.78355545683039 0.41824057772151 0.41037468591201 107.868 > 45 47 Ag 0.21644454316961 0.91824057772151 0.08962531408799 107.868 > 47 48 Ag 0.71644454316961 0.91824057772151 0.08962531408799 107.868 > 47 49 Ag 0.44935280058026 0.64474934555610 0.62070941603320 107.868 > 49 50 Ag 0.94935280058026 0.64474934555610 0.62070941603320 107.868 > 49 51 Ag 0.05064719941974 0.14474934555610 0.87929058396680 107.868 > 51 52 Ag 0.55064719941974 0.14474934555610 0.87929058396680 107.868 > 51 53 Ag 0.05064719941974 0.35525065444390 0.37929058396680 107.868 > 53 54 Ag 0.55064719941974 0.35525065444390 0.37929058396680 107.868 > 53 55 Ag 0.44935280058026 0.85525065444390 0.12070941603320 107.868 > 55 56 Ag 0.94935280058026 0.85525065444390 0.12070941603320 107.868 > 55 57 Ag 0.08649129385470 0.59365487958680 0.19858680508253 107.868 > 57 58 Ag 0.58649129385470 0.59365487958680 0.19858680508253 107.868 > 57 59 Ag 0.41350870614530 0.09365487958680 0.30141319491747 107.868 > 59 60 Ag 0.91350870614530 0.09365487958680 0.30141319491747 107.868 > 59 61 Ag 0.41350870614530 0.40634512041320 0.80141319491747 107.868 > 61 62 Ag 0.91350870614530 0.40634512041320 0.80141319491747 107.868 > 61 63 Ag 0.08649129385470 0.90634512041320 0.69858680508253 107.868 > 63 64 Ag 0.58649129385470 0.90634512041320 0.69858680508253 107.868 > 63 65 Ag 0.35057288393143 0.62231356060205 0.92259928652192 107.868 > 65 66 Ag 0.85057288393143 0.62231356060205 0.92259928652192 107.868 > 65 67 Ag 0.14942711606857 0.12231356060204 0.57740071347808 107.868 > 67 68 Ag 0.64942711606857 0.12231356060204 0.57740071347808 107.868 > 67 69 Ag 0.14942711606857 0.37768643939795 0.07740071347808 107.868 > 69 70 Ag 0.64942711606857 0.37768643939795 0.07740071347808 107.868 > 69 71 Ag 0.35057288393143 0.87768643939795 0.42259928652192 107.868 > 71 72 Ag 0.85057288393143 0.87768643939795 0.42259928652192 107.868 > 71 73 Ag 0.07595915867457 0.62490568655150 0.94228123311332 107.868 > 73 74 Ag 0.57595915867457 0.62490568655150 0.94228123311332 107.868 > 73 75 Ag 0.42404084132543 0.12490568655150 0.55771876688668 107.868 > 75 76 Ag 0.92404084132543 0.12490568655150 0.55771876688668 107.868 > 75 77 Ag 0.42404084132543 0.37509431344850 0.05771876688668 107.868 > 77 78 Ag 0.92404084132543 0.37509431344850 0.05771876688668 107.868 > 77 79 Ag 0.07595915867457 0.87509431344850 0.44228123311332 107.868 > 79 80 Ag 0.57595915867457 0.87509431344850 0.44228123311332 107.868 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.3513837 0.0000000 0.7342853 0.0000000 9.4355664 0.0000000 0.7342816 0.0000000 10.9650157 -------------------------- Born effective charges -------------------------- 1 O -2.6330938 0.2375619 0.0031509 0.2920454 -2.5931682 -0.1576829 0.0314081 -0.1721161 -1.8588150 2 O -2.6330938 -0.2375619 0.0031509 -0.2920454 -2.5931682 0.1576829 0.0314081 0.1721161 -1.8588150 3 O -2.6330938 0.2375619 0.0031509 0.2920454 -2.5931682 -0.1576829 0.0314081 -0.1721161 -1.8588150 4 O -2.6330938 -0.2375619 0.0031509 -0.2920454 -2.5931682 0.1576829 0.0314081 0.1721161 -1.8588150 5 O -2.3028610 -0.2655111 -0.0463303 0.0169072 -2.2620773 0.3624346 0.0221321 -0.1373587 -2.1429520 6 O -2.3028610 0.2655111 -0.0463303 -0.0169072 -2.2620773 -0.3624346 0.0221321 0.1373587 -2.1429520 7 O -2.3028610 -0.2655111 -0.0463303 0.0169072 -2.2620773 0.3624346 0.0221321 -0.1373587 -2.1429520 8 O -2.3028610 0.2655111 -0.0463303 -0.0169072 -2.2620773 -0.3624346 0.0221321 0.1373587 -2.1429520 9 O -2.2163098 0.0092670 -0.2519208 0.1038109 -2.3327133 -0.4195101 -0.2451189 -0.2673147 -2.2061809 10 O -2.3699084 0.2483905 0.3452447 0.3245438 -1.9995587 0.5561017 -0.1546314 0.6838358 -2.3054567 11 O -2.2163098 -0.0092670 -0.2519208 -0.1038109 -2.3327133 0.4195101 -0.2451189 0.2673147 -2.2061809 12 O -2.2163098 -0.0092670 -0.2519208 -0.1038109 -2.3327133 0.4195101 -0.2451189 0.2673147 -2.2061809 13 O -2.3699084 -0.2483905 0.3452447 -0.3245438 -1.9995587 -0.5561017 -0.1546314 -0.6838358 -2.3054567 14 O -2.3699084 0.2483905 0.3452447 0.3245438 -1.9995587 0.5561017 -0.1546314 0.6838358 -2.3054567 15 O -2.3699084 -0.2483905 0.3452447 -0.3245438 -1.9995587 -0.5561017 -0.1546314 -0.6838358 -2.3054567 16 O -2.2163098 0.0092670 -0.2519208 0.1038109 -2.3327133 -0.4195101 -0.2451189 -0.2673147 -2.2061809 17 Ge 3.5523314 -0.0373401 -0.3084240 0.1240524 3.2730867 -0.1705907 -0.0809016 0.2346148 2.6071594 18 Ge 3.5523314 0.0373401 -0.3084240 -0.1240524 3.2730867 0.1705907 -0.0809016 -0.2346148 2.6071594 19 Ge 3.5523314 -0.0373401 -0.3084240 0.1240524 3.2730867 -0.1705907 -0.0809016 0.2346148 2.6071594 20 Ge 3.5523314 0.0373401 -0.3084240 -0.1240524 3.2730867 0.1705907 -0.0809016 -0.2346148 2.6071594 21 Ag 1.0336726 0.3651110 0.0470331 0.3894092 1.6673540 -0.1664667 0.0150995 -0.4033475 1.1544675 22 Ag 1.0336726 -0.3651110 0.0470331 -0.3894092 1.6673540 0.1664667 0.0150995 0.4033475 1.1544675 23 Ag 1.0336726 0.3651110 0.0470331 0.3894092 1.6673540 -0.1664667 0.0150995 -0.4033475 1.1544675 24 Ag 1.0336726 -0.3651110 0.0470331 -0.3894092 1.6673540 0.1664667 0.0150995 0.4033475 1.1544675 25 Ag 1.2067503 -0.5478784 0.1224206 -0.7057174 1.2254150 0.0568622 0.1689016 -0.0383125 1.4828676 26 Ag 1.2067503 0.5478784 0.1224206 0.7057174 1.2254150 -0.0568622 0.1689016 0.0383125 1.4828676 27 Ag 1.2067503 -0.5478784 0.1224206 -0.7057174 1.2254150 0.0568622 0.1689016 -0.0383125 1.4828676 28 Ag 1.2067503 0.5478784 0.1224206 0.7057174 1.2254150 -0.0568622 0.1689016 0.0383125 1.4828676 29 Ag 1.2888810 -0.0407770 -0.0253995 -0.1209575 0.6166446 0.4611617 0.1062636 0.4581225 1.3439489 30 Ag 1.2888810 0.0407770 -0.0253995 0.1209575 0.6166446 -0.4611617 0.1062636 -0.4581225 1.3439489 31 Ag 1.2888810 -0.0407770 -0.0253995 -0.1209575 0.6166446 0.4611617 0.1062636 0.4581225 1.3439489 32 Ag 1.2888810 0.0407770 -0.0253995 0.1209575 0.6166446 -0.4611617 0.1062636 -0.4581225 1.3439489 33 Ag 1.2956760 -0.1481155 0.1684972 0.0119386 1.1736788 0.0136867 0.0395725 -0.1334822 0.9790124 34 Ag 1.2956760 0.1481155 0.1684972 -0.0119386 1.1736788 -0.0136867 0.0395725 0.1334822 0.9790124 35 Ag 1.2956760 -0.1481155 0.1684972 0.0119386 1.1736788 0.0136867 0.0395725 -0.1334822 0.9790124 36 Ag 1.2956760 0.1481155 0.1684972 -0.0119386 1.1736788 -0.0136867 0.0395725 0.1334822 0.9790124 37 Ag 1.1448616 0.2405997 -0.0542719 0.1391257 1.2313384 -0.2056582 0.0972746 -0.0396723 0.9459488 38 Ag 1.1448616 -0.2405997 -0.0542719 -0.1391257 1.2313384 0.2056582 0.0972746 0.0396723 0.9459488 39 Ag 1.1448616 0.2405997 -0.0542719 0.1391257 1.2313384 -0.2056582 0.0972746 -0.0396723 0.9459488 40 Ag 1.1448616 -0.2405997 -0.0542719 -0.1391257 1.2313384 0.2056582 0.0972746 0.0396723 0.9459488 ---------------------------------------------------------------------------- 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 19, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 41, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 57, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 73, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:56:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:56:59]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.422674267398997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.809209069999998 0.000000000000000 c -6.172625398396565 0.000000000000000 8.990342197947607 Atomic positions (fractional): 1 O 0.28139051278796 0.56533069680367 0.77783094137248 15.999 2 O 0.71860948721204 0.06533069680367 0.72216905862752 15.999 3 O 0.71860948721204 0.43466930319633 0.22216905862752 15.999 4 O 0.28139051278796 0.93466930319633 0.27783094137248 15.999 5 O 0.57640808894961 0.71072086900042 0.09089446498878 15.999 6 O 0.42359191105039 0.21072086900042 0.40910553501122 15.999 7 O 0.42359191105039 0.28927913099958 0.90910553501123 15.999 8 O 0.57640808894961 0.78927913099958 0.59089446498877 15.999 9 O 0.06979986822164 0.65567571538113 0.36033032828153 15.999 10 O 0.61046517711585 0.85835837237820 0.86063027990047 15.999 11 O 0.93020013177836 0.15567571538113 0.13966967171847 15.999 12 O 0.06979986822164 0.84432428461887 0.86033032828153 15.999 13 O 0.61046517711585 0.64164162762180 0.36063027990047 15.999 14 O 0.38953482288415 0.14164162762180 0.13936972009953 15.999 15 O 0.38953482288415 0.35835837237820 0.63936972009953 15.999 16 O 0.93020013177836 0.34432428461887 0.63966967171847 15.999 17 Ge 0.74506721389371 0.61301332530384 0.25767190356560 72.640 18 Ge 0.25493278610629 0.11301332530384 0.24232809643440 72.640 19 Ge 0.25493278610629 0.38698667469616 0.74232809643440 72.640 20 Ge 0.74506721389371 0.88698667469616 0.75767190356560 72.640 21 Ag 0.43288908633922 0.58175942227849 0.58962531408799 107.868 22 Ag 0.56711091366078 0.08175942227849 0.91037468591201 107.868 23 Ag 0.56711091366078 0.41824057772151 0.41037468591201 107.868 24 Ag 0.43288908633922 0.91824057772151 0.08962531408799 107.868 25 Ag 0.89870560116052 0.64474934555610 0.62070941603320 107.868 26 Ag 0.10129439883948 0.14474934555610 0.87929058396680 107.868 27 Ag 0.10129439883948 0.35525065444390 0.37929058396680 107.868 28 Ag 0.89870560116052 0.85525065444390 0.12070941603320 107.868 29 Ag 0.17298258770939 0.59365487958680 0.19858680508253 107.868 30 Ag 0.82701741229061 0.09365487958680 0.30141319491747 107.868 31 Ag 0.82701741229061 0.40634512041320 0.80141319491747 107.868 32 Ag 0.17298258770939 0.90634512041320 0.69858680508253 107.868 33 Ag 0.70114576786286 0.62231356060205 0.92259928652192 107.868 34 Ag 0.29885423213714 0.12231356060204 0.57740071347808 107.868 35 Ag 0.29885423213714 0.37768643939795 0.07740071347808 107.868 36 Ag 0.70114576786286 0.87768643939795 0.42259928652192 107.868 37 Ag 0.15191831734914 0.62490568655150 0.94228123311332 107.868 38 Ag 0.84808168265086 0.12490568655150 0.55771876688668 107.868 39 Ag 0.84808168265086 0.37509431344850 0.05771876688668 107.868 40 Ag 0.15191831734914 0.87509431344850 0.44228123311332 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.845348534797994 0.000000000000000 0.000000000000000 b 0.000000000000000 9.809209069999998 0.000000000000000 c -6.172625398396565 0.000000000000000 8.990342197947607 Atomic positions (fractional): 1 O 0.14069525639398 0.56533069680367 0.77783094137248 15.999 > 1 2 O 0.64069525639398 0.56533069680367 0.77783094137248 15.999 > 1 3 O 0.35930474360602 0.06533069680367 0.72216905862752 15.999 > 3 4 O 0.85930474360602 0.06533069680367 0.72216905862752 15.999 > 3 5 O 0.35930474360602 0.43466930319633 0.22216905862752 15.999 > 5 6 O 0.85930474360602 0.43466930319633 0.22216905862752 15.999 > 5 7 O 0.14069525639398 0.93466930319633 0.27783094137248 15.999 > 7 8 O 0.64069525639398 0.93466930319633 0.27783094137248 15.999 > 7 9 O 0.28820404447480 0.71072086900042 0.09089446498878 15.999 > 9 10 O 0.78820404447480 0.71072086900042 0.09089446498878 15.999 > 9 11 O 0.21179595552520 0.21072086900042 0.40910553501122 15.999 > 11 12 O 0.71179595552520 0.21072086900042 0.40910553501122 15.999 > 11 13 O 0.21179595552520 0.28927913099958 0.90910553501123 15.999 > 13 14 O 0.71179595552520 0.28927913099958 0.90910553501123 15.999 > 13 15 O 0.28820404447480 0.78927913099958 0.59089446498877 15.999 > 15 16 O 0.78820404447480 0.78927913099958 0.59089446498877 15.999 > 15 17 O 0.03489993411082 0.65567571538113 0.36033032828153 15.999 > 17 18 O 0.53489993411082 0.65567571538113 0.36033032828153 15.999 > 17 19 O 0.30523258855793 0.85835837237820 0.86063027990047 15.999 > 19 20 O 0.80523258855793 0.85835837237820 0.86063027990047 15.999 > 19 21 O 0.46510006588918 0.15567571538113 0.13966967171847 15.999 > 21 22 O 0.96510006588918 0.15567571538113 0.13966967171847 15.999 > 21 23 O 0.03489993411082 0.84432428461887 0.86033032828153 15.999 > 23 24 O 0.53489993411082 0.84432428461887 0.86033032828153 15.999 > 23 25 O 0.30523258855793 0.64164162762180 0.36063027990047 15.999 > 25 26 O 0.80523258855793 0.64164162762180 0.36063027990047 15.999 > 25 27 O 0.19476741144207 0.14164162762180 0.13936972009953 15.999 > 27 28 O 0.69476741144207 0.14164162762180 0.13936972009953 15.999 > 27 29 O 0.19476741144207 0.35835837237820 0.63936972009953 15.999 > 29 30 O 0.69476741144207 0.35835837237820 0.63936972009953 15.999 > 29 31 O 0.46510006588918 0.34432428461887 0.63966967171847 15.999 > 31 32 O 0.96510006588918 0.34432428461887 0.63966967171847 15.999 > 31 33 Ge 0.37253360694686 0.61301332530384 0.25767190356560 72.640 > 33 34 Ge 0.87253360694686 0.61301332530384 0.25767190356560 72.640 > 33 35 Ge 0.12746639305314 0.11301332530384 0.24232809643440 72.640 > 35 36 Ge 0.62746639305314 0.11301332530384 0.24232809643440 72.640 > 35 37 Ge 0.12746639305314 0.38698667469616 0.74232809643440 72.640 > 37 38 Ge 0.62746639305314 0.38698667469616 0.74232809643440 72.640 > 37 39 Ge 0.37253360694686 0.88698667469616 0.75767190356560 72.640 > 39 40 Ge 0.87253360694686 0.88698667469616 0.75767190356560 72.640 > 39 41 Ag 0.21644454316961 0.58175942227849 0.58962531408799 107.868 > 41 42 Ag 0.71644454316961 0.58175942227849 0.58962531408799 107.868 > 41 43 Ag 0.28355545683039 0.08175942227849 0.91037468591201 107.868 > 43 44 Ag 0.78355545683039 0.08175942227849 0.91037468591201 107.868 > 43 45 Ag 0.28355545683039 0.41824057772151 0.41037468591201 107.868 > 45 46 Ag 0.78355545683039 0.41824057772151 0.41037468591201 107.868 > 45 47 Ag 0.21644454316961 0.91824057772151 0.08962531408799 107.868 > 47 48 Ag 0.71644454316961 0.91824057772151 0.08962531408799 107.868 > 47 49 Ag 0.44935280058026 0.64474934555610 0.62070941603320 107.868 > 49 50 Ag 0.94935280058026 0.64474934555610 0.62070941603320 107.868 > 49 51 Ag 0.05064719941974 0.14474934555610 0.87929058396680 107.868 > 51 52 Ag 0.55064719941974 0.14474934555610 0.87929058396680 107.868 > 51 53 Ag 0.05064719941974 0.35525065444390 0.37929058396680 107.868 > 53 54 Ag 0.55064719941974 0.35525065444390 0.37929058396680 107.868 > 53 55 Ag 0.44935280058026 0.85525065444390 0.12070941603320 107.868 > 55 56 Ag 0.94935280058026 0.85525065444390 0.12070941603320 107.868 > 55 57 Ag 0.08649129385470 0.59365487958680 0.19858680508253 107.868 > 57 58 Ag 0.58649129385470 0.59365487958680 0.19858680508253 107.868 > 57 59 Ag 0.41350870614530 0.09365487958680 0.30141319491747 107.868 > 59 60 Ag 0.91350870614530 0.09365487958680 0.30141319491747 107.868 > 59 61 Ag 0.41350870614530 0.40634512041320 0.80141319491747 107.868 > 61 62 Ag 0.91350870614530 0.40634512041320 0.80141319491747 107.868 > 61 63 Ag 0.08649129385470 0.90634512041320 0.69858680508253 107.868 > 63 64 Ag 0.58649129385470 0.90634512041320 0.69858680508253 107.868 > 63 65 Ag 0.35057288393143 0.62231356060205 0.92259928652192 107.868 > 65 66 Ag 0.85057288393143 0.62231356060205 0.92259928652192 107.868 > 65 67 Ag 0.14942711606857 0.12231356060204 0.57740071347808 107.868 > 67 68 Ag 0.64942711606857 0.12231356060204 0.57740071347808 107.868 > 67 69 Ag 0.14942711606857 0.37768643939795 0.07740071347808 107.868 > 69 70 Ag 0.64942711606857 0.37768643939795 0.07740071347808 107.868 > 69 71 Ag 0.35057288393143 0.87768643939795 0.42259928652192 107.868 > 71 72 Ag 0.85057288393143 0.87768643939795 0.42259928652192 107.868 > 71 73 Ag 0.07595915867457 0.62490568655150 0.94228123311332 107.868 > 73 74 Ag 0.57595915867457 0.62490568655150 0.94228123311332 107.868 > 73 75 Ag 0.42404084132543 0.12490568655150 0.55771876688668 107.868 > 75 76 Ag 0.92404084132543 0.12490568655150 0.55771876688668 107.868 > 75 77 Ag 0.42404084132543 0.37509431344850 0.05771876688668 107.868 > 77 78 Ag 0.92404084132543 0.37509431344850 0.05771876688668 107.868 > 77 79 Ag 0.07595915867457 0.87509431344850 0.44228123311332 107.868 > 79 80 Ag 0.57595915867457 0.87509431344850 0.44228123311332 107.868 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.3513837 0.0000000 0.7342853 0.0000000 9.4355664 0.0000000 0.7342816 0.0000000 10.9650157 -------------------------- Born effective charges -------------------------- 1 O -2.6330938 0.2375619 0.0031509 0.2920454 -2.5931682 -0.1576829 0.0314081 -0.1721161 -1.8588150 2 O -2.6330938 -0.2375619 0.0031509 -0.2920454 -2.5931682 0.1576829 0.0314081 0.1721161 -1.8588150 3 O -2.6330938 0.2375619 0.0031509 0.2920454 -2.5931682 -0.1576829 0.0314081 -0.1721161 -1.8588150 4 O -2.6330938 -0.2375619 0.0031509 -0.2920454 -2.5931682 0.1576829 0.0314081 0.1721161 -1.8588150 5 O -2.3028610 -0.2655111 -0.0463303 0.0169072 -2.2620773 0.3624346 0.0221321 -0.1373587 -2.1429520 6 O -2.3028610 0.2655111 -0.0463303 -0.0169072 -2.2620773 -0.3624346 0.0221321 0.1373587 -2.1429520 7 O -2.3028610 -0.2655111 -0.0463303 0.0169072 -2.2620773 0.3624346 0.0221321 -0.1373587 -2.1429520 8 O -2.3028610 0.2655111 -0.0463303 -0.0169072 -2.2620773 -0.3624346 0.0221321 0.1373587 -2.1429520 9 O -2.2163098 0.0092670 -0.2519208 0.1038109 -2.3327133 -0.4195101 -0.2451189 -0.2673147 -2.2061809 10 O -2.3699084 0.2483905 0.3452447 0.3245438 -1.9995587 0.5561017 -0.1546314 0.6838358 -2.3054567 11 O -2.2163098 -0.0092670 -0.2519208 -0.1038109 -2.3327133 0.4195101 -0.2451189 0.2673147 -2.2061809 12 O -2.2163098 -0.0092670 -0.2519208 -0.1038109 -2.3327133 0.4195101 -0.2451189 0.2673147 -2.2061809 13 O -2.3699084 -0.2483905 0.3452447 -0.3245438 -1.9995587 -0.5561017 -0.1546314 -0.6838358 -2.3054567 14 O -2.3699084 0.2483905 0.3452447 0.3245438 -1.9995587 0.5561017 -0.1546314 0.6838358 -2.3054567 15 O -2.3699084 -0.2483905 0.3452447 -0.3245438 -1.9995587 -0.5561017 -0.1546314 -0.6838358 -2.3054567 16 O -2.2163098 0.0092670 -0.2519208 0.1038109 -2.3327133 -0.4195101 -0.2451189 -0.2673147 -2.2061809 17 Ge 3.5523314 -0.0373401 -0.3084240 0.1240524 3.2730867 -0.1705907 -0.0809016 0.2346148 2.6071594 18 Ge 3.5523314 0.0373401 -0.3084240 -0.1240524 3.2730867 0.1705907 -0.0809016 -0.2346148 2.6071594 19 Ge 3.5523314 -0.0373401 -0.3084240 0.1240524 3.2730867 -0.1705907 -0.0809016 0.2346148 2.6071594 20 Ge 3.5523314 0.0373401 -0.3084240 -0.1240524 3.2730867 0.1705907 -0.0809016 -0.2346148 2.6071594 21 Ag 1.0336726 0.3651110 0.0470331 0.3894092 1.6673540 -0.1664667 0.0150995 -0.4033475 1.1544675 22 Ag 1.0336726 -0.3651110 0.0470331 -0.3894092 1.6673540 0.1664667 0.0150995 0.4033475 1.1544675 23 Ag 1.0336726 0.3651110 0.0470331 0.3894092 1.6673540 -0.1664667 0.0150995 -0.4033475 1.1544675 24 Ag 1.0336726 -0.3651110 0.0470331 -0.3894092 1.6673540 0.1664667 0.0150995 0.4033475 1.1544675 25 Ag 1.2067503 -0.5478784 0.1224206 -0.7057174 1.2254150 0.0568622 0.1689016 -0.0383125 1.4828676 26 Ag 1.2067503 0.5478784 0.1224206 0.7057174 1.2254150 -0.0568622 0.1689016 0.0383125 1.4828676 27 Ag 1.2067503 -0.5478784 0.1224206 -0.7057174 1.2254150 0.0568622 0.1689016 -0.0383125 1.4828676 28 Ag 1.2067503 0.5478784 0.1224206 0.7057174 1.2254150 -0.0568622 0.1689016 0.0383125 1.4828676 29 Ag 1.2888810 -0.0407770 -0.0253995 -0.1209575 0.6166446 0.4611617 0.1062636 0.4581225 1.3439489 30 Ag 1.2888810 0.0407770 -0.0253995 0.1209575 0.6166446 -0.4611617 0.1062636 -0.4581225 1.3439489 31 Ag 1.2888810 -0.0407770 -0.0253995 -0.1209575 0.6166446 0.4611617 0.1062636 0.4581225 1.3439489 32 Ag 1.2888810 0.0407770 -0.0253995 0.1209575 0.6166446 -0.4611617 0.1062636 -0.4581225 1.3439489 33 Ag 1.2956760 -0.1481155 0.1684972 0.0119386 1.1736788 0.0136867 0.0395725 -0.1334822 0.9790124 34 Ag 1.2956760 0.1481155 0.1684972 -0.0119386 1.1736788 -0.0136867 0.0395725 0.1334822 0.9790124 35 Ag 1.2956760 -0.1481155 0.1684972 0.0119386 1.1736788 0.0136867 0.0395725 -0.1334822 0.9790124 36 Ag 1.2956760 0.1481155 0.1684972 -0.0119386 1.1736788 -0.0136867 0.0395725 0.1334822 0.9790124 37 Ag 1.1448616 0.2405997 -0.0542719 0.1391257 1.2313384 -0.2056582 0.0972746 -0.0396723 0.9459488 38 Ag 1.1448616 -0.2405997 -0.0542719 -0.1391257 1.2313384 0.2056582 0.0972746 0.0396723 0.9459488 39 Ag 1.1448616 0.2405997 -0.0542719 0.1391257 1.2313384 -0.2056582 0.0972746 -0.0396723 0.9459488 40 Ag 1.1448616 -0.2405997 -0.0542719 -0.1391257 1.2313384 0.2056582 0.0972746 0.0396723 0.9459488 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) --------------------------- 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 ... [ 9 5 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.850 ( 0.000 0.000 0.000) 0.000 0.948 ( 0.000 0.000 0.000) 0.000 1.036 ( 0.000 0.000 0.000) 0.000 1.136 ( 0.000 0.000 0.000) 0.000 1.230 ( 0.000 0.000 0.000) 0.000 1.475 ( 0.000 0.000 0.000) 0.000 1.497 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.045 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 0.000) 0.000 2.122 ( 0.000 0.000 0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 2.820 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.696 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.807 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 4.954 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.124 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.866 ( 0.000 0.000 0.000) 0.000 6.086 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.384 ( 0.000 0.000 0.000) 0.000 6.533 ( 0.000 0.000 0.000) 0.000 6.768 ( 0.000 0.000 0.000) 0.000 7.470 ( 0.000 0.000 0.000) 0.000 8.324 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.630 ( 0.000 0.000 0.000) 0.000 8.898 ( 0.000 0.000 0.000) 0.000 8.931 ( 0.000 0.000 0.000) 0.000 9.220 ( 0.000 0.000 0.000) 0.000 9.281 ( 0.000 0.000 0.000) 0.000 9.347 ( 0.000 0.000 0.000) 0.000 9.616 ( 0.000 0.000 0.000) 0.000 9.647 ( 0.000 0.000 0.000) 0.000 9.715 ( 0.000 0.000 0.000) 0.000 9.832 ( 0.000 0.000 0.000) 0.000 9.981 ( 0.000 0.000 0.000) 0.000 10.100 ( 0.000 0.000 0.000) 0.000 10.170 ( 0.000 0.000 0.000) 0.000 10.377 ( 0.000 0.000 0.000) 0.000 10.784 ( 0.000 0.000 0.000) 0.000 10.942 ( 0.000 0.000 0.000) 0.000 11.016 ( 0.000 0.000 0.000) 0.000 11.525 ( 0.000 0.000 0.000) 0.000 12.203 ( 0.000 0.000 0.000) 0.000 12.274 ( 0.000 0.000 0.000) 0.000 12.326 ( 0.000 0.000 0.000) 0.000 12.610 ( 0.000 0.000 0.000) 0.000 18.743 ( 0.000 0.000 0.000) 0.000 18.867 ( 0.000 0.000 0.000) 0.000 19.054 ( 0.000 0.000 0.000) 0.000 19.245 ( 0.000 0.000 0.000) 0.000 19.444 ( 0.000 0.000 0.000) 0.000 19.549 ( 0.000 0.000 0.000) 0.000 19.603 ( 0.000 0.000 0.000) 0.000 19.605 ( 0.000 0.000 0.000) 0.000 19.649 ( 0.000 0.000 0.000) 0.000 19.743 ( 0.000 0.000 0.000) 0.000 19.930 ( 0.000 0.000 0.000) 0.000 19.934 ( 0.000 0.000 0.000) 0.000 20.302 ( 0.000 0.000 0.000) 0.000 20.354 ( 0.000 0.000 0.000) 0.000 20.356 ( 0.000 0.000 0.000) 0.000 20.377 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 13.399 0.000 8.935) 16.105 0.387 ( 13.704 0.000 12.155) 18.318 0.853 ( 21.301 0.000 18.308) 28.088 0.882 ( 2.888 0.000 0.942) 3.038 0.989 ( 2.612 0.000 2.878) 3.887 1.017 ( 8.331 0.000 -4.639) 9.536 1.156 ( 1.780 0.000 -0.787) 1.946 1.262 ( 2.052 0.000 0.643) 2.150 1.457 ( 1.461 0.000 0.352) 1.503 1.511 ( 2.531 0.000 -1.132) 2.772 1.568 ( 0.182 0.000 -2.828) 2.834 1.626 ( 4.881 0.000 3.927) 6.265 1.675 ( 4.602 0.000 -3.156) 5.580 1.743 ( 1.891 0.000 2.329) 3.000 1.777 ( 1.645 0.000 2.124) 2.686 1.840 ( -0.256 0.000 -4.493) 4.500 1.892 ( 1.553 0.000 0.697) 1.703 1.911 ( -0.207 0.000 -0.399) 0.449 1.997 ( 1.410 0.000 -4.800) 5.003 2.037 ( 1.481 0.000 1.104) 1.847 2.038 ( 0.299 0.000 -0.793) 0.847 2.083 ( 1.236 0.000 0.552) 1.354 2.119 ( 1.438 0.000 1.714) 2.237 2.238 ( 1.314 0.000 7.396) 7.512 2.254 ( -2.785 0.000 -3.208) 4.249 2.356 ( 1.051 0.000 1.880) 2.153 2.368 ( 0.822 0.000 1.801) 1.980 2.527 ( -1.981 0.000 -1.615) 2.556 2.535 ( 3.155 0.000 0.733) 3.239 2.664 ( -4.253 0.000 -2.458) 4.912 2.706 ( 4.102 0.000 -0.007) 4.102 2.743 ( -0.096 0.000 -1.897) 1.900 2.751 ( 1.772 0.000 -1.846) 2.559 2.811 ( -1.501 0.000 -2.322) 2.765 2.820 ( -1.312 0.000 -1.025) 1.665 2.864 ( 2.553 0.000 1.208) 2.825 2.951 ( 2.472 0.000 0.294) 2.489 2.982 ( -1.970 0.000 0.251) 1.986 3.037 ( -8.429 0.000 2.703) 8.852 3.075 ( -2.177 0.000 2.490) 3.307 3.129 ( 0.446 0.000 2.528) 2.567 3.176 ( -3.681 0.000 -0.854) 3.779 3.221 ( -0.804 0.000 -1.192) 1.438 3.299 ( -0.124 0.000 0.947) 0.955 3.367 ( 1.135 0.000 0.452) 1.221 3.496 ( 6.132 0.000 -6.649) 9.045 3.552 ( 2.873 0.000 2.526) 3.825 3.571 ( 2.603 0.000 -4.796) 5.457 3.721 ( 3.448 0.000 -3.246) 4.736 3.814 ( -3.818 0.000 -0.496) 3.850 3.881 ( 0.666 0.000 -3.391) 3.456 3.989 ( 2.975 0.000 -0.971) 3.129 4.078 ( 2.966 0.000 1.553) 3.349 4.333 ( -1.252 0.000 -2.568) 2.857 4.376 ( -2.326 0.000 3.654) 4.331 4.399 ( -3.670 0.000 0.672) 3.731 4.433 ( -0.593 0.000 4.834) 4.870 4.522 ( 1.458 0.000 0.096) 1.461 4.547 ( 2.098 0.000 -0.662) 2.200 4.719 ( -6.413 0.000 0.772) 6.459 4.787 ( -2.661 0.000 1.055) 2.862 4.833 ( -0.553 0.000 -2.275) 2.341 4.996 ( 4.815 0.000 -4.917) 6.882 5.009 ( -0.507 0.000 -0.212) 0.550 5.063 ( -0.210 0.000 1.430) 1.446 5.099 ( 2.275 0.000 3.737) 4.375 5.107 ( -2.099 0.000 2.075) 2.951 5.260 ( -2.829 0.000 -2.357) 3.682 5.292 ( 1.044 0.000 0.871) 1.360 5.460 ( -0.544 0.000 -4.106) 4.142 5.533 ( 3.454 0.000 1.080) 3.619 5.684 ( 3.490 0.000 -2.510) 4.298 5.899 ( -0.697 0.000 4.613) 4.665 6.080 ( -0.799 0.000 0.068) 0.801 6.308 ( 2.423 0.000 0.989) 2.617 6.378 ( 3.202 0.000 1.043) 3.367 6.415 ( 2.743 0.000 -0.593) 2.806 6.565 ( 1.457 0.000 1.931) 2.419 6.813 ( 3.094 0.000 2.189) 3.790 7.479 ( 3.706 0.000 -3.911) 5.388 8.279 ( -0.364 0.000 -6.320) 6.331 8.408 ( 4.039 0.000 -4.201) 5.828 8.647 ( 1.150 0.000 0.881) 1.449 8.864 ( -3.695 0.000 -1.448) 3.968 8.948 ( 1.553 0.000 1.114) 1.911 9.214 ( 4.326 0.000 -2.027) 4.778 9.296 ( -0.377 0.000 3.177) 3.199 9.441 ( 3.282 0.000 4.301) 5.410 9.645 ( 0.379 0.000 4.624) 4.639 9.736 ( -0.717 0.000 4.929) 4.981 9.773 ( -5.732 0.000 -0.715) 5.777 9.849 ( 10.315 0.000 -13.268) 16.806 9.979 ( -0.183 0.000 -0.128) 0.224 10.108 ( 0.960 0.000 -0.278) 0.999 10.139 ( -1.560 0.000 -2.093) 2.610 10.382 ( 0.445 0.000 -1.646) 1.705 10.778 ( -1.175 0.000 0.876) 1.466 10.921 ( -1.994 0.000 -0.417) 2.037 11.177 ( -8.627 0.000 11.047) 14.017 11.421 ( -8.785 0.000 -1.931) 8.995 12.276 ( 6.088 0.000 1.226) 6.210 12.283 ( 1.477 0.000 -0.457) 1.547 12.582 ( -1.119 0.000 -2.549) 2.784 13.140 ( 6.336 0.000 -13.730) 15.121 18.757 ( -1.567 0.000 3.794) 4.105 18.875 ( 0.417 0.000 0.582) 0.716 19.060 ( 0.640 0.000 0.087) 0.646 19.245 ( -0.832 0.000 1.226) 1.481 19.439 ( -0.619 0.000 0.109) 0.629 19.539 ( -1.637 0.000 0.829) 1.835 19.540 ( -4.657 0.000 -1.803) 4.994 19.642 ( -3.466 0.000 1.064) 3.625 19.748 ( 2.797 0.000 -2.285) 3.612 19.858 ( 4.337 0.000 -5.330) 6.871 19.905 ( 0.904 0.000 -4.048) 4.147 19.970 ( 2.260 0.000 -1.300) 2.607 20.318 ( 1.031 0.000 1.001) 1.437 20.390 ( 0.952 0.000 0.631) 1.143 20.390 ( 2.285 0.000 1.469) 2.716 20.479 ( 2.934 0.000 -3.382) 4.477 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 6.524 0.000 0.649) 6.557 0.760 ( 13.479 0.000 10.978) 17.384 0.868 ( 0.475 0.000 0.651) 0.805 0.953 ( 3.346 0.000 1.048) 3.507 1.099 ( 4.104 0.000 5.339) 6.735 1.111 ( -0.835 0.000 -2.714) 2.839 1.302 ( 1.134 0.000 2.615) 2.851 1.437 ( 6.960 0.000 -2.983) 7.573 1.541 ( 0.985 0.000 -1.513) 1.806 1.543 ( 5.855 0.000 1.529) 6.052 1.662 ( 7.025 0.000 5.374) 8.845 1.684 ( -1.946 0.000 2.037) 2.818 1.742 ( 4.524 0.000 -2.087) 4.982 1.754 ( 0.052 0.000 -3.397) 3.398 1.828 ( 4.177 0.000 -1.217) 4.351 1.883 ( 5.323 0.000 7.945) 9.564 1.935 ( 2.711 0.000 -0.216) 2.720 1.957 ( 5.972 0.000 2.406) 6.438 1.993 ( 1.942 0.000 0.004) 1.942 2.060 ( 2.822 0.000 0.340) 2.842 2.090 ( 2.801 0.000 -1.804) 3.332 2.129 ( 2.843 0.000 0.843) 2.965 2.200 ( 6.294 0.000 5.920) 8.641 2.205 ( 0.080 0.000 -0.935) 0.938 2.316 ( 0.205 0.000 3.160) 3.167 2.399 ( 1.100 0.000 0.606) 1.256 2.407 ( -3.177 0.000 -6.615) 7.339 2.432 ( -3.537 0.000 0.062) 3.537 2.493 ( 1.729 0.000 0.939) 1.967 2.631 ( 2.862 0.000 -0.075) 2.863 2.645 ( -8.470 0.000 -3.970) 9.355 2.676 ( -5.009 0.000 -4.076) 6.458 2.772 ( 3.510 0.000 -1.189) 3.706 2.807 ( 4.270 0.000 -1.445) 4.508 2.815 ( 4.105 0.000 -3.843) 5.623 2.919 ( -1.755 0.000 -1.468) 2.288 2.947 ( 0.419 0.000 5.439) 5.455 2.984 ( -4.000 0.000 -1.031) 4.131 3.016 ( 2.353 0.000 4.482) 5.062 3.075 ( 2.849 0.000 0.954) 3.004 3.139 ( -1.648 0.000 4.571) 4.859 3.187 ( -4.140 0.000 2.041) 4.616 3.208 ( 4.076 0.000 1.247) 4.263 3.324 ( 2.446 0.000 -0.028) 2.446 3.412 ( 3.184 0.000 0.746) 3.271 3.537 ( 6.101 0.000 -5.312) 8.089 3.565 ( 4.123 0.000 -4.960) 6.450 3.572 ( -1.794 0.000 0.046) 1.795 3.695 ( -0.659 0.000 -2.709) 2.788 3.766 ( -0.332 0.000 -1.425) 1.463 3.881 ( 5.208 0.000 -5.726) 7.741 3.994 ( 0.746 0.000 -3.305) 3.388 4.137 ( -0.390 0.000 3.534) 3.556 4.260 ( -2.715 0.000 -1.864) 3.293 4.316 ( -7.204 0.000 0.722) 7.240 4.436 ( 1.696 0.000 5.387) 5.647 4.504 ( -0.510 0.000 7.046) 7.065 4.539 ( -4.369 0.000 0.108) 4.370 4.549 ( 1.727 0.000 -0.573) 1.819 4.655 ( -0.118 0.000 0.138) 0.182 4.756 ( -1.930 0.000 0.952) 2.152 4.774 ( -3.011 0.000 -1.656) 3.436 4.970 ( -0.841 0.000 -5.515) 5.579 4.977 ( -2.614 0.000 -1.947) 3.259 5.016 ( -4.092 0.000 -0.089) 4.093 5.061 ( -3.183 0.000 -1.980) 3.749 5.163 ( 1.463 0.000 6.531) 6.692 5.313 ( 1.273 0.000 3.080) 3.333 5.375 ( 7.794 0.000 2.939) 8.330 5.426 ( 2.916 0.000 -3.857) 4.835 5.574 ( 0.675 0.000 0.414) 0.792 5.720 ( 3.653 0.000 -2.750) 4.572 5.919 ( -2.480 0.000 2.936) 3.843 6.058 ( -1.880 0.000 0.060) 1.881 6.380 ( 3.686 0.000 1.668) 4.046 6.419 ( 0.105 0.000 -3.103) 3.105 6.469 ( 4.178 0.000 2.794) 5.026 6.646 ( 5.135 0.000 0.962) 5.224 6.894 ( 2.501 0.000 1.819) 3.093 7.504 ( 6.039 0.000 -6.174) 8.636 8.229 ( 4.357 0.000 -6.152) 7.539 8.447 ( 6.860 0.000 -4.589) 8.253 8.683 ( 1.304 0.000 1.322) 1.857 8.758 ( -5.417 0.000 -1.512) 5.624 9.025 ( 5.087 0.000 2.539) 5.685 9.310 ( 6.902 0.000 -1.044) 6.980 9.346 ( 0.319 0.000 5.000) 5.010 9.503 ( 1.974 0.000 -0.431) 2.021 9.646 ( -6.982 0.000 -0.694) 7.017 9.728 ( -0.295 0.000 7.461) 7.467 9.788 ( -0.117 0.000 4.311) 4.313 9.899 ( 6.212 0.000 -1.970) 6.516 9.970 ( -1.667 0.000 0.911) 1.899 10.074 ( -1.834 0.000 -4.072) 4.466 10.122 ( 1.173 0.000 -0.616) 1.325 10.314 ( -3.423 0.000 -5.599) 6.562 10.773 ( -0.862 0.000 1.713) 1.918 10.869 ( -3.688 0.000 -0.069) 3.689 11.145 ( -7.261 0.000 6.504) 9.749 11.237 ( -9.624 0.000 -0.555) 9.640 12.318 ( 2.990 0.000 -0.172) 2.995 12.392 ( 4.782 0.000 0.683) 4.830 12.533 ( 0.954 0.000 -4.035) 4.147 13.064 ( -0.403 0.000 -7.557) 7.568 18.782 ( -0.219 0.000 2.795) 2.804 18.891 ( 0.476 0.000 0.670) 0.822 19.077 ( 1.188 0.000 -0.069) 1.190 19.244 ( -2.101 0.000 2.667) 3.395 19.422 ( -4.672 0.000 -3.526) 5.853 19.427 ( -1.060 0.000 0.257) 1.091 19.517 ( -1.926 0.000 0.898) 2.125 19.547 ( -6.334 0.000 -1.512) 6.512 19.787 ( 3.654 0.000 -1.046) 3.801 19.878 ( 2.926 0.000 -1.834) 3.453 19.890 ( 2.408 0.000 -3.206) 4.010 20.004 ( 2.506 0.000 -0.045) 2.507 20.355 ( 1.607 0.000 1.091) 1.942 20.408 ( 0.509 0.000 0.131) 0.526 20.450 ( 2.610 0.000 0.797) 2.729 20.496 ( 2.533 0.000 -1.821) 3.120 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -2.250 0.000 -8.287) 8.587 1.000 ( 3.161 0.000 1.216) 3.387 1.010 ( 3.798 0.000 -0.119) 3.799 1.094 ( 2.931 0.000 3.984) 4.946 1.111 ( 10.681 0.000 10.498) 14.976 1.227 ( 3.134 0.000 4.084) 5.148 1.384 ( 3.612 0.000 4.215) 5.551 1.443 ( 2.079 0.000 -4.788) 5.220 1.544 ( 0.699 0.000 -0.919) 1.155 1.629 ( 1.208 0.000 0.215) 1.227 1.639 ( -2.616 0.000 -2.562) 3.662 1.691 ( 1.971 0.000 1.027) 2.223 1.752 ( -2.074 0.000 1.221) 2.407 1.805 ( 1.135 0.000 3.327) 3.516 1.882 ( 4.076 0.000 -4.665) 6.195 1.909 ( -1.311 0.000 -0.197) 1.325 1.959 ( 2.201 0.000 -2.201) 3.113 2.032 ( 1.415 0.000 0.012) 1.415 2.085 ( -2.394 0.000 -6.291) 6.731 2.086 ( 0.665 0.000 -1.380) 1.532 2.134 ( 4.026 0.000 1.826) 4.421 2.146 ( 0.410 0.000 -0.681) 0.795 2.208 ( -0.669 0.000 0.033) 0.670 2.241 ( 2.261 0.000 -0.188) 2.269 2.264 ( 0.211 0.000 -2.391) 2.400 2.390 ( -1.813 0.000 -2.560) 3.137 2.449 ( -1.091 0.000 -2.153) 2.414 2.477 ( -0.835 0.000 2.093) 2.253 2.485 ( 1.151 0.000 3.854) 4.022 2.566 ( -3.590 0.000 -0.870) 3.694 2.691 ( 8.667 0.000 5.180) 10.097 2.708 ( 4.978 0.000 -0.640) 5.019 2.781 ( -5.469 0.000 -0.463) 5.489 2.807 ( 2.278 0.000 0.388) 2.311 2.844 ( 4.336 0.000 -1.230) 4.507 2.887 ( -0.740 0.000 -0.131) 0.751 2.938 ( 3.897 0.000 -2.177) 4.464 3.031 ( 2.676 0.000 3.118) 4.109 3.100 ( -1.004 0.000 -2.641) 2.825 3.119 ( 3.349 0.000 3.895) 5.137 3.187 ( 1.470 0.000 0.566) 1.575 3.190 ( 1.491 0.000 5.548) 5.744 3.288 ( 4.471 0.000 3.571) 5.723 3.435 ( 5.192 0.000 7.791) 9.362 3.472 ( 3.069 0.000 -1.311) 3.338 3.511 ( -1.563 0.000 -2.416) 2.878 3.573 ( 3.186 0.000 -1.593) 3.562 3.590 ( 3.019 0.000 -1.751) 3.490 3.714 ( 4.901 0.000 0.305) 4.910 3.758 ( 0.206 0.000 -1.026) 1.046 3.915 ( 5.172 0.000 -3.761) 6.395 3.961 ( 1.619 0.000 -4.352) 4.644 4.158 ( -1.576 0.000 3.227) 3.591 4.161 ( -8.151 0.000 -1.404) 8.271 4.226 ( -2.583 0.000 1.447) 2.961 4.415 ( -8.575 0.000 2.960) 9.072 4.480 ( -4.339 0.000 -1.130) 4.484 4.542 ( -0.780 0.000 0.915) 1.202 4.580 ( -0.860 0.000 4.725) 4.803 4.659 ( 0.191 0.000 -3.694) 3.699 4.713 ( -0.508 0.000 -1.821) 1.891 4.743 ( -0.370 0.000 -0.797) 0.878 4.879 ( -2.461 0.000 -2.046) 3.200 4.882 ( -3.621 0.000 -2.353) 4.319 4.943 ( -3.657 0.000 -1.267) 3.870 5.024 ( -1.256 0.000 2.253) 2.579 5.293 ( 3.507 0.000 7.134) 7.950 5.322 ( -0.778 0.000 -1.047) 1.305 5.470 ( 4.807 0.000 -0.614) 4.846 5.553 ( 3.702 0.000 1.882) 4.152 5.599 ( 6.834 0.000 -0.710) 6.871 5.733 ( 2.413 0.000 -3.966) 4.642 5.887 ( -3.687 0.000 1.041) 3.831 6.013 ( -3.517 0.000 0.188) 3.522 6.352 ( -2.904 0.000 -3.117) 4.260 6.462 ( 3.095 0.000 1.703) 3.533 6.579 ( 3.506 0.000 4.008) 5.325 6.729 ( 4.621 0.000 -2.174) 5.107 6.922 ( 0.027 0.000 -0.770) 0.770 7.536 ( 5.373 0.000 -5.377) 7.601 8.298 ( 8.948 0.000 -2.322) 9.244 8.546 ( 8.327 0.000 -1.039) 8.392 8.658 ( -5.269 0.000 0.202) 5.273 8.721 ( 0.784 0.000 1.858) 2.016 9.175 ( 8.334 0.000 2.132) 8.603 9.365 ( 1.087 0.000 -2.182) 2.438 9.396 ( -0.770 0.000 1.905) 2.055 9.545 ( 3.491 0.000 -0.229) 3.499 9.556 ( -4.054 0.000 3.457) 5.328 9.796 ( 2.176 0.000 2.183) 3.082 9.839 ( 1.428 0.000 2.313) 2.718 9.898 ( -6.336 0.000 -3.860) 7.419 9.982 ( 0.587 0.000 3.876) 3.920 9.997 ( -1.594 0.000 -1.938) 2.509 10.132 ( 0.544 0.000 -0.304) 0.623 10.180 ( -2.833 0.000 -5.121) 5.853 10.785 ( -5.532 0.000 -0.425) 5.548 10.799 ( 1.682 0.000 1.873) 2.517 11.079 ( -7.498 0.000 4.062) 8.528 11.095 ( -6.564 0.000 0.455) 6.580 12.382 ( 3.875 0.000 0.799) 3.956 12.434 ( 0.605 0.000 -0.024) 0.605 12.549 ( 4.924 0.000 -3.084) 5.810 12.955 ( -2.961 0.000 -5.290) 6.062 18.812 ( 0.197 0.000 2.044) 2.053 18.904 ( 0.282 0.000 0.353) 0.452 19.097 ( 1.664 0.000 -0.700) 1.806 19.228 ( -4.334 0.000 3.479) 5.558 19.319 ( -2.601 0.000 -2.043) 3.308 19.411 ( -1.005 0.000 0.295) 1.048 19.417 ( -4.124 0.000 -4.066) 5.791 19.497 ( -1.282 0.000 0.540) 1.391 19.839 ( 2.513 0.000 0.380) 2.542 19.903 ( 2.154 0.000 -1.714) 2.752 19.914 ( 2.308 0.000 0.142) 2.313 20.047 ( 1.942 0.000 0.347) 1.973 20.395 ( 1.606 0.000 0.720) 1.760 20.411 ( 0.196 0.000 -0.427) 0.470 20.493 ( 1.881 0.000 -0.127) 1.885 20.517 ( 1.704 0.000 -1.155) 2.058 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -1.115 0.000 -4.194) 4.340 0.990 ( -0.212 0.000 -1.356) 1.372 1.074 ( 2.556 0.000 1.101) 2.783 1.240 ( 3.075 0.000 4.166) 5.178 1.277 ( 0.811 0.000 0.082) 0.815 1.377 ( 6.089 0.000 8.391) 10.367 1.421 ( 0.755 0.000 -2.469) 2.582 1.493 ( 2.275 0.000 1.263) 2.602 1.543 ( -0.285 0.000 0.763) 0.814 1.579 ( -1.318 0.000 -1.607) 2.079 1.623 ( -6.796 0.000 -1.896) 7.056 1.649 ( 3.673 0.000 -7.169) 8.055 1.737 ( -0.185 0.000 4.488) 4.492 1.825 ( -1.122 0.000 0.823) 1.391 1.899 ( 2.005 0.000 0.224) 2.017 1.916 ( 0.888 0.000 1.457) 1.706 1.964 ( -2.132 0.000 -2.478) 3.269 1.986 ( 1.516 0.000 -2.299) 2.754 2.029 ( 0.282 0.000 -2.031) 2.050 2.081 ( -0.262 0.000 -0.101) 0.281 2.147 ( 0.150 0.000 -1.860) 1.866 2.162 ( -0.007 0.000 1.052) 1.052 2.190 ( -1.423 0.000 -1.561) 2.113 2.281 ( 0.355 0.000 -0.466) 0.586 2.288 ( 1.191 0.000 1.279) 1.748 2.323 ( 0.004 0.000 -0.439) 0.439 2.420 ( 1.986 0.000 -1.677) 2.600 2.481 ( 0.354 0.000 1.497) 1.538 2.507 ( -2.200 0.000 -0.433) 2.242 2.570 ( 0.638 0.000 2.033) 2.130 2.631 ( -4.242 0.000 -1.801) 4.609 2.716 ( -0.648 0.000 -1.903) 2.010 2.799 ( 0.419 0.000 0.411) 0.587 2.855 ( 1.715 0.000 1.495) 2.276 2.898 ( 1.619 0.000 0.628) 1.736 2.933 ( 1.723 0.000 1.669) 2.399 3.006 ( 3.328 0.000 0.144) 3.331 3.061 ( 0.149 0.000 -3.028) 3.032 3.080 ( -0.179 0.000 0.727) 0.749 3.137 ( 0.179 0.000 0.848) 0.866 3.193 ( -1.397 0.000 0.442) 1.465 3.257 ( 1.326 0.000 0.187) 1.339 3.398 ( -0.833 0.000 -0.650) 1.057 3.502 ( 1.418 0.000 0.461) 1.491 3.589 ( -2.189 0.000 3.083) 3.781 3.621 ( 4.362 0.000 3.374) 5.515 3.623 ( 4.215 0.000 -4.182) 5.938 3.684 ( 15.568 0.000 11.078) 19.107 3.736 ( -0.558 0.000 -1.631) 1.724 3.822 ( 4.491 0.000 1.116) 4.628 3.952 ( 2.327 0.000 -1.737) 2.904 3.961 ( 2.211 0.000 -1.954) 2.950 4.024 ( -5.818 0.000 1.244) 5.949 4.153 ( -2.818 0.000 0.158) 2.822 4.205 ( -0.869 0.000 -0.299) 0.919 4.256 ( -9.951 0.000 -4.538) 10.937 4.354 ( -4.341 0.000 1.485) 4.588 4.536 ( -0.146 0.000 -0.033) 0.150 4.583 ( -1.651 0.000 -2.997) 3.422 4.618 ( 0.108 0.000 3.139) 3.141 4.693 ( 0.117 0.000 -1.833) 1.837 4.695 ( -2.385 0.000 -1.829) 3.005 4.829 ( -1.142 0.000 -1.035) 1.541 4.853 ( -0.362 0.000 0.344) 0.499 4.886 ( -0.691 0.000 -0.512) 0.860 5.056 ( 0.258 0.000 2.709) 2.722 5.282 ( -0.866 0.000 -1.866) 2.057 5.405 ( 1.400 0.000 2.744) 3.081 5.567 ( -0.210 0.000 0.340) 0.400 5.575 ( 5.374 0.000 3.360) 6.338 5.695 ( -1.713 0.000 -4.497) 4.813 5.755 ( 8.088 0.000 -0.982) 8.147 5.837 ( -1.850 0.000 0.087) 1.852 5.944 ( -4.591 0.000 0.730) 4.649 6.275 ( -1.986 0.000 -1.309) 2.378 6.517 ( 1.188 0.000 0.870) 1.472 6.673 ( 1.296 0.000 3.814) 4.028 6.749 ( 1.850 0.000 -3.407) 3.877 6.899 ( -0.488 0.000 -1.084) 1.189 7.556 ( 2.013 0.000 -2.114) 2.919 8.446 ( 8.872 0.000 -0.551) 8.890 8.569 ( -6.284 0.000 0.869) 6.344 8.681 ( 6.313 0.000 0.330) 6.322 8.741 ( -1.484 0.000 1.660) 2.226 9.332 ( 6.253 0.000 0.068) 6.253 9.336 ( -0.780 0.000 -1.162) 1.399 9.389 ( 2.141 0.000 -0.107) 2.143 9.518 ( -8.131 0.000 2.341) 8.461 9.585 ( 1.097 0.000 -0.136) 1.105 9.761 ( -1.038 0.000 -2.679) 2.873 9.866 ( 3.264 0.000 0.369) 3.284 9.881 ( 1.283 0.000 0.245) 1.306 9.955 ( -1.965 0.000 -0.146) 1.971 10.000 ( -1.856 0.000 2.002) 2.730 10.113 ( -0.605 0.000 -1.655) 1.762 10.131 ( -0.551 0.000 0.312) 0.633 10.697 ( -2.897 0.000 -0.471) 2.936 10.877 ( 5.093 0.000 0.790) 5.154 10.985 ( -7.008 0.000 1.475) 7.161 11.021 ( -2.360 0.000 0.141) 2.364 12.443 ( 0.297 0.000 0.219) 0.369 12.454 ( 2.322 0.000 0.905) 2.492 12.589 ( 2.217 0.000 -1.295) 2.568 12.857 ( -2.096 0.000 -2.396) 3.184 18.832 ( 0.127 0.000 0.786) 0.796 18.909 ( 0.081 0.000 0.064) 0.104 19.115 ( 1.514 0.000 -1.017) 1.824 19.183 ( -3.079 0.000 1.321) 3.351 19.292 ( -2.101 0.000 3.472) 4.058 19.325 ( 0.123 0.000 -5.240) 5.241 19.401 ( -0.409 0.000 0.128) 0.428 19.487 ( -0.428 0.000 0.167) 0.460 19.876 ( 0.879 0.000 0.537) 1.030 19.915 ( 0.806 0.000 -0.694) 1.064 19.951 ( 1.068 0.000 0.465) 1.165 20.072 ( 0.556 0.000 0.097) 0.564 20.409 ( 0.135 0.000 -0.221) 0.259 20.423 ( 0.738 0.000 0.292) 0.794 20.513 ( 0.683 0.000 -0.233) 0.721 20.526 ( 0.515 0.000 -0.499) 0.718 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( 0.000 16.597 0.000) 16.597 0.368 ( 0.000 17.734 0.000) 17.734 0.764 ( 0.000 30.402 0.000) 30.402 0.810 ( 0.000 -2.074 0.000) 2.074 0.959 ( 0.000 2.594 0.000) 2.594 1.076 ( 0.000 2.842 0.000) 2.842 1.088 ( 0.000 -4.041 0.000) 4.041 1.222 ( 0.000 -1.982 0.000) 1.982 1.385 ( 0.000 -10.459 0.000) 10.459 1.502 ( 0.000 2.283 0.000) 2.283 1.541 ( 0.000 1.739 0.000) 1.739 1.568 ( 0.000 -1.485 0.000) 1.485 1.643 ( 0.000 -0.284 0.000) 0.284 1.663 ( 0.000 -5.799 0.000) 5.799 1.715 ( 0.000 -0.679 0.000) 0.679 1.825 ( 0.000 -3.912 0.000) 3.912 1.853 ( 0.000 -0.025 0.000) 0.025 1.976 ( 0.000 1.918 0.000) 1.918 1.990 ( 0.000 0.183 0.000) 0.183 2.023 ( 0.000 -0.870 0.000) 0.870 2.073 ( 0.000 -0.412 0.000) 0.412 2.101 ( 0.000 1.287 0.000) 1.287 2.136 ( 0.000 2.139 0.000) 2.139 2.253 ( 0.000 9.294 0.000) 9.294 2.314 ( 0.000 -3.623 0.000) 3.623 2.351 ( 0.000 1.683 0.000) 1.683 2.419 ( 0.000 5.850 0.000) 5.850 2.470 ( 0.000 0.820 0.000) 0.820 2.562 ( 0.000 -0.647 0.000) 0.647 2.609 ( 0.000 -0.877 0.000) 0.877 2.684 ( 0.000 -3.773 0.000) 3.773 2.736 ( 0.000 1.138 0.000) 1.138 2.736 ( 0.000 -4.818 0.000) 4.818 2.776 ( 0.000 -2.708 0.000) 2.708 2.814 ( 0.000 -0.908 0.000) 0.908 2.872 ( 0.000 -0.373 0.000) 0.373 2.951 ( 0.000 4.396 0.000) 4.396 3.013 ( 0.000 1.121 0.000) 1.121 3.047 ( 0.000 -5.025 0.000) 5.025 3.124 ( 0.000 3.083 0.000) 3.083 3.154 ( 0.000 4.170 0.000) 4.170 3.178 ( 0.000 -4.312 0.000) 4.312 3.253 ( 0.000 -0.334 0.000) 0.334 3.271 ( 0.000 0.228 0.000) 0.228 3.438 ( 0.000 -0.468 0.000) 0.468 3.460 ( 0.000 2.709 0.000) 2.709 3.575 ( 0.000 0.269 0.000) 0.269 3.575 ( 0.000 6.623 0.000) 6.623 3.608 ( 0.000 -5.592 0.000) 5.592 3.835 ( 0.000 -13.307 0.000) 13.307 3.882 ( 0.000 -4.337 0.000) 4.337 3.897 ( 0.000 -1.233 0.000) 1.233 3.964 ( 0.000 3.093 0.000) 3.093 4.307 ( 0.000 1.025 0.000) 1.025 4.348 ( 0.000 -4.655 0.000) 4.655 4.375 ( 0.000 -6.318 0.000) 6.318 4.456 ( 0.000 -0.554 0.000) 0.554 4.469 ( 0.000 0.825 0.000) 0.825 4.612 ( 0.000 3.955 0.000) 3.955 4.738 ( 0.000 -4.440 0.000) 4.440 4.780 ( 0.000 -4.113 0.000) 4.113 4.866 ( 0.000 1.829 0.000) 1.829 4.953 ( 0.000 -3.549 0.000) 3.549 5.010 ( 0.000 0.088 0.000) 0.088 5.038 ( 0.000 1.228 0.000) 1.228 5.045 ( 0.000 0.696 0.000) 0.696 5.169 ( 0.000 5.982 0.000) 5.982 5.269 ( 0.000 8.866 0.000) 8.866 5.415 ( 0.000 5.203 0.000) 5.203 5.488 ( 0.000 4.161 0.000) 4.161 5.618 ( 0.000 7.599 0.000) 7.599 5.714 ( 0.000 3.150 0.000) 3.150 5.932 ( 0.000 -2.735 0.000) 2.735 6.075 ( 0.000 -0.914 0.000) 0.914 6.241 ( 0.000 -4.952 0.000) 4.952 6.333 ( 0.000 -4.055 0.000) 4.055 6.345 ( 0.000 0.226 0.000) 0.226 6.472 ( 0.000 -4.952 0.000) 4.952 6.841 ( 0.000 6.651 0.000) 6.651 7.415 ( 0.000 -5.955 0.000) 5.955 8.381 ( 0.000 4.585 0.000) 4.585 8.408 ( 0.000 1.858 0.000) 1.858 8.585 ( 0.000 -3.828 0.000) 3.828 8.816 ( 0.000 -4.609 0.000) 4.609 9.044 ( 0.000 5.277 0.000) 5.277 9.233 ( 0.000 0.524 0.000) 0.524 9.285 ( 0.000 0.617 0.000) 0.617 9.343 ( 0.000 -0.345 0.000) 0.345 9.622 ( 0.000 0.758 0.000) 0.758 9.651 ( 0.000 0.076 0.000) 0.076 9.716 ( 0.000 0.684 0.000) 0.684 9.876 ( 0.000 -2.893 0.000) 2.893 9.971 ( 0.000 -0.923 0.000) 0.923 10.068 ( 0.000 -2.865 0.000) 2.865 10.280 ( 0.000 0.866 0.000) 0.866 10.365 ( 0.000 -1.079 0.000) 1.079 10.806 ( 0.000 1.978 0.000) 1.978 10.987 ( 0.000 -2.551 0.000) 2.551 11.558 ( 0.000 2.919 0.000) 2.919 11.758 ( 0.000 -2.046 0.000) 2.046 12.244 ( 0.000 -1.057 0.000) 1.057 12.314 ( 0.000 -1.165 0.000) 1.165 12.428 ( 0.000 4.951 0.000) 4.951 12.605 ( 0.000 -0.560 0.000) 0.560 18.751 ( 0.000 0.748 0.000) 0.748 18.849 ( 0.000 -1.627 0.000) 1.627 19.235 ( 0.000 0.617 0.000) 0.617 19.246 ( 0.000 0.089 0.000) 0.089 19.462 ( 0.000 1.698 0.000) 1.698 19.554 ( 0.000 0.444 0.000) 0.444 19.594 ( 0.000 -1.026 0.000) 1.026 19.597 ( 0.000 -0.601 0.000) 0.601 19.700 ( 0.000 1.750 0.000) 1.750 19.879 ( 0.000 -2.948 0.000) 2.948 19.971 ( 0.000 1.684 0.000) 1.684 20.054 ( 0.000 -0.761 0.000) 0.761 20.339 ( 0.000 -0.551 0.000) 0.551 20.355 ( 0.000 -0.929 0.000) 0.929 20.375 ( 0.000 0.960 0.000) 0.960 20.392 ( 0.000 0.589 0.000) 0.589 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 8.458 11.123 6.066) 15.234 0.508 ( 8.755 9.969 7.667) 15.324 0.814 ( 1.102 -2.860 -0.143) 3.069 0.958 ( 2.431 -1.698 -1.709) 3.422 1.014 ( -0.404 3.013 -0.615) 3.102 1.144 ( 6.223 6.951 4.791) 10.488 1.166 ( 16.572 9.885 9.551) 21.531 1.248 ( 2.633 -1.752 -0.328) 3.179 1.426 ( 3.006 -5.060 2.723) 6.485 1.531 ( 4.775 2.857 0.347) 5.575 1.547 ( 0.057 -1.141 -1.736) 2.079 1.600 ( 3.737 -2.338 0.455) 4.432 1.645 ( 4.460 -1.663 -1.973) 5.153 1.687 ( 0.001 -4.134 1.503) 4.399 1.752 ( 2.368 -1.794 1.686) 3.416 1.835 ( 2.500 -0.438 -1.382) 2.890 1.875 ( 2.092 -0.741 0.623) 2.305 1.949 ( -0.996 2.107 -2.287) 3.265 1.987 ( -0.639 0.276 -2.812) 2.897 2.011 ( 0.962 -1.488 0.989) 2.029 2.036 ( -0.009 -0.668 -1.853) 1.969 2.125 ( 1.501 2.422 0.961) 3.007 2.166 ( -1.083 2.156 2.686) 3.610 2.260 ( -0.851 2.708 2.967) 4.106 2.303 ( -1.966 0.194 1.166) 2.294 2.362 ( 0.299 1.715 -0.419) 1.790 2.371 ( 1.440 3.234 0.422) 3.565 2.502 ( -1.951 -1.686 -0.536) 2.634 2.572 ( 2.543 2.983 0.878) 4.017 2.632 ( -1.894 -4.415 -1.536) 5.043 2.682 ( -0.294 -2.874 -2.384) 3.746 2.696 ( -0.317 0.883 0.579) 1.102 2.757 ( 1.328 -1.828 -0.913) 2.437 2.782 ( 0.972 -1.589 1.660) 2.495 2.809 ( 1.333 -0.238 -1.538) 2.049 2.878 ( 0.613 0.699 1.352) 1.641 2.968 ( -0.810 0.464 -2.711) 2.867 3.007 ( -0.194 0.872 2.587) 2.737 3.037 ( -0.032 -1.132 -0.460) 1.222 3.078 ( -3.588 1.780 2.156) 4.549 3.115 ( -3.633 2.789 0.637) 4.624 3.185 ( -3.514 1.337 1.320) 3.985 3.235 ( 3.242 0.139 0.394) 3.269 3.269 ( 0.844 -1.685 0.460) 1.940 3.387 ( 1.466 0.476 -1.919) 2.462 3.534 ( 1.270 -1.598 -4.431) 4.878 3.565 ( 3.873 3.186 -6.408) 8.137 3.609 ( 4.958 2.413 0.105) 5.515 3.682 ( 4.630 -0.347 -2.393) 5.223 3.829 ( -2.036 -1.994 -2.546) 3.821 3.864 ( -0.995 -2.106 -2.263) 3.247 3.896 ( 1.824 -14.878 6.538) 16.353 3.963 ( 1.750 0.264 -2.112) 2.755 4.289 ( -1.021 0.698 -0.350) 1.286 4.345 ( -1.714 -1.611 0.534) 2.413 4.378 ( -1.958 -4.727 -1.134) 5.241 4.429 ( 0.257 -2.956 0.252) 2.977 4.505 ( 2.096 -0.612 1.579) 2.695 4.608 ( -1.089 3.224 0.533) 3.445 4.713 ( -0.969 -2.935 -2.540) 4.000 4.755 ( -2.925 -1.863 1.943) 3.975 4.827 ( -0.247 -0.735 -3.414) 3.501 4.981 ( -1.384 1.071 0.024) 1.750 5.006 ( 0.926 -3.238 1.999) 3.916 5.036 ( -1.449 3.173 1.248) 3.705 5.073 ( -0.883 -0.810 2.200) 2.505 5.196 ( -0.280 3.902 3.274) 5.102 5.305 ( -4.987 4.435 -1.686) 6.884 5.351 ( 2.257 5.864 3.149) 7.029 5.481 ( -0.736 3.161 -1.092) 3.425 5.670 ( 4.635 9.960 -0.661) 11.006 5.718 ( 1.984 2.269 -1.544) 3.386 5.911 ( -1.984 -0.466 1.914) 2.796 6.054 ( -0.870 -1.670 -0.615) 1.981 6.277 ( 3.151 -3.658 0.727) 4.883 6.368 ( 2.798 -3.761 0.730) 4.744 6.382 ( 3.916 -0.118 -0.325) 3.931 6.501 ( 2.475 -4.792 1.532) 5.607 6.881 ( 2.837 6.184 1.722) 7.018 7.419 ( 2.875 -5.816 -3.383) 7.317 8.348 ( 0.679 6.319 -6.103) 8.811 8.413 ( 3.944 0.652 -4.005) 5.659 8.608 ( 2.494 -3.228 0.030) 4.079 8.813 ( -0.655 -3.963 -0.258) 4.025 9.019 ( -1.216 4.922 -0.299) 5.079 9.249 ( 4.190 2.524 -1.115) 5.017 9.287 ( -1.384 -0.788 3.309) 3.673 9.430 ( 2.926 -1.068 4.879) 5.789 9.632 ( -0.257 -0.883 2.052) 2.249 9.697 ( 0.215 -1.910 1.870) 2.682 9.750 ( 2.132 0.262 2.257) 3.116 9.832 ( -0.212 -1.896 -4.624) 5.002 9.978 ( 0.031 -0.432 1.290) 1.360 10.072 ( 0.729 -2.767 -0.614) 2.927 10.225 ( -1.472 3.916 -4.517) 6.157 10.367 ( 0.413 -1.453 -1.851) 2.389 10.791 ( -1.831 1.655 0.930) 2.637 10.952 ( -2.727 -0.800 -1.233) 3.098 11.314 ( -16.851 9.424 0.035) 19.307 11.438 ( -9.686 1.345 -2.303) 10.047 12.289 ( 5.506 2.049 1.832) 6.154 12.332 ( 1.607 3.367 -0.660) 3.789 12.582 ( -0.615 -0.052 -2.461) 2.537 12.878 ( 14.763 -16.029 0.208) 21.793 18.763 ( -0.527 0.628 2.509) 2.640 18.853 ( 0.325 -1.609 0.472) 1.708 19.160 ( -2.664 5.331 -1.599) 6.171 19.247 ( -0.891 0.108 1.248) 1.537 19.445 ( -1.299 0.878 0.342) 1.605 19.539 ( -2.042 -0.107 0.708) 2.164 19.548 ( -4.069 0.727 -1.474) 4.388 19.616 ( -0.938 -1.882 0.735) 2.228 19.741 ( 3.445 -0.163 -1.126) 3.628 19.817 ( -1.018 -2.129 -4.892) 5.432 19.957 ( 0.763 1.870 -3.068) 3.674 19.983 ( 1.030 0.990 -2.787) 3.132 20.329 ( 0.428 0.710 0.720) 1.098 20.377 ( 0.754 -0.725 0.895) 1.377 20.408 ( 2.630 1.135 0.978) 3.027 20.466 ( 4.032 -0.864 -1.052) 4.255 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 2.225 1.307 -1.735) 3.109 0.779 ( 8.507 0.686 10.288) 13.367 0.852 ( 4.543 1.391 1.643) 5.027 0.975 ( 2.896 0.397 -0.365) 2.946 1.040 ( 2.738 0.259 1.567) 3.165 1.203 ( 2.048 4.907 2.607) 5.922 1.289 ( 2.039 -1.754 2.236) 3.497 1.438 ( 4.901 -0.076 -3.751) 6.172 1.525 ( 2.277 -1.000 -1.043) 2.697 1.557 ( 4.637 0.511 1.748) 4.982 1.615 ( 0.957 -4.695 0.537) 4.821 1.682 ( 0.575 -3.906 -1.206) 4.128 1.727 ( 5.170 0.406 2.360) 5.697 1.788 ( 3.919 1.712 -0.676) 4.330 1.835 ( 3.236 -0.835 -0.502) 3.379 1.886 ( 3.715 0.593 4.629) 5.965 1.909 ( 1.059 -0.698 -1.098) 1.677 1.958 ( 4.478 0.190 3.273) 5.550 1.960 ( 1.090 -1.775 -1.545) 2.593 2.061 ( 3.666 1.003 1.900) 4.249 2.070 ( 5.906 -0.507 1.580) 6.134 2.160 ( 1.270 1.373 0.232) 1.885 2.178 ( 1.656 1.461 0.714) 2.321 2.264 ( -0.776 0.457 2.609) 2.760 2.321 ( -0.956 0.849 2.819) 3.095 2.361 ( -1.816 -0.486 -0.287) 1.902 2.434 ( 3.561 2.442 -0.552) 4.353 2.479 ( -1.141 1.969 0.842) 2.426 2.502 ( 1.154 2.745 -2.272) 3.745 2.577 ( -7.004 -3.184 -3.708) 8.541 2.636 ( 1.051 -1.447 1.194) 2.151 2.691 ( -1.124 -0.620 0.222) 1.303 2.740 ( -1.060 -2.811 -2.478) 3.894 2.806 ( 2.594 1.522 -1.333) 3.290 2.861 ( 2.883 2.249 0.390) 3.677 2.892 ( -0.157 -1.660 -2.636) 3.119 2.958 ( 0.701 0.680 4.565) 4.669 2.996 ( -0.153 2.184 -1.559) 2.687 3.072 ( 0.231 4.736 2.366) 5.300 3.091 ( 4.662 1.079 -0.599) 4.823 3.137 ( 0.758 -1.055 2.824) 3.109 3.149 ( -0.991 1.374 4.562) 4.866 3.268 ( -0.202 0.316 -1.347) 1.398 3.325 ( 3.235 0.805 1.353) 3.597 3.406 ( 2.968 0.422 0.720) 3.083 3.518 ( 1.997 -0.564 -4.179) 4.666 3.552 ( 3.558 -1.328 -4.508) 5.895 3.657 ( 2.360 4.470 -2.562) 5.666 3.685 ( 1.198 0.316 -2.920) 3.172 3.782 ( -1.202 0.442 -0.584) 1.408 3.832 ( 3.510 -4.721 -5.118) 7.797 3.943 ( 1.678 -3.829 -1.689) 4.509 4.052 ( 3.089 -8.310 3.968) 9.713 4.266 ( -2.267 1.380 0.062) 2.655 4.281 ( -3.895 0.036 -2.101) 4.426 4.343 ( 0.316 -5.852 1.772) 6.122 4.462 ( 0.301 -4.312 2.117) 4.813 4.552 ( -0.353 -2.570 1.522) 3.007 4.574 ( -0.919 0.210 -1.643) 1.894 4.678 ( -1.507 0.291 1.123) 1.902 4.736 ( -1.835 0.466 0.829) 2.067 4.780 ( -0.351 -0.774 -2.691) 2.822 4.926 ( -2.823 -0.439 -1.842) 3.400 5.009 ( -3.573 3.411 0.989) 5.038 5.015 ( -3.702 -2.486 -4.541) 6.364 5.075 ( -0.671 2.523 3.784) 4.597 5.141 ( -2.744 0.390 3.148) 4.194 5.292 ( -3.231 0.349 1.066) 3.420 5.356 ( -2.214 0.086 2.983) 3.715 5.543 ( 5.878 4.908 2.067) 7.932 5.710 ( 1.575 5.499 -1.307) 5.868 5.759 ( 3.790 6.203 -1.198) 7.367 5.906 ( -1.083 0.369 1.411) 1.817 6.035 ( -0.657 -1.016 -0.626) 1.363 6.347 ( 2.918 -3.408 0.472) 4.511 6.398 ( 2.444 -2.582 -2.646) 4.432 6.472 ( 4.740 0.356 2.396) 5.323 6.598 ( 5.596 -3.704 1.716) 6.926 6.949 ( 2.303 5.055 0.931) 5.632 7.433 ( 4.710 -6.390 -5.478) 9.645 8.314 ( 4.802 7.309 -5.821) 10.506 8.450 ( 5.932 0.582 -3.845) 7.093 8.663 ( 3.851 -1.370 -0.300) 4.099 8.780 ( -1.954 0.762 -0.698) 2.210 9.044 ( 3.401 2.198 1.911) 4.478 9.322 ( -0.662 -2.217 5.596) 6.056 9.330 ( 4.847 1.605 -0.642) 5.146 9.504 ( 1.306 -0.606 1.610) 2.160 9.600 ( -4.800 -2.843 -0.221) 5.583 9.738 ( 0.323 -0.967 3.592) 3.734 9.769 ( -0.822 -0.615 1.477) 1.799 9.847 ( 3.503 -2.116 0.460) 4.118 10.002 ( -0.223 1.392 2.452) 2.828 10.068 ( -0.142 -1.355 -1.404) 1.956 10.160 ( 0.114 3.256 -3.555) 4.822 10.302 ( -2.859 -1.200 -5.606) 6.406 10.777 ( -1.409 0.788 1.795) 2.415 10.887 ( -3.301 0.405 -0.430) 3.353 11.145 ( -9.836 0.916 4.511) 10.860 11.243 ( -10.025 0.124 -0.120) 10.027 12.343 ( 2.416 2.252 -0.613) 3.360 12.407 ( 3.401 1.186 0.568) 3.647 12.552 ( 2.250 2.107 -3.404) 4.592 12.966 ( 2.096 -8.237 -4.443) 9.591 18.788 ( -0.140 0.586 2.583) 2.652 18.869 ( 0.492 -1.651 0.850) 1.921 19.129 ( 0.051 4.088 -0.696) 4.148 19.245 ( -1.998 0.009 2.467) 3.175 19.411 ( -3.394 -0.239 -1.553) 3.740 19.451 ( -3.129 1.518 -1.172) 3.670 19.500 ( -2.856 -1.125 -0.873) 3.191 19.557 ( -4.747 0.262 0.093) 4.755 19.765 ( 3.574 -1.753 -2.723) 4.823 19.817 ( 2.878 -2.615 -0.684) 3.948 19.948 ( 2.145 2.399 -2.365) 3.994 20.004 ( 2.394 -0.049 -0.212) 2.404 20.354 ( 1.114 0.019 0.846) 1.399 20.394 ( 0.330 -1.005 0.263) 1.090 20.470 ( 2.978 1.501 0.481) 3.369 20.508 ( 2.927 0.784 -1.442) 3.356 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -1.761 0.827 -6.197) 6.495 0.869 ( -0.423 -7.293 -2.558) 7.740 1.028 ( 6.300 -2.621 6.374) 9.338 1.104 ( 6.464 4.645 5.438) 9.640 1.150 ( 4.170 0.852 5.370) 6.852 1.283 ( 3.353 5.833 2.535) 7.189 1.374 ( 3.172 -0.878 3.170) 4.570 1.444 ( 3.729 -0.158 -4.831) 6.105 1.533 ( 1.212 -1.420 -1.452) 2.365 1.602 ( -0.949 -0.686 0.873) 1.461 1.653 ( -0.364 -2.146 2.552) 3.354 1.696 ( 2.901 0.371 -0.841) 3.043 1.758 ( -0.365 1.473 -1.695) 2.276 1.831 ( 0.577 0.912 3.869) 4.016 1.882 ( 2.914 0.059 -0.864) 3.040 1.921 ( 1.822 -1.933 1.278) 2.948 1.933 ( 0.413 -6.468 -3.086) 7.179 1.953 ( 1.640 1.328 -1.751) 2.742 2.021 ( 0.987 -2.304 -1.894) 3.142 2.069 ( -3.961 -1.471 -5.267) 6.752 2.127 ( 2.163 -1.835 0.192) 2.843 2.192 ( -0.476 3.093 0.039) 3.130 2.208 ( 1.519 -0.022 1.278) 1.985 2.254 ( -0.900 0.691 -2.983) 3.192 2.288 ( 0.302 -0.071 -0.091) 0.323 2.389 ( -3.286 0.077 -1.778) 3.737 2.418 ( -0.320 -1.257 2.388) 2.717 2.441 ( 0.950 0.101 1.122) 1.474 2.513 ( -1.656 -0.460 2.312) 2.881 2.582 ( -1.037 1.376 -3.295) 3.718 2.667 ( 0.159 -4.386 0.618) 4.432 2.691 ( 0.808 1.555 0.139) 1.758 2.774 ( 3.485 2.817 2.195) 4.990 2.831 ( 0.336 -1.755 -1.993) 2.677 2.868 ( 3.735 1.717 2.139) 4.634 2.943 ( -0.100 0.238 -1.163) 1.191 2.989 ( 4.424 8.145 4.587) 10.341 3.022 ( 2.471 0.942 0.022) 2.644 3.070 ( 1.465 1.325 -1.867) 2.718 3.141 ( 0.478 -1.659 -0.857) 1.927 3.194 ( 1.467 1.662 0.864) 2.379 3.246 ( 6.876 2.971 5.919) 9.547 3.302 ( 5.001 1.359 2.790) 5.886 3.426 ( 5.334 -0.443 6.333) 8.292 3.462 ( 0.150 -2.725 -2.507) 3.706 3.516 ( 2.510 2.716 0.907) 3.808 3.582 ( 2.914 -0.560 -1.909) 3.528 3.650 ( 1.162 5.037 -2.719) 5.841 3.698 ( 3.815 0.330 -0.001) 3.830 3.789 ( 1.951 1.687 -0.026) 2.580 3.857 ( 4.325 -5.367 -2.813) 7.445 3.958 ( 3.026 -0.027 -2.759) 4.095 4.090 ( -2.490 -4.841 1.742) 5.716 4.180 ( -3.882 0.531 -1.443) 4.176 4.229 ( -2.580 0.551 1.720) 3.149 4.400 ( 1.505 -5.403 -0.280) 5.615 4.441 ( -6.992 -0.066 3.283) 7.725 4.513 ( -1.862 -1.581 -0.266) 2.457 4.585 ( 1.670 -5.191 -2.123) 5.852 4.648 ( -3.721 2.755 -0.234) 4.636 4.681 ( -2.175 -2.059 -2.590) 3.959 4.789 ( 2.321 1.814 0.941) 3.093 4.861 ( -3.275 -0.322 -0.405) 3.315 4.876 ( -3.176 1.638 -2.951) 4.634 4.943 ( -3.897 -1.135 -1.592) 4.360 5.058 ( -4.078 2.703 2.030) 5.297 5.224 ( 4.530 -5.746 4.284) 8.479 5.246 ( -1.811 -3.024 1.079) 3.686 5.337 ( -2.976 -3.047 0.852) 4.343 5.638 ( 0.498 -2.714 1.195) 3.007 5.701 ( -0.376 2.968 -1.703) 3.442 5.811 ( 3.856 4.954 -0.310) 6.285 5.919 ( 1.704 6.912 0.139) 7.120 6.015 ( -0.454 2.861 -0.868) 3.024 6.333 ( -1.559 -2.053 -2.576) 3.644 6.447 ( 3.635 -1.879 0.154) 4.095 6.584 ( 3.788 0.479 3.381) 5.100 6.698 ( 4.815 -2.515 -0.974) 5.519 6.967 ( 0.162 4.314 -1.255) 4.496 7.452 ( 4.329 -7.375 -4.648) 9.733 8.384 ( 8.203 7.024 -2.280) 11.037 8.526 ( 5.197 -0.430 -0.532) 5.242 8.728 ( 4.205 2.514 -1.139) 5.030 8.754 ( -1.265 5.258 2.199) 5.838 9.163 ( 7.309 -0.787 1.177) 7.445 9.351 ( -1.070 -1.457 -0.336) 1.839 9.390 ( 0.602 -0.366 3.254) 3.329 9.497 ( -4.276 -3.324 1.934) 5.752 9.563 ( 1.610 -0.882 0.410) 1.881 9.731 ( -0.109 -6.805 -4.233) 8.015 9.815 ( 0.362 0.929 4.177) 4.294 9.873 ( -0.760 -1.426 -1.033) 1.918 10.002 ( -1.593 3.554 2.037) 4.396 10.071 ( -0.645 2.503 3.283) 4.178 10.147 ( 2.078 1.159 -2.581) 3.511 10.174 ( -2.539 -0.420 -5.900) 6.437 10.777 ( -1.611 0.020 0.127) 1.616 10.830 ( -2.296 1.758 1.224) 3.141 11.030 ( -7.986 -2.742 2.410) 8.780 11.103 ( -7.851 -0.669 2.031) 8.137 12.394 ( 3.563 0.972 0.221) 3.700 12.434 ( 0.792 -0.083 -0.276) 0.843 12.583 ( 4.130 3.275 -2.445) 5.810 12.908 ( -1.897 -4.294 -4.251) 6.333 18.816 ( 0.145 0.403 1.907) 1.954 18.885 ( 0.282 -1.499 0.609) 1.642 19.131 ( 1.097 2.846 -1.025) 3.218 19.231 ( -3.963 0.188 3.453) 5.260 19.316 ( -2.907 -0.233 -2.188) 3.646 19.386 ( -3.438 -1.857 -3.083) 4.977 19.438 ( -1.164 1.642 -0.568) 2.091 19.511 ( -1.688 0.850 0.668) 2.004 19.807 ( 3.034 -2.173 -0.540) 3.771 19.861 ( 2.138 -2.173 0.468) 3.084 19.966 ( 1.865 2.525 -0.849) 3.252 20.044 ( 1.847 -0.323 0.254) 1.893 20.383 ( 1.185 -0.802 0.454) 1.501 20.396 ( 0.133 -1.019 -0.224) 1.052 20.515 ( 2.116 1.697 -0.322) 2.731 20.536 ( 1.946 1.372 -1.066) 2.609 ======================= Grid point 13 (10/84) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -0.662 3.588 -2.883) 4.650 0.827 ( -0.594 -9.200 -1.605) 9.358 1.178 ( 3.818 1.407 4.222) 5.863 1.231 ( 1.063 -4.644 1.578) 5.019 1.267 ( 4.007 1.548 3.975) 5.852 1.342 ( -0.169 4.048 -0.297) 4.063 1.399 ( 0.020 -2.171 -1.126) 2.445 1.489 ( 1.915 0.647 -1.441) 2.482 1.547 ( 1.418 -1.181 0.865) 2.038 1.602 ( -0.736 1.097 1.608) 2.081 1.675 ( 2.404 2.547 -3.959) 5.286 1.708 ( -1.639 4.818 0.460) 5.110 1.735 ( -0.275 -0.382 4.093) 4.120 1.821 ( -1.162 -0.122 -3.140) 3.351 1.893 ( -0.540 -3.910 -1.193) 4.124 1.906 ( 1.594 0.025 0.421) 1.649 1.953 ( -3.026 0.845 -2.247) 3.863 1.972 ( 1.208 0.786 1.786) 2.295 2.000 ( 1.455 -2.775 0.568) 3.184 2.015 ( 2.899 -2.536 -1.840) 4.268 2.095 ( -2.844 -1.522 -2.640) 4.168 2.203 ( -0.187 2.310 -0.540) 2.380 2.211 ( -0.087 -4.611 0.898) 4.698 2.253 ( 1.732 -0.839 0.264) 1.943 2.282 ( -1.142 -0.723 0.111) 1.356 2.351 ( -1.363 0.764 -1.413) 2.107 2.398 ( 1.178 2.604 0.190) 2.864 2.452 ( -2.537 -4.690 0.271) 5.339 2.519 ( 0.331 -3.714 1.436) 3.996 2.591 ( 2.179 4.491 1.032) 5.097 2.639 ( -2.761 1.419 -0.166) 3.108 2.681 ( 0.082 -2.605 -0.574) 2.669 2.754 ( -0.170 2.224 -2.286) 3.194 2.875 ( 1.263 -1.492 0.740) 2.090 2.886 ( -0.668 -2.683 -1.623) 3.206 2.951 ( 0.549 1.875 0.084) 1.956 3.026 ( 0.603 2.003 -0.085) 2.094 3.048 ( 0.827 -2.499 2.015) 3.315 3.097 ( -1.312 -2.630 -2.292) 3.727 3.184 ( 4.661 9.638 2.999) 11.118 3.232 ( 0.424 6.042 1.185) 6.171 3.313 ( 0.509 0.149 -1.672) 1.754 3.413 ( -0.094 2.503 -0.947) 2.678 3.520 ( 0.855 1.318 -1.045) 1.887 3.567 ( 0.627 -1.961 3.941) 4.446 3.621 ( 3.744 -0.448 -0.801) 3.855 3.657 ( 2.034 2.740 0.613) 3.467 3.679 ( 10.417 -0.409 7.723) 12.974 3.779 ( 5.780 3.776 2.531) 7.354 3.829 ( 2.862 1.024 -0.475) 3.077 3.898 ( 1.452 -4.059 0.491) 4.339 3.986 ( 3.442 1.025 -2.386) 4.311 4.027 ( -4.383 0.361 1.874) 4.780 4.144 ( -2.023 -0.710 -1.005) 2.368 4.210 ( -1.407 -0.229 0.131) 1.431 4.259 ( -8.868 0.127 -6.375) 10.922 4.366 ( -4.095 1.426 2.368) 4.941 4.493 ( -0.626 -4.553 0.826) 4.669 4.533 ( -1.791 -2.720 -3.322) 4.653 4.631 ( 1.522 2.967 0.286) 3.347 4.659 ( 0.450 -2.181 -0.219) 2.238 4.784 ( -3.739 -0.876 -1.073) 3.987 4.818 ( -1.276 5.131 -0.599) 5.321 4.847 ( 2.248 -0.356 0.600) 2.354 4.886 ( -1.456 -1.447 -0.528) 2.119 5.032 ( -1.176 -2.319 1.625) 3.066 5.244 ( 0.927 -4.798 -1.279) 5.052 5.258 ( -2.847 -4.320 0.953) 5.261 5.401 ( 5.849 -8.680 4.107) 11.244 5.581 ( -4.869 -7.903 -2.113) 9.520 5.672 ( -0.513 1.381 -0.994) 1.777 5.868 ( 1.850 -2.508 0.106) 3.118 5.952 ( 1.268 10.752 0.050) 10.826 6.007 ( 0.383 11.041 -0.359) 11.054 6.278 ( -1.314 -0.184 -1.200) 1.790 6.495 ( 1.387 -2.298 0.242) 2.695 6.669 ( 1.373 -0.108 2.536) 2.886 6.736 ( 1.888 -1.066 -1.931) 2.903 6.946 ( -0.335 4.445 -1.065) 4.583 7.467 ( 1.682 -7.889 -1.743) 8.252 8.507 ( 6.586 4.776 -0.385) 8.144 8.572 ( -0.840 1.029 0.486) 1.414 8.776 ( 2.342 7.535 0.239) 7.894 8.788 ( 0.579 4.746 1.674) 5.066 9.279 ( 4.389 -3.739 -2.015) 6.108 9.331 ( 0.174 -1.219 1.253) 1.756 9.397 ( 0.951 0.519 -0.347) 1.138 9.481 ( -5.461 -2.920 4.752) 7.806 9.555 ( -1.790 -4.147 -2.613) 5.219 9.658 ( 0.786 -6.993 -2.871) 7.600 9.824 ( -1.857 -1.136 1.674) 2.746 9.913 ( 5.318 1.688 -1.335) 5.737 10.009 ( -2.129 4.241 2.567) 5.395 10.081 ( -2.308 3.769 2.898) 5.285 10.095 ( 0.075 0.564 -3.451) 3.498 10.156 ( 1.120 1.076 -1.024) 1.860 10.711 ( -2.851 1.430 -0.612) 3.247 10.869 ( 3.547 -0.872 0.844) 3.749 10.942 ( -4.599 -3.097 0.952) 5.626 11.009 ( -4.371 -1.483 0.744) 4.675 12.445 ( 0.766 0.209 0.025) 0.794 12.457 ( 1.935 0.205 0.811) 2.108 12.613 ( 1.661 2.334 -1.158) 3.090 12.830 ( -1.700 -2.506 -2.084) 3.676 18.834 ( 0.093 0.205 0.714) 0.749 18.893 ( 0.067 -1.365 0.177) 1.378 19.139 ( 1.284 2.085 -1.175) 2.716 19.192 ( -2.978 0.790 1.477) 3.417 19.281 ( -2.229 -0.975 3.050) 3.902 19.306 ( 0.337 -1.607 -4.873) 5.143 19.425 ( -0.353 2.018 0.074) 2.050 19.499 ( -0.480 0.850 0.231) 1.003 19.844 ( 1.178 -2.010 0.136) 2.334 19.894 ( 0.874 -1.785 0.319) 2.013 19.984 ( 0.706 2.155 -0.075) 2.269 20.066 ( 0.507 -0.515 0.061) 0.725 20.395 ( 0.166 -0.991 -0.160) 1.017 20.404 ( 0.503 -1.299 0.188) 1.405 20.536 ( 0.793 1.811 -0.279) 1.997 20.549 ( 0.625 1.642 -0.460) 1.816 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.000 14.364 0.000) 14.364 0.697 ( 0.000 12.504 0.000) 12.504 0.837 ( 0.000 -4.794 0.000) 4.794 0.840 ( 0.000 7.442 0.000) 7.442 0.932 ( 0.000 -10.112 0.000) 10.112 1.106 ( 0.000 -14.167 0.000) 14.167 1.128 ( 0.000 2.145 0.000) 2.145 1.175 ( 0.000 -3.217 0.000) 3.217 1.429 ( 0.000 17.958 0.000) 17.958 1.530 ( 0.000 0.114 0.000) 0.114 1.554 ( 0.000 -2.422 0.000) 2.422 1.560 ( 0.000 -0.066 0.000) 0.066 1.619 ( 0.000 4.656 0.000) 4.656 1.634 ( 0.000 0.087 0.000) 0.087 1.693 ( 0.000 -0.530 0.000) 0.530 1.755 ( 0.000 -3.090 0.000) 3.090 1.877 ( 0.000 4.354 0.000) 4.354 1.978 ( 0.000 -1.580 0.000) 1.580 2.004 ( 0.000 1.722 0.000) 1.722 2.030 ( 0.000 0.826 0.000) 0.826 2.059 ( 0.000 -0.612 0.000) 0.612 2.135 ( 0.000 -5.286 0.000) 5.286 2.150 ( 0.000 2.514 0.000) 2.514 2.203 ( 0.000 -4.927 0.000) 4.927 2.390 ( 0.000 3.840 0.000) 3.840 2.439 ( 0.000 5.206 0.000) 5.206 2.477 ( 0.000 -2.338 0.000) 2.338 2.500 ( 0.000 -3.404 0.000) 3.404 2.531 ( 0.000 5.905 0.000) 5.905 2.611 ( 0.000 -2.564 0.000) 2.564 2.663 ( 0.000 2.915 0.000) 2.915 2.718 ( 0.000 2.618 0.000) 2.618 2.724 ( 0.000 2.787 0.000) 2.787 2.770 ( 0.000 -5.535 0.000) 5.535 2.789 ( 0.000 2.386 0.000) 2.386 2.810 ( 0.000 -2.576 0.000) 2.576 2.898 ( 0.000 -7.114 0.000) 7.114 2.953 ( 0.000 -7.827 0.000) 7.827 3.036 ( 0.000 3.621 0.000) 3.621 3.102 ( 0.000 -2.888 0.000) 2.888 3.191 ( 0.000 2.414 0.000) 2.414 3.195 ( 0.000 3.213 0.000) 3.213 3.304 ( 0.000 2.588 0.000) 2.588 3.310 ( 0.000 1.259 0.000) 1.259 3.398 ( 0.000 -2.146 0.000) 2.146 3.438 ( 0.000 -6.001 0.000) 6.001 3.559 ( 0.000 1.523 0.000) 1.523 3.580 ( 0.000 1.491 0.000) 1.491 3.666 ( 0.000 0.774 0.000) 0.774 3.666 ( 0.000 -2.279 0.000) 2.279 3.810 ( 0.000 -1.296 0.000) 1.296 3.843 ( 0.000 -3.388 0.000) 3.388 4.066 ( 0.000 7.413 0.000) 7.413 4.231 ( 0.000 -7.880 0.000) 7.880 4.297 ( 0.000 0.579 0.000) 0.579 4.343 ( 0.000 0.713 0.000) 0.713 4.398 ( 0.000 -3.927 0.000) 3.927 4.426 ( 0.000 -2.511 0.000) 2.511 4.675 ( 0.000 2.093 0.000) 2.093 4.714 ( 0.000 -2.253 0.000) 2.253 4.743 ( 0.000 4.238 0.000) 4.238 4.841 ( 0.000 -4.036 0.000) 4.036 4.932 ( 0.000 1.202 0.000) 1.202 4.975 ( 0.000 -2.381 0.000) 2.381 5.049 ( 0.000 -0.020 0.000) 0.020 5.050 ( 0.000 0.068 0.000) 0.068 5.327 ( 0.000 6.710 0.000) 6.710 5.388 ( 0.000 1.223 0.000) 1.223 5.542 ( 0.000 6.417 0.000) 6.417 5.578 ( 0.000 3.267 0.000) 3.267 5.760 ( 0.000 1.301 0.000) 1.301 5.776 ( 0.000 2.951 0.000) 2.951 5.902 ( 0.000 3.947 0.000) 3.947 6.076 ( 0.000 -9.764 0.000) 9.764 6.084 ( 0.000 3.285 0.000) 3.285 6.220 ( 0.000 -7.845 0.000) 7.845 6.354 ( 0.000 0.712 0.000) 0.712 6.383 ( 0.000 -2.643 0.000) 2.643 7.024 ( 0.000 10.726 0.000) 10.726 7.246 ( 0.000 -10.219 0.000) 10.219 8.430 ( 0.000 2.517 0.000) 2.517 8.500 ( 0.000 -4.119 0.000) 4.119 8.543 ( 0.000 8.437 0.000) 8.437 8.704 ( 0.000 -6.789 0.000) 6.789 9.135 ( 0.000 3.901 0.000) 3.901 9.207 ( 0.000 -2.899 0.000) 2.899 9.314 ( 0.000 1.620 0.000) 1.620 9.335 ( 0.000 -0.517 0.000) 0.517 9.649 ( 0.000 1.376 0.000) 1.376 9.654 ( 0.000 0.496 0.000) 0.496 9.747 ( 0.000 1.894 0.000) 1.894 9.801 ( 0.000 -3.739 0.000) 3.739 9.959 ( 0.000 0.447 0.000) 0.447 10.001 ( 0.000 -3.241 0.000) 3.241 10.305 ( 0.000 1.476 0.000) 1.476 10.337 ( 0.000 -1.594 0.000) 1.594 10.859 ( 0.000 3.066 0.000) 3.066 10.925 ( 0.000 -3.303 0.000) 3.303 11.628 ( 0.000 3.707 0.000) 3.707 11.701 ( 0.000 -3.315 0.000) 3.315 12.248 ( 0.000 1.239 0.000) 1.239 12.282 ( 0.000 -1.837 0.000) 1.837 12.522 ( 0.000 3.904 0.000) 3.904 12.581 ( 0.000 -1.945 0.000) 1.945 18.774 ( 0.000 1.488 0.000) 1.488 18.810 ( 0.000 -1.979 0.000) 1.979 19.245 ( 0.000 0.325 0.000) 0.325 19.248 ( 0.000 0.018 0.000) 0.018 19.508 ( 0.000 2.648 0.000) 2.648 19.560 ( 0.000 -2.223 0.000) 2.223 19.566 ( 0.000 0.742 0.000) 0.742 19.582 ( 0.000 -0.803 0.000) 0.803 19.749 ( 0.000 2.925 0.000) 2.925 19.814 ( 0.000 -3.321 0.000) 3.321 20.003 ( 0.000 1.521 0.000) 1.521 20.032 ( 0.000 -1.300 0.000) 1.300 20.334 ( 0.000 0.011 0.000) 0.011 20.340 ( 0.000 -0.561 0.000) 0.561 20.392 ( 0.000 0.593 0.000) 0.593 20.398 ( 0.000 0.001 0.000) 0.001 ======================= Grid point 19 (12/84) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 1.216 6.013 1.004) 6.216 0.724 ( 0.242 6.498 -1.232) 6.618 0.787 ( 3.789 3.746 3.219) 6.225 0.952 ( 3.021 -3.170 0.771) 4.446 1.020 ( 4.952 2.961 2.936) 6.473 1.156 ( 4.030 1.154 0.814) 4.270 1.186 ( 1.242 -4.488 1.408) 4.865 1.245 ( 8.985 -9.180 4.957) 13.769 1.429 ( 1.483 6.844 -1.083) 7.086 1.532 ( -1.316 -2.845 -0.836) 3.244 1.538 ( 1.063 -0.910 -2.593) 2.946 1.572 ( 1.931 -2.982 -1.594) 3.894 1.654 ( 3.190 2.737 0.971) 4.314 1.694 ( 3.742 0.026 1.659) 4.093 1.743 ( 6.228 5.704 2.383) 8.775 1.824 ( 5.269 -2.009 1.720) 5.895 1.904 ( 2.691 5.888 0.534) 6.496 1.971 ( -0.982 0.515 0.579) 1.250 1.986 ( -1.159 -0.382 -1.113) 1.651 2.008 ( -1.524 0.239 -3.309) 3.651 2.021 ( 0.845 1.301 0.203) 1.564 2.141 ( 0.565 -2.678 1.377) 3.064 2.192 ( 0.164 1.079 3.099) 3.286 2.233 ( 1.487 -3.923 3.688) 5.586 2.358 ( -2.711 5.325 -1.925) 6.278 2.405 ( -1.525 1.933 0.810) 2.592 2.463 ( -2.035 -1.943 -0.457) 2.850 2.492 ( -0.829 1.218 0.235) 1.492 2.521 ( -1.293 -0.090 2.456) 2.777 2.595 ( -0.247 -2.685 0.382) 2.724 2.690 ( -2.035 1.855 -0.563) 2.810 2.700 ( -1.637 0.892 -0.463) 1.921 2.728 ( -2.295 -0.892 0.694) 2.558 2.759 ( 2.773 -1.363 -0.094) 3.092 2.812 ( 2.057 0.338 -1.149) 2.380 2.867 ( 3.386 -3.665 -0.039) 4.990 2.916 ( 3.086 1.213 2.537) 4.175 2.997 ( 1.676 -2.326 3.262) 4.343 3.073 ( 1.554 2.186 2.345) 3.563 3.103 ( -0.439 -0.209 1.468) 1.546 3.149 ( -2.326 1.012 -3.102) 4.007 3.167 ( 1.242 -1.425 -2.837) 3.409 3.297 ( -1.092 4.519 1.973) 5.050 3.319 ( 1.839 3.991 -0.054) 4.394 3.402 ( 2.843 1.732 -0.689) 3.400 3.472 ( 2.347 -1.113 -6.914) 7.386 3.524 ( -1.656 -9.446 0.094) 9.591 3.559 ( 3.164 -7.019 -3.588) 8.494 3.707 ( 3.816 2.873 -0.129) 4.778 3.740 ( 4.049 2.366 1.126) 4.823 3.773 ( -0.435 -1.212 -3.977) 4.180 3.825 ( 0.096 -3.415 -1.786) 3.855 4.041 ( -0.130 6.916 -2.810) 7.466 4.207 ( -1.349 -8.675 -1.587) 8.922 4.321 ( -0.168 2.121 1.530) 2.621 4.347 ( 0.801 0.611 -0.787) 1.278 4.395 ( -2.187 -1.804 -0.259) 2.847 4.420 ( 2.039 -5.171 -0.349) 5.570 4.646 ( -2.942 0.839 -0.750) 3.149 4.673 ( -1.611 -1.296 -1.461) 2.531 4.757 ( 0.218 2.261 0.880) 2.436 4.801 ( 0.460 -1.280 -4.329) 4.538 4.954 ( -0.197 -1.494 1.233) 1.947 4.964 ( -0.611 -1.766 -1.307) 2.281 5.078 ( -0.699 1.048 4.736) 4.900 5.091 ( -0.711 0.382 5.765) 5.821 5.333 ( -1.565 7.548 3.900) 8.639 5.404 ( -5.626 2.065 3.020) 6.711 5.443 ( -4.528 4.869 -1.083) 6.736 5.530 ( -4.734 -0.700 0.491) 4.810 5.752 ( 0.216 1.560 -0.984) 1.857 5.800 ( 0.733 -1.754 0.138) 1.906 5.948 ( 4.282 8.463 1.068) 9.544 6.075 ( 2.955 4.466 -2.688) 5.992 6.147 ( 4.302 -7.843 1.471) 9.065 6.244 ( 3.210 -8.299 -1.136) 8.971 6.392 ( 3.867 0.883 0.529) 4.001 6.422 ( 3.602 -2.377 1.404) 4.538 7.050 ( 2.301 9.916 0.371) 10.186 7.257 ( 2.166 -9.634 -1.661) 10.013 8.442 ( 3.887 2.300 -4.006) 6.037 8.479 ( 2.016 2.169 -6.265) 6.929 8.565 ( 3.342 2.949 0.290) 4.467 8.704 ( 1.165 -6.831 -0.722) 6.967 9.120 ( -1.094 4.923 0.114) 5.045 9.216 ( -0.209 -4.151 1.317) 4.360 9.335 ( 1.306 3.670 2.429) 4.590 9.397 ( 1.900 -2.247 4.547) 5.416 9.636 ( -1.176 1.397 -0.445) 1.879 9.671 ( -0.402 -1.413 1.841) 2.355 9.765 ( 1.403 0.938 0.991) 1.957 9.789 ( 0.327 -1.734 -1.332) 2.211 9.975 ( 0.620 0.521 1.763) 1.940 10.010 ( 0.727 -2.826 0.546) 2.969 10.284 ( -0.368 2.326 -3.168) 3.948 10.329 ( 0.168 -2.118 -2.420) 3.221 10.840 ( -2.413 2.952 0.798) 3.895 10.904 ( -2.538 -3.113 0.412) 4.037 11.440 ( -15.794 2.963 -4.036) 16.568 11.460 ( -12.183 0.448 -3.298) 12.630 12.349 ( 5.742 3.258 2.614) 7.101 12.384 ( 2.207 0.724 0.462) 2.368 12.584 ( 2.074 0.556 -1.559) 2.654 12.645 ( 10.250 -6.681 2.012) 12.400 18.783 ( -0.044 1.366 1.596) 2.102 18.817 ( 0.146 -1.819 0.937) 2.052 19.228 ( -1.230 1.730 -0.371) 2.155 19.246 ( -0.856 -0.301 0.846) 1.241 19.480 ( -2.615 2.380 0.211) 3.542 19.525 ( -3.030 -1.527 0.520) 3.433 19.564 ( -2.217 0.718 -0.838) 2.477 19.581 ( -0.262 -1.240 -0.263) 1.294 19.748 ( 1.322 0.887 -1.814) 2.413 19.776 ( -1.046 -1.798 -3.400) 3.986 19.982 ( 0.588 0.840 -2.378) 2.590 19.992 ( 0.238 -0.116 -2.847) 2.859 20.343 ( 0.358 0.718 0.849) 1.168 20.360 ( 0.502 -0.899 0.906) 1.372 20.431 ( 3.410 1.060 0.794) 3.658 20.450 ( 4.096 -0.800 0.435) 4.196 ======================= Grid point 20 (13/84) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -2.179 1.848 -2.484) 3.786 0.730 ( 0.002 -3.788 2.094) 4.328 0.960 ( 5.698 6.521 5.151) 10.076 1.021 ( 4.578 2.393 2.355) 5.677 1.101 ( 3.652 5.036 1.253) 6.346 1.218 ( 3.556 -4.922 1.330) 6.216 1.296 ( 4.854 4.760 3.832) 7.804 1.431 ( 5.196 -2.833 -1.510) 6.108 1.465 ( 4.774 -5.225 0.940) 7.140 1.497 ( -0.588 -4.762 -1.305) 4.972 1.558 ( 3.996 0.971 0.263) 4.121 1.592 ( 3.097 -2.228 -2.243) 4.425 1.723 ( 2.664 0.435 1.931) 3.319 1.757 ( 2.155 -2.804 2.277) 4.206 1.845 ( 2.055 1.454 -3.547) 4.349 1.896 ( 2.518 -2.721 -3.620) 5.181 1.919 ( 1.366 2.325 1.041) 2.891 1.949 ( -1.445 1.659 0.797) 2.340 1.967 ( 0.589 0.137 0.329) 0.688 2.003 ( 1.589 -3.626 0.684) 4.018 2.138 ( 1.150 2.626 3.803) 4.762 2.185 ( 0.312 -1.649 2.890) 3.342 2.220 ( 1.899 4.910 -1.047) 5.367 2.273 ( -0.311 0.587 1.393) 1.543 2.361 ( 1.255 3.175 2.780) 4.403 2.396 ( -1.839 2.029 2.007) 3.395 2.461 ( 0.754 -1.849 3.595) 4.112 2.486 ( 0.727 -0.242 -3.007) 3.103 2.531 ( -1.840 -0.836 2.852) 3.496 2.542 ( -3.636 -1.860 -1.976) 4.537 2.633 ( -0.286 4.293 -1.380) 4.518 2.691 ( 0.036 -0.233 2.507) 2.519 2.727 ( 2.335 2.522 1.909) 3.932 2.792 ( 0.999 -3.400 0.970) 3.674 2.823 ( 0.621 -0.218 -0.849) 1.075 2.884 ( 0.618 -3.988 2.143) 4.569 3.021 ( 3.994 5.116 -0.098) 6.491 3.072 ( 1.391 4.220 -2.190) 4.954 3.086 ( 3.787 -1.662 -0.001) 4.136 3.126 ( 1.338 -0.169 -2.456) 2.802 3.172 ( 4.469 2.555 5.957) 7.873 3.182 ( 0.285 1.548 -0.007) 1.574 3.264 ( 0.715 2.276 -1.996) 3.110 3.389 ( 0.294 0.772 0.105) 0.833 3.406 ( 2.100 -0.845 -3.571) 4.228 3.470 ( 4.343 1.254 -0.212) 4.525 3.523 ( 4.272 -2.292 -0.285) 4.857 3.618 ( 2.403 -9.465 2.483) 10.076 3.712 ( 0.359 0.715 -2.433) 2.561 3.735 ( -0.287 -3.185 -1.663) 3.604 3.797 ( 4.849 2.896 -4.751) 7.380 3.847 ( 4.270 -2.011 -1.621) 4.990 4.036 ( 3.636 4.920 -2.934) 6.785 4.182 ( 2.101 -8.473 -2.078) 8.973 4.287 ( -2.531 1.020 -1.346) 3.043 4.304 ( -3.484 0.158 -1.370) 3.747 4.406 ( 0.566 -0.673 2.521) 2.670 4.448 ( 0.793 -4.532 -0.090) 4.602 4.584 ( -2.458 0.611 -0.834) 2.667 4.631 ( -1.867 -3.553 -0.293) 4.025 4.772 ( 0.498 2.451 -0.813) 2.630 4.783 ( 1.105 1.174 -0.381) 1.656 4.908 ( -2.511 -1.050 -2.927) 3.997 4.934 ( -1.998 -3.737 -2.383) 4.862 5.097 ( -3.186 3.053 2.398) 5.022 5.125 ( -2.278 0.718 4.178) 4.812 5.248 ( -10.850 7.620 3.145) 13.627 5.340 ( -8.793 -1.287 1.497) 9.011 5.358 ( -2.631 5.802 4.383) 7.733 5.521 ( -2.435 -6.662 4.965) 8.659 5.745 ( 0.511 1.179 -1.603) 2.054 5.796 ( -0.356 -3.291 -0.711) 3.386 6.043 ( 5.123 10.424 0.177) 11.616 6.115 ( 5.027 8.636 -2.454) 10.290 6.234 ( 3.984 -7.684 -0.336) 8.662 6.295 ( 5.083 -7.563 -2.217) 9.378 6.489 ( 5.340 1.347 1.797) 5.793 6.529 ( 5.703 -2.681 2.099) 6.642 7.090 ( 2.159 8.398 -1.052) 8.735 7.271 ( 2.903 -8.890 -3.521) 9.993 8.456 ( 4.781 4.312 -5.315) 8.349 8.475 ( 4.269 1.448 -2.977) 5.402 8.656 ( 7.491 2.109 -1.256) 7.883 8.745 ( 4.670 -4.288 -0.858) 6.398 9.123 ( 0.567 5.220 1.710) 5.522 9.237 ( -0.251 -5.478 3.477) 6.493 9.386 ( 0.192 3.510 2.471) 4.297 9.459 ( -1.275 -3.303 3.790) 5.187 9.591 ( -2.512 2.024 -1.086) 3.404 9.664 ( -1.376 -4.457 -0.934) 4.757 9.795 ( 1.453 1.754 1.274) 2.610 9.823 ( 2.953 -0.917 0.352) 3.112 10.021 ( 0.854 0.668 3.432) 3.599 10.038 ( 0.773 -1.177 2.053) 2.490 10.220 ( -0.813 2.515 -5.089) 5.735 10.267 ( -1.713 -2.116 -5.623) 6.247 10.810 ( -2.360 2.276 1.577) 3.638 10.862 ( -2.701 -2.448 0.770) 3.726 11.188 ( -12.132 2.609 1.189) 12.467 11.231 ( -11.358 -1.381 0.068) 11.442 12.392 ( 1.283 2.132 -1.238) 2.779 12.419 ( 1.195 -0.356 -0.656) 1.409 12.632 ( 4.575 5.884 -1.319) 7.569 12.784 ( 4.619 -8.707 -1.123) 9.920 18.806 ( 0.033 1.174 2.044) 2.358 18.835 ( 0.261 -1.620 1.367) 2.136 19.205 ( -0.878 2.808 -0.233) 2.951 19.239 ( -1.557 -0.733 1.524) 2.299 19.420 ( -3.950 1.197 -1.882) 4.536 19.454 ( -4.387 -1.650 -2.225) 5.188 19.504 ( -2.415 1.833 -0.232) 3.041 19.543 ( -3.218 -1.573 0.623) 3.636 19.747 ( 2.815 0.341 -2.529) 3.799 19.772 ( 2.558 -1.844 -0.849) 3.266 19.984 ( 2.101 1.182 -1.395) 2.785 20.000 ( 2.208 -0.455 -0.669) 2.352 20.359 ( 0.488 0.504 0.562) 0.899 20.374 ( 0.229 -0.886 0.391) 0.995 20.500 ( 3.475 1.240 0.009) 3.689 20.515 ( 3.472 -0.210 -0.659) 3.541 ======================= Grid point 21 (14/84) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -1.780 3.144 -2.383) 4.327 0.713 ( -2.069 -7.304 -0.947) 7.650 1.057 ( 3.223 5.169 2.014) 6.416 1.150 ( 2.060 -2.011 3.513) 4.542 1.208 ( 5.176 5.260 3.774) 8.289 1.311 ( 3.035 -4.007 1.545) 5.259 1.409 ( 3.856 3.510 2.251) 5.679 1.461 ( 4.734 2.169 -2.661) 5.848 1.493 ( 1.118 -2.550 0.013) 2.784 1.542 ( 2.277 -4.302 1.124) 4.996 1.625 ( 1.974 0.026 0.509) 2.039 1.657 ( 4.218 -2.805 0.490) 5.089 1.784 ( 0.651 -0.402 2.913) 3.012 1.808 ( 1.693 2.957 -4.256) 5.452 1.833 ( 1.896 -3.120 3.965) 5.390 1.897 ( 2.056 -3.897 -1.279) 4.588 1.933 ( 1.194 4.201 0.805) 4.441 1.977 ( 0.082 0.996 0.643) 1.188 1.998 ( 1.387 -0.315 0.166) 1.432 2.047 ( 1.475 -4.934 0.187) 5.153 2.090 ( -3.153 4.254 -3.267) 6.221 2.182 ( -1.894 -3.394 -0.918) 3.993 2.225 ( -3.018 0.044 0.806) 3.124 2.234 ( -2.519 -0.908 -0.603) 2.745 2.313 ( -2.472 3.093 -2.977) 4.954 2.381 ( -1.378 -2.265 -1.179) 2.902 2.442 ( -3.803 0.939 -0.207) 3.923 2.464 ( -0.158 2.548 1.117) 2.786 2.475 ( -3.316 -0.698 1.217) 3.600 2.559 ( 0.361 -4.244 0.711) 4.318 2.651 ( 2.175 3.426 -0.234) 4.065 2.715 ( 0.805 -1.492 -0.435) 1.750 2.813 ( 0.921 0.966 -0.377) 1.387 2.833 ( 1.235 0.885 0.530) 1.609 2.884 ( 1.751 1.714 3.110) 3.959 2.932 ( -1.970 -1.435 -0.885) 2.593 3.059 ( 2.835 3.166 -0.899) 4.344 3.100 ( 1.083 1.183 -1.905) 2.490 3.141 ( 2.456 2.236 -2.760) 4.318 3.171 ( 7.887 -2.125 0.139) 8.169 3.190 ( 6.751 5.705 4.919) 10.115 3.281 ( 2.742 -0.319 3.972) 4.837 3.335 ( 2.081 0.746 -0.807) 2.353 3.372 ( 4.661 -3.613 2.128) 6.270 3.453 ( 5.122 4.581 0.953) 6.937 3.575 ( 2.625 -0.856 -1.273) 3.041 3.594 ( 2.520 3.762 4.769) 6.576 3.693 ( 2.356 -6.457 1.924) 7.137 3.721 ( 1.023 0.659 1.854) 2.218 3.730 ( 2.471 -0.923 0.485) 2.682 3.834 ( 5.957 2.882 -3.996) 7.731 3.918 ( 6.615 -4.682 -2.647) 8.525 4.061 ( 2.520 4.592 -2.657) 5.873 4.171 ( -2.187 -2.758 -2.293) 4.201 4.242 ( -3.484 0.564 1.348) 3.778 4.277 ( 3.249 -4.749 -0.906) 5.825 4.419 ( -3.253 -0.826 3.059) 4.541 4.447 ( -0.477 -3.545 -0.134) 3.579 4.551 ( -0.572 1.321 -0.829) 1.661 4.603 ( -1.003 -3.421 -1.315) 3.800 4.718 ( -3.415 3.633 -3.535) 6.112 4.804 ( -0.198 -2.315 -0.505) 2.377 4.827 ( -0.412 -0.291 -2.174) 2.232 4.877 ( 0.651 -2.681 -2.412) 3.664 5.011 ( -6.797 6.782 -0.751) 9.631 5.100 ( -4.985 -1.327 1.789) 5.460 5.147 ( -5.771 2.539 3.983) 7.457 5.233 ( -6.706 -3.986 3.053) 8.377 5.343 ( -3.387 5.973 3.129) 7.546 5.505 ( -5.343 -8.538 3.464) 10.651 5.720 ( -0.448 1.136 -2.627) 2.897 5.780 ( -0.502 -4.340 -0.735) 4.431 6.117 ( 3.504 9.221 -0.554) 9.880 6.183 ( 5.369 10.300 -1.762) 11.748 6.263 ( 1.230 -4.981 -1.799) 5.437 6.364 ( 4.820 -6.587 -1.457) 8.292 6.602 ( 4.475 1.435 2.175) 5.178 6.644 ( 4.930 -2.530 0.862) 5.608 7.094 ( 0.788 7.923 -2.230) 8.268 7.274 ( 2.345 -9.311 -3.403) 10.187 8.512 ( 5.685 3.914 -1.357) 7.034 8.535 ( 4.764 0.643 -0.542) 4.838 8.783 ( 8.245 3.657 -0.826) 9.057 8.836 ( 6.217 0.453 -0.039) 6.233 9.175 ( 2.959 3.043 0.664) 4.296 9.279 ( -0.204 -5.659 2.386) 6.145 9.399 ( -2.282 1.719 4.658) 5.465 9.446 ( -5.178 -2.003 4.616) 7.221 9.534 ( -0.810 0.031 -3.935) 4.017 9.599 ( -1.946 -5.486 -4.970) 7.654 9.845 ( 0.803 1.548 2.315) 2.899 9.864 ( 1.794 -0.256 -0.079) 1.814 10.067 ( -0.109 2.396 3.620) 4.342 10.092 ( 0.264 -0.116 4.604) 4.613 10.160 ( 0.329 0.280 -4.688) 4.708 10.168 ( 0.571 -0.317 -6.423) 6.456 10.793 ( -1.480 1.564 0.313) 2.176 10.833 ( -1.606 -1.728 0.719) 2.466 11.016 ( -10.200 1.711 2.254) 10.585 11.067 ( -9.324 -2.583 2.185) 9.918 12.415 ( 2.605 0.939 -0.558) 2.825 12.429 ( 1.491 -0.456 -0.647) 1.688 12.676 ( 2.361 5.577 -1.808) 6.320 12.798 ( 0.258 -6.082 -2.506) 6.583 18.829 ( 0.092 0.935 1.535) 1.800 18.854 ( 0.159 -1.452 1.059) 1.804 19.192 ( -0.260 2.728 -0.299) 2.757 19.229 ( -2.457 -0.736 2.428) 3.532 19.317 ( -3.471 0.576 -2.849) 4.528 19.345 ( -3.407 -1.996 -3.686) 5.402 19.478 ( -1.112 2.116 0.506) 2.444 19.513 ( -1.541 -0.937 0.890) 2.011 19.785 ( 2.899 0.330 -0.340) 2.937 19.814 ( 2.336 -2.204 0.373) 3.233 20.008 ( 1.642 1.591 -0.421) 2.324 20.033 ( 1.685 -0.843 -0.011) 1.884 20.373 ( 0.567 -0.099 0.165) 0.599 20.379 ( 0.183 -0.642 -0.029) 0.668 20.547 ( 2.379 1.144 -0.607) 2.709 20.556 ( 2.283 0.332 -0.890) 2.473 ======================= Grid point 22 (15/84) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -0.327 3.883 -0.678) 3.955 0.666 ( -1.219 -6.326 -1.069) 6.531 1.130 ( 1.724 -0.092 2.055) 2.684 1.183 ( -0.143 -3.635 0.272) 3.648 1.307 ( 2.351 1.957 1.397) 3.363 1.337 ( -0.163 -0.678 0.615) 0.930 1.495 ( 3.179 1.887 0.541) 3.737 1.504 ( 0.205 3.433 -0.567) 3.486 1.519 ( 2.364 -0.794 1.270) 2.799 1.582 ( 0.868 -2.084 -2.350) 3.259 1.676 ( 1.269 -0.645 2.589) 2.955 1.707 ( 1.282 -2.474 1.953) 3.403 1.799 ( 2.686 2.862 -3.003) 4.942 1.822 ( -0.184 0.488 0.774) 0.933 1.854 ( -2.237 1.974 -0.424) 3.013 1.937 ( 0.355 0.224 2.467) 2.502 1.957 ( 0.218 -1.449 -0.991) 1.769 1.978 ( 1.205 2.275 0.185) 2.581 1.994 ( -0.057 -1.057 -0.110) 1.064 2.014 ( -0.610 3.262 -0.693) 3.390 2.058 ( -0.524 -2.344 -1.063) 2.627 2.116 ( -1.626 -4.103 -1.911) 4.809 2.179 ( -1.215 -1.427 0.330) 1.903 2.235 ( 1.473 -3.345 -1.119) 3.822 2.271 ( -1.539 2.235 0.391) 2.741 2.332 ( -1.765 -3.072 1.259) 3.760 2.385 ( -3.030 0.609 -1.456) 3.417 2.439 ( -0.860 -3.455 0.771) 3.643 2.490 ( 0.745 4.353 0.723) 4.475 2.569 ( 0.374 -3.423 0.010) 3.444 2.691 ( 1.440 3.353 1.076) 3.804 2.723 ( 0.420 1.418 -0.395) 1.530 2.809 ( -0.185 2.873 -1.202) 3.119 2.852 ( -1.981 -0.558 -2.088) 2.932 2.858 ( 0.811 -0.767 0.551) 1.245 2.896 ( -0.602 -3.772 1.325) 4.043 3.051 ( -0.488 1.488 -2.045) 2.576 3.069 ( -0.535 1.144 -1.524) 1.979 3.103 ( -0.131 3.549 -2.283) 4.221 3.211 ( 0.961 -6.120 -3.493) 7.111 3.369 ( 1.913 6.130 1.246) 6.541 3.385 ( 4.329 5.874 5.212) 8.967 3.470 ( 3.800 1.419 1.793) 4.435 3.502 ( 5.460 -3.551 2.789) 7.085 3.558 ( 0.193 1.717 0.371) 1.767 3.595 ( 2.359 -1.789 -0.037) 2.961 3.677 ( 1.419 2.057 6.732) 7.181 3.729 ( 0.918 1.865 -1.636) 2.645 3.786 ( 3.998 -3.087 4.512) 6.773 3.813 ( 2.911 -1.443 0.583) 3.300 3.896 ( 4.445 3.233 -0.879) 5.567 3.973 ( 2.424 -3.815 -3.677) 5.827 4.056 ( 0.110 3.659 -0.987) 3.791 4.117 ( -1.774 -1.796 -1.230) 2.808 4.212 ( -1.964 1.273 1.287) 2.671 4.253 ( -2.646 -1.604 -3.780) 4.885 4.390 ( -2.471 0.768 1.296) 2.894 4.418 ( -1.343 -2.325 -0.723) 2.781 4.508 ( -1.737 1.093 -0.951) 2.262 4.581 ( 0.327 -4.793 0.387) 4.820 4.695 ( 3.384 3.965 0.594) 5.246 4.786 ( -1.791 -3.859 -1.104) 4.395 4.825 ( -0.691 1.377 -1.450) 2.115 4.852 ( -0.040 0.936 -1.355) 1.647 4.934 ( -0.291 5.009 0.816) 5.083 5.022 ( -4.005 0.095 0.139) 4.009 5.122 ( -1.664 -4.990 1.730) 5.537 5.156 ( -3.708 -5.769 0.277) 6.863 5.355 ( 0.599 2.290 3.143) 3.935 5.432 ( -4.606 -5.489 -0.294) 7.172 5.681 ( -0.533 1.478 -1.674) 2.296 5.763 ( -0.465 -5.880 -0.389) 5.911 6.151 ( 1.220 7.429 -0.394) 7.539 6.240 ( 2.648 8.595 -1.047) 9.054 6.253 ( -0.260 -0.956 -0.485) 1.104 6.412 ( 1.853 -6.140 -0.512) 6.434 6.679 ( 1.736 1.152 1.068) 2.341 6.709 ( 1.972 -1.560 -0.128) 2.518 7.078 ( 0.083 8.455 -1.083) 8.525 7.274 ( 0.880 -10.186 -1.281) 10.304 8.588 ( 2.803 2.540 0.312) 3.795 8.602 ( 2.384 1.059 0.204) 2.617 8.905 ( 5.671 5.920 -0.209) 8.201 8.932 ( 2.322 5.024 1.278) 5.681 9.210 ( 1.954 -1.496 -1.786) 3.040 9.271 ( -1.810 -5.127 1.200) 5.568 9.408 ( -2.961 0.286 1.721) 3.437 9.432 ( -4.266 -1.021 6.511) 7.851 9.466 ( 0.559 -1.669 -6.037) 6.289 9.526 ( 0.997 -5.510 -2.557) 6.156 9.850 ( -1.065 2.718 0.891) 3.052 9.906 ( 1.549 -2.147 0.403) 2.678 10.092 ( -0.657 3.555 0.593) 3.663 10.119 ( 1.215 2.056 -1.698) 2.931 10.139 ( -1.609 0.499 4.709) 5.001 10.156 ( 3.076 -1.114 -4.237) 5.353 10.754 ( -1.802 2.711 -0.742) 3.338 10.820 ( -0.614 -3.587 -0.043) 3.639 10.918 ( -2.893 1.124 1.384) 3.398 10.963 ( -4.690 -2.718 1.273) 5.568 12.452 ( 1.201 0.352 0.019) 1.252 12.458 ( 1.565 -0.188 0.368) 1.619 12.679 ( 0.489 3.951 -1.081) 4.125 12.762 ( -0.722 -3.951 -1.463) 4.275 18.843 ( 0.034 0.708 0.548) 0.896 18.864 ( 0.026 -1.312 0.362) 1.361 19.188 ( 0.280 2.300 -0.549) 2.381 19.209 ( -2.264 0.510 1.611) 2.826 19.259 ( -1.817 -0.868 0.975) 2.237 19.269 ( 0.198 -1.706 -3.873) 4.237 19.471 ( -0.348 2.234 0.261) 2.276 19.504 ( -0.446 -0.695 0.332) 0.890 19.823 ( 1.218 0.268 0.208) 1.264 19.851 ( 1.012 -2.116 0.400) 2.379 20.024 ( 0.471 1.623 -0.095) 1.693 20.051 ( 0.436 -1.042 -0.019) 1.129 20.380 ( 0.206 -0.322 -0.054) 0.386 20.383 ( 0.272 -0.616 0.063) 0.677 20.569 ( 0.858 1.067 -0.360) 1.416 20.574 ( 0.778 0.580 -0.430) 1.061 ======================= Grid point 45 (16/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( -0.568 0.000 16.515) 16.524 0.343 ( 2.355 0.000 18.187) 18.339 0.735 ( 6.319 0.000 38.146) 38.666 0.809 ( 4.499 0.000 -2.914) 5.360 0.990 ( -0.269 0.000 2.987) 2.999 1.024 ( -9.874 0.000 -3.651) 10.528 1.171 ( -1.869 0.000 1.507) 2.401 1.257 ( -1.668 0.000 2.837) 3.291 1.457 ( -1.350 0.000 -2.543) 2.879 1.473 ( -0.306 0.000 -2.693) 2.710 1.548 ( -0.029 0.000 -4.116) 4.116 1.585 ( 1.122 0.000 2.206) 2.475 1.597 ( 2.974 0.000 1.293) 3.243 1.741 ( 0.467 0.000 2.653) 2.694 1.804 ( -0.132 0.000 -5.067) 5.069 1.809 ( -1.784 0.000 4.189) 4.553 1.900 ( -1.395 0.000 -1.111) 1.783 1.908 ( 0.068 0.000 -1.143) 1.146 1.950 ( 1.522 0.000 -2.247) 2.714 2.034 ( -0.781 0.000 -0.343) 0.853 2.044 ( -1.155 0.000 -0.164) 1.167 2.072 ( 0.338 0.000 0.263) 0.428 2.114 ( 0.569 0.000 2.168) 2.242 2.258 ( 1.733 0.000 6.147) 6.387 2.263 ( -1.200 0.000 -4.324) 4.488 2.354 ( 0.567 0.000 2.280) 2.350 2.384 ( -1.436 0.000 0.980) 1.739 2.489 ( 2.759 0.000 2.019) 3.419 2.556 ( -2.040 0.000 -1.903) 2.790 2.639 ( 1.193 0.000 -1.367) 1.814 2.696 ( -0.817 0.000 0.129) 0.827 2.727 ( -0.303 0.000 -5.825) 5.833 2.733 ( -1.705 0.000 -0.087) 1.708 2.785 ( 1.528 0.000 -4.576) 4.824 2.821 ( 1.390 0.000 -1.271) 1.884 2.859 ( -0.285 0.000 1.593) 1.619 2.898 ( -0.945 0.000 -3.341) 3.472 2.993 ( 2.899 0.000 3.020) 4.186 3.013 ( 3.056 0.000 -2.495) 3.946 3.120 ( -2.415 0.000 -2.945) 3.809 3.126 ( -0.447 0.000 0.296) 0.536 3.212 ( 0.362 0.000 0.136) 0.387 3.269 ( -3.237 0.000 -0.922) 3.366 3.330 ( -0.293 0.000 1.620) 1.646 3.376 ( 0.111 0.000 2.257) 2.260 3.397 ( -1.300 0.000 -7.505) 7.617 3.503 ( -0.075 0.000 -6.454) 6.454 3.688 ( -0.493 0.000 -1.064) 1.173 3.774 ( -2.699 0.000 0.710) 2.791 3.909 ( -2.547 0.000 1.530) 2.971 3.909 ( -5.393 0.000 -0.359) 5.405 3.927 ( 2.686 0.000 1.259) 2.966 4.099 ( -12.514 0.000 3.627) 13.029 4.331 ( 0.178 0.000 -1.537) 1.547 4.406 ( 1.587 0.000 0.196) 1.599 4.422 ( 0.215 0.000 0.068) 0.225 4.472 ( -0.511 0.000 3.549) 3.586 4.506 ( 1.145 0.000 -1.845) 2.172 4.516 ( 0.195 0.000 0.990) 1.009 4.769 ( 0.639 0.000 -4.351) 4.398 4.815 ( 0.353 0.000 0.845) 0.916 4.858 ( -7.587 0.000 -0.482) 7.602 4.989 ( -0.929 0.000 3.448) 3.570 5.005 ( 1.281 0.000 -1.302) 1.827 5.062 ( 1.272 0.000 2.426) 2.740 5.117 ( -1.328 0.000 4.940) 5.116 5.149 ( -1.338 0.000 2.394) 2.743 5.191 ( 7.017 0.000 1.510) 7.177 5.285 ( -3.375 0.000 -4.482) 5.611 5.449 ( -1.484 0.000 -5.171) 5.380 5.487 ( 3.113 0.000 3.144) 4.424 5.623 ( 1.208 0.000 -2.694) 2.953 5.932 ( 0.441 0.000 4.928) 4.948 6.085 ( 0.084 0.000 -0.177) 0.196 6.326 ( -2.113 0.000 4.443) 4.920 6.383 ( -1.972 0.000 4.677) 5.076 6.428 ( -2.662 0.000 4.491) 5.221 6.572 ( -0.040 0.000 -0.421) 0.423 6.762 ( 3.119 0.000 -0.725) 3.202 7.365 ( 3.477 0.000 -10.732) 11.282 8.272 ( -3.204 0.000 -6.490) 7.237 8.300 ( 2.279 0.000 -8.407) 8.710 8.686 ( -2.255 0.000 4.247) 4.808 8.905 ( -1.008 0.000 0.531) 1.139 8.967 ( -2.100 0.000 3.406) 4.001 9.174 ( -1.230 0.000 -6.457) 6.573 9.308 ( 1.167 0.000 2.671) 2.915 9.451 ( 1.456 0.000 4.836) 5.051 9.633 ( 1.644 0.000 2.112) 2.677 9.690 ( -0.152 0.000 4.341) 4.344 9.769 ( 3.045 0.000 -4.932) 5.796 9.945 ( -19.464 0.000 1.532) 19.524 10.021 ( -2.667 0.000 2.488) 3.647 10.108 ( -2.019 0.000 0.819) 2.179 10.158 ( -1.403 0.000 -1.063) 1.760 10.357 ( 0.484 0.000 -2.311) 2.361 10.800 ( -0.273 0.000 1.571) 1.594 10.934 ( -0.059 0.000 -0.855) 0.857 11.443 ( -12.287 0.000 -0.304) 12.291 11.504 ( -1.472 0.000 -1.993) 2.477 12.213 ( 1.329 0.000 0.966) 1.643 12.272 ( -0.577 0.000 -0.201) 0.611 12.539 ( 39.329 0.000 0.538) 39.333 12.603 ( -2.445 0.000 -0.697) 2.542 18.885 ( -0.574 0.000 1.889) 1.975 19.024 ( -20.017 0.000 1.726) 20.092 19.050 ( 0.396 0.000 -0.452) 0.601 19.228 ( 2.460 0.000 -1.834) 3.069 19.451 ( -0.824 0.000 0.797) 1.146 19.546 ( 2.293 0.000 -0.214) 2.303 19.597 ( -1.098 0.000 -0.673) 1.288 19.638 ( 2.156 0.000 -1.303) 2.519 19.655 ( 10.539 0.000 0.866) 10.574 19.729 ( -1.460 0.000 -1.222) 1.904 19.900 ( -3.353 0.000 -2.691) 4.300 19.921 ( 1.084 0.000 -1.472) 1.828 20.316 ( 0.153 0.000 1.353) 1.362 20.373 ( 0.749 0.000 1.649) 1.812 20.376 ( 2.935 0.000 0.029) 2.936 20.388 ( 1.084 0.000 0.695) 1.287 ======================= Grid point 46 (17/84) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 5.078 0.000 8.539) 9.935 0.649 ( 8.526 0.000 14.352) 16.694 0.890 ( -2.515 0.000 -0.825) 2.647 0.892 ( 5.316 0.000 1.395) 5.496 1.058 ( 3.829 0.000 3.347) 5.085 1.119 ( -2.115 0.000 -1.534) 2.612 1.297 ( 1.260 0.000 2.939) 3.198 1.305 ( 7.128 0.000 8.372) 10.996 1.441 ( 4.605 0.000 -2.429) 5.207 1.513 ( 0.841 0.000 -2.142) 2.302 1.549 ( 11.996 0.000 12.365) 17.228 1.626 ( 4.482 0.000 -0.239) 4.488 1.730 ( -0.710 0.000 -4.434) 4.491 1.735 ( 2.246 0.000 5.782) 6.203 1.790 ( -1.995 0.000 -0.862) 2.174 1.829 ( 5.260 0.000 5.628) 7.703 1.896 ( 2.262 0.000 -1.031) 2.486 1.906 ( 0.916 0.000 0.029) 0.916 1.966 ( 1.385 0.000 1.079) 1.756 2.035 ( 0.488 0.000 0.469) 0.677 2.045 ( 1.390 0.000 -0.128) 1.396 2.095 ( 1.730 0.000 0.712) 1.871 2.171 ( 2.042 0.000 3.551) 4.097 2.194 ( -0.452 0.000 -2.631) 2.669 2.320 ( 0.622 0.000 -0.090) 0.628 2.390 ( 0.489 0.000 -3.110) 3.148 2.399 ( 0.281 0.000 1.136) 1.171 2.488 ( -0.785 0.000 0.133) 0.796 2.503 ( -3.552 0.000 -1.980) 4.067 2.608 ( -2.157 0.000 -3.030) 3.719 2.647 ( 3.961 0.000 -7.026) 8.066 2.712 ( -2.011 0.000 -1.528) 2.526 2.716 ( 0.005 0.000 -5.392) 5.392 2.737 ( -0.510 0.000 -0.699) 0.865 2.780 ( 0.587 0.000 -0.565) 0.815 2.890 ( 2.737 0.000 -2.501) 3.707 2.897 ( 4.087 0.000 1.102) 4.233 3.015 ( -2.055 0.000 -5.435) 5.810 3.044 ( 1.004 0.000 1.495) 1.801 3.066 ( 0.365 0.000 1.736) 1.774 3.141 ( 3.290 0.000 0.366) 3.311 3.222 ( -2.681 0.000 2.215) 3.478 3.280 ( 0.084 0.000 6.605) 6.606 3.331 ( -0.677 0.000 0.952) 1.168 3.346 ( 3.939 0.000 -5.667) 6.901 3.384 ( 1.821 0.000 -3.619) 4.051 3.460 ( 4.136 0.000 -4.219) 5.908 3.657 ( -5.645 0.000 3.778) 6.792 3.694 ( -2.803 0.000 0.843) 2.927 3.814 ( -4.932 0.000 0.444) 4.952 3.843 ( -3.568 0.000 0.968) 3.697 3.957 ( 1.157 0.000 -2.272) 2.550 4.134 ( 3.023 0.000 3.363) 4.522 4.288 ( -2.023 0.000 -1.852) 2.742 4.415 ( -2.825 0.000 1.067) 3.020 4.440 ( 1.461 0.000 2.461) 2.862 4.501 ( 1.788 0.000 -1.759) 2.509 4.536 ( 2.541 0.000 -0.541) 2.598 4.553 ( 0.445 0.000 6.318) 6.333 4.697 ( -3.148 0.000 -2.517) 4.030 4.800 ( -1.469 0.000 -0.763) 1.656 4.804 ( -2.549 0.000 0.443) 2.587 4.977 ( -3.380 0.000 1.033) 3.535 5.001 ( -0.875 0.000 -0.558) 1.038 5.094 ( -2.548 0.000 -2.080) 3.289 5.094 ( -3.446 0.000 2.027) 3.998 5.166 ( 1.867 0.000 3.429) 3.904 5.283 ( 4.378 0.000 2.939) 5.273 5.298 ( 3.275 0.000 -0.659) 3.341 5.370 ( 0.463 0.000 -4.419) 4.443 5.561 ( 1.723 0.000 1.526) 2.302 5.640 ( 3.187 0.000 -2.398) 3.988 5.974 ( -1.468 0.000 3.207) 3.527 6.079 ( -0.635 0.000 -0.199) 0.665 6.364 ( 0.284 0.000 4.370) 4.380 6.426 ( -1.068 0.000 4.319) 4.449 6.459 ( 0.022 0.000 5.352) 5.352 6.591 ( 2.412 0.000 0.797) 2.540 6.836 ( 4.838 0.000 -0.104) 4.839 7.316 ( 7.271 0.000 -12.774) 14.698 8.148 ( -0.058 0.000 -6.641) 6.641 8.279 ( 6.670 0.000 -7.444) 9.995 8.713 ( -1.161 0.000 5.146) 5.275 8.839 ( -4.831 0.000 -1.230) 4.985 8.988 ( 0.915 0.000 2.459) 2.624 9.184 ( 6.327 0.000 -1.504) 6.503 9.366 ( 0.916 0.000 3.916) 4.021 9.471 ( 0.415 0.000 -0.509) 0.657 9.716 ( -2.515 0.000 -3.793) 4.551 9.724 ( 3.791 0.000 -2.873) 4.757 9.813 ( 2.553 0.000 10.483) 10.790 9.866 ( -2.051 0.000 7.398) 7.677 10.008 ( -1.155 0.000 1.441) 1.847 10.095 ( -3.513 0.000 -2.011) 4.048 10.110 ( 0.034 0.000 0.858) 0.858 10.317 ( -1.038 0.000 -5.412) 5.510 10.807 ( -1.215 0.000 2.067) 2.398 10.909 ( -1.383 0.000 -0.831) 1.614 11.311 ( -7.452 0.000 4.494) 8.702 11.390 ( -7.852 0.000 -1.105) 7.930 12.274 ( 1.503 0.000 -0.554) 1.602 12.297 ( 5.760 0.000 0.952) 5.838 12.528 ( -2.923 0.000 -3.338) 4.437 12.893 ( 13.536 0.000 -9.919) 16.782 18.870 ( -6.602 0.000 6.108) 8.995 18.903 ( -0.795 0.000 2.437) 2.563 19.056 ( 0.935 0.000 -0.686) 1.159 19.250 ( 1.916 0.000 -0.725) 2.049 19.443 ( -0.945 0.000 0.435) 1.040 19.496 ( -6.106 0.000 -2.455) 6.581 19.556 ( -1.256 0.000 1.034) 1.627 19.652 ( -5.528 0.000 -0.582) 5.558 19.701 ( 4.613 0.000 -2.618) 5.305 19.784 ( 6.079 0.000 -2.324) 6.508 19.836 ( 1.007 0.000 -2.390) 2.593 19.949 ( 3.439 0.000 -1.053) 3.596 20.341 ( 0.830 0.000 1.292) 1.536 20.401 ( 0.431 0.000 0.506) 0.665 20.416 ( 1.915 0.000 1.117) 2.217 20.430 ( 3.362 0.000 -1.726) 3.779 ======================= Grid point 47 (18/84) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -3.192 0.000 -4.547) 5.556 0.910 ( 6.948 0.000 2.329) 7.328 0.952 ( 3.126 0.000 1.619) 3.521 1.037 ( 6.443 0.000 9.639) 11.594 1.093 ( 1.689 0.000 3.915) 4.264 1.184 ( 5.042 0.000 3.542) 6.162 1.346 ( 3.450 0.000 -5.347) 6.363 1.357 ( 2.159 0.000 3.103) 3.780 1.518 ( 1.429 0.000 -0.851) 1.663 1.532 ( 6.992 0.000 -3.506) 7.821 1.665 ( -1.753 0.000 -2.140) 2.766 1.710 ( -2.307 0.000 0.508) 2.362 1.720 ( 5.495 0.000 0.689) 5.538 1.789 ( 2.882 0.000 4.195) 5.090 1.831 ( 1.255 0.000 1.230) 1.758 1.913 ( 1.118 0.000 -1.138) 1.595 1.916 ( 0.827 0.000 -2.096) 2.253 2.012 ( 1.076 0.000 1.060) 1.511 2.050 ( 2.001 0.000 -2.435) 3.152 2.053 ( 1.328 0.000 -3.190) 3.456 2.109 ( 3.010 0.000 7.171) 7.777 2.140 ( 1.595 0.000 0.347) 1.632 2.200 ( 1.989 0.000 0.655) 2.094 2.226 ( -3.794 0.000 -6.194) 7.264 2.246 ( -0.011 0.000 -1.277) 1.278 2.354 ( 6.410 0.000 0.131) 6.412 2.446 ( 4.753 0.000 7.272) 8.687 2.471 ( -2.225 0.000 -0.223) 2.236 2.533 ( -3.541 0.000 -5.394) 6.452 2.579 ( 5.029 0.000 5.816) 7.689 2.603 ( 3.480 0.000 -2.609) 4.350 2.626 ( -2.192 0.000 -1.042) 2.427 2.713 ( 5.830 0.000 -2.782) 6.460 2.785 ( 3.763 0.000 -1.758) 4.153 2.787 ( 1.126 0.000 0.316) 1.170 2.883 ( 0.280 0.000 -3.021) 3.034 2.913 ( -2.361 0.000 -2.456) 3.407 3.002 ( 4.436 0.000 1.214) 4.599 3.077 ( 0.410 0.000 -0.753) 0.858 3.109 ( 1.818 0.000 4.978) 5.299 3.173 ( 0.065 0.000 -0.466) 0.471 3.245 ( -3.791 0.000 -1.726) 4.165 3.259 ( 2.179 0.000 3.637) 4.240 3.377 ( 4.795 0.000 2.222) 5.285 3.395 ( 3.451 0.000 1.720) 3.856 3.456 ( 8.443 0.000 -3.884) 9.294 3.523 ( 4.785 0.000 0.593) 4.822 3.589 ( -6.193 0.000 1.550) 6.385 3.664 ( -0.053 0.000 0.328) 0.332 3.769 ( -1.843 0.000 1.884) 2.635 3.845 ( 1.450 0.000 2.480) 2.873 3.915 ( -0.363 0.000 -5.065) 5.078 4.201 ( -0.272 0.000 2.922) 2.934 4.233 ( -2.732 0.000 -0.854) 2.862 4.338 ( -6.560 0.000 1.381) 6.704 4.501 ( 1.800 0.000 0.494) 1.866 4.539 ( 3.196 0.000 -0.143) 3.200 4.540 ( -2.790 0.000 0.226) 2.799 4.622 ( -1.349 0.000 4.673) 4.863 4.628 ( -1.329 0.000 -2.245) 2.609 4.744 ( -3.667 0.000 -1.332) 3.901 4.747 ( -2.150 0.000 -1.736) 2.763 4.910 ( -2.659 0.000 -1.654) 3.132 4.944 ( -4.202 0.000 -1.497) 4.460 5.018 ( -5.414 0.000 -0.083) 5.414 5.059 ( -1.255 0.000 1.940) 2.310 5.278 ( 3.851 0.000 5.759) 6.928 5.309 ( 0.699 0.000 -2.680) 2.769 5.387 ( 4.232 0.000 -0.023) 4.232 5.416 ( 7.874 0.000 0.416) 7.885 5.586 ( -0.214 0.000 1.002) 1.025 5.656 ( 3.001 0.000 -4.061) 5.050 5.959 ( -3.386 0.000 1.693) 3.786 6.054 ( -1.615 0.000 -0.648) 1.740 6.416 ( -4.171 0.000 2.937) 5.101 6.432 ( 1.972 0.000 3.472) 3.993 6.562 ( 2.223 0.000 7.083) 7.424 6.651 ( 3.478 0.000 -0.467) 3.509 6.888 ( 2.614 0.000 -2.781) 3.817 7.324 ( 10.855 0.000 -12.260) 16.375 8.150 ( 6.228 0.000 -1.757) 6.471 8.365 ( 10.243 0.000 -2.769) 10.611 8.748 ( -4.676 0.000 0.203) 4.681 8.761 ( -1.386 0.000 6.281) 6.432 9.061 ( 5.218 0.000 0.523) 5.244 9.290 ( 5.996 0.000 -1.045) 6.086 9.420 ( -0.081 0.000 2.496) 2.498 9.472 ( 2.544 0.000 -2.760) 3.754 9.634 ( -3.097 0.000 0.643) 3.163 9.725 ( 2.801 0.000 -5.175) 5.884 9.884 ( -2.320 0.000 6.477) 6.880 9.972 ( -3.979 0.000 -7.057) 8.101 10.021 ( 2.394 0.000 9.954) 10.238 10.023 ( -2.581 0.000 4.006) 4.766 10.120 ( 0.033 0.000 0.609) 0.610 10.196 ( -3.168 0.000 -6.248) 7.005 10.812 ( -1.046 0.000 2.231) 2.464 10.863 ( -3.375 0.000 -0.757) 3.459 11.236 ( -9.030 0.000 0.409) 9.039 11.236 ( -7.524 0.000 3.289) 8.212 12.317 ( 3.789 0.000 0.108) 3.791 12.403 ( 4.434 0.000 0.692) 4.487 12.456 ( 1.307 0.000 -4.080) 4.284 12.917 ( 2.872 0.000 -7.383) 7.922 18.858 ( -3.009 0.000 4.789) 5.656 18.917 ( -0.787 0.000 2.120) 2.261 19.063 ( 1.352 0.000 -1.546) 2.054 19.276 ( 1.366 0.000 0.138) 1.373 19.364 ( -5.790 0.000 -1.641) 6.018 19.429 ( -1.093 0.000 0.094) 1.097 19.499 ( -7.285 0.000 -3.562) 8.109 19.536 ( -2.252 0.000 1.038) 2.480 19.773 ( 4.937 0.000 -0.613) 4.975 19.855 ( 4.434 0.000 -0.561) 4.470 19.859 ( 2.240 0.000 0.099) 2.243 20.003 ( 3.275 0.000 0.057) 3.276 20.373 ( 1.383 0.000 0.722) 1.560 20.403 ( 0.145 0.000 -0.708) 0.723 20.457 ( 2.041 0.000 -0.008) 2.041 20.467 ( 2.890 0.000 -1.220) 3.137 ======================= Grid point 48 (19/84) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -2.661 0.000 -1.661) 3.137 0.955 ( 2.148 0.000 -3.900) 4.453 1.005 ( 5.494 0.000 -0.443) 5.512 1.233 ( 4.180 0.000 0.201) 4.185 1.240 ( 2.343 0.000 7.487) 7.845 1.325 ( 5.369 0.000 7.198) 8.980 1.348 ( 3.716 0.000 -4.231) 5.632 1.454 ( 3.992 0.000 3.778) 5.496 1.516 ( 1.873 0.000 -12.230) 12.373 1.532 ( 0.980 0.000 -0.455) 1.081 1.621 ( -2.210 0.000 0.580) 2.285 1.708 ( -1.423 0.000 4.240) 4.472 1.810 ( -0.553 0.000 3.164) 3.212 1.845 ( 2.338 0.000 0.391) 2.370 1.849 ( -0.575 0.000 0.841) 1.019 1.905 ( 0.434 0.000 -0.053) 0.438 1.925 ( 3.911 0.000 -0.858) 4.004 1.985 ( -1.906 0.000 -3.568) 4.046 1.991 ( 1.342 0.000 -4.333) 4.536 2.086 ( 2.113 0.000 1.198) 2.429 2.135 ( -1.189 0.000 -0.155) 1.199 2.156 ( 0.484 0.000 0.916) 1.036 2.215 ( -0.269 0.000 0.208) 0.340 2.264 ( 2.857 0.000 1.667) 3.307 2.267 ( 1.177 0.000 2.261) 2.549 2.351 ( -2.677 0.000 -0.506) 2.725 2.377 ( -1.041 0.000 -4.497) 4.616 2.449 ( 1.876 0.000 -3.386) 3.871 2.550 ( -3.062 0.000 -1.092) 3.251 2.565 ( 1.526 0.000 1.760) 2.329 2.663 ( 0.847 0.000 -2.759) 2.886 2.686 ( 2.294 0.000 -2.891) 3.691 2.802 ( 3.994 0.000 -0.406) 4.014 2.803 ( -0.193 0.000 1.387) 1.400 2.873 ( 1.713 0.000 -0.898) 1.934 2.896 ( 4.095 0.000 3.279) 5.245 2.905 ( 4.432 0.000 -1.792) 4.780 3.057 ( 0.393 0.000 1.475) 1.527 3.080 ( 0.903 0.000 -0.302) 0.952 3.149 ( -1.420 0.000 -1.099) 1.796 3.189 ( 2.434 0.000 -5.330) 5.860 3.212 ( 1.065 0.000 2.839) 3.033 3.389 ( 4.248 0.000 2.028) 4.708 3.480 ( 2.315 0.000 3.043) 3.823 3.514 ( 9.173 0.000 6.898) 11.477 3.522 ( 4.285 0.000 -4.313) 6.079 3.579 ( 3.677 0.000 5.739) 6.816 3.617 ( 2.526 0.000 4.622) 5.268 3.720 ( 4.823 0.000 0.773) 4.885 3.755 ( -1.908 0.000 0.305) 1.932 3.881 ( 3.121 0.000 -3.742) 4.872 3.925 ( 1.924 0.000 4.739) 5.115 4.152 ( -6.162 0.000 0.611) 6.192 4.199 ( -2.215 0.000 1.304) 2.571 4.261 ( -4.256 0.000 1.721) 4.591 4.408 ( -9.646 0.000 -5.743) 11.226 4.461 ( -5.975 0.000 -0.787) 6.026 4.559 ( -2.845 0.000 0.960) 3.002 4.590 ( -0.429 0.000 -2.141) 2.184 4.619 ( 0.834 0.000 -0.915) 1.238 4.675 ( -1.263 0.000 -1.034) 1.632 4.706 ( -0.531 0.000 -3.052) 3.098 4.865 ( -3.147 0.000 0.318) 3.163 4.874 ( -0.829 0.000 0.389) 0.916 4.926 ( -4.106 0.000 -0.041) 4.106 5.070 ( -0.606 0.000 1.002) 1.171 5.279 ( -0.271 0.000 -1.845) 1.865 5.403 ( 1.881 0.000 4.155) 4.561 5.493 ( 6.105 0.000 2.698) 6.675 5.567 ( 10.614 0.000 -1.724) 10.754 5.586 ( -1.083 0.000 1.070) 1.523 5.652 ( 2.387 0.000 -4.309) 4.925 5.905 ( -4.402 0.000 1.159) 4.552 6.010 ( -2.401 0.000 -0.881) 2.557 6.367 ( -6.196 0.000 4.560) 7.693 6.502 ( 1.649 0.000 2.269) 2.805 6.659 ( 2.140 0.000 -0.016) 2.140 6.714 ( 2.063 0.000 5.257) 5.647 6.874 ( 1.469 0.000 -3.981) 4.243 7.389 ( 11.375 0.000 -9.850) 15.047 8.294 ( 8.898 0.000 1.902) 9.099 8.543 ( 10.191 0.000 1.029) 10.243 8.680 ( -5.056 0.000 1.971) 5.426 8.807 ( -2.690 0.000 6.746) 7.263 9.166 ( 8.371 0.000 -2.930) 8.869 9.321 ( 0.660 0.000 -2.600) 2.683 9.407 ( -2.011 0.000 -0.123) 2.015 9.514 ( 5.281 0.000 -2.833) 5.993 9.639 ( -2.556 0.000 3.973) 4.724 9.726 ( 6.256 0.000 -6.714) 9.177 9.782 ( -4.743 0.000 -6.545) 8.083 9.911 ( -1.916 0.000 4.136) 4.558 10.015 ( -3.621 0.000 2.215) 4.245 10.088 ( -3.970 0.000 4.307) 5.858 10.116 ( -0.874 0.000 -1.041) 1.359 10.161 ( 0.349 0.000 4.565) 4.578 10.769 ( -5.441 0.000 -1.298) 5.594 10.830 ( 0.960 0.000 1.219) 1.552 11.087 ( -6.260 0.000 -1.835) 6.523 11.130 ( -8.291 0.000 1.446) 8.416 12.400 ( 4.445 0.000 1.046) 4.566 12.426 ( 1.273 0.000 -1.150) 1.716 12.524 ( 5.211 0.000 1.288) 5.368 12.856 ( -0.396 0.000 -4.946) 4.962 18.863 ( -2.143 0.000 3.247) 3.890 18.925 ( -1.059 0.000 1.972) 2.239 19.065 ( 1.938 0.000 -2.633) 3.269 19.266 ( -2.578 0.000 -1.611) 3.040 19.288 ( -1.919 0.000 -0.811) 2.083 19.361 ( -3.831 0.000 -0.088) 3.832 19.410 ( -0.856 0.000 -0.341) 0.921 19.511 ( -1.792 0.000 0.786) 1.957 19.843 ( 3.108 0.000 -0.049) 3.109 19.900 ( 1.314 0.000 1.365) 1.894 19.920 ( 2.902 0.000 0.397) 2.929 20.052 ( 1.873 0.000 0.139) 1.878 20.398 ( 0.575 0.000 -0.868) 1.041 20.405 ( 1.463 0.000 0.416) 1.521 20.489 ( 1.808 0.000 -0.288) 1.831 20.497 ( 2.092 0.000 -0.936) 2.292 ======================= Grid point 49 (20/84) ======================= q-point: ( 0.44 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 0.533 0.000 6.273) 6.296 0.967 ( 2.585 0.000 -1.005) 2.773 1.078 ( 1.291 0.000 -1.055) 1.668 1.259 ( 2.732 0.000 -1.875) 3.314 1.280 ( -2.112 0.000 -0.655) 2.211 1.363 ( 1.166 0.000 -11.770) 11.828 1.388 ( 3.936 0.000 -0.771) 4.011 1.489 ( 4.871 0.000 3.108) 5.778 1.529 ( -0.906 0.000 0.681) 1.134 1.530 ( -0.227 0.000 -1.008) 1.033 1.610 ( -1.676 0.000 3.472) 3.855 1.756 ( -4.318 0.000 -2.987) 5.251 1.779 ( -2.563 0.000 9.175) 9.526 1.812 ( -1.010 0.000 -1.641) 1.927 1.902 ( 1.838 0.000 0.510) 1.907 1.910 ( 0.149 0.000 -1.988) 1.994 1.944 ( 1.501 0.000 1.292) 1.981 2.006 ( 1.720 0.000 3.540) 3.935 2.013 ( 3.010 0.000 1.124) 3.213 2.112 ( -1.442 0.000 0.837) 1.667 2.138 ( 1.269 0.000 2.895) 3.161 2.153 ( -0.751 0.000 -1.726) 1.883 2.187 ( 0.181 0.000 1.397) 1.408 2.295 ( -0.366 0.000 -0.693) 0.784 2.302 ( -0.527 0.000 2.307) 2.367 2.337 ( -0.614 0.000 2.015) 2.106 2.409 ( 4.619 0.000 0.501) 4.646 2.439 ( 2.131 0.000 -5.319) 5.730 2.501 ( -1.467 0.000 -0.030) 1.467 2.563 ( -0.345 0.000 -2.492) 2.516 2.607 ( -1.384 0.000 -0.858) 1.628 2.694 ( 2.090 0.000 -1.208) 2.415 2.806 ( -0.635 0.000 0.529) 0.827 2.846 ( 1.302 0.000 -1.199) 1.770 2.907 ( 0.785 0.000 0.267) 0.829 2.933 ( 0.379 0.000 -1.355) 1.407 2.969 ( 5.370 0.000 -4.195) 6.814 3.076 ( -0.437 0.000 -1.458) 1.522 3.085 ( 0.220 0.000 4.056) 4.062 3.119 ( 0.808 0.000 -1.958) 2.118 3.206 ( 5.145 0.000 -3.530) 6.239 3.210 ( -2.617 0.000 0.937) 2.780 3.400 ( -0.370 0.000 1.179) 1.236 3.484 ( 1.112 0.000 -6.214) 6.312 3.550 ( 1.550 0.000 2.808) 3.208 3.655 ( -0.615 0.000 -0.094) 0.622 3.712 ( -2.836 0.000 2.471) 3.762 3.759 ( 1.130 0.000 7.622) 7.705 3.803 ( 3.831 0.000 -2.441) 4.543 3.820 ( 0.882 0.000 1.675) 1.893 3.880 ( 3.633 0.000 -5.711) 6.768 4.009 ( -0.061 0.000 6.195) 6.196 4.071 ( -5.170 0.000 2.712) 5.838 4.112 ( -4.191 0.000 -2.391) 4.825 4.205 ( -1.294 0.000 -0.067) 1.296 4.233 ( -1.789 0.000 2.642) 3.191 4.335 ( -3.799 0.000 -3.001) 4.841 4.526 ( -0.492 0.000 -0.904) 1.029 4.571 ( 1.214 0.000 -0.793) 1.450 4.590 ( 0.421 0.000 -5.221) 5.238 4.679 ( 0.121 0.000 0.035) 0.126 4.687 ( 1.207 0.000 2.882) 3.124 4.837 ( -0.942 0.000 1.898) 2.119 4.869 ( -1.008 0.000 0.828) 1.304 4.899 ( -1.134 0.000 1.731) 2.069 5.041 ( -0.680 0.000 -3.523) 3.588 5.275 ( 0.689 0.000 0.489) 0.845 5.414 ( -1.342 0.000 -2.268) 2.636 5.577 ( -1.066 0.000 0.669) 1.259 5.618 ( -1.299 0.000 -2.817) 3.102 5.645 ( 5.646 0.000 3.358) 6.569 5.728 ( 8.795 0.000 -1.165) 8.871 5.859 ( -2.721 0.000 2.178) 3.485 5.949 ( -3.477 0.000 -0.689) 3.544 6.333 ( -4.969 0.000 6.916) 8.516 6.529 ( -0.385 0.000 0.306) 0.491 6.658 ( 0.433 0.000 -2.735) 2.769 6.810 ( -1.010 0.000 7.604) 7.670 6.873 ( 2.396 0.000 -1.633) 2.900 7.472 ( 9.281 0.000 -6.681) 11.436 8.458 ( 6.701 0.000 1.882) 6.960 8.602 ( -7.556 0.000 2.560) 7.978 8.690 ( 4.963 0.000 0.416) 4.980 8.798 ( -6.432 0.000 3.784) 7.463 9.276 ( 7.969 0.000 -4.764) 9.285 9.306 ( 1.965 0.000 -2.053) 2.842 9.388 ( 1.900 0.000 -0.193) 1.910 9.531 ( -7.886 0.000 -0.770) 7.923 9.550 ( 3.250 0.000 -3.374) 4.685 9.768 ( 1.017 0.000 2.848) 3.024 9.777 ( 7.701 0.000 -7.001) 10.408 9.910 ( -2.127 0.000 1.512) 2.609 9.965 ( -2.924 0.000 1.006) 3.092 10.052 ( -4.480 0.000 2.627) 5.193 10.120 ( -0.016 0.000 2.433) 2.433 10.181 ( -3.754 0.000 4.307) 5.713 10.686 ( -1.737 0.000 -0.607) 1.839 10.875 ( 3.966 0.000 -1.061) 4.105 10.990 ( -7.964 0.000 -0.718) 7.996 10.997 ( -0.693 0.000 -2.684) 2.773 12.433 ( 0.920 0.000 -1.088) 1.425 12.462 ( 1.040 0.000 -0.020) 1.040 12.618 ( 1.031 0.000 4.298) 4.420 12.825 ( 1.967 0.000 -1.015) 2.214 18.856 ( -2.166 0.000 1.751) 2.785 18.928 ( -1.310 0.000 1.895) 2.304 19.074 ( 3.091 0.000 -2.907) 4.243 19.205 ( -3.007 0.000 -2.076) 3.654 19.234 ( 0.876 0.000 -1.493) 1.731 19.366 ( -0.733 0.000 4.060) 4.125 19.394 ( -0.109 0.000 -0.855) 0.862 19.494 ( -1.007 0.000 0.545) 1.145 19.872 ( 0.691 0.000 -0.401) 0.799 19.933 ( 0.034 0.000 2.017) 2.017 19.952 ( 0.584 0.000 -0.387) 0.701 20.070 ( 0.542 0.000 -0.244) 0.594 20.403 ( 0.748 0.000 -0.383) 0.840 20.425 ( 0.346 0.000 -0.023) 0.347 20.513 ( 0.885 0.000 0.299) 0.935 20.520 ( 1.295 0.000 -0.092) 1.298 ======================= Grid point 50 (21/84) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 1.369 0.000 10.304) 10.395 1.011 ( 1.913 0.000 0.724) 2.046 1.033 ( -1.151 0.000 -3.674) 3.850 1.169 ( -7.354 0.000 -2.680) 7.827 1.222 ( -4.463 0.000 -6.676) 8.031 1.257 ( -4.149 0.000 -2.150) 4.673 1.422 ( -5.198 0.000 -6.132) 8.039 1.452 ( 3.375 0.000 0.482) 3.409 1.537 ( 1.729 0.000 0.470) 1.792 1.616 ( 4.423 0.000 1.057) 4.547 1.636 ( -0.165 0.000 3.720) 3.723 1.641 ( 0.181 0.000 -3.518) 3.522 1.786 ( 0.297 0.000 -2.529) 2.547 1.790 ( -4.128 0.000 0.624) 4.175 1.894 ( 0.352 0.000 -0.202) 0.406 1.959 ( -0.534 0.000 4.374) 4.407 2.012 ( -0.704 0.000 3.971) 4.033 2.050 ( -0.376 0.000 0.159) 0.409 2.066 ( 3.100 0.000 5.302) 6.141 2.115 ( -0.697 0.000 2.817) 2.902 2.149 ( 1.121 0.000 0.763) 1.356 2.191 ( -2.223 0.000 1.223) 2.537 2.218 ( -1.745 0.000 0.818) 1.927 2.271 ( -0.461 0.000 0.905) 1.015 2.273 ( -0.139 0.000 0.204) 0.246 2.382 ( 0.796 0.000 4.613) 4.681 2.425 ( 2.185 0.000 -3.144) 3.829 2.457 ( 0.043 0.000 1.262) 1.263 2.497 ( -2.352 0.000 -5.130) 5.643 2.518 ( 2.186 0.000 1.356) 2.572 2.661 ( 7.114 0.000 0.747) 7.153 2.719 ( 1.815 0.000 -2.785) 3.324 2.779 ( -2.943 0.000 -1.819) 3.459 2.832 ( -1.027 0.000 0.069) 1.029 2.882 ( -0.833 0.000 -0.942) 1.257 2.892 ( -2.458 0.000 -1.855) 3.080 2.986 ( 0.593 0.000 -1.147) 1.291 3.078 ( 1.562 0.000 0.636) 1.686 3.078 ( -3.214 0.000 -4.575) 5.591 3.162 ( 0.375 0.000 4.176) 4.192 3.192 ( -0.520 0.000 0.785) 0.941 3.206 ( -1.620 0.000 -2.671) 3.124 3.373 ( -5.755 0.000 -4.413) 7.252 3.469 ( 3.302 0.000 -2.988) 4.453 3.497 ( -11.832 0.000 -6.990) 13.742 3.565 ( -5.751 0.000 -1.337) 5.904 3.604 ( -1.495 0.000 1.574) 2.171 3.648 ( -1.010 0.000 0.263) 1.044 3.789 ( -3.471 0.000 -1.578) 3.813 3.792 ( -2.434 0.000 2.008) 3.156 3.986 ( 5.224 0.000 3.932) 6.538 4.039 ( 1.328 0.000 0.904) 1.606 4.045 ( -4.958 0.000 6.633) 8.281 4.123 ( -0.213 0.000 -3.064) 3.071 4.234 ( -2.414 0.000 2.215) 3.276 4.240 ( 8.252 0.000 -2.795) 8.712 4.400 ( 6.328 0.000 4.155) 7.570 4.498 ( 2.732 0.000 -5.314) 5.976 4.556 ( -1.623 0.000 -0.980) 1.896 4.627 ( 4.968 0.000 0.460) 4.989 4.711 ( 3.382 0.000 -0.020) 3.382 4.742 ( -1.095 0.000 2.310) 2.556 4.871 ( 0.252 0.000 2.796) 2.807 4.873 ( 0.430 0.000 3.780) 3.804 4.913 ( 0.697 0.000 1.810) 1.939 4.990 ( 0.405 0.000 -2.927) 2.955 5.297 ( 1.817 0.000 -1.381) 2.282 5.310 ( -3.709 0.000 -7.287) 8.176 5.552 ( -3.787 0.000 0.907) 3.895 5.567 ( -0.877 0.000 0.468) 0.995 5.746 ( -6.083 0.000 -1.827) 6.351 5.759 ( 3.072 0.000 1.952) 3.639 5.852 ( -0.963 0.000 1.401) 1.700 5.939 ( 3.906 0.000 0.220) 3.912 6.371 ( -1.088 0.000 7.929) 8.004 6.503 ( -2.213 0.000 -0.405) 2.250 6.616 ( -2.430 0.000 -1.298) 2.755 6.839 ( -5.079 0.000 5.742) 7.666 6.902 ( 2.099 0.000 -1.034) 2.339 7.541 ( 5.608 0.000 -3.890) 6.825 8.480 ( -9.579 0.000 3.048) 10.052 8.573 ( 4.726 0.000 1.482) 4.953 8.680 ( -7.957 0.000 0.100) 7.957 8.740 ( 0.228 0.000 1.000) 1.026 9.275 ( -3.090 0.000 -4.722) 5.643 9.349 ( 3.661 0.000 0.329) 3.676 9.385 ( -1.619 0.000 -0.899) 1.852 9.474 ( 1.983 0.000 -1.645) 2.576 9.555 ( 1.683 0.000 -3.194) 3.610 9.768 ( 0.722 0.000 -7.796) 7.829 9.842 ( 3.248 0.000 5.042) 5.998 9.875 ( -2.704 0.000 -0.916) 2.855 9.977 ( 1.944 0.000 2.098) 2.861 10.013 ( -2.755 0.000 2.207) 3.530 10.161 ( -2.875 0.000 2.755) 3.982 10.173 ( 1.541 0.000 4.505) 4.761 10.704 ( 3.492 0.000 0.325) 3.507 10.854 ( -5.733 0.000 -1.423) 5.907 10.933 ( 5.917 0.000 -4.072) 7.183 10.999 ( 3.891 0.000 -1.881) 4.321 12.434 ( -2.659 0.000 -1.112) 2.883 12.435 ( 0.408 0.000 -0.388) 0.563 12.648 ( -3.544 0.000 4.354) 5.614 12.903 ( 5.354 0.000 2.083) 5.745 18.832 ( -2.368 0.000 0.859) 2.519 18.924 ( -1.547 0.000 1.544) 2.186 19.102 ( 2.940 0.000 -2.086) 3.604 19.148 ( 0.327 0.000 -3.256) 3.272 19.267 ( 3.110 0.000 1.081) 3.293 19.388 ( 0.931 0.000 -1.277) 1.580 19.413 ( 0.554 0.000 4.085) 4.122 19.488 ( -0.231 0.000 0.244) 0.336 19.864 ( -0.924 0.000 -0.250) 0.957 19.937 ( -0.894 0.000 -0.967) 1.317 19.948 ( -1.245 0.000 2.367) 2.674 20.066 ( -0.587 0.000 -0.585) 0.828 20.412 ( 0.367 0.000 0.080) 0.376 20.415 ( -1.081 0.000 -0.539) 1.208 20.519 ( -0.815 0.000 0.400) 0.908 20.537 ( 0.122 0.000 0.633) 0.645 ======================= Grid point 51 (22/84) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -1.317 0.000 7.927) 8.036 0.914 ( -8.957 0.000 -9.013) 12.707 0.937 ( -8.403 0.000 -1.471) 8.530 1.024 ( -7.001 0.000 -0.330) 7.008 1.106 ( 1.489 0.000 1.868) 2.389 1.135 ( -4.592 0.000 -4.869) 6.692 1.300 ( -1.249 0.000 -4.192) 4.375 1.506 ( 0.906 0.000 1.858) 2.067 1.567 ( -0.369 0.000 1.478) 1.523 1.593 ( -1.221 0.000 -2.969) 3.210 1.665 ( -0.900 0.000 -0.483) 1.021 1.710 ( 2.159 0.000 4.596) 5.078 1.755 ( -0.612 0.000 -1.364) 1.495 1.763 ( 1.176 0.000 1.570) 1.961 1.905 ( -1.053 0.000 -0.673) 1.250 1.939 ( -4.666 0.000 0.835) 4.740 1.998 ( -3.600 0.000 2.606) 4.445 2.021 ( -1.755 0.000 -0.866) 1.957 2.068 ( -7.335 0.000 -2.617) 7.788 2.116 ( -2.802 0.000 -0.094) 2.803 2.142 ( -1.309 0.000 2.960) 3.237 2.178 ( -1.912 0.000 0.696) 2.035 2.209 ( -1.001 0.000 -0.272) 1.037 2.302 ( -2.040 0.000 0.734) 2.168 2.327 ( -9.157 0.000 -9.033) 12.862 2.345 ( 6.018 0.000 7.343) 9.494 2.413 ( -0.357 0.000 0.065) 0.363 2.431 ( -1.585 0.000 -2.441) 2.911 2.498 ( 7.572 0.000 -0.368) 7.581 2.559 ( -8.805 0.000 -5.492) 10.378 2.616 ( 4.631 0.000 3.644) 5.893 2.678 ( -2.475 0.000 -2.086) 3.237 2.812 ( -1.928 0.000 0.241) 1.943 2.830 ( 6.595 0.000 3.127) 7.299 2.875 ( 1.153 0.000 -0.713) 1.355 2.877 ( 0.188 0.000 -0.580) 0.610 2.925 ( -2.431 0.000 -4.635) 5.234 2.952 ( -2.278 0.000 -2.382) 3.296 3.078 ( -7.203 0.000 -0.331) 7.210 3.103 ( 0.831 0.000 -0.019) 0.831 3.142 ( -4.192 0.000 -4.451) 6.115 3.169 ( -2.208 0.000 2.766) 3.539 3.262 ( -2.800 0.000 -1.268) 3.074 3.392 ( -2.307 0.000 4.467) 5.028 3.438 ( -1.386 0.000 -2.761) 3.089 3.544 ( 1.058 0.000 1.192) 1.594 3.609 ( 0.163 0.000 2.578) 2.583 3.667 ( -2.127 0.000 3.615) 4.194 3.711 ( -2.063 0.000 0.037) 2.063 3.792 ( -1.113 0.000 2.788) 3.001 4.026 ( -0.224 0.000 2.528) 2.538 4.028 ( -4.512 0.000 6.435) 7.859 4.096 ( 0.563 0.000 -2.171) 2.242 4.178 ( 7.362 0.000 -0.115) 7.363 4.227 ( 1.665 0.000 1.587) 2.300 4.378 ( 8.351 0.000 -1.132) 8.427 4.465 ( -0.755 0.000 -5.598) 5.649 4.470 ( -0.758 0.000 -1.598) 1.769 4.539 ( 2.097 0.000 -0.527) 2.162 4.676 ( -2.110 0.000 -2.004) 2.910 4.723 ( 3.570 0.000 -0.277) 3.580 4.740 ( -0.214 0.000 -0.733) 0.763 4.945 ( 2.560 0.000 3.354) 4.219 4.963 ( 2.668 0.000 1.530) 3.076 4.968 ( 3.627 0.000 6.480) 7.426 5.011 ( 3.208 0.000 0.341) 3.226 5.152 ( -3.162 0.000 -7.523) 8.160 5.289 ( 0.916 0.000 -4.211) 4.310 5.513 ( -3.853 0.000 3.500) 5.205 5.527 ( -8.268 0.000 -0.383) 8.277 5.595 ( -3.653 0.000 -0.760) 3.731 5.791 ( -2.004 0.000 2.383) 3.114 5.856 ( 1.954 0.000 -2.625) 3.272 6.011 ( 3.444 0.000 -0.146) 3.447 6.448 ( -3.986 0.000 0.369) 4.003 6.451 ( -0.116 0.000 5.458) 5.460 6.552 ( -5.029 0.000 2.045) 5.429 6.768 ( -8.484 0.000 2.354) 8.805 6.899 ( 0.029 0.000 -3.168) 3.168 7.562 ( 1.481 0.000 -3.159) 3.489 8.374 ( -7.622 0.000 5.478) 9.386 8.561 ( -5.674 0.000 0.292) 5.681 8.680 ( 4.987 0.000 2.865) 5.751 8.745 ( -2.783 0.000 3.569) 4.526 9.116 ( -6.867 0.000 -3.141) 7.551 9.334 ( -2.514 0.000 -3.401) 4.229 9.400 ( -0.863 0.000 1.372) 1.621 9.515 ( 6.331 0.000 -1.985) 6.635 9.525 ( -1.214 0.000 -2.112) 2.437 9.655 ( 0.438 0.000 -10.007) 10.016 9.795 ( -3.625 0.000 -2.450) 4.376 9.947 ( 2.135 0.000 2.846) 3.558 10.009 ( -2.702 0.000 4.951) 5.641 10.062 ( 2.809 0.000 3.529) 4.511 10.147 ( -1.427 0.000 0.885) 1.679 10.284 ( 3.932 0.000 5.338) 6.630 10.772 ( -2.070 0.000 -0.645) 2.168 10.788 ( 5.208 0.000 0.111) 5.209 10.979 ( 6.601 0.000 -6.743) 9.436 11.086 ( 7.732 0.000 -0.222) 7.735 12.371 ( -3.120 0.000 -0.342) 3.139 12.435 ( -0.798 0.000 0.050) 0.800 12.614 ( -4.853 0.000 3.620) 6.054 13.027 ( 5.842 0.000 1.570) 6.050 18.800 ( -2.386 0.000 1.100) 2.627 18.911 ( -1.709 0.000 1.163) 2.067 19.094 ( -0.906 0.000 -0.948) 1.311 19.157 ( 4.634 0.000 -4.028) 6.141 19.359 ( 4.997 0.000 1.949) 5.364 19.396 ( 1.802 0.000 -1.335) 2.243 19.482 ( 2.650 0.000 2.783) 3.843 19.491 ( 0.550 0.000 -0.201) 0.585 19.842 ( -1.985 0.000 0.919) 2.187 19.914 ( -0.849 0.000 -0.080) 0.853 19.950 ( -1.970 0.000 3.014) 3.601 20.037 ( -1.600 0.000 -0.744) 1.764 20.380 ( -1.858 0.000 -0.840) 2.039 20.415 ( -0.243 0.000 0.069) 0.253 20.491 ( -2.445 0.000 -0.316) 2.466 20.536 ( -1.118 0.000 0.700) 1.320 ======================= Grid point 52 (23/84) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -15.491 0.000 -0.172) 15.492 0.591 ( -15.190 0.000 -6.222) 16.415 0.915 ( -3.620 0.000 -4.902) 6.094 0.930 ( 1.273 0.000 4.240) 4.427 1.029 ( -3.343 0.000 -0.538) 3.386 1.159 ( 1.093 0.000 2.197) 2.454 1.273 ( 0.509 0.000 -0.010) 0.509 1.417 ( -24.890 0.000 -3.252) 25.102 1.505 ( -4.097 0.000 -1.917) 4.524 1.547 ( -1.753 0.000 -0.609) 1.856 1.607 ( -4.487 0.000 0.314) 4.498 1.651 ( -0.799 0.000 -1.292) 1.519 1.773 ( -2.604 0.000 -2.285) 3.465 1.779 ( -3.366 0.000 1.857) 3.844 1.836 ( 2.685 0.000 3.928) 4.758 1.861 ( -6.160 0.000 1.850) 6.432 1.929 ( -4.482 0.000 -0.965) 4.585 1.946 ( -4.162 0.000 -0.179) 4.166 2.021 ( 1.113 0.000 1.469) 1.843 2.068 ( -2.381 0.000 1.068) 2.609 2.096 ( -5.221 0.000 -1.518) 5.437 2.106 ( -2.245 0.000 -1.679) 2.803 2.141 ( -1.940 0.000 1.054) 2.208 2.222 ( 1.968 0.000 0.620) 2.063 2.232 ( -3.039 0.000 -4.436) 5.377 2.368 ( -1.824 0.000 -2.259) 2.903 2.377 ( -0.555 0.000 -0.165) 0.579 2.501 ( 1.335 0.000 0.781) 1.547 2.544 ( 4.579 0.000 3.097) 5.528 2.620 ( -0.146 0.000 -1.005) 1.016 2.665 ( 9.771 0.000 -0.349) 9.777 2.719 ( 3.156 0.000 -0.861) 3.272 2.763 ( -2.238 0.000 -1.438) 2.660 2.846 ( -3.112 0.000 1.591) 3.495 2.860 ( -3.577 0.000 0.614) 3.629 2.873 ( 0.295 0.000 -1.215) 1.251 2.895 ( 2.387 0.000 -5.689) 6.170 2.954 ( -4.484 0.000 -1.905) 4.872 2.959 ( 3.084 0.000 2.916) 4.245 3.076 ( 2.604 0.000 -1.865) 3.202 3.095 ( -4.147 0.000 1.497) 4.408 3.185 ( 3.673 0.000 0.978) 3.801 3.219 ( -2.927 0.000 2.185) 3.653 3.380 ( -5.778 0.000 4.569) 7.367 3.402 ( -2.241 0.000 -0.080) 2.242 3.570 ( 0.652 0.000 0.085) 0.657 3.641 ( -3.683 0.000 5.612) 6.713 3.642 ( -3.245 0.000 1.778) 3.700 3.758 ( 3.208 0.000 3.846) 5.009 3.797 ( -1.257 0.000 1.275) 1.791 4.018 ( -7.393 0.000 5.082) 8.971 4.039 ( -1.709 0.000 1.912) 2.564 4.091 ( 0.007 0.000 1.350) 1.350 4.289 ( 7.337 0.000 0.219) 7.340 4.327 ( 3.485 0.000 2.892) 4.529 4.331 ( -2.009 0.000 -4.830) 5.231 4.381 ( 0.103 0.000 -5.388) 5.389 4.530 ( 5.632 0.000 -1.286) 5.776 4.554 ( -0.937 0.000 -0.642) 1.136 4.631 ( 0.995 0.000 -1.708) 1.977 4.731 ( 1.892 0.000 -0.849) 2.074 4.799 ( 3.906 0.000 0.690) 3.967 4.996 ( 1.403 0.000 0.694) 1.566 5.034 ( 1.373 0.000 -1.367) 1.938 5.036 ( 2.268 0.000 -6.066) 6.476 5.058 ( 0.697 0.000 3.073) 3.151 5.147 ( 4.393 0.000 5.815) 7.288 5.239 ( -0.008 0.000 -2.626) 2.626 5.333 ( -10.231 0.000 0.062) 10.232 5.500 ( -2.405 0.000 3.306) 4.088 5.570 ( -1.530 0.000 0.046) 1.531 5.763 ( -3.716 0.000 1.242) 3.918 5.848 ( 1.816 0.000 -3.603) 4.035 6.052 ( 2.106 0.000 -0.696) 2.218 6.382 ( -4.890 0.000 1.808) 5.214 6.449 ( -4.056 0.000 1.069) 4.195 6.520 ( -5.317 0.000 6.506) 8.402 6.628 ( -7.663 0.000 -0.458) 7.676 6.834 ( -1.721 0.000 -4.357) 4.685 7.520 ( -0.489 0.000 -4.872) 4.896 8.352 ( -3.685 0.000 6.410) 7.394 8.476 ( -3.918 0.000 -1.531) 4.206 8.724 ( -4.761 0.000 4.120) 6.296 8.808 ( 4.438 0.000 3.836) 5.866 9.005 ( -4.683 0.000 1.462) 4.906 9.267 ( -0.181 0.000 -2.651) 2.657 9.322 ( -6.318 0.000 0.005) 6.318 9.454 ( -1.699 0.000 -7.340) 7.534 9.613 ( 2.304 0.000 -1.339) 2.665 9.621 ( 8.937 0.000 -3.339) 9.540 9.709 ( -1.962 0.000 -2.882) 3.487 9.998 ( -0.006 0.000 3.234) 3.234 10.063 ( -2.363 0.000 13.515) 13.720 10.130 ( 1.356 0.000 2.064) 2.470 10.132 ( -0.825 0.000 0.593) 1.017 10.384 ( 1.611 0.000 1.857) 2.459 10.762 ( 0.252 0.000 0.957) 0.990 10.870 ( 3.967 0.000 0.137) 3.969 10.993 ( 5.771 0.000 -9.424) 11.051 11.258 ( 10.620 0.000 1.567) 10.735 12.323 ( -2.541 0.000 0.393) 2.571 12.376 ( -5.492 0.000 -1.003) 5.583 12.602 ( -1.267 0.000 3.363) 3.593 13.114 ( 5.215 0.000 -5.453) 7.545 18.789 ( -1.923 0.000 4.321) 4.730 18.896 ( -1.719 0.000 1.370) 2.198 19.069 ( -0.643 0.000 -0.784) 1.014 19.186 ( 3.804 0.000 -3.471) 5.149 19.416 ( 1.915 0.000 -0.871) 2.104 19.469 ( 5.096 0.000 1.231) 5.243 19.503 ( 1.439 0.000 -0.774) 1.634 19.562 ( 4.061 0.000 0.334) 4.075 19.818 ( -2.994 0.000 2.170) 3.697 19.908 ( -0.425 0.000 0.622) 0.754 19.957 ( -1.712 0.000 3.410) 3.816 20.000 ( -1.529 0.000 -0.658) 1.664 20.337 ( -1.762 0.000 -0.674) 1.887 20.403 ( -0.927 0.000 -0.321) 0.981 20.432 ( -3.283 0.000 -1.021) 3.438 20.516 ( -1.431 0.000 -0.657) 1.574 ======================= Grid point 53 (24/84) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.296 ( -14.708 0.000 4.585) 15.406 0.317 ( -16.437 0.000 5.389) 17.298 0.691 ( -32.531 0.000 8.447) 33.610 0.817 ( 0.293 0.000 -5.390) 5.398 0.988 ( -2.675 0.000 2.012) 3.348 1.149 ( -0.897 0.000 5.327) 5.402 1.191 ( 0.439 0.000 -1.863) 1.914 1.279 ( -2.959 0.000 2.602) 3.940 1.455 ( 0.499 0.000 0.499) 0.705 1.515 ( -1.767 0.000 -0.613) 1.870 1.583 ( -4.357 0.000 -0.384) 4.374 1.587 ( -0.328 0.000 -1.509) 1.544 1.679 ( -6.225 0.000 -3.902) 7.347 1.728 ( -1.862 0.000 1.071) 2.148 1.787 ( -2.547 0.000 4.284) 4.984 1.873 ( -2.800 0.000 -1.804) 3.330 1.909 ( 1.743 0.000 1.121) 2.073 1.912 ( 0.652 0.000 -0.454) 0.794 1.985 ( -1.257 0.000 -4.283) 4.464 2.058 ( -0.990 0.000 1.087) 1.470 2.075 ( -0.578 0.000 -0.325) 0.663 2.096 ( -2.805 0.000 -1.512) 3.187 2.121 ( -2.745 0.000 -1.855) 3.313 2.140 ( 1.759 0.000 6.741) 6.966 2.272 ( 3.054 0.000 -0.897) 3.183 2.346 ( -0.576 0.000 0.761) 0.954 2.398 ( -0.320 0.000 4.541) 4.552 2.485 ( -3.984 0.000 -4.056) 5.685 2.531 ( 2.499 0.000 -0.518) 2.552 2.688 ( 1.576 0.000 0.714) 1.730 2.704 ( -2.645 0.000 -1.146) 2.883 2.759 ( 5.597 0.000 -3.089) 6.393 2.767 ( 0.066 0.000 0.754) 0.756 2.800 ( -0.147 0.000 -1.321) 1.329 2.813 ( -0.544 0.000 -3.289) 3.334 2.861 ( -0.963 0.000 0.177) 0.979 2.889 ( 0.236 0.000 2.621) 2.632 2.977 ( 0.669 0.000 -4.342) 4.393 3.026 ( 4.013 0.000 2.297) 4.624 3.083 ( 1.193 0.000 -0.034) 1.193 3.100 ( 0.075 0.000 4.866) 4.867 3.253 ( 0.085 0.000 1.283) 1.286 3.257 ( 5.141 0.000 3.819) 6.404 3.331 ( -4.871 0.000 3.384) 5.932 3.356 ( -0.870 0.000 -0.896) 1.249 3.557 ( -7.518 0.000 -1.660) 7.699 3.583 ( -2.813 0.000 -3.616) 4.581 3.588 ( 1.855 0.000 4.391) 4.767 3.809 ( -7.747 0.000 2.684) 8.198 3.843 ( 3.627 0.000 2.474) 4.390 3.889 ( 0.189 0.000 -2.248) 2.256 3.998 ( -4.591 0.000 0.570) 4.626 4.178 ( 2.196 0.000 9.094) 9.355 4.328 ( 1.011 0.000 -1.686) 1.966 4.341 ( 3.922 0.000 0.368) 3.939 4.403 ( 2.411 0.000 0.137) 2.415 4.430 ( 2.902 0.000 3.979) 4.925 4.510 ( -1.659 0.000 -0.759) 1.824 4.549 ( 0.334 0.000 -1.960) 1.988 4.705 ( 8.219 0.000 0.747) 8.253 4.778 ( 2.882 0.000 0.241) 2.892 4.852 ( 2.358 0.000 -0.394) 2.391 4.998 ( 2.167 0.000 -3.522) 4.135 5.013 ( -0.131 0.000 -3.259) 3.262 5.029 ( 0.697 0.000 0.945) 1.174 5.122 ( 0.955 0.000 2.680) 2.845 5.131 ( -5.932 0.000 4.242) 7.293 5.207 ( -3.688 0.000 -2.473) 4.441 5.371 ( 6.034 0.000 4.948) 7.803 5.497 ( -0.648 0.000 -0.070) 0.651 5.500 ( -5.398 0.000 -5.402) 7.637 5.685 ( -2.658 0.000 -4.184) 4.957 5.865 ( 0.962 0.000 2.974) 3.126 6.076 ( 1.358 0.000 -0.286) 1.387 6.333 ( -4.052 0.000 3.369) 5.270 6.394 ( -4.397 0.000 3.027) 5.339 6.462 ( -7.245 0.000 4.142) 8.345 6.556 ( -1.032 0.000 1.559) 1.870 6.763 ( -0.544 0.000 -3.044) 3.092 7.442 ( 0.570 0.000 -7.774) 7.795 8.354 ( -2.848 0.000 1.385) 3.167 8.382 ( -1.673 0.000 -5.693) 5.933 8.693 ( -3.960 0.000 3.784) 5.477 8.888 ( 1.206 0.000 1.128) 1.651 8.971 ( -3.473 0.000 3.919) 5.237 9.267 ( 1.434 0.000 0.241) 1.455 9.273 ( -1.488 0.000 0.222) 1.504 9.343 ( -0.004 0.000 -1.977) 1.977 9.624 ( -0.811 0.000 1.023) 1.305 9.688 ( 0.864 0.000 -0.657) 1.085 9.726 ( 7.971 0.000 -4.506) 9.157 10.025 ( -1.659 0.000 3.516) 3.888 10.103 ( -0.549 0.000 -0.672) 0.868 10.164 ( 0.827 0.000 0.439) 0.936 10.383 ( 9.674 0.000 16.813) 19.398 10.386 ( -1.084 0.000 -1.072) 1.525 10.789 ( -0.037 0.000 1.246) 1.247 10.924 ( 2.032 0.000 -0.163) 2.039 10.991 ( 7.950 0.000 10.303) 13.014 11.449 ( 8.175 0.000 0.735) 8.208 12.256 ( -5.638 0.000 -0.876) 5.706 12.291 ( -1.719 0.000 0.380) 1.761 12.622 ( -0.730 0.000 1.819) 1.960 12.864 ( -16.142 0.000 -44.647) 47.475 18.871 ( 0.560 0.000 3.083) 3.133 18.937 ( 4.946 0.000 17.394) 18.083 19.054 ( -0.181 0.000 -0.560) 0.589 19.208 ( 3.021 0.000 -2.738) 4.077 19.436 ( 1.003 0.000 -0.288) 1.044 19.523 ( 2.136 0.000 -1.102) 2.403 19.555 ( 4.110 0.000 -0.142) 4.112 19.621 ( 3.039 0.000 -1.062) 3.219 19.781 ( -3.651 0.000 0.986) 3.782 19.868 ( -4.175 0.000 -9.324) 10.216 19.959 ( -2.112 0.000 1.424) 2.547 19.959 ( -1.995 0.000 -3.408) 3.949 20.311 ( -0.848 0.000 0.296) 0.898 20.372 ( -2.088 0.000 -0.045) 2.088 20.381 ( -0.865 0.000 -0.776) 1.162 20.431 ( -4.620 0.000 -7.299) 8.639 ======================= Grid point 54 (25/84) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -0.723 12.429 9.906) 15.910 0.479 ( 0.409 10.852 11.090) 15.522 0.794 ( 1.670 -1.079 -1.297) 2.374 0.908 ( 0.805 -2.830 -0.049) 2.942 1.046 ( 4.482 21.124 21.410) 30.409 1.051 ( -4.623 -0.174 -1.536) 4.875 1.175 ( -2.157 1.709 5.958) 6.563 1.235 ( -1.839 -2.367 1.137) 3.206 1.431 ( 0.359 -7.494 3.912) 8.461 1.469 ( 0.128 1.574 -2.963) 3.357 1.527 ( 2.267 -1.764 -2.092) 3.553 1.536 ( 0.490 -1.300 -3.333) 3.611 1.584 ( 1.140 -0.096 -0.956) 1.491 1.726 ( -0.783 -2.359 2.886) 3.809 1.739 ( -0.059 -4.166 1.946) 4.599 1.792 ( 0.209 -0.894 -2.678) 2.831 1.859 ( 0.217 -1.817 0.579) 1.919 1.945 ( -0.789 2.377 -2.557) 3.579 1.982 ( -0.621 1.394 -1.587) 2.202 2.006 ( 0.052 -0.494 -0.234) 0.549 2.034 ( -0.667 -0.595 -1.441) 1.695 2.120 ( 0.264 2.766 1.834) 3.329 2.201 ( -0.857 4.089 2.138) 4.694 2.277 ( 1.037 3.391 3.923) 5.288 2.328 ( 1.801 -0.398 -0.159) 1.851 2.368 ( -3.687 3.519 -2.479) 5.668 2.371 ( 0.439 1.748 2.291) 2.915 2.508 ( 2.820 0.699 1.294) 3.180 2.552 ( -1.696 0.555 -1.039) 2.065 2.619 ( 1.742 -0.766 0.406) 1.946 2.683 ( -1.092 -3.111 -2.720) 4.274 2.704 ( -0.790 -2.384 0.489) 2.559 2.722 ( -0.130 0.345 -0.749) 0.835 2.764 ( 1.436 -1.328 -0.694) 2.075 2.798 ( -0.212 -0.228 -2.753) 2.771 2.864 ( 1.719 -0.597 -0.675) 1.941 2.928 ( 0.345 1.553 -4.023) 4.326 2.984 ( 2.761 1.778 1.180) 3.490 3.023 ( 1.540 -2.216 -0.551) 2.755 3.126 ( -1.118 4.544 -1.773) 5.004 3.168 ( -1.802 1.573 1.028) 2.604 3.213 ( 0.326 -1.608 2.454) 2.952 3.239 ( -1.933 -0.771 -1.286) 2.447 3.272 ( -0.424 -1.244 0.629) 1.457 3.381 ( -1.769 -0.890 -5.362) 5.716 3.484 ( -0.207 -1.357 -5.688) 5.852 3.515 ( -3.064 3.381 -4.741) 6.580 3.591 ( -0.087 -5.032 1.342) 5.209 3.671 ( 2.144 -3.329 6.992) 8.036 3.852 ( -2.889 -4.665 -2.217) 5.918 3.885 ( -0.107 -0.912 -0.781) 1.206 3.934 ( -5.414 -11.903 7.501) 15.075 3.976 ( -2.192 1.036 0.991) 2.620 4.301 ( -1.282 0.391 -0.989) 1.666 4.335 ( 2.483 -5.618 -0.604) 6.172 4.397 ( -1.682 -4.594 1.355) 5.077 4.422 ( 0.949 -1.251 -2.781) 3.194 4.498 ( -0.564 -0.509 1.114) 1.349 4.607 ( 1.722 3.941 -0.052) 4.301 4.732 ( -2.379 -5.071 0.032) 5.602 4.795 ( 0.474 -2.252 0.581) 2.373 4.802 ( 0.003 -2.364 -3.589) 4.298 4.973 ( 2.415 -0.453 0.551) 2.518 5.001 ( -0.662 -0.471 -0.094) 0.817 5.094 ( -0.603 1.273 4.370) 4.592 5.111 ( -1.759 2.092 5.116) 5.800 5.190 ( 2.968 5.256 2.733) 6.626 5.295 ( 2.796 8.049 1.964) 8.744 5.389 ( -4.366 7.924 -1.885) 9.242 5.485 ( 0.052 2.981 -1.941) 3.558 5.588 ( 3.452 9.102 -0.609) 9.753 5.701 ( -1.258 4.738 -1.555) 5.142 5.937 ( 0.629 -1.471 1.693) 2.329 6.062 ( -0.385 -1.933 -0.943) 2.185 6.284 ( -2.106 -5.497 3.717) 6.962 6.361 ( -1.131 -3.688 2.882) 4.815 6.381 ( -1.700 -1.976 4.164) 4.912 6.490 ( -0.068 -5.291 1.286) 5.445 6.835 ( 2.522 6.503 -0.695) 7.010 7.321 ( 3.120 -4.410 -9.502) 10.930 8.313 ( 0.641 2.212 -7.794) 8.127 8.330 ( -1.754 5.039 -5.237) 7.476 8.625 ( -2.189 -4.993 2.956) 6.201 8.836 ( -1.780 -4.879 1.378) 5.373 9.053 ( -1.830 5.194 1.368) 5.674 9.197 ( 0.475 2.810 -3.410) 4.444 9.326 ( 0.172 0.102 3.486) 3.491 9.421 ( 2.177 -1.382 5.624) 6.187 9.636 ( 0.471 -0.293 0.712) 0.903 9.673 ( 0.612 -2.772 1.745) 3.332 9.709 ( 2.243 -0.343 -0.130) 2.273 9.851 ( -2.291 -3.169 -0.231) 3.917 10.021 ( -1.513 -1.593 2.965) 3.690 10.087 ( -1.745 -1.891 2.041) 3.284 10.247 ( -4.001 3.098 -2.755) 5.762 10.346 ( 0.006 -0.984 -2.177) 2.389 10.815 ( -0.043 1.753 1.102) 2.071 10.962 ( 0.353 -0.558 -2.078) 2.180 11.531 ( -1.912 2.358 -2.579) 3.983 11.579 ( -11.898 5.768 -9.578) 16.327 12.229 ( 1.286 1.316 0.712) 1.973 12.325 ( -0.920 3.229 -0.184) 3.363 12.484 ( 23.248 -2.320 2.902) 23.543 12.597 ( -2.166 -0.715 -0.850) 2.434 18.841 ( -2.247 -2.968 5.595) 6.720 18.882 ( -3.488 -2.156 4.409) 6.021 19.177 ( -0.586 2.619 -4.422) 5.173 19.235 ( 1.971 0.196 -1.775) 2.660 19.467 ( -0.511 1.537 0.633) 1.739 19.544 ( 2.359 0.171 -0.588) 2.438 19.593 ( -0.733 -0.514 -0.384) 0.974 19.606 ( -0.515 -1.218 0.449) 1.396 19.690 ( 1.232 1.838 -0.684) 2.316 19.850 ( -4.833 -0.941 -3.726) 6.174 19.905 ( 2.007 5.159 -7.759) 9.532 19.944 ( -0.886 1.218 -2.574) 2.983 20.334 ( -0.347 0.968 0.488) 1.138 20.362 ( 2.391 -0.433 1.149) 2.688 20.388 ( 0.086 0.322 0.710) 0.784 20.393 ( 1.960 0.680 0.488) 2.131 ======================= Grid point 55 (26/84) ======================= q-point: ( 0.11 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 1.849 5.330 4.662) 7.319 0.700 ( 7.442 5.303 10.936) 14.251 0.837 ( 1.554 -2.451 3.659) 4.670 0.914 ( 3.317 0.213 -0.366) 3.344 1.004 ( 1.245 -0.515 -0.993) 1.673 1.200 ( 0.197 4.057 1.538) 4.343 1.265 ( 2.055 -3.168 2.890) 4.755 1.343 ( 3.042 1.998 0.824) 3.732 1.452 ( 3.800 0.223 -1.360) 4.042 1.504 ( 1.447 -0.808 -1.841) 2.477 1.561 ( 5.155 -3.453 1.898) 6.489 1.648 ( 4.467 -4.682 2.378) 6.894 1.681 ( 9.182 6.518 8.361) 14.025 1.715 ( -2.106 -3.235 2.442) 4.568 1.789 ( 2.107 -2.268 1.352) 3.378 1.821 ( 6.724 2.491 3.915) 8.170 1.893 ( 2.397 -1.454 -0.866) 2.935 1.897 ( -0.085 1.144 -0.841) 1.423 1.957 ( -0.265 0.330 -0.484) 0.643 2.016 ( 0.870 -1.127 -0.499) 1.509 2.029 ( 1.309 -0.255 1.267) 1.839 2.150 ( 0.497 3.398 0.299) 3.447 2.181 ( -1.003 2.331 0.661) 2.622 2.311 ( -1.961 6.195 1.416) 6.651 2.341 ( 0.126 0.365 2.038) 2.075 2.357 ( 2.465 -0.598 -1.445) 2.919 2.405 ( -0.184 1.429 3.347) 3.644 2.487 ( -0.738 0.412 -0.506) 0.985 2.522 ( -4.147 2.470 -4.685) 6.726 2.621 ( 1.001 -1.052 -0.720) 1.621 2.640 ( 0.705 -2.148 -1.849) 2.920 2.679 ( -2.202 1.783 -4.373) 5.211 2.720 ( -1.045 -0.547 -0.699) 1.371 2.770 ( 1.427 1.379 -2.305) 3.041 2.810 ( 3.823 0.507 1.363) 4.090 2.852 ( 0.042 0.821 -3.623) 3.715 2.919 ( 4.273 -0.174 -1.693) 4.599 3.011 ( -1.359 0.309 -0.872) 1.644 3.038 ( 2.332 -0.949 -0.575) 2.583 3.109 ( 0.116 3.796 2.059) 4.320 3.134 ( -0.795 0.692 0.359) 1.114 3.206 ( -1.883 -1.267 0.990) 2.476 3.282 ( 1.339 -0.419 1.883) 2.349 3.296 ( 2.272 -2.793 0.610) 3.652 3.350 ( 3.372 0.583 -0.889) 3.536 3.408 ( 2.520 0.682 -7.372) 7.820 3.477 ( 1.450 0.936 -2.180) 2.781 3.610 ( 1.301 -3.725 -0.449) 3.971 3.696 ( -3.847 1.426 2.537) 4.824 3.784 ( -1.712 -3.151 -0.902) 3.698 3.852 ( -4.529 -1.302 0.720) 4.767 3.913 ( 0.255 -1.250 -2.698) 2.985 4.028 ( 3.017 -12.524 6.902) 14.615 4.281 ( 0.103 0.091 -0.359) 0.385 4.332 ( -2.404 -0.493 -0.601) 2.527 4.361 ( -2.084 -7.726 -1.728) 8.186 4.434 ( 3.499 -3.829 -0.091) 5.188 4.509 ( 1.611 -2.818 -1.113) 3.432 4.646 ( -1.427 3.369 3.195) 4.857 4.672 ( -0.747 -1.816 -1.494) 2.468 4.776 ( -1.094 -3.068 -1.534) 3.600 4.787 ( -1.980 -1.068 1.191) 2.546 4.962 ( -2.264 -1.488 -1.555) 3.124 5.013 ( 0.938 -3.242 -2.560) 4.236 5.101 ( -4.682 5.404 4.279) 8.333 5.116 ( -1.381 3.449 4.140) 5.563 5.233 ( -4.480 7.023 1.069) 8.399 5.320 ( -0.003 2.996 1.189) 3.223 5.392 ( 1.188 5.060 1.084) 5.310 5.453 ( 3.449 7.541 -1.023) 8.355 5.673 ( 3.650 9.336 0.893) 10.064 5.684 ( 2.075 3.607 -1.993) 4.613 5.949 ( -1.791 -2.272 2.081) 3.564 6.041 ( -0.669 -3.201 -0.827) 3.373 6.319 ( 1.069 -4.763 3.168) 5.820 6.378 ( -0.621 -5.252 1.538) 5.507 6.442 ( 1.617 -0.898 5.672) 5.966 6.538 ( 3.079 -3.786 2.295) 5.393 6.893 ( 4.134 5.084 -0.744) 6.595 7.275 ( 6.118 -3.872 -11.354) 13.466 8.222 ( 1.055 6.508 -6.289) 9.111 8.305 ( 5.869 2.761 -5.990) 8.829 8.649 ( 0.036 -5.225 3.753) 6.434 8.803 ( -1.587 -3.972 -1.047) 4.404 9.037 ( -0.992 4.391 1.834) 4.861 9.236 ( 5.199 4.443 -0.555) 6.862 9.366 ( -0.449 -0.816 4.318) 4.417 9.486 ( 1.122 1.092 0.935) 1.824 9.647 ( -1.152 -4.125 -1.511) 4.541 9.704 ( 2.820 -2.199 -2.862) 4.581 9.783 ( 1.613 -1.555 4.520) 5.045 9.836 ( -0.200 -2.532 4.175) 4.887 10.037 ( -0.932 0.639 4.258) 4.405 10.083 ( -1.697 -0.589 1.708) 2.478 10.157 ( -2.261 3.492 -2.795) 5.012 10.303 ( -1.103 -1.391 -5.000) 5.306 10.818 ( -1.447 1.284 1.866) 2.687 10.923 ( -1.665 0.251 -1.591) 2.317 11.340 ( -9.690 2.608 1.926) 10.218 11.403 ( -8.175 0.859 -1.148) 8.300 12.307 ( 1.110 2.974 -0.726) 3.256 12.330 ( 5.377 2.892 1.145) 6.212 12.528 ( -2.104 0.096 -3.348) 3.956 12.804 ( 12.757 -7.336 -5.181) 15.601 18.855 ( -4.112 -0.867 6.144) 7.444 18.883 ( -0.812 -1.126 2.678) 3.016 19.119 ( -0.144 4.280 -2.773) 5.102 19.251 ( 1.681 -0.146 -0.990) 1.957 19.450 ( -1.916 0.760 0.144) 2.066 19.515 ( -5.138 1.602 -1.609) 5.617 19.549 ( -2.397 -0.728 0.325) 2.526 19.632 ( -0.035 -2.352 0.833) 2.495 19.686 ( -0.171 0.052 -4.497) 4.501 19.767 ( 2.085 -1.179 0.100) 2.397 19.882 ( 2.758 2.767 -3.792) 5.445 19.949 ( 3.355 -0.017 -1.352) 3.617 20.347 ( 0.393 0.475 1.004) 1.178 20.391 ( 0.211 -0.755 0.493) 0.926 20.426 ( 2.565 0.812 0.702) 2.781 20.440 ( 3.325 0.710 -1.074) 3.566 ======================= Grid point 56 (27/84) ======================= q-point: ( 0.22 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -3.164 1.638 -3.411) 4.932 0.835 ( 1.681 -3.259 -3.162) 4.842 0.981 ( 4.723 -3.569 8.118) 10.047 1.035 ( 5.806 4.877 5.347) 9.278 1.102 ( 6.566 0.561 6.400) 9.187 1.241 ( 3.478 4.678 0.207) 5.832 1.333 ( 2.674 -0.534 0.586) 2.789 1.359 ( 2.174 -0.178 -1.088) 2.438 1.501 ( 1.758 -1.239 -1.242) 2.484 1.543 ( 6.056 0.625 -3.520) 7.032 1.649 ( 2.575 -5.193 2.036) 6.143 1.668 ( 0.725 -2.091 -0.823) 2.361 1.712 ( 1.419 0.139 -1.486) 2.059 1.818 ( 3.354 -1.308 1.785) 4.019 1.837 ( 2.323 0.744 1.656) 2.948 1.872 ( 1.942 -2.699 -2.788) 4.339 1.935 ( 0.577 -1.463 0.433) 1.631 1.941 ( -0.857 -0.749 0.261) 1.168 1.990 ( 1.251 -2.212 -1.585) 2.995 2.057 ( 1.489 -0.340 -1.234) 1.963 2.125 ( 0.472 -2.376 -2.067) 3.185 2.163 ( 2.834 3.932 4.357) 6.517 2.212 ( 0.610 3.245 2.295) 4.021 2.267 ( -3.613 3.184 -3.359) 5.872 2.298 ( -1.669 2.968 -0.570) 3.453 2.413 ( 3.349 -0.697 5.138) 6.173 2.436 ( 1.219 3.943 -1.424) 4.366 2.447 ( -3.665 0.507 -0.720) 3.770 2.539 ( 0.499 0.083 -2.185) 2.243 2.555 ( 0.525 -1.275 2.483) 2.840 2.637 ( 3.626 0.279 -0.180) 3.642 2.681 ( 1.376 3.124 1.167) 3.608 2.719 ( 1.708 -0.601 1.147) 2.144 2.749 ( 3.359 2.948 -3.917) 5.943 2.855 ( 4.586 1.791 -1.599) 5.176 2.874 ( 0.494 -0.109 -0.242) 0.561 2.963 ( 0.749 4.590 -0.682) 4.701 2.997 ( 4.258 0.973 -0.369) 4.383 3.043 ( -0.795 -1.689 -0.143) 1.872 3.131 ( 0.064 -1.545 -1.241) 1.983 3.186 ( 2.650 -1.754 5.060) 5.975 3.216 ( -0.470 2.876 0.850) 3.036 3.261 ( 1.727 0.150 0.593) 1.832 3.369 ( 4.145 -0.706 1.791) 4.570 3.418 ( 5.665 -3.428 -2.966) 7.255 3.451 ( 3.349 3.325 0.604) 4.758 3.518 ( 4.924 -0.305 0.990) 5.031 3.598 ( 0.185 0.906 -4.213) 4.313 3.672 ( -1.115 1.952 2.148) 3.109 3.780 ( 1.476 -4.937 -0.372) 5.166 3.789 ( -1.461 0.360 1.565) 2.171 3.909 ( 1.115 -0.045 -0.918) 1.445 4.138 ( 0.167 -8.888 4.467) 9.948 4.248 ( -5.061 -1.323 -1.211) 5.369 4.280 ( -1.293 -0.010 1.259) 1.804 4.354 ( 2.750 -9.128 -0.496) 9.546 4.505 ( 2.543 -2.987 1.859) 4.341 4.521 ( 2.204 -3.223 -2.553) 4.665 4.588 ( -5.273 -1.092 1.171) 5.511 4.687 ( -1.308 0.440 -0.002) 1.380 4.718 ( -3.221 -1.395 -1.777) 3.934 4.771 ( 0.159 1.474 0.494) 1.563 4.909 ( -2.302 -0.560 -0.272) 2.384 4.921 ( -4.498 -1.921 -4.108) 6.387 5.033 ( -6.455 2.588 0.530) 6.975 5.152 ( -4.874 7.310 2.659) 9.179 5.192 ( 1.848 -2.380 3.618) 4.708 5.285 ( -2.104 1.647 -1.198) 2.928 5.389 ( -1.918 0.260 0.341) 1.965 5.564 ( 5.982 6.074 -0.346) 8.533 5.694 ( 2.181 5.140 -0.851) 5.648 5.747 ( 3.171 8.951 0.263) 9.500 5.931 ( -2.253 -1.005 1.466) 2.870 6.016 ( -0.638 -2.776 -1.399) 3.173 6.363 ( -1.846 -5.013 1.609) 5.580 6.394 ( 2.591 -3.894 1.751) 4.994 6.555 ( 2.859 -0.533 5.908) 6.584 6.623 ( 3.802 -2.185 1.068) 4.513 6.932 ( 2.441 3.988 -2.693) 5.396 7.275 ( 9.091 -4.344 -10.529) 14.573 8.237 ( 6.487 7.587 -2.025) 10.186 8.390 ( 9.026 2.440 -1.676) 9.499 8.697 ( 0.129 -3.142 3.151) 4.452 8.784 ( -0.115 -0.245 1.467) 1.492 9.072 ( 3.154 1.870 0.528) 3.704 9.319 ( 3.952 2.616 -0.540) 4.770 9.411 ( -0.174 -1.178 3.144) 3.362 9.504 ( 2.079 2.236 -1.663) 3.477 9.583 ( -2.684 -3.912 -0.792) 4.810 9.691 ( 0.835 -3.096 -3.715) 4.908 9.820 ( -0.476 -2.799 1.234) 3.096 9.914 ( -0.419 -5.229 3.018) 6.052 10.046 ( -1.923 3.487 0.267) 3.991 10.100 ( 0.313 2.902 5.618) 6.331 10.120 ( -0.673 0.179 0.249) 0.740 10.193 ( -3.204 -0.444 -4.742) 5.740 10.810 ( -1.926 0.291 1.456) 2.432 10.877 ( -2.091 0.485 -0.648) 2.242 11.206 ( -10.075 -0.552 1.946) 10.276 11.262 ( -8.499 0.423 1.936) 8.727 12.331 ( 3.261 1.328 -0.687) 3.587 12.411 ( 1.764 0.008 -0.340) 1.796 12.493 ( 3.767 3.959 -2.565) 6.037 12.865 ( 3.335 -4.713 -5.622) 8.059 18.860 ( -2.746 0.175 4.629) 5.385 18.903 ( -0.916 -1.114 2.685) 3.047 19.098 ( 1.125 2.963 -2.782) 4.217 19.267 ( 1.338 -1.004 -0.922) 1.910 19.367 ( -5.441 0.404 -1.324) 5.614 19.451 ( -3.225 0.702 0.075) 3.301 19.467 ( -4.302 -0.761 -2.052) 4.827 19.563 ( -3.712 1.254 0.461) 3.945 19.731 ( 5.092 -2.260 -0.714) 5.617 19.826 ( 2.594 -2.054 1.434) 3.606 19.912 ( 3.653 2.966 -1.310) 4.884 20.001 ( 3.217 -0.261 0.001) 3.228 20.367 ( 0.900 -0.332 0.419) 1.047 20.392 ( 0.017 -0.813 -0.434) 0.922 20.472 ( 2.428 1.162 -0.220) 2.701 20.483 ( 3.103 1.145 -1.136) 3.497 ======================= Grid point 57 (28/84) ======================= q-point: ( 0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -2.087 3.703 -0.640) 4.299 0.806 ( 0.812 -7.251 -3.490) 8.088 1.111 ( 6.416 2.501 1.755) 7.106 1.215 ( 2.682 -4.779 4.552) 7.124 1.237 ( 2.871 1.092 3.079) 4.349 1.333 ( 5.594 4.076 -0.797) 6.967 1.356 ( 0.762 2.093 0.169) 2.234 1.424 ( 2.871 -2.299 2.035) 4.203 1.512 ( 1.259 -0.622 -3.100) 3.403 1.544 ( 3.614 0.443 -6.677) 7.605 1.653 ( -0.033 1.733 -0.606) 1.837 1.707 ( 0.891 -1.321 2.443) 2.917 1.762 ( 2.389 -2.724 1.667) 3.988 1.859 ( -0.717 -0.493 -2.403) 2.555 1.877 ( 1.813 0.342 0.355) 1.879 1.895 ( -1.272 -3.283 0.542) 3.563 1.925 ( 3.864 1.468 1.021) 4.258 1.937 ( 2.418 0.496 -1.108) 2.706 1.997 ( 0.382 -3.448 1.392) 3.738 2.006 ( -2.955 1.259 -2.109) 3.842 2.131 ( -2.092 -0.686 0.932) 2.391 2.194 ( 1.233 1.089 0.955) 1.902 2.216 ( 0.047 -1.447 -1.661) 2.204 2.247 ( -0.876 0.929 1.999) 2.372 2.291 ( 0.555 -1.229 0.136) 1.356 2.376 ( -0.848 3.778 -0.282) 3.882 2.395 ( -3.578 1.623 -2.146) 4.477 2.493 ( 0.440 -3.920 1.504) 4.222 2.512 ( 0.072 0.975 -3.832) 3.955 2.547 ( 1.519 0.669 0.658) 1.785 2.663 ( 1.514 -0.074 -1.589) 2.196 2.676 ( -1.763 -3.296 -1.249) 3.941 2.724 ( 1.421 2.577 -2.689) 3.987 2.840 ( 2.424 -0.690 0.209) 2.529 2.872 ( 0.875 -0.001 -1.899) 2.091 2.916 ( 3.102 2.012 -0.934) 3.813 2.995 ( 2.307 3.213 -1.021) 4.085 3.042 ( 1.263 -1.723 -0.287) 2.156 3.091 ( -0.311 -2.295 -1.255) 2.634 3.128 ( 3.889 7.427 3.243) 8.989 3.227 ( 1.891 0.170 3.064) 3.604 3.282 ( 1.704 5.595 -0.710) 5.892 3.390 ( 2.087 -0.930 -1.240) 2.599 3.473 ( 9.927 -2.563 7.170) 12.511 3.503 ( 3.401 1.773 0.952) 3.952 3.543 ( 5.888 -1.365 1.981) 6.361 3.561 ( 4.319 2.107 -1.164) 4.944 3.624 ( 4.644 1.322 3.355) 5.879 3.713 ( 2.244 0.908 1.836) 3.038 3.805 ( -0.320 2.211 0.952) 2.429 3.835 ( 4.814 -3.859 -0.808) 6.222 3.937 ( 1.543 0.915 2.377) 2.978 4.134 ( -4.982 -3.900 2.706) 6.881 4.173 ( -2.143 -0.676 0.597) 2.325 4.261 ( -2.814 0.289 1.260) 3.097 4.336 ( -4.093 -6.679 -6.062) 9.905 4.482 ( -5.499 2.153 -0.629) 5.939 4.508 ( -1.542 -3.262 -0.725) 3.680 4.561 ( -1.426 -3.143 0.915) 3.571 4.624 ( -1.803 1.507 -1.546) 2.813 4.650 ( -0.766 -2.241 -0.141) 2.372 4.801 ( 1.521 3.900 -1.253) 4.370 4.829 ( -0.594 -1.466 -0.790) 1.768 4.873 ( -4.801 2.140 0.349) 5.268 4.928 ( -3.726 -2.412 0.665) 4.488 5.077 ( -3.659 0.550 -1.065) 3.851 5.229 ( -0.285 -3.390 -1.431) 3.691 5.317 ( 0.702 -0.784 4.750) 4.865 5.348 ( -0.206 -5.325 0.761) 5.383 5.581 ( 0.773 -1.343 -5.370) 5.589 5.721 ( -2.371 1.650 2.227) 3.647 5.805 ( 4.644 6.593 -0.460) 8.078 5.934 ( 0.853 6.931 1.610) 7.167 5.992 ( 0.216 0.861 -1.715) 1.931 6.332 ( -3.680 -3.087 2.499) 5.415 6.466 ( 2.624 -3.612 1.598) 4.742 6.648 ( 2.361 -0.593 0.702) 2.534 6.701 ( 2.557 -1.134 3.656) 4.603 6.927 ( 1.163 4.635 -2.188) 5.256 7.331 ( 9.466 -5.237 -7.850) 13.366 8.372 ( 8.506 6.692 1.070) 10.875 8.543 ( 6.314 0.523 2.273) 6.731 8.727 ( 1.336 3.116 0.962) 3.524 8.830 ( -0.602 2.223 5.615) 6.069 9.143 ( 6.437 -1.422 -3.001) 7.243 9.333 ( -0.181 0.984 -1.816) 2.074 9.406 ( -1.726 -0.051 -0.813) 1.908 9.520 ( 1.655 -0.581 -0.695) 1.886 9.596 ( 3.270 -5.847 -0.253) 6.704 9.628 ( -4.488 -4.370 -3.182) 7.026 9.801 ( 2.723 1.222 -3.678) 4.736 9.892 ( -3.339 -1.720 2.691) 4.620 10.038 ( -0.722 1.520 -1.363) 2.165 10.108 ( 0.405 -0.278 -1.445) 1.526 10.122 ( -2.474 1.769 3.939) 4.977 10.183 ( -1.667 2.018 6.449) 6.960 10.766 ( -3.554 0.040 -1.197) 3.751 10.851 ( -0.527 1.055 0.683) 1.363 11.045 ( -8.145 -2.264 -0.743) 8.486 11.134 ( -8.519 -0.536 0.938) 8.588 12.398 ( 4.065 0.143 0.109) 4.069 12.432 ( 1.833 0.075 0.236) 1.849 12.559 ( 4.233 3.312 0.296) 5.383 12.827 ( -0.041 -2.822 -4.166) 5.032 18.865 ( -2.133 0.181 3.158) 3.815 18.913 ( -1.338 -1.049 2.354) 2.904 19.086 ( 1.951 1.941 -3.523) 4.471 19.256 ( 0.963 -1.778 -5.068) 5.456 19.283 ( -5.015 0.473 1.920) 5.391 19.349 ( -3.655 -0.981 0.513) 3.819 19.438 ( -1.123 2.351 0.284) 2.621 19.523 ( -1.954 0.881 0.588) 2.222 19.806 ( 3.356 -2.039 0.440) 3.951 19.879 ( 1.485 -1.924 1.386) 2.798 19.960 ( 2.273 2.561 0.142) 3.427 20.048 ( 1.768 -0.418 0.126) 1.821 20.384 ( 0.759 -0.935 -0.457) 1.288 20.393 ( 0.782 -0.949 -0.031) 1.230 20.508 ( 2.147 1.531 -0.389) 2.666 20.518 ( 2.287 1.477 -0.778) 2.832 ======================= Grid point 58 (29/84) ======================= q-point: ( 0.44 0.20 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 0.087 3.504 4.817) 5.957 0.805 ( 2.165 -8.836 -0.626) 9.119 1.194 ( -1.054 2.006 -3.343) 4.039 1.230 ( 0.009 -3.528 -1.634) 3.888 1.301 ( 2.928 0.259 -2.009) 3.561 1.331 ( -1.408 3.536 0.121) 3.808 1.388 ( 1.567 -3.851 0.798) 4.234 1.463 ( 3.999 3.135 -4.192) 6.587 1.495 ( 2.923 -0.403 -1.139) 3.163 1.577 ( 1.753 1.482 -0.678) 2.393 1.648 ( -0.059 0.969 -1.409) 1.712 1.740 ( -0.003 -2.211 -0.303) 2.232 1.787 ( -4.963 1.698 1.364) 5.420 1.846 ( 0.033 -0.073 4.603) 4.604 1.901 ( 0.853 -1.261 2.195) 2.671 1.912 ( -1.329 -1.510 -1.161) 2.322 1.928 ( 1.887 1.345 2.112) 3.135 1.954 ( 1.534 0.890 -1.232) 2.159 2.018 ( -0.438 -1.913 0.438) 2.011 2.048 ( 4.440 -1.555 3.115) 5.642 2.088 ( -3.965 -1.692 2.489) 4.978 2.189 ( 0.588 -2.068 -1.226) 2.475 2.219 ( -0.414 -0.295 -0.271) 0.576 2.265 ( 1.037 -1.460 0.473) 1.852 2.289 ( -1.783 -0.601 1.389) 2.338 2.348 ( -0.050 -0.625 1.214) 1.366 2.395 ( 1.519 3.244 -0.530) 3.621 2.438 ( -1.555 -3.623 -1.560) 4.240 2.507 ( -0.019 -3.877 -2.436) 4.579 2.576 ( 2.594 5.555 -2.858) 6.764 2.620 ( -1.233 0.658 -0.469) 1.474 2.678 ( 0.794 -2.237 -0.248) 2.387 2.749 ( 1.430 1.763 0.960) 2.465 2.867 ( 2.078 -2.278 -0.727) 3.168 2.870 ( 0.981 -2.110 -0.494) 2.379 2.937 ( 1.329 2.265 -1.060) 2.832 3.022 ( 0.898 3.372 -0.579) 3.538 3.045 ( -0.230 -5.470 -2.876) 6.184 3.072 ( 2.391 -1.120 0.947) 2.805 3.215 ( 0.302 8.454 -0.936) 8.511 3.237 ( -1.527 9.109 -0.282) 9.241 3.316 ( 2.033 1.869 1.181) 3.004 3.390 ( 1.605 0.876 -0.716) 1.963 3.517 ( 1.042 2.276 -3.982) 4.703 3.539 ( 1.721 -0.542 1.726) 2.496 3.639 ( 1.500 -2.481 0.157) 2.903 3.696 ( -0.953 -0.869 2.781) 3.066 3.740 ( 0.229 -0.967 1.402) 1.718 3.802 ( 3.421 -0.690 -2.703) 4.414 3.859 ( 1.470 -1.313 -5.162) 5.526 3.885 ( 1.341 4.523 4.307) 6.388 4.010 ( 0.627 -0.173 4.986) 5.028 4.075 ( -6.788 -1.850 -0.645) 7.065 4.102 ( -0.136 1.108 2.612) 2.841 4.208 ( 0.343 -0.319 0.824) 0.948 4.216 ( -1.868 -0.604 -0.246) 1.978 4.359 ( -4.634 2.669 -1.888) 5.671 4.479 ( -0.419 -2.347 -1.748) 2.956 4.550 ( -0.506 -2.318 3.450) 4.187 4.621 ( 1.845 3.147 -1.047) 3.796 4.669 ( -0.043 -0.897 0.653) 1.110 4.776 ( -1.053 -2.194 0.191) 2.441 4.794 ( -0.158 4.364 -1.068) 4.495 4.870 ( 0.837 -0.603 1.503) 1.823 4.895 ( -2.387 0.016 1.309) 2.722 5.014 ( -0.923 -3.078 -3.029) 4.416 5.221 ( 1.106 -5.213 -0.494) 5.352 5.281 ( -2.777 -5.109 0.108) 5.816 5.444 ( 0.405 -7.865 -0.640) 7.902 5.504 ( 1.390 -6.401 -3.863) 7.605 5.702 ( -1.947 -0.335 3.309) 3.854 5.863 ( 1.932 -2.340 -0.456) 3.068 5.970 ( 0.032 10.440 1.646) 10.569 5.993 ( 1.778 10.732 -1.123) 10.936 6.315 ( -2.784 -1.567 4.639) 5.633 6.509 ( 0.237 -2.433 1.143) 2.699 6.663 ( 0.432 0.641 -1.594) 1.772 6.778 ( 0.122 -2.054 4.344) 4.807 6.937 ( 0.865 5.156 0.860) 5.298 7.403 ( 7.414 -6.252 -5.005) 10.914 8.515 ( 5.481 4.730 1.311) 7.357 8.599 ( -2.998 0.719 2.297) 3.844 8.776 ( 2.580 6.370 -0.134) 6.874 8.848 ( -4.910 4.940 3.773) 7.922 9.229 ( 7.414 -3.592 -3.137) 8.816 9.311 ( 1.572 0.118 -3.044) 3.428 9.374 ( 0.953 -1.134 -1.571) 2.159 9.473 ( -4.929 -5.840 -3.874) 8.568 9.553 ( 1.156 -0.437 1.067) 1.632 9.655 ( 1.915 -5.245 0.937) 5.662 9.837 ( -1.299 -0.473 0.193) 1.396 9.874 ( 3.551 1.227 -1.605) 4.085 9.998 ( -0.944 0.480 -2.076) 2.330 10.084 ( -2.043 1.885 -0.513) 2.827 10.144 ( -2.043 2.898 5.638) 6.661 10.210 ( -2.790 2.175 4.968) 6.099 10.698 ( -1.470 1.195 -0.813) 2.062 10.867 ( 2.335 -1.072 -1.123) 2.804 10.938 ( -3.067 -3.082 -1.422) 4.575 10.999 ( -5.406 -1.028 -1.693) 5.757 12.437 ( 1.159 0.447 -0.698) 1.425 12.469 ( 0.634 0.362 0.230) 0.765 12.631 ( 1.219 1.452 3.231) 3.746 12.803 ( 1.776 -2.038 -0.776) 2.813 18.858 ( -2.135 0.192 1.807) 2.804 18.913 ( -1.562 -1.239 1.982) 2.811 19.088 ( 3.211 1.237 -3.528) 4.928 19.199 ( -0.212 -1.045 -4.760) 4.878 19.241 ( -1.278 1.094 1.676) 2.374 19.345 ( -0.837 -1.396 3.127) 3.525 19.426 ( -0.533 2.319 0.169) 2.385 19.504 ( -0.950 0.678 0.256) 1.194 19.847 ( 0.762 -1.675 0.239) 1.856 19.905 ( -0.139 -1.947 0.682) 2.068 19.987 ( 0.561 2.054 0.321) 2.154 20.065 ( 0.513 -0.506 -0.199) 0.747 20.390 ( 0.621 -0.898 -0.312) 1.136 20.405 ( 0.315 -1.382 -0.060) 1.418 20.536 ( 1.038 1.797 0.320) 2.100 20.544 ( 1.280 1.724 -0.001) 2.148 ======================= Grid point 59 (30/84) ======================= q-point: (-0.44 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 0.742 0.195 7.818) 7.856 0.855 ( 2.402 -8.688 0.993) 9.068 1.078 ( -3.483 -0.921 -5.161) 6.294 1.180 ( -2.986 -0.909 -3.875) 4.976 1.199 ( -6.617 2.479 -2.652) 7.548 1.337 ( -3.493 5.733 -0.746) 6.754 1.385 ( -0.659 -1.926 -3.361) 3.929 1.510 ( -1.248 1.537 -0.060) 1.981 1.529 ( 6.266 -0.661 -0.735) 6.344 1.569 ( -1.222 0.526 0.310) 1.366 1.619 ( 0.009 -1.993 -3.634) 4.145 1.713 ( 1.123 3.162 -0.387) 3.378 1.749 ( 0.100 -1.404 1.419) 1.999 1.826 ( -2.481 1.636 -3.336) 4.468 1.907 ( -0.798 0.325 0.097) 0.867 1.942 ( 0.490 -7.095 0.575) 7.135 1.977 ( -2.680 -1.472 1.417) 3.370 2.000 ( -0.083 0.307 1.856) 1.883 2.025 ( 3.231 -2.033 6.479) 7.520 2.071 ( -1.894 -2.266 3.867) 4.866 2.149 ( 1.900 -0.124 1.836) 2.645 2.170 ( -1.040 -2.556 -2.642) 3.820 2.224 ( 0.402 -0.999 1.026) 1.487 2.282 ( -0.904 0.118 2.064) 2.257 2.295 ( 0.206 0.309 3.774) 3.792 2.359 ( 0.358 0.407 -0.431) 0.692 2.400 ( 0.601 -2.367 -0.507) 2.494 2.441 ( 1.449 -0.611 0.180) 1.583 2.474 ( -0.220 -2.857 -2.977) 4.132 2.572 ( 1.418 3.766 0.805) 4.104 2.634 ( 2.307 -1.403 -1.191) 2.951 2.694 ( 0.727 -0.951 0.254) 1.223 2.778 ( 1.000 2.340 -0.741) 2.650 2.851 ( -1.231 -1.517 -0.824) 2.120 2.903 ( -0.726 1.615 -2.301) 2.903 2.924 ( 0.365 0.649 -1.290) 1.490 3.001 ( -1.717 0.844 -1.999) 2.767 3.050 ( 2.000 1.467 2.570) 3.572 3.126 ( -2.344 5.980 -2.219) 6.796 3.146 ( 0.769 0.411 2.066) 2.242 3.227 ( -1.788 3.337 0.925) 3.898 3.320 ( -3.094 4.316 -1.857) 5.626 3.408 ( -4.115 2.515 -3.462) 5.936 3.471 ( 0.436 -1.059 -3.068) 3.275 3.482 ( -10.840 -0.862 -6.188) 12.511 3.552 ( -4.451 0.028 -2.462) 5.087 3.645 ( -1.469 0.131 3.453) 3.754 3.657 ( -0.939 3.474 -1.406) 3.863 3.760 ( -2.747 -0.618 -1.184) 3.054 3.828 ( -1.232 -0.578 -2.532) 2.875 3.914 ( 0.838 -3.382 5.221) 6.277 4.032 ( -2.622 0.497 1.393) 3.011 4.057 ( -0.450 1.197 4.413) 4.594 4.139 ( 0.745 1.055 -1.144) 1.725 4.219 ( -1.198 -0.928 1.221) 1.947 4.284 ( 7.351 1.406 -2.378) 7.853 4.396 ( 3.690 -0.156 3.694) 5.223 4.464 ( 2.632 -1.039 -0.910) 2.973 4.608 ( 0.773 -3.749 2.169) 4.400 4.622 ( -0.892 4.980 0.464) 5.080 4.667 ( 1.394 -3.016 0.143) 3.326 4.802 ( 0.723 4.443 -2.149) 4.988 4.821 ( 2.237 -2.190 3.143) 4.437 4.859 ( -0.319 -0.619 2.290) 2.394 4.919 ( 0.834 -0.839 2.636) 2.889 4.987 ( 2.318 -0.312 -2.004) 3.080 5.217 ( -0.869 -4.776 -2.771) 5.590 5.263 ( 1.258 -4.163 -1.450) 4.584 5.314 ( -4.655 -10.297 -4.115) 12.027 5.565 ( 4.891 -7.950 -2.995) 9.803 5.732 ( -0.580 0.564 4.050) 4.130 5.861 ( -1.364 -2.766 -0.387) 3.108 5.965 ( -2.494 10.592 1.052) 10.933 6.010 ( 0.813 11.608 0.193) 11.638 6.351 ( -0.533 -1.794 5.684) 5.984 6.503 ( -2.187 -1.016 1.014) 2.616 6.629 ( -2.687 1.292 -0.708) 3.064 6.794 ( -3.863 -3.119 3.260) 5.940 6.965 ( 0.525 5.053 1.044) 5.186 7.460 ( 4.252 -7.139 -2.614) 8.710 8.531 ( -6.881 3.982 2.335) 8.286 8.582 ( 0.222 1.413 1.611) 2.154 8.762 ( -4.564 6.714 -0.421) 8.130 8.795 ( -1.171 5.227 0.870) 5.427 9.264 ( -3.599 -1.018 -4.372) 5.754 9.312 ( 2.920 -3.009 0.582) 4.233 9.369 ( 0.299 -2.181 -2.949) 3.681 9.404 ( 2.884 -4.428 -2.471) 5.833 9.585 ( -0.278 -0.124 0.399) 0.502 9.708 ( 4.349 -3.141 -1.578) 5.592 9.794 ( -2.382 -3.355 1.239) 4.297 9.903 ( -0.063 -0.119 -1.534) 1.540 9.972 ( 0.669 2.605 -0.629) 2.762 10.049 ( -0.564 2.012 -0.149) 2.095 10.185 ( -0.776 1.413 4.972) 5.227 10.217 ( -2.221 3.405 4.812) 6.299 10.720 ( 3.940 1.664 0.372) 4.293 10.842 ( -4.434 -1.067 -1.798) 4.903 10.902 ( 4.477 -2.512 -3.403) 6.159 10.978 ( 4.733 -2.086 -2.283) 5.654 12.440 ( -0.130 0.510 -0.310) 0.611 12.444 ( -2.198 0.756 -0.643) 2.412 12.662 ( -2.605 1.496 3.661) 4.736 12.870 ( 4.329 -2.983 1.825) 5.565 18.835 ( -2.304 0.361 0.933) 2.512 18.906 ( -1.720 -1.506 1.499) 2.734 19.114 ( 3.907 0.966 -2.861) 4.938 19.155 ( 0.860 0.490 -3.472) 3.610 19.272 ( 2.183 0.684 2.043) 3.067 19.375 ( 0.792 -1.116 1.721) 2.199 19.430 ( 0.313 1.504 1.303) 2.014 19.496 ( -0.069 0.477 -0.147) 0.504 19.844 ( -1.113 -1.545 0.299) 1.927 19.892 ( -1.504 -2.350 -0.047) 2.790 19.992 ( -0.584 2.106 0.785) 2.322 20.062 ( -0.525 -0.373 -0.449) 0.786 20.396 ( 0.062 -1.080 -0.013) 1.082 20.398 ( -0.574 -1.143 -0.367) 1.330 20.544 ( -0.819 1.921 0.502) 2.148 20.560 ( -0.096 1.657 0.636) 1.777 ======================= Grid point 60 (31/84) ======================= q-point: (-0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -0.593 -2.489 5.565) 6.125 0.840 ( -3.897 -5.355 -4.680) 8.110 0.963 ( -7.746 1.295 -1.736) 8.043 1.048 ( -4.879 1.440 1.410) 5.279 1.072 ( -3.563 1.967 -3.382) 5.291 1.233 ( -3.870 5.621 -2.848) 7.395 1.304 ( -1.962 0.157 -3.703) 4.194 1.502 ( -0.186 -0.555 0.851) 1.033 1.562 ( -1.070 -0.631 1.000) 1.595 1.576 ( -0.654 -1.811 -1.142) 2.238 1.640 ( 1.168 -1.726 0.830) 2.243 1.693 ( -0.939 -1.405 0.291) 1.715 1.764 ( -0.365 -0.509 -2.702) 2.774 1.804 ( 2.173 2.639 2.248) 4.091 1.897 ( -1.575 -0.437 0.904) 1.868 1.904 ( -2.924 -6.103 -0.260) 6.772 1.955 ( -1.879 -2.284 0.071) 2.959 1.980 ( -2.690 -0.927 0.372) 2.869 2.043 ( -4.022 -3.443 1.429) 5.484 2.097 ( -1.685 0.002 -1.825) 2.484 2.153 ( -2.679 -2.776 0.601) 3.904 2.189 ( -1.312 2.624 -0.038) 2.934 2.204 ( 0.105 -0.470 2.063) 2.118 2.272 ( 0.806 0.622 0.179) 1.034 2.295 ( -5.096 -2.383 -3.984) 6.893 2.369 ( -2.257 0.765 0.089) 2.385 2.443 ( 1.018 0.127 -0.856) 1.336 2.467 ( 5.434 0.942 2.602) 6.098 2.476 ( 2.566 3.255 3.466) 5.403 2.594 ( -7.680 2.025 -7.729) 11.083 2.635 ( -0.853 -0.342 -0.635) 1.117 2.656 ( 1.259 -0.002 0.038) 1.259 2.749 ( -1.153 -3.480 0.267) 3.676 2.800 ( 2.577 -2.323 -1.297) 3.704 2.877 ( -1.023 -2.406 -2.083) 3.343 2.892 ( 0.465 0.743 -1.271) 1.544 2.957 ( -1.835 6.902 -1.765) 7.356 3.042 ( -3.782 3.703 2.435) 5.826 3.076 ( -0.362 4.624 -0.658) 4.685 3.139 ( -3.371 0.006 -2.811) 4.389 3.157 ( -4.289 1.696 -4.554) 6.482 3.198 ( -5.429 3.088 1.920) 6.535 3.302 ( -1.577 1.671 3.138) 3.889 3.387 ( -3.673 -0.062 1.241) 3.878 3.441 ( -2.149 1.141 -1.413) 2.813 3.521 ( 2.926 -1.721 1.535) 3.725 3.642 ( -3.684 -1.541 2.179) 4.549 3.672 ( 2.453 3.061 0.305) 3.935 3.710 ( -1.768 -0.006 1.045) 2.054 3.805 ( -0.360 -0.577 1.347) 1.509 3.930 ( -4.025 -6.861 3.964) 8.888 4.011 ( -2.704 -0.398 3.051) 4.096 4.077 ( -1.194 0.198 0.541) 1.326 4.220 ( 4.925 1.119 2.423) 5.602 4.223 ( 1.400 0.654 1.440) 2.112 4.371 ( 1.233 -0.774 -2.125) 2.576 4.387 ( 1.474 -4.704 -2.932) 5.736 4.516 ( 1.108 -0.812 -0.342) 1.416 4.610 ( -0.418 -3.696 0.511) 3.754 4.615 ( 1.919 3.887 -3.394) 5.506 4.706 ( 0.792 1.965 -0.349) 2.147 4.791 ( 0.785 2.078 1.101) 2.479 4.900 ( 2.611 -2.312 3.623) 5.028 4.948 ( 4.292 0.589 3.585) 5.623 4.977 ( 2.767 -0.284 3.018) 4.104 5.028 ( 2.638 1.133 -1.252) 3.132 5.124 ( -3.104 -3.239 -5.883) 7.398 5.221 ( 1.835 -6.247 -1.761) 6.745 5.300 ( 1.979 -4.099 -2.763) 5.325 5.569 ( 0.796 -4.641 -4.664) 6.628 5.757 ( -1.749 2.504 3.413) 4.580 5.821 ( -2.842 3.920 0.715) 4.894 5.918 ( -2.992 7.640 -0.400) 8.215 6.027 ( 0.607 4.584 0.379) 4.640 6.397 ( -1.666 -3.182 3.264) 4.854 6.470 ( -3.079 -0.814 1.818) 3.667 6.563 ( -5.426 0.990 2.026) 5.876 6.714 ( -7.927 -3.970 0.844) 8.905 6.963 ( -0.724 5.572 -1.470) 5.808 7.480 ( 1.110 -7.185 -2.083) 7.562 8.451 ( -6.424 6.240 4.697) 10.112 8.559 ( -4.946 0.669 2.616) 5.635 8.732 ( 0.535 3.231 0.489) 3.312 8.780 ( -2.957 3.593 3.120) 5.602 9.116 ( -5.923 0.275 -2.811) 6.562 9.287 ( -1.470 -3.726 -4.474) 6.005 9.383 ( 0.406 -1.629 1.230) 2.082 9.458 ( 4.986 -4.063 -2.752) 6.996 9.552 ( -1.212 1.055 -1.614) 2.277 9.683 ( 1.108 2.173 -7.970) 8.335 9.780 ( -2.308 -1.741 0.561) 2.945 9.893 ( -0.756 -4.030 1.749) 4.458 9.994 ( 0.415 1.120 0.846) 1.463 10.072 ( 1.520 -0.537 2.118) 2.661 10.200 ( -1.660 3.476 3.312) 5.080 10.295 ( 2.066 0.770 6.160) 6.543 10.763 ( -1.144 -0.318 -0.905) 1.493 10.816 ( 4.683 1.510 -0.310) 4.930 10.955 ( 7.887 -1.324 -5.401) 9.650 11.077 ( 8.654 -1.102 -0.570) 8.742 12.391 ( -2.689 1.693 -0.051) 3.178 12.439 ( -0.712 0.333 0.270) 0.832 12.635 ( -4.371 2.124 2.895) 5.657 12.962 ( 3.570 -5.749 0.834) 6.818 18.805 ( -2.314 0.487 0.942) 2.546 18.890 ( -1.820 -1.714 1.156) 2.755 19.126 ( 0.484 2.431 -1.340) 2.818 19.161 ( 4.549 0.318 -4.005) 6.070 19.354 ( 4.007 -0.007 1.467) 4.267 19.409 ( 2.431 0.789 0.057) 2.556 19.473 ( 1.549 -0.397 2.245) 2.756 19.501 ( 1.493 0.395 -0.241) 1.563 19.826 ( -1.954 -1.313 1.561) 2.825 19.864 ( -1.846 -2.800 0.694) 3.425 19.988 ( -1.230 1.912 1.414) 2.678 20.037 ( -1.525 -0.095 -0.577) 1.634 20.372 ( -1.404 -0.508 -0.654) 1.630 20.398 ( -0.207 -1.191 -0.062) 1.210 20.517 ( -2.566 1.967 -0.108) 3.235 20.553 ( -1.500 1.240 0.628) 2.045 ======================= Grid point 61 (32/84) ======================= q-point: (-0.22 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -8.251 4.029 -3.934) 9.989 0.657 ( -11.860 5.341 -0.426) 13.014 0.839 ( -2.493 -3.034 -1.266) 4.126 1.010 ( -2.399 -0.088 2.053) 3.159 1.032 ( -1.954 3.526 1.393) 4.265 1.171 ( -0.774 1.381 -0.751) 1.752 1.266 ( -0.262 -0.999 0.037) 1.033 1.462 ( -10.153 1.303 -0.805) 10.268 1.491 ( -5.710 -1.642 -2.921) 6.621 1.549 ( -0.219 -1.217 -0.096) 1.240 1.622 ( -1.715 -2.152 0.094) 2.754 1.659 ( -9.948 3.751 -2.121) 10.841 1.723 ( -4.084 -2.949 -0.065) 5.038 1.766 ( -7.938 0.961 -1.022) 8.061 1.801 ( -4.270 -2.359 0.447) 4.899 1.877 ( -1.710 0.333 0.290) 1.766 1.921 ( -3.425 -1.240 0.021) 3.643 1.940 ( 0.587 0.743 0.765) 1.217 1.988 ( 0.533 -0.374 1.411) 1.554 2.035 ( -2.335 -2.559 -0.460) 3.495 2.075 ( -3.039 -1.886 1.253) 3.790 2.139 ( -0.551 1.707 -2.242) 2.872 2.158 ( -2.611 0.665 -1.260) 2.975 2.219 ( 1.165 1.535 -1.021) 2.181 2.299 ( -1.568 2.406 -0.018) 2.872 2.359 ( 1.112 -0.166 1.360) 1.765 2.403 ( -2.192 3.001 -2.485) 4.471 2.467 ( 1.473 -1.424 -0.178) 2.057 2.584 ( 2.900 2.367 2.570) 4.541 2.603 ( 0.364 -2.372 -1.369) 2.763 2.620 ( 6.014 -3.263 -0.925) 6.905 2.673 ( 2.852 -2.740 -0.839) 4.043 2.759 ( -0.264 -2.652 -0.536) 2.718 2.816 ( -2.340 -1.554 0.673) 2.889 2.859 ( 0.996 0.415 -2.783) 2.985 2.873 ( -4.329 2.930 0.191) 5.231 2.948 ( 4.620 -0.708 2.227) 5.177 2.977 ( -4.286 2.143 -2.374) 5.347 3.020 ( -0.783 1.456 -4.241) 4.552 3.059 ( -1.297 2.226 0.835) 2.708 3.120 ( 2.837 3.865 -0.925) 4.883 3.135 ( -4.178 2.962 1.953) 5.481 3.292 ( -3.692 0.596 -0.033) 3.740 3.334 ( -3.580 -1.861 3.983) 5.669 3.436 ( -2.557 1.748 1.897) 3.632 3.564 ( 0.177 -0.350 0.991) 1.066 3.634 ( -1.258 -1.878 2.782) 3.584 3.721 ( -1.131 4.489 4.365) 6.362 3.745 ( 2.551 -1.787 3.243) 4.496 3.801 ( -2.116 0.525 1.050) 2.420 3.901 ( -1.870 -12.927 -1.382) 13.135 3.970 ( -7.826 -4.777 4.684) 10.296 4.036 ( -4.625 1.286 1.817) 5.133 4.269 ( 0.947 1.148 0.014) 1.488 4.293 ( 1.717 -2.422 -3.077) 4.276 4.327 ( 4.251 0.506 2.736) 5.080 4.436 ( 1.468 -5.318 -0.771) 5.570 4.504 ( 0.322 2.383 -2.714) 3.626 4.601 ( -0.559 0.212 0.160) 0.619 4.654 ( 5.262 -1.555 -0.595) 5.519 4.715 ( 1.624 4.009 -1.462) 4.566 4.835 ( 1.217 1.105 2.506) 2.997 4.960 ( 0.881 -1.454 0.252) 1.719 4.989 ( 0.726 -1.935 -2.183) 3.007 5.031 ( -0.124 -0.852 0.681) 1.097 5.045 ( 1.057 -1.095 -2.054) 2.556 5.134 ( 5.208 0.137 2.924) 5.974 5.234 ( 2.661 0.169 -2.967) 3.989 5.311 ( 3.428 0.543 -1.657) 3.846 5.510 ( -2.437 0.503 -1.172) 2.750 5.753 ( -3.683 7.661 2.910) 8.985 5.777 ( -3.447 3.291 0.545) 4.797 5.870 ( 0.212 2.502 -2.349) 3.438 6.040 ( 0.919 0.531 -0.114) 1.067 6.362 ( -5.066 -2.602 2.424) 6.189 6.429 ( -3.614 -2.534 0.230) 4.419 6.507 ( -6.838 -1.005 5.476) 8.818 6.567 ( -7.177 -4.184 -1.332) 8.414 6.907 ( -2.130 6.362 -3.208) 7.437 7.449 ( -0.325 -6.446 -3.948) 7.566 8.428 ( -3.825 6.504 5.582) 9.386 8.494 ( -4.696 1.992 0.181) 5.104 8.708 ( -5.724 -1.762 3.463) 6.918 8.805 ( 1.142 -0.913 2.041) 2.511 9.036 ( -2.450 3.096 2.017) 4.434 9.240 ( 1.303 -1.984 -2.337) 3.331 9.337 ( -4.916 0.749 -0.242) 4.978 9.432 ( -0.950 -2.059 -6.644) 7.020 9.579 ( 4.882 -1.391 -1.680) 5.347 9.644 ( 3.269 0.694 -3.529) 4.860 9.725 ( -2.075 1.681 -2.025) 3.351 9.914 ( -1.621 -6.157 4.301) 7.684 9.996 ( -1.316 -1.171 1.631) 2.400 10.104 ( -0.822 -2.578 1.490) 3.089 10.247 ( 0.573 4.795 6.263) 7.908 10.379 ( 0.664 -0.615 2.469) 2.630 10.755 ( 1.143 0.283 -0.389) 1.240 10.890 ( 4.441 -1.274 -0.586) 4.657 11.058 ( 11.385 6.741 -3.626) 13.719 11.261 ( 11.462 0.086 1.641) 11.579 12.350 ( -2.567 2.429 -0.044) 3.534 12.395 ( -4.313 1.570 -0.631) 4.633 12.610 ( -1.891 0.892 2.808) 3.501 12.972 ( -1.221 -10.997 -5.604) 12.403 18.786 ( -2.055 0.126 2.731) 3.420 18.875 ( -1.705 -1.710 1.623) 2.910 19.126 ( 1.507 3.894 -1.038) 4.302 19.189 ( 3.708 0.253 -3.371) 5.017 19.410 ( 2.505 0.025 -0.785) 2.625 19.484 ( 4.370 0.848 0.951) 4.552 19.501 ( 1.523 0.008 -0.292) 1.551 19.560 ( 3.719 -0.277 0.438) 3.755 19.808 ( -2.953 -0.784 1.570) 3.436 19.856 ( -1.188 -3.021 2.827) 4.305 19.988 ( -0.871 1.395 1.726) 2.384 20.005 ( -1.158 0.369 -0.285) 1.248 20.340 ( -1.245 0.244 -0.574) 1.393 20.386 ( -0.781 -1.095 -0.509) 1.439 20.457 ( -3.509 1.803 -0.765) 4.019 20.521 ( -2.479 0.226 -0.685) 2.582 ======================= Grid point 62 (33/84) ======================= q-point: (-0.11 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( -8.023 12.552 3.532) 15.310 0.478 ( -9.033 12.953 4.805) 16.507 0.799 ( 0.535 -1.302 -2.559) 2.921 0.933 ( -8.224 -0.085 -0.978) 8.282 1.004 ( -9.222 15.654 3.209) 18.449 1.137 ( -5.301 -0.104 2.424) 5.830 1.164 ( -5.882 2.455 4.436) 7.765 1.273 ( -3.121 -1.517 2.229) 4.124 1.392 ( -2.211 -7.652 -0.028) 7.966 1.526 ( -2.152 1.586 -0.771) 2.782 1.545 ( -1.024 -0.993 -1.346) 1.961 1.582 ( -2.484 -1.164 -2.005) 3.397 1.641 ( -2.708 -3.646 -3.454) 5.706 1.711 ( -2.870 -2.432 3.461) 5.112 1.736 ( -2.445 -1.636 0.671) 3.018 1.840 ( -1.750 -2.332 -1.119) 3.123 1.869 ( -1.810 -0.628 -0.207) 1.927 1.971 ( 0.575 1.138 -0.163) 1.286 1.994 ( -0.654 -0.196 -0.367) 0.776 2.032 ( -0.660 -0.719 0.727) 1.216 2.059 ( 0.065 0.192 -2.559) 2.567 2.101 ( -0.421 1.338 0.911) 1.672 2.153 ( 0.093 1.547 3.660) 3.975 2.248 ( 1.329 6.925 0.181) 7.054 2.292 ( 0.886 0.010 0.450) 0.994 2.357 ( -0.363 1.558 0.346) 1.637 2.419 ( 1.116 2.775 4.132) 5.101 2.468 ( -0.554 -0.690 -4.209) 4.301 2.558 ( -0.352 1.109 -0.238) 1.187 2.625 ( 0.191 -4.206 -1.794) 4.577 2.700 ( 2.215 -0.480 0.189) 2.275 2.705 ( 2.303 -3.339 -3.026) 5.060 2.727 ( -0.336 -2.987 0.492) 3.046 2.782 ( -3.613 -1.530 1.241) 4.115 2.829 ( -0.640 0.737 -0.754) 1.233 2.853 ( 0.384 -0.506 -0.382) 0.741 2.935 ( 1.613 2.719 -0.421) 3.190 2.966 ( 0.258 -0.344 -3.919) 3.942 3.011 ( 0.054 -0.345 -1.531) 1.570 3.109 ( 2.374 -1.377 4.846) 5.569 3.141 ( 1.423 6.136 1.065) 6.389 3.171 ( 3.760 -1.312 0.653) 4.036 3.264 ( -0.881 0.864 2.103) 2.439 3.301 ( -4.222 -1.657 2.672) 5.264 3.419 ( 0.262 0.912 1.433) 1.719 3.570 ( 0.004 0.593 -1.419) 1.538 3.605 ( -5.086 -0.149 -0.449) 5.108 3.625 ( -6.112 3.995 -1.794) 7.519 3.693 ( -10.289 -7.826 -3.039) 13.280 3.855 ( 2.350 -4.753 2.254) 5.762 3.869 ( 2.750 -1.170 1.764) 3.470 3.943 ( -4.450 -9.610 6.442) 12.395 3.992 ( -3.079 0.078 1.709) 3.522 4.293 ( 1.922 -1.568 -0.103) 2.483 4.315 ( 2.366 -3.009 -1.186) 4.008 4.410 ( 2.511 -0.827 -0.156) 2.648 4.423 ( -2.504 -4.411 0.997) 5.169 4.495 ( -0.474 1.923 1.355) 2.399 4.596 ( 1.197 2.502 -1.815) 3.315 4.727 ( 1.637 -3.127 -0.563) 3.574 4.746 ( 3.988 -1.333 0.735) 4.269 4.854 ( 0.257 1.430 -2.308) 2.727 4.957 ( 1.378 -1.756 -1.903) 2.934 5.003 ( -0.349 -1.166 0.950) 1.543 5.034 ( 1.587 0.163 1.330) 2.077 5.068 ( -0.928 -0.398 3.493) 3.636 5.145 ( 0.951 2.305 -1.292) 2.808 5.291 ( 0.410 5.188 -1.859) 5.526 5.379 ( 3.957 3.915 4.509) 7.164 5.478 ( -0.119 3.303 -1.194) 3.514 5.656 ( -5.418 8.489 -3.283) 10.592 5.743 ( -2.625 3.530 0.984) 4.507 5.889 ( 3.102 -0.346 0.058) 3.122 6.061 ( 1.411 -0.741 -0.207) 1.607 6.306 ( -5.113 -4.308 3.526) 7.558 6.372 ( -3.470 -3.004 1.668) 4.883 6.414 ( -6.539 -2.546 2.254) 7.370 6.497 ( -2.571 -4.041 1.410) 4.993 6.840 ( -0.893 6.816 -2.415) 7.286 7.386 ( 0.701 -5.463 -6.754) 8.715 8.397 ( -2.512 1.983 -3.963) 5.094 8.417 ( -3.134 5.483 -0.202) 6.319 8.652 ( -4.859 -3.665 3.207) 6.879 8.832 ( -0.795 -3.962 2.307) 4.653 9.048 ( -0.868 5.097 2.758) 5.860 9.270 ( 1.653 0.926 0.890) 2.094 9.276 ( -1.961 -0.813 -0.998) 2.345 9.340 ( -0.070 -0.186 -1.196) 1.212 9.624 ( 0.499 -0.901 1.286) 1.648 9.672 ( 1.443 -2.556 -1.604) 3.345 9.690 ( 1.915 0.716 -2.898) 3.546 9.905 ( -4.462 -8.125 2.308) 9.552 10.004 ( -0.629 -1.865 2.694) 3.337 10.096 ( -1.685 -2.564 1.524) 3.426 10.315 ( -2.133 -0.015 3.618) 4.200 10.377 ( -1.349 -0.815 -0.595) 1.685 10.787 ( 1.973 1.496 0.573) 2.541 10.950 ( 3.479 -2.329 -1.598) 4.481 11.379 ( 26.729 14.468 6.501) 31.081 11.472 ( 9.302 2.017 1.021) 9.573 12.259 ( -4.908 1.003 -1.278) 5.170 12.341 ( -1.940 2.960 0.155) 3.542 12.618 ( -1.038 -0.478 1.402) 1.809 12.667 ( -18.474 -9.722 -20.034) 28.933 18.806 ( -1.739 -2.158 5.785) 6.415 18.876 ( -1.798 -2.026 3.726) 4.607 19.168 ( 4.685 3.478 -1.174) 5.951 19.211 ( 3.013 0.249 -2.398) 3.858 19.441 ( 1.855 0.974 -0.007) 2.095 19.519 ( 2.355 -0.286 -1.425) 2.767 19.564 ( 3.134 0.616 0.292) 3.207 19.612 ( 1.213 -0.787 0.373) 1.494 19.744 ( -4.666 -0.096 -1.151) 4.806 19.876 ( 0.167 -2.210 0.838) 2.370 19.984 ( -1.121 1.285 0.199) 1.717 20.004 ( 1.304 2.222 -3.085) 4.019 20.323 ( 0.075 0.533 0.119) 0.551 20.362 ( -0.939 -0.792 -0.814) 1.473 20.396 ( -2.283 1.160 -0.225) 2.570 20.432 ( -4.371 0.094 -3.739) 5.753 ======================= Grid point 63 (34/84) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -0.980 7.130 0.630) 7.224 0.721 ( -0.736 8.648 1.986) 8.903 0.784 ( -1.971 2.379 1.687) 3.520 0.924 ( 2.440 4.082 3.443) 5.871 0.974 ( 0.518 -4.853 3.745) 6.152 1.155 ( -1.608 -3.076 3.247) 4.753 1.187 ( -0.849 -1.585 1.735) 2.498 1.188 ( 2.545 -9.919 6.628) 12.198 1.435 ( -2.941 7.533 -1.163) 8.170 1.497 ( 1.468 -0.491 -3.492) 3.820 1.508 ( 0.856 -0.693 -3.799) 3.955 1.544 ( 0.888 -1.685 -1.306) 2.310 1.624 ( 1.105 5.402 2.520) 6.063 1.674 ( 0.116 0.828 3.056) 3.168 1.709 ( 0.398 1.072 1.550) 1.926 1.772 ( 0.773 -1.774 1.419) 2.399 1.867 ( 1.282 4.716 -0.628) 4.927 1.971 ( 0.126 -1.905 -1.025) 2.167 2.003 ( -1.436 0.795 -1.130) 1.993 2.016 ( -1.181 0.008 -2.208) 2.504 2.024 ( -0.493 2.968 1.354) 3.300 2.139 ( 0.701 -2.459 1.805) 3.130 2.218 ( -0.192 -0.093 4.142) 4.148 2.250 ( 0.058 -4.303 4.267) 6.060 2.382 ( -1.920 4.718 -3.242) 6.037 2.427 ( 0.028 2.477 2.060) 3.222 2.471 ( 0.214 -1.445 -1.385) 2.013 2.518 ( 1.533 -3.970 1.962) 4.686 2.534 ( 0.344 9.151 1.204) 9.236 2.631 ( 3.722 0.095 -2.610) 4.546 2.647 ( -2.522 -1.708 1.560) 3.423 2.709 ( -1.845 4.422 -1.005) 4.896 2.730 ( 0.306 0.819 0.834) 1.208 2.749 ( 5.385 -4.037 -2.015) 7.025 2.795 ( -3.033 1.261 0.069) 3.285 2.814 ( -1.005 -2.499 -0.165) 2.699 2.898 ( 1.757 -2.403 1.056) 3.159 2.972 ( 3.227 -5.113 1.297) 6.184 3.055 ( 1.511 3.666 1.432) 4.215 3.127 ( 1.304 -2.357 -1.370) 3.022 3.138 ( -1.753 -0.885 1.198) 2.300 3.186 ( -1.813 -0.757 -2.414) 3.113 3.296 ( -1.274 2.714 -0.159) 3.003 3.308 ( -0.747 1.751 -0.173) 1.911 3.361 ( 0.231 -0.288 -1.703) 1.742 3.415 ( 2.605 -1.293 -5.882) 6.561 3.505 ( -3.405 -0.771 -1.752) 3.906 3.566 ( -2.851 -2.754 -2.802) 4.854 3.683 ( 1.651 3.295 2.104) 4.244 3.738 ( -2.545 -3.330 0.207) 4.197 3.775 ( -2.567 -2.638 -0.214) 3.687 3.826 ( -1.050 -5.457 -1.026) 5.651 4.045 ( -1.437 6.397 -1.664) 6.764 4.194 ( 1.905 -7.376 -2.689) 8.079 4.326 ( 1.158 -0.020 0.307) 1.198 4.351 ( -2.050 0.555 2.053) 2.954 4.383 ( 0.290 -1.138 -1.406) 1.832 4.443 ( -2.345 -3.787 1.240) 4.623 4.651 ( 1.341 1.165 -3.759) 4.157 4.683 ( -1.186 -0.868 -0.456) 1.538 4.757 ( 1.274 -0.196 -1.597) 2.052 4.773 ( -0.167 -0.829 -0.625) 1.052 4.959 ( 0.279 -0.626 0.329) 0.760 4.971 ( -0.694 -1.610 -0.644) 1.867 5.121 ( 0.160 1.675 6.711) 6.918 5.142 ( -0.018 -0.012 7.641) 7.641 5.334 ( 2.932 6.664 0.995) 7.348 5.404 ( 3.224 0.658 1.390) 3.573 5.557 ( -4.464 7.207 1.266) 8.572 5.581 ( -0.143 4.920 0.184) 4.925 5.762 ( -1.560 1.357 0.243) 2.082 5.778 ( 1.496 4.343 0.304) 4.603 5.902 ( 1.479 2.687 0.234) 3.076 6.036 ( -0.834 -1.154 -2.282) 2.690 6.120 ( 0.399 -6.692 1.809) 6.943 6.212 ( -0.346 -9.322 -0.823) 9.365 6.380 ( -1.144 1.006 3.168) 3.515 6.414 ( -1.087 -2.358 3.179) 4.105 7.004 ( 2.012 9.417 -2.250) 9.889 7.190 ( 2.306 -8.190 -5.867) 10.336 8.372 ( 0.125 3.859 -4.990) 6.310 8.441 ( -1.462 0.607 -3.929) 4.236 8.555 ( -1.882 2.822 -0.331) 3.408 8.705 ( -1.828 -7.914 -0.701) 8.152 9.151 ( -1.560 4.618 1.924) 5.240 9.229 ( -0.036 -1.922 1.801) 2.634 9.336 ( 0.707 2.669 2.837) 3.959 9.394 ( 2.012 -2.064 5.070) 5.832 9.624 ( 1.704 0.367 -1.775) 2.488 9.642 ( 2.448 -0.865 -2.359) 3.508 9.732 ( 1.062 1.745 -0.555) 2.117 9.785 ( -0.045 -3.312 -1.018) 3.465 10.002 ( -0.777 0.473 3.573) 3.687 10.039 ( -1.533 -2.586 3.585) 4.679 10.290 ( -2.206 1.636 -1.593) 3.175 10.321 ( -1.046 -1.426 -1.805) 2.527 10.864 ( 0.270 2.819 0.541) 2.883 10.922 ( 0.534 -2.714 -0.336) 2.786 11.584 ( -3.415 2.492 -4.113) 5.898 11.620 ( -6.402 -0.639 -6.766) 9.337 12.269 ( 3.881 2.559 2.296) 5.185 12.324 ( 5.910 -2.472 3.166) 7.146 12.509 ( 2.761 3.356 -1.049) 4.470 12.569 ( -1.344 -2.162 -1.238) 2.830 18.822 ( -1.561 0.480 4.590) 4.872 18.845 ( -1.745 -1.617 3.803) 4.486 19.212 ( 1.699 1.214 -3.119) 3.753 19.231 ( 2.114 -0.594 -2.164) 3.083 19.509 ( 0.602 2.287 0.084) 2.366 19.545 ( 2.973 -0.677 -0.806) 3.154 19.578 ( -1.859 -0.635 0.299) 1.987 19.583 ( -1.637 -0.789 0.002) 1.817 19.738 ( -0.670 2.760 -0.840) 2.961 19.798 ( -2.087 -2.969 -1.418) 3.896 19.963 ( -1.242 0.778 -4.247) 4.493 19.965 ( -0.901 0.720 -5.409) 5.531 20.345 ( 0.292 0.349 1.065) 1.158 20.353 ( 1.382 -0.460 1.244) 1.916 20.398 ( 0.599 0.485 0.557) 0.951 20.402 ( 0.974 0.118 0.443) 1.077 ======================= Grid point 64 (35/84) ======================= q-point: ( 0.11 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -1.872 2.656 -0.696) 3.323 0.745 ( 1.061 -2.242 3.622) 4.389 0.892 ( 5.400 7.725 5.466) 10.896 0.973 ( 2.551 3.873 2.730) 5.381 1.039 ( 3.630 3.623 0.142) 5.130 1.167 ( 2.440 -5.505 1.035) 6.109 1.258 ( 2.811 1.948 5.122) 6.159 1.356 ( 4.295 -7.282 4.464) 9.560 1.390 ( 2.421 1.585 -1.730) 3.372 1.476 ( 1.809 -3.012 -3.556) 4.999 1.496 ( 2.908 -0.388 -2.812) 4.064 1.528 ( 0.769 -4.955 -2.144) 5.453 1.696 ( 1.700 1.227 2.758) 3.465 1.732 ( 1.961 -2.192 1.388) 3.253 1.768 ( 3.518 2.382 -1.185) 4.411 1.827 ( 3.106 -3.433 -2.085) 5.077 1.908 ( 1.196 2.847 0.856) 3.204 1.945 ( 0.992 -0.102 -0.688) 1.211 1.980 ( -1.349 1.889 0.442) 2.363 2.003 ( 0.453 -0.672 1.321) 1.550 2.098 ( 5.091 7.340 7.930) 11.946 2.191 ( 0.871 -0.776 2.612) 2.861 2.227 ( -2.313 2.294 0.337) 3.275 2.288 ( 0.210 -2.031 1.937) 2.814 2.356 ( 0.719 2.293 2.215) 3.268 2.419 ( 0.057 -1.445 0.634) 1.579 2.492 ( -0.632 2.454 3.466) 4.294 2.510 ( -3.552 4.833 1.633) 6.216 2.569 ( -0.508 -0.841 2.213) 2.421 2.603 ( -3.018 0.870 -1.060) 3.315 2.642 ( -0.588 4.525 -2.555) 5.230 2.677 ( 0.894 0.030 -2.340) 2.505 2.727 ( -2.132 -1.116 -0.788) 2.532 2.749 ( 2.879 -4.222 -1.098) 5.227 2.789 ( 1.991 0.952 -0.998) 2.422 2.859 ( 4.325 -5.432 -0.395) 6.955 2.948 ( 2.121 5.643 -0.625) 6.061 3.016 ( 2.302 -0.352 -0.553) 2.394 3.061 ( -0.253 2.230 -2.641) 3.465 3.114 ( 0.030 -3.343 0.845) 3.448 3.153 ( 1.580 1.255 3.212) 3.793 3.188 ( 0.148 -1.439 3.591) 3.871 3.280 ( -2.193 4.659 -2.849) 5.885 3.307 ( 3.228 2.519 -4.824) 6.327 3.365 ( 5.902 -1.454 -2.423) 6.544 3.421 ( -3.369 -3.904 -2.031) 5.542 3.446 ( 4.945 2.139 1.416) 5.571 3.551 ( 4.334 -3.430 -1.291) 5.676 3.689 ( 0.830 -3.398 -2.349) 4.213 3.721 ( -0.678 -1.456 -1.745) 2.371 3.754 ( -1.356 -2.668 1.221) 3.232 3.808 ( 1.911 -6.988 0.342) 7.252 3.988 ( -1.423 7.726 -2.092) 8.130 4.171 ( -1.211 -9.312 -2.243) 9.655 4.316 ( -1.451 1.773 -0.737) 2.407 4.340 ( -1.743 -0.338 -0.803) 1.949 4.383 ( 2.405 -0.093 0.052) 2.408 4.434 ( 0.013 -3.581 0.788) 3.667 4.623 ( -1.702 -1.154 -1.091) 2.328 4.649 ( -0.385 -2.960 -1.599) 3.386 4.766 ( 0.288 2.139 0.987) 2.373 4.784 ( -0.370 0.351 1.714) 1.788 4.931 ( -2.037 -0.987 -1.978) 3.006 4.946 ( -1.068 -2.503 -2.172) 3.482 5.173 ( -2.815 2.800 4.686) 6.142 5.198 ( -2.727 1.054 5.173) 5.942 5.394 ( 0.610 5.347 1.753) 5.660 5.445 ( -8.353 9.959 2.478) 13.232 5.446 ( -1.837 0.591 0.273) 1.949 5.571 ( -0.976 0.552 3.209) 3.399 5.738 ( -0.865 1.825 -0.335) 2.048 5.803 ( -0.227 -2.258 0.283) 2.287 5.959 ( 4.415 7.857 0.390) 9.021 6.026 ( 2.729 3.897 -2.557) 5.402 6.174 ( 3.085 -8.394 1.249) 9.030 6.216 ( 2.402 -9.617 -1.454) 10.018 6.441 ( 2.413 0.859 4.617) 5.280 6.474 ( 2.714 -2.369 3.970) 5.361 7.024 ( 3.545 7.262 -3.319) 8.736 7.168 ( 4.298 -6.430 -7.570) 10.823 8.349 ( 3.468 5.019 -3.968) 7.278 8.398 ( 2.133 3.552 -3.179) 5.222 8.559 ( 2.889 -0.446 -0.091) 2.924 8.679 ( 1.569 -7.800 -2.166) 8.246 9.146 ( -1.561 5.905 2.259) 6.512 9.261 ( 0.119 -4.383 2.688) 5.143 9.388 ( 1.091 5.093 2.957) 5.989 9.480 ( 0.965 -2.600 3.974) 4.846 9.616 ( -0.602 1.123 -1.682) 2.110 9.656 ( 1.981 -2.147 -3.241) 4.363 9.759 ( 2.661 -0.720 -0.574) 2.816 9.774 ( 0.599 -2.560 -0.375) 2.656 10.047 ( -0.158 0.762 5.516) 5.571 10.067 ( -0.981 -1.003 4.984) 5.178 10.219 ( -2.288 2.519 -3.666) 5.002 10.265 ( -1.620 -2.128 -4.304) 5.067 10.857 ( -1.814 2.337 0.974) 3.115 10.903 ( -1.809 -1.933 -0.440) 2.684 11.391 ( -10.693 1.931 -1.034) 10.915 11.412 ( -9.431 -0.143 -1.472) 9.546 12.372 ( 0.115 2.630 -1.124) 2.862 12.387 ( 3.012 1.597 0.751) 3.491 12.547 ( 2.794 2.601 -2.147) 4.379 12.650 ( 9.611 -6.963 -0.916) 11.904 18.849 ( -2.063 0.262 4.978) 5.395 18.862 ( -1.475 -0.933 3.760) 4.146 19.193 ( 0.809 2.880 -3.350) 4.492 19.237 ( 1.493 -1.372 -2.107) 2.924 19.477 ( -3.481 1.827 -0.667) 3.987 19.519 ( -4.140 -1.974 -1.133) 4.724 19.552 ( -2.486 1.617 -0.164) 2.970 19.585 ( 0.630 -1.806 0.585) 2.001 19.704 ( -1.194 1.448 -2.225) 2.911 19.737 ( -0.018 -1.642 -0.382) 1.686 19.925 ( 2.789 1.457 -3.122) 4.433 19.945 ( 3.058 -0.514 -2.125) 3.760 20.359 ( 0.025 0.709 0.766) 1.044 20.375 ( 0.033 -0.823 0.616) 1.028 20.442 ( 3.062 0.663 0.307) 3.148 20.449 ( 3.386 0.048 -0.315) 3.401 ======================= Grid point 65 (36/84) ======================= q-point: ( 0.22 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -3.119 4.118 -1.054) 5.273 0.745 ( -2.146 -6.025 -1.154) 6.499 1.005 ( 3.971 6.743 2.796) 8.310 1.111 ( 4.552 -0.681 1.771) 4.932 1.150 ( 5.673 4.796 6.060) 9.587 1.252 ( 4.606 -4.086 1.016) 6.240 1.363 ( 2.811 1.786 -3.486) 4.821 1.371 ( 3.485 3.145 3.955) 6.138 1.463 ( 1.745 -2.978 -1.426) 3.735 1.508 ( 2.380 -7.330 0.087) 7.707 1.553 ( 5.963 -0.304 -0.087) 5.971 1.572 ( 5.682 -2.712 1.531) 6.479 1.732 ( 2.380 1.617 -4.778) 5.578 1.768 ( 1.484 -1.440 -2.468) 3.220 1.809 ( 4.445 -1.612 1.922) 5.103 1.829 ( 1.892 -3.015 -0.607) 3.611 1.944 ( 0.566 2.407 1.687) 2.994 1.970 ( 0.013 1.773 0.889) 1.983 1.985 ( 1.527 0.567 0.713) 1.778 2.028 ( 0.636 -2.849 1.702) 3.379 2.137 ( -3.500 3.667 -2.427) 5.620 2.211 ( -2.195 -1.947 0.195) 2.940 2.243 ( 1.318 2.584 2.076) 3.567 2.304 ( -1.972 -1.540 1.884) 3.132 2.357 ( -5.330 4.118 -3.124) 7.425 2.407 ( -1.788 0.075 1.263) 2.190 2.472 ( -1.193 0.466 0.327) 1.322 2.506 ( -1.143 -2.282 -0.718) 2.652 2.537 ( -3.822 2.629 1.468) 4.866 2.560 ( 0.672 2.158 -1.225) 2.571 2.604 ( 0.690 -0.094 -0.896) 1.135 2.686 ( 0.468 -2.800 -2.891) 4.051 2.783 ( 4.004 2.108 1.977) 4.938 2.806 ( 1.743 0.972 0.104) 1.999 2.839 ( 6.100 4.197 4.829) 8.839 2.950 ( 0.256 0.473 0.300) 0.616 2.971 ( 6.645 0.088 -0.239) 6.650 3.044 ( 2.650 -0.801 -3.785) 4.689 3.050 ( 3.182 1.724 0.634) 3.674 3.100 ( 1.546 -3.104 -0.704) 3.538 3.164 ( -2.035 5.508 -1.849) 6.156 3.270 ( 3.017 0.709 3.460) 4.645 3.297 ( 2.975 -0.161 3.995) 4.983 3.307 ( 1.607 -6.449 -3.553) 7.536 3.361 ( 5.806 5.807 -0.323) 8.218 3.507 ( 4.188 -1.110 0.246) 4.339 3.554 ( 5.065 4.404 2.739) 7.249 3.620 ( 6.360 -1.884 -2.621) 7.133 3.701 ( 1.359 -0.439 1.697) 2.218 3.704 ( 0.275 -0.489 -3.147) 3.197 3.747 ( 2.871 -2.480 1.442) 4.059 3.858 ( -0.450 -7.729 2.877) 8.259 3.996 ( 4.200 2.706 -1.063) 5.108 4.131 ( 1.338 -8.400 -3.034) 9.031 4.279 ( -2.409 1.108 0.486) 2.696 4.300 ( -2.371 -0.315 0.876) 2.547 4.440 ( 2.605 -1.905 0.377) 3.249 4.454 ( 0.866 -2.218 1.724) 2.940 4.576 ( -2.670 0.181 -0.079) 2.677 4.620 ( -1.599 -3.937 -0.653) 4.299 4.753 ( -2.631 3.103 -1.885) 4.484 4.799 ( 0.322 0.367 0.834) 0.966 4.860 ( -3.716 -2.052 -2.122) 4.746 4.880 ( -2.080 -2.210 -1.230) 3.275 5.119 ( -6.277 4.481 0.050) 7.713 5.177 ( -3.813 -0.791 1.409) 4.141 5.303 ( -8.273 5.588 1.375) 10.078 5.373 ( -6.245 -0.499 1.754) 6.506 5.422 ( -3.057 9.165 2.766) 10.050 5.592 ( -1.996 -3.934 1.652) 4.710 5.720 ( -1.235 -0.497 -0.443) 1.404 5.783 ( -0.969 -4.677 -0.713) 4.830 6.046 ( 4.741 9.772 0.406) 10.869 6.068 ( 5.522 8.771 -2.454) 10.651 6.229 ( 1.949 -7.721 0.047) 7.964 6.266 ( 4.973 -8.595 -0.855) 9.967 6.552 ( 3.608 0.508 4.398) 5.711 6.578 ( 3.936 -1.950 2.949) 5.291 7.038 ( 3.173 6.102 -3.981) 7.947 7.165 ( 5.726 -6.079 -7.040) 10.922 8.400 ( 5.668 6.541 -0.811) 8.693 8.450 ( 5.404 2.065 0.279) 5.792 8.646 ( 6.311 -0.236 0.749) 6.360 8.723 ( 5.901 -5.287 -1.077) 7.996 9.156 ( 0.045 6.063 1.474) 6.239 9.294 ( 0.295 -6.446 2.132) 6.796 9.431 ( 0.244 4.650 1.567) 4.913 9.515 ( -0.270 -2.308 1.249) 2.638 9.556 ( -3.420 1.917 -1.979) 4.392 9.620 ( -1.969 -3.563 -2.473) 4.763 9.788 ( 3.144 -0.195 -1.840) 3.648 9.821 ( 3.603 -3.303 -0.170) 4.891 10.100 ( -1.001 1.785 2.300) 3.079 10.119 ( -0.761 -0.166 2.245) 2.376 10.145 ( -1.119 1.501 0.495) 1.936 10.174 ( -2.492 -1.316 -1.522) 3.203 10.830 ( -2.370 1.531 0.426) 2.853 10.864 ( -1.830 -1.545 -0.385) 2.426 11.220 ( -11.026 1.589 1.989) 11.316 11.252 ( -9.868 -1.242 1.974) 10.140 12.365 ( 2.007 1.830 -1.537) 3.121 12.397 ( 1.058 -1.213 -1.520) 2.214 12.605 ( 4.454 6.550 -1.414) 8.046 12.744 ( 4.046 -6.726 -2.723) 8.308 18.866 ( -2.158 0.512 4.154) 4.709 18.881 ( -1.477 -0.923 3.470) 3.883 19.167 ( 1.117 3.511 -3.920) 5.379 19.231 ( 1.282 -2.570 -3.045) 4.186 19.383 ( -5.255 1.130 -1.006) 5.468 19.414 ( -5.454 -1.966 -1.559) 6.004 19.512 ( -2.291 2.736 0.901) 3.680 19.560 ( -3.044 -1.597 0.953) 3.567 19.723 ( 3.769 1.577 -0.022) 4.086 19.774 ( 2.677 -2.852 0.930) 4.021 19.962 ( 3.337 1.895 -0.711) 3.902 19.990 ( 3.187 -0.905 -0.232) 3.321 20.366 ( 0.242 0.269 0.073) 0.370 20.376 ( -0.051 -0.709 -0.169) 0.731 20.494 ( 3.026 0.792 -0.529) 3.173 20.500 ( 3.262 0.323 -0.891) 3.396 ======================= Grid point 66 (37/84) ======================= q-point: ( 0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -1.982 4.719 0.942) 5.204 0.688 ( -2.064 -4.949 -1.313) 5.520 1.102 ( 3.129 1.377 2.572) 4.278 1.170 ( 1.472 -2.687 -0.912) 3.197 1.269 ( 3.069 1.576 1.319) 3.694 1.335 ( 2.330 -4.741 0.794) 5.342 1.384 ( 5.914 4.044 -2.423) 7.563 1.472 ( 2.437 -2.783 -1.727) 4.083 1.488 ( 2.331 4.293 2.348) 5.420 1.533 ( 2.386 -0.889 -2.941) 3.890 1.656 ( 3.299 -1.079 2.333) 4.182 1.678 ( 4.178 -0.441 1.193) 4.367 1.719 ( 2.337 -0.514 -3.492) 4.233 1.762 ( 4.041 -3.842 -3.882) 6.794 1.895 ( 2.246 0.935 2.629) 3.581 1.923 ( 4.137 -1.352 2.717) 5.131 1.963 ( -0.299 2.929 1.967) 3.541 1.970 ( -2.486 4.086 -0.167) 4.786 1.986 ( 1.070 1.389 -0.570) 1.844 2.045 ( -2.359 2.783 -0.782) 3.731 2.071 ( -0.228 -4.610 2.154) 5.093 2.143 ( -3.462 -4.748 -2.158) 6.260 2.219 ( -3.402 0.688 -0.786) 3.559 2.247 ( -3.007 -1.798 -0.720) 3.577 2.300 ( -1.634 3.556 1.596) 4.226 2.379 ( -2.713 -3.629 0.856) 4.611 2.430 ( -2.729 0.462 -1.916) 3.367 2.469 ( -1.627 -1.735 -0.992) 2.577 2.489 ( -1.541 3.900 -0.112) 4.195 2.563 ( 0.404 -2.318 -0.274) 2.369 2.637 ( 4.392 1.976 -0.922) 4.903 2.684 ( 2.606 -0.921 -2.522) 3.742 2.799 ( 0.485 3.385 -0.791) 3.510 2.836 ( 1.435 -0.267 -0.427) 1.521 2.872 ( -2.493 0.727 -3.893) 4.680 2.919 ( -1.033 -1.786 0.464) 2.115 3.019 ( 2.528 1.847 -3.613) 4.781 3.064 ( 1.124 3.402 -1.206) 3.780 3.084 ( -0.452 1.740 -1.761) 2.516 3.149 ( 3.597 -6.964 0.106) 7.839 3.317 ( 5.311 1.457 0.380) 5.520 3.332 ( 9.118 3.777 6.712) 11.936 3.381 ( 4.453 -0.077 4.442) 6.291 3.435 ( 4.543 -0.398 2.701) 5.300 3.509 ( 7.242 1.545 4.808) 8.829 3.550 ( 1.639 1.793 -0.781) 2.552 3.640 ( 6.185 2.400 -5.866) 8.855 3.703 ( 3.327 -1.572 1.236) 3.882 3.706 ( 2.610 4.363 2.811) 5.809 3.775 ( 2.988 0.624 1.834) 3.561 3.813 ( 2.906 -0.912 0.987) 3.202 3.912 ( 3.320 -7.314 1.905) 8.255 4.043 ( 1.572 0.762 0.980) 2.003 4.129 ( 0.564 -5.130 -2.780) 5.862 4.248 ( -1.621 0.510 -0.841) 1.896 4.272 ( -3.007 -0.551 1.272) 3.311 4.459 ( -1.318 -0.758 1.518) 2.149 4.489 ( -3.104 -2.693 4.185) 5.865 4.529 ( -1.557 1.547 -1.803) 2.841 4.580 ( -0.823 -3.376 -0.945) 3.601 4.669 ( -1.414 3.956 -1.268) 4.388 4.789 ( 0.583 -6.164 -0.616) 6.222 4.818 ( -0.586 0.943 0.236) 1.135 4.850 ( -1.967 -1.999 -0.326) 2.823 4.994 ( -5.731 7.620 -1.057) 9.593 5.107 ( -4.926 -1.064 -1.077) 5.153 5.189 ( -5.235 1.633 0.121) 5.485 5.265 ( -7.321 -3.780 0.271) 8.243 5.398 ( -3.109 6.341 2.891) 7.631 5.521 ( -5.422 -4.884 -2.327) 7.660 5.684 ( -1.466 -0.232 -0.433) 1.546 5.764 ( -0.269 -6.250 -1.043) 6.342 6.118 ( 2.747 8.243 0.773) 8.723 6.153 ( 6.254 10.788 -1.253) 12.532 6.251 ( 0.460 -4.845 0.668) 4.913 6.350 ( 4.817 -7.821 -0.082) 9.186 6.648 ( 2.834 0.716 1.807) 3.436 6.673 ( 3.066 -1.505 2.631) 4.311 7.048 ( 2.274 6.940 -2.022) 7.578 7.197 ( 5.541 -7.354 -4.388) 10.199 8.511 ( 6.146 5.358 1.135) 8.232 8.559 ( 3.984 0.191 2.731) 4.834 8.782 ( 7.838 2.994 0.848) 8.433 8.848 ( 7.528 -1.970 1.410) 7.909 9.169 ( 0.720 5.036 -1.043) 5.193 9.308 ( -0.975 -6.041 0.777) 6.169 9.414 ( -0.824 1.823 -4.361) 4.798 9.455 ( -2.665 -2.079 -5.050) 6.077 9.529 ( -0.977 -0.972 1.631) 2.135 9.555 ( -3.958 -3.265 3.513) 6.218 9.834 ( 4.657 1.807 -2.037) 5.395 9.864 ( 0.779 -1.140 0.243) 1.402 10.053 ( -0.279 0.607 -4.436) 4.486 10.079 ( 1.313 -1.818 -3.371) 4.049 10.180 ( -1.799 2.813 6.548) 7.350 10.211 ( -1.683 0.041 6.671) 6.880 10.782 ( -2.365 1.750 -1.272) 3.205 10.833 ( -1.143 -2.626 -0.794) 2.972 11.046 ( -10.296 2.260 0.800) 10.572 11.101 ( -9.615 -2.506 1.118) 9.999 12.408 ( 3.431 0.783 -0.045) 3.519 12.425 ( 2.650 -0.714 0.360) 2.768 12.648 ( 2.384 5.004 -0.972) 5.627 12.748 ( 0.920 -4.626 -2.500) 5.338 18.873 ( -2.049 0.608 2.987) 3.673 18.890 ( -1.783 -1.068 2.774) 3.466 19.139 ( 1.732 3.017 -4.806) 5.933 19.203 ( 1.270 -3.117 -5.343) 6.314 19.302 ( -4.276 1.189 1.623) 4.726 19.327 ( -3.713 -1.161 1.326) 4.110 19.490 ( -1.496 2.460 0.673) 2.956 19.527 ( -1.861 -0.866 0.580) 2.133 19.791 ( 2.840 0.821 0.969) 3.111 19.830 ( 1.973 -2.567 1.253) 3.472 20.005 ( 1.743 1.805 0.093) 2.511 20.033 ( 1.632 -1.013 0.103) 1.924 20.372 ( 0.564 -0.191 -0.288) 0.661 20.376 ( 0.450 -0.577 -0.209) 0.761 20.536 ( 2.496 0.951 -0.483) 2.715 20.541 ( 2.524 0.500 -0.640) 2.651 ======================= Grid point 67 (38/84) ======================= q-point: ( 0.44 0.40 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -1.157 3.542 2.461) 4.466 0.664 ( -0.118 -4.912 1.001) 5.014 1.135 ( -0.556 -1.649 -2.138) 2.756 1.168 ( 0.882 -3.976 -1.140) 4.229 1.315 ( 1.177 1.293 -0.365) 1.786 1.339 ( -0.888 -0.285 -0.252) 0.966 1.458 ( 3.595 3.798 -5.313) 7.455 1.489 ( 5.078 -0.017 -1.869) 5.411 1.519 ( 0.959 1.747 -1.288) 2.372 1.557 ( 2.073 -2.324 1.387) 3.409 1.675 ( -0.609 1.314 -2.408) 2.810 1.701 ( 1.111 -1.229 -2.669) 3.142 1.782 ( 3.090 -0.597 3.059) 4.388 1.827 ( 2.847 -1.924 -0.438) 3.464 1.877 ( -4.416 3.107 1.793) 5.689 1.936 ( -1.591 0.389 -2.432) 2.932 1.952 ( 0.058 -0.309 0.415) 0.521 1.997 ( -0.522 3.953 2.271) 4.588 2.027 ( -0.928 -4.332 1.541) 4.691 2.027 ( -1.078 1.830 0.149) 2.129 2.066 ( -0.300 1.279 3.806) 4.026 2.105 ( 0.767 -2.785 0.588) 2.948 2.183 ( -1.020 -2.676 0.605) 2.927 2.217 ( 2.007 -2.686 -0.516) 3.392 2.283 ( -0.716 0.274 0.874) 1.163 2.327 ( -3.384 -3.217 -3.290) 5.712 2.373 ( -0.699 0.983 1.419) 1.862 2.429 ( -0.633 -3.500 -1.438) 3.837 2.490 ( 0.345 4.623 -0.594) 4.674 2.571 ( 0.390 -3.303 0.250) 3.335 2.681 ( 1.061 3.615 -3.616) 5.222 2.700 ( 2.385 1.886 -0.200) 3.047 2.803 ( 0.954 2.425 0.099) 2.607 2.834 ( 1.248 -0.616 0.649) 1.536 2.848 ( 1.104 -0.957 -1.456) 2.063 2.884 ( -0.417 -4.790 -2.135) 5.261 3.051 ( 1.170 3.673 2.203) 4.440 3.065 ( 0.785 1.304 0.825) 1.732 3.088 ( 2.582 3.107 0.816) 4.122 3.223 ( 2.091 -7.487 3.988) 8.737 3.379 ( 0.605 6.490 -0.611) 6.547 3.419 ( -2.017 5.588 -1.589) 6.149 3.475 ( 1.210 3.927 -1.523) 4.382 3.531 ( 3.224 -1.645 0.598) 3.669 3.555 ( -2.057 2.143 -3.705) 4.749 3.584 ( 3.518 -0.588 2.024) 4.101 3.655 ( 2.134 -1.989 -3.959) 4.917 3.712 ( 0.909 -5.091 -5.567) 7.599 3.779 ( -0.536 1.266 -1.157) 1.797 3.819 ( 0.943 -1.863 -1.555) 2.603 3.967 ( 0.813 2.022 4.099) 4.643 3.991 ( 5.752 -1.160 7.873) 9.819 4.068 ( -0.637 1.271 0.681) 1.576 4.099 ( 0.486 -1.824 1.115) 2.193 4.202 ( -0.094 1.049 -1.073) 1.503 4.223 ( -3.054 0.068 0.027) 3.054 4.426 ( -4.156 2.960 2.401) 5.639 4.456 ( -2.780 0.153 2.594) 3.805 4.510 ( -1.033 -0.782 2.198) 2.552 4.581 ( 0.259 -5.402 -0.670) 5.449 4.717 ( 4.590 4.265 1.455) 6.433 4.756 ( -3.251 1.790 -1.227) 3.909 4.813 ( -0.795 -2.580 -0.054) 2.700 4.841 ( 3.521 -2.641 0.047) 4.402 4.946 ( -0.883 4.916 0.693) 5.043 5.001 ( -3.236 1.734 -2.160) 4.260 5.121 ( -1.547 -4.427 -1.789) 5.019 5.161 ( -4.624 -6.193 0.321) 7.735 5.375 ( -3.934 -0.633 -3.696) 5.435 5.390 ( -0.625 -2.820 -1.878) 3.445 5.683 ( 0.323 0.535 1.964) 2.061 5.755 ( 0.363 -5.786 -0.223) 5.802 6.163 ( 0.736 7.314 1.598) 7.523 6.230 ( 3.147 9.707 0.046) 10.205 6.271 ( -0.172 -2.136 2.192) 3.066 6.415 ( 1.953 -6.799 0.815) 7.120 6.690 ( 0.327 1.968 0.541) 2.067 6.735 ( 0.292 -2.188 2.375) 3.242 7.070 ( 1.380 7.802 0.410) 7.934 7.244 ( 4.011 -8.717 -2.008) 9.803 8.605 ( 2.106 3.082 1.465) 4.010 8.623 ( -0.171 0.931 2.031) 2.241 8.904 ( 4.531 5.876 -0.078) 7.420 8.959 ( 0.947 2.877 1.202) 3.258 9.174 ( 3.506 0.536 -1.893) 4.021 9.287 ( -2.214 -6.514 0.232) 6.884 9.335 ( 0.782 -0.904 -6.688) 6.794 9.356 ( -0.182 -1.797 -4.176) 4.550 9.538 ( -1.866 -0.141 4.340) 4.727 9.570 ( -0.719 -3.186 3.629) 4.882 9.841 ( -1.512 1.692 -1.126) 2.533 9.884 ( 2.314 -1.629 -2.227) 3.601 10.026 ( 2.608 3.008 -3.036) 5.007 10.086 ( 2.289 -1.925 -2.737) 4.054 10.211 ( -3.514 2.971 6.297) 7.800 10.242 ( -2.877 0.264 5.698) 6.388 10.738 ( -0.284 2.786 -1.030) 2.984 10.810 ( 0.200 -3.990 -1.051) 4.130 10.918 ( -3.607 1.224 -1.337) 4.037 10.961 ( -5.741 -2.418 -1.444) 6.394 12.451 ( 1.079 0.850 0.012) 1.374 12.467 ( 0.671 -0.567 0.498) 1.010 12.680 ( 1.316 3.127 1.254) 3.617 12.747 ( 1.443 -3.255 -0.060) 3.561 18.866 ( -2.054 0.688 1.926) 2.898 18.886 ( -1.887 -1.255 2.017) 3.034 19.122 ( 2.961 1.998 -4.516) 5.758 19.165 ( 1.992 -2.081 -5.127) 5.881 19.275 ( -1.992 1.932 2.913) 4.023 19.313 ( -1.452 -1.739 3.147) 3.878 19.475 ( -0.821 2.240 0.109) 2.388 19.507 ( -0.898 -0.691 -0.020) 1.133 19.830 ( 0.445 0.395 0.570) 0.824 19.860 ( 0.027 -2.167 0.510) 2.226 20.024 ( 0.478 1.545 0.120) 1.622 20.050 ( 0.469 -1.005 -0.074) 1.112 20.378 ( 0.434 -0.221 -0.204) 0.528 20.383 ( 0.304 -0.705 -0.115) 0.777 20.568 ( 1.206 0.999 0.305) 1.596 20.571 ( 1.290 0.677 0.171) 1.467 ======================= Grid point 68 (39/84) ======================= q-point: (-0.44 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -0.015 1.837 3.690) 4.122 0.695 ( 0.975 -6.462 1.806) 6.780 1.080 ( -1.444 2.313 -2.701) 3.838 1.148 ( -0.629 -2.925 -3.167) 4.357 1.276 ( -4.238 3.930 -1.579) 5.992 1.334 ( -0.489 -1.893 0.099) 1.957 1.444 ( -0.311 2.838 -3.660) 4.641 1.497 ( -0.047 -2.715 -2.628) 3.779 1.524 ( -0.280 1.549 0.777) 1.756 1.563 ( -0.758 -1.991 -1.009) 2.358 1.639 ( -1.432 3.718 -0.842) 4.073 1.699 ( -0.695 -1.984 -0.102) 2.105 1.773 ( -1.560 -1.485 -4.176) 4.698 1.797 ( 0.536 -0.755 -4.105) 4.208 1.860 ( -1.676 -0.370 0.789) 1.889 1.899 ( 0.426 0.085 -0.869) 0.972 1.972 ( -2.102 1.692 0.421) 2.731 1.990 ( -1.590 -0.999 0.241) 1.893 2.009 ( 2.228 -1.156 1.101) 2.741 2.043 ( 0.536 -4.037 0.275) 4.081 2.104 ( -0.798 1.550 4.144) 4.496 2.153 ( -0.134 -1.117 -1.433) 1.821 2.193 ( 1.900 -1.102 4.527) 5.032 2.233 ( -1.036 -3.829 -0.780) 4.043 2.294 ( 2.414 2.228 3.130) 4.538 2.366 ( 3.938 -3.200 4.711) 6.924 2.382 ( 1.441 0.743 -0.273) 1.644 2.408 ( 1.172 -1.579 -1.948) 2.768 2.480 ( -0.968 4.086 0.199) 4.204 2.569 ( -0.904 -4.082 -0.089) 4.182 2.656 ( 0.573 4.316 -1.886) 4.745 2.713 ( 0.635 -0.095 -1.088) 1.263 2.824 ( 0.324 0.709 -0.039) 0.780 2.836 ( -0.126 -0.186 -1.645) 1.660 2.877 ( 0.791 -0.667 -0.016) 1.035 2.902 ( 2.249 -1.239 1.051) 2.774 3.094 ( -0.235 3.884 2.808) 4.799 3.114 ( 1.407 2.713 3.128) 4.373 3.165 ( 1.789 3.961 2.517) 5.023 3.262 ( -5.617 5.432 -5.663) 9.651 3.283 ( -2.334 -3.055 1.992) 4.330 3.330 ( -4.202 1.108 -4.197) 6.041 3.402 ( -6.817 -2.187 -3.616) 8.021 3.435 ( -5.335 -2.197 -3.706) 6.857 3.513 ( -2.611 3.851 -2.893) 5.479 3.566 ( 0.228 0.386 -2.670) 2.707 3.633 ( -0.506 -0.538 1.011) 1.252 3.685 ( -0.528 -5.828 -4.563) 7.421 3.746 ( -1.192 1.942 -0.926) 2.459 3.770 ( -2.869 0.166 -0.836) 2.993 3.967 ( -5.329 5.101 5.131) 8.986 4.050 ( -4.672 -0.563 3.659) 5.961 4.106 ( 1.826 2.570 3.154) 4.459 4.149 ( -0.774 -2.867 2.995) 4.217 4.173 ( 1.552 1.381 -2.418) 3.188 4.252 ( 4.925 -4.211 -3.011) 7.145 4.413 ( -2.496 2.532 0.887) 3.664 4.471 ( -0.727 -0.607 4.629) 4.725 4.532 ( 0.773 -1.310 0.695) 1.672 4.585 ( 2.215 -4.088 0.908) 4.738 4.710 ( -0.092 3.983 2.914) 4.936 4.803 ( 0.168 -4.350 1.671) 4.663 4.868 ( 0.001 1.227 2.224) 2.540 4.880 ( 4.556 4.558 1.389) 6.593 4.919 ( 0.388 3.447 -0.155) 3.472 5.000 ( 3.771 0.450 -1.763) 4.187 5.078 ( -1.245 -5.779 -2.596) 6.457 5.133 ( 3.061 -7.010 -2.248) 7.973 5.276 ( 0.751 3.500 -5.292) 6.389 5.394 ( 3.832 -7.605 -4.351) 9.563 5.726 ( 0.866 0.203 2.683) 2.826 5.771 ( 0.972 -4.166 0.660) 4.329 6.174 ( -2.076 8.379 1.787) 8.815 6.254 ( -1.240 10.855 0.648) 10.945 6.296 ( -0.738 -3.884 3.494) 5.276 6.431 ( -1.539 -6.207 1.287) 6.524 6.668 ( -3.506 2.542 0.460) 4.355 6.729 ( -4.003 -3.201 1.662) 5.389 7.101 ( 0.863 8.171 1.099) 8.289 7.285 ( 2.275 -9.385 -0.455) 9.668 8.602 ( -3.877 2.487 1.958) 5.005 8.618 ( -2.852 1.057 1.947) 3.612 8.903 ( -5.174 5.668 -0.863) 7.723 8.916 ( -2.265 4.680 -0.829) 5.265 9.236 ( -3.693 -1.802 -0.245) 4.117 9.247 ( 3.714 -2.683 -0.632) 4.625 9.305 ( 2.491 -1.930 -5.515) 6.351 9.327 ( 3.642 -3.145 -4.692) 6.721 9.567 ( -0.908 0.302 4.332) 4.437 9.620 ( 0.608 -4.559 4.678) 6.560 9.805 ( 0.743 3.052 -3.130) 4.434 9.869 ( 0.141 -2.741 -2.884) 3.981 10.040 ( 1.443 2.926 -2.144) 3.904 10.073 ( 0.053 -0.098 -2.339) 2.341 10.226 ( -2.976 2.198 6.470) 7.453 10.254 ( -3.219 -0.061 5.829) 6.659 10.766 ( 2.709 2.364 0.479) 3.627 10.810 ( -0.037 -2.094 -1.254) 2.441 10.872 ( 2.693 0.585 -3.352) 4.339 10.920 ( 5.054 -3.239 -2.980) 6.702 12.451 ( -0.711 0.486 0.084) 0.865 12.455 ( -1.719 0.171 -0.022) 1.727 12.712 ( -0.442 3.449 2.258) 4.146 12.794 ( 2.038 -4.209 1.601) 4.943 18.848 ( -2.137 0.937 1.134) 2.595 18.873 ( -1.940 -1.516 1.361) 2.813 19.135 ( 4.181 1.099 -3.803) 5.758 19.155 ( 3.019 -0.622 -4.052) 5.091 19.301 ( 0.639 2.033 3.480) 4.081 19.344 ( 0.503 -1.930 3.389) 3.932 19.466 ( 0.017 1.855 -0.180) 1.864 19.495 ( -0.004 -0.748 -0.564) 0.937 19.825 ( -1.441 0.044 0.438) 1.507 19.847 ( -1.534 -1.902 -0.019) 2.443 20.028 ( -0.389 1.400 0.312) 1.486 20.050 ( -0.414 -0.828 -0.117) 0.933 20.380 ( -0.155 -0.417 -0.117) 0.460 20.381 ( -0.154 -0.497 -0.186) 0.553 20.579 ( -0.732 1.156 0.637) 1.509 20.585 ( -0.435 0.568 0.682) 0.988 ======================= Grid point 69 (40/84) ======================= q-point: (-0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 0.775 0.606 3.605) 3.737 0.723 ( 0.432 -4.953 0.618) 5.010 1.016 ( -4.178 3.760 -3.280) 6.507 1.072 ( -2.546 -0.531 -2.793) 3.817 1.167 ( -5.298 6.171 -1.128) 8.211 1.266 ( -3.788 -2.910 -2.891) 5.583 1.364 ( -4.632 6.031 -1.699) 7.791 1.479 ( 0.615 -2.749 -0.073) 2.818 1.522 ( -2.977 -1.959 2.017) 4.095 1.546 ( -2.794 -2.246 0.628) 3.640 1.611 ( -2.965 -1.881 -4.620) 5.803 1.623 ( -1.139 -2.796 -0.497) 3.060 1.727 ( 1.438 -0.095 -1.408) 2.015 1.775 ( -0.801 -4.081 -0.497) 4.188 1.869 ( 0.540 2.281 1.782) 2.944 1.906 ( 1.588 0.677 -0.822) 1.912 1.952 ( -1.232 2.282 -0.188) 2.600 1.961 ( -1.727 -2.440 1.764) 3.471 1.981 ( -2.922 -1.733 -0.869) 3.507 2.045 ( -1.856 -4.775 0.136) 5.125 2.118 ( 0.155 1.685 -0.564) 1.783 2.174 ( 0.485 -2.829 -0.536) 2.920 2.219 ( 1.552 2.034 0.551) 2.617 2.273 ( 1.092 -1.920 1.747) 2.816 2.322 ( 1.568 3.699 -1.617) 4.331 2.396 ( -0.115 -1.889 -2.677) 3.279 2.440 ( 0.219 2.683 -0.343) 2.713 2.485 ( 2.308 3.134 5.049) 6.375 2.521 ( 1.011 -2.848 3.945) 4.970 2.551 ( -0.471 -3.275 2.790) 4.328 2.648 ( -1.272 2.949 -0.306) 3.227 2.696 ( -2.655 0.415 -3.515) 4.424 2.764 ( -5.422 3.302 -7.974) 10.192 2.770 ( -1.412 -0.100 -5.830) 5.999 2.827 ( 0.405 -0.916 -0.859) 1.319 2.884 ( -0.940 -2.344 -1.580) 2.979 3.084 ( -3.435 3.854 -1.706) 5.437 3.104 ( -3.533 1.190 1.081) 3.881 3.153 ( -3.913 2.905 0.334) 4.885 3.183 ( -0.776 3.961 1.399) 4.272 3.207 ( -2.704 2.403 -3.658) 5.144 3.218 ( -3.118 -1.671 4.641) 5.835 3.333 ( -4.227 2.499 1.117) 5.036 3.398 ( -0.823 -1.273 0.889) 1.758 3.461 ( -1.872 0.923 1.248) 2.432 3.511 ( -1.535 4.253 -1.952) 4.925 3.588 ( -3.393 -6.096 -0.515) 6.996 3.622 ( -0.016 -6.722 -3.712) 7.678 3.729 ( -0.446 -0.632 1.588) 1.766 3.736 ( -1.409 0.502 1.593) 2.185 3.929 ( -5.587 3.062 5.489) 8.409 3.984 ( -7.087 -2.376 4.157) 8.553 4.111 ( -2.788 4.341 1.580) 5.395 4.227 ( 3.572 -1.515 3.338) 5.118 4.244 ( 3.391 -0.442 1.689) 3.814 4.258 ( 0.546 -4.329 -2.116) 4.849 4.381 ( -0.305 2.069 -1.111) 2.368 4.453 ( -1.073 -4.481 -0.023) 4.608 4.568 ( 0.803 0.745 0.992) 1.478 4.614 ( 0.324 -2.934 -0.345) 2.972 4.788 ( 0.921 3.947 3.457) 5.327 4.818 ( -2.199 1.075 1.228) 2.738 4.883 ( 2.765 -0.913 3.345) 4.435 4.925 ( -0.062 -4.698 1.920) 5.076 5.026 ( 5.758 5.395 1.230) 7.985 5.049 ( 4.263 -0.174 -3.621) 5.596 5.062 ( 4.963 2.780 -4.514) 7.263 5.178 ( 7.012 -3.899 -1.914) 8.248 5.265 ( 3.945 3.459 -5.325) 7.475 5.414 ( 5.370 -9.082 -5.597) 11.944 5.761 ( 0.092 0.150 1.605) 1.614 5.795 ( 0.614 -3.126 0.819) 3.289 6.129 ( -4.662 10.253 0.535) 11.276 6.212 ( -4.330 9.987 1.123) 10.943 6.306 ( -2.949 -5.748 2.591) 6.961 6.397 ( -4.208 -6.417 1.456) 7.811 6.590 ( -6.243 1.744 1.281) 6.608 6.638 ( -7.369 -3.105 0.364) 8.005 7.112 ( -0.407 8.753 -0.378) 8.770 7.303 ( 0.419 -9.516 -0.683) 9.549 8.562 ( -4.226 3.562 4.093) 6.878 8.587 ( -4.668 1.036 4.860) 6.818 8.796 ( -6.601 3.402 -0.108) 7.427 8.840 ( -5.473 0.458 -0.083) 5.493 9.144 ( -2.943 2.678 -2.135) 4.516 9.210 ( -0.700 -3.506 -4.301) 5.593 9.348 ( 3.416 -1.063 -0.519) 3.615 9.373 ( 5.040 -3.473 -2.951) 6.795 9.581 ( -0.871 2.397 0.097) 2.552 9.657 ( -0.225 -4.535 -0.464) 4.564 9.788 ( 0.589 3.081 -1.421) 3.443 9.843 ( -0.424 -1.925 -1.083) 2.249 10.022 ( -0.701 1.327 -1.593) 2.188 10.049 ( -0.430 -1.374 -0.666) 1.586 10.262 ( -1.309 2.501 5.964) 6.599 10.297 ( -0.557 -0.819 6.758) 6.830 10.769 ( 0.501 1.104 -1.970) 2.314 10.807 ( 2.249 -2.117 -2.227) 3.808 10.974 ( 10.983 2.950 -1.802) 11.514 11.037 ( 10.290 -2.740 -0.762) 10.676 12.426 ( -1.717 1.402 0.597) 2.296 12.442 ( -0.897 -0.211 0.690) 1.151 12.705 ( -2.884 4.830 1.182) 5.749 12.827 ( -0.212 -6.795 0.226) 6.803 18.822 ( -2.120 1.219 0.868) 2.595 18.853 ( -1.938 -1.783 1.032) 2.829 19.164 ( 2.990 0.927 -2.724) 4.149 19.168 ( 4.092 0.271 -3.760) 5.564 19.372 ( 2.883 1.732 2.324) 4.088 19.407 ( 2.759 -1.213 2.191) 3.726 19.477 ( 1.136 0.889 0.580) 1.554 19.498 ( 1.423 -0.761 -0.472) 1.681 19.805 ( -1.999 -0.314 1.807) 2.713 19.819 ( -1.989 -1.548 0.853) 2.661 20.018 ( -1.208 1.015 0.508) 1.658 20.032 ( -1.361 -0.429 -0.142) 1.434 20.367 ( -0.711 0.122 -0.389) 0.820 20.377 ( -0.284 -0.800 -0.207) 0.873 20.555 ( -2.637 1.433 0.161) 3.005 20.569 ( -2.211 0.076 0.428) 2.253 ======================= Grid point 70 (41/84) ======================= q-point: (-0.22 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 0.075 2.813 0.738) 2.910 0.742 ( -0.212 -0.447 3.668) 3.701 0.855 ( -6.806 7.323 -3.942) 10.747 1.013 ( -3.510 -5.154 0.310) 6.243 1.074 ( -3.930 5.961 -1.767) 7.355 1.201 ( -1.717 -4.067 -1.623) 4.703 1.253 ( -6.114 5.280 -0.016) 8.079 1.399 ( -9.691 -6.922 -2.480) 12.165 1.474 ( -2.464 -0.077 -0.539) 2.524 1.501 ( 1.518 -3.379 -0.358) 3.721 1.568 ( -0.765 0.042 0.864) 1.155 1.608 ( -1.376 -3.281 -0.517) 3.595 1.720 ( -3.285 0.709 1.782) 3.804 1.750 ( -3.035 -2.123 1.529) 4.008 1.869 ( -5.853 2.253 -0.030) 6.272 1.905 ( -3.607 -0.959 -0.609) 3.781 1.935 ( 1.583 1.385 -1.627) 2.659 1.946 ( -0.330 2.987 2.619) 3.986 1.974 ( -2.146 -1.142 -1.556) 2.887 2.020 ( -0.730 -1.875 3.008) 3.618 2.054 ( -3.326 4.504 -2.619) 6.181 2.143 ( -0.663 -2.228 -0.562) 2.391 2.197 ( -3.984 4.400 -3.591) 6.938 2.249 ( -1.225 0.355 -1.917) 2.303 2.343 ( -1.133 3.289 0.437) 3.506 2.362 ( 2.876 0.511 0.583) 2.978 2.421 ( 2.191 -2.685 -0.209) 3.472 2.472 ( 1.335 -3.052 -3.033) 4.505 2.521 ( -3.433 0.729 -0.194) 3.515 2.578 ( 1.914 -2.200 -0.833) 3.033 2.634 ( 2.469 1.784 -1.959) 3.622 2.662 ( 2.465 0.899 1.024) 2.817 2.703 ( 0.185 0.267 0.471) 0.572 2.779 ( 1.180 -3.749 -0.372) 3.948 2.836 ( 0.308 -0.128 0.741) 0.813 2.878 ( 0.292 -3.083 0.498) 3.136 2.972 ( -4.375 3.385 -3.280) 6.431 3.015 ( -2.017 -0.869 -4.940) 5.407 3.065 ( -4.041 6.286 -2.464) 7.869 3.156 ( -1.567 0.940 0.877) 2.027 3.176 ( -6.052 2.459 2.102) 6.863 3.217 ( -0.625 3.160 2.431) 4.035 3.289 ( -2.867 0.325 2.395) 3.750 3.355 ( -2.289 1.806 -0.656) 2.989 3.455 ( -2.379 -0.071 1.009) 2.585 3.504 ( 0.311 -5.798 0.444) 5.823 3.550 ( -1.454 -2.418 2.326) 3.657 3.598 ( -0.320 -7.163 0.950) 7.232 3.765 ( 0.692 0.792 2.885) 3.071 3.778 ( 1.931 -1.029 2.526) 3.342 3.867 ( -8.758 2.858 2.431) 9.528 3.905 ( -7.460 -1.260 4.153) 8.631 4.086 ( -2.896 3.759 1.931) 5.123 4.197 ( -0.358 -6.444 -0.243) 6.459 4.301 ( 0.971 2.060 -1.888) 2.958 4.337 ( 2.993 -0.575 0.968) 3.198 4.379 ( 0.394 0.737 1.358) 1.595 4.448 ( -0.162 -5.032 0.501) 5.060 4.601 ( 2.089 0.616 0.743) 2.301 4.631 ( 2.723 -1.688 0.040) 3.204 4.773 ( -1.698 2.996 -0.462) 3.474 4.833 ( -0.598 -1.495 2.786) 3.218 4.941 ( 0.821 -0.903 -0.096) 1.225 4.961 ( 1.337 -1.145 1.726) 2.465 5.033 ( 1.237 0.336 -3.556) 3.781 5.039 ( 1.436 0.197 -3.597) 3.878 5.214 ( 9.222 6.588 -1.473) 11.429 5.264 ( 5.491 1.711 -3.750) 6.866 5.336 ( 8.795 2.358 0.469) 9.118 5.451 ( 4.388 -6.140 -1.482) 7.691 5.770 ( -0.616 0.412 1.035) 1.273 5.807 ( -0.077 -2.933 0.304) 2.950 6.030 ( -5.993 11.069 -1.240) 12.649 6.147 ( -4.025 8.122 0.657) 9.089 6.247 ( -6.227 -8.166 1.165) 10.335 6.326 ( -5.050 -7.319 0.555) 8.909 6.497 ( -7.197 0.123 2.373) 7.579 6.510 ( -6.710 -1.357 0.386) 6.857 7.075 ( -1.694 9.746 -2.281) 10.152 7.280 ( -0.736 -9.694 -2.586) 10.060 8.542 ( -4.791 3.961 3.066) 6.931 8.581 ( -3.993 4.027 7.034) 9.035 8.664 ( -7.585 -0.288 -0.775) 7.630 8.751 ( -3.691 -4.536 0.386) 5.861 9.117 ( -0.072 4.216 1.526) 4.485 9.192 ( 1.923 -2.969 -0.752) 3.617 9.347 ( -1.478 0.882 -1.955) 2.605 9.383 ( 0.520 -2.370 -4.388) 5.014 9.581 ( 3.203 1.636 -2.207) 4.220 9.629 ( 1.430 -2.238 -3.534) 4.421 9.774 ( -1.858 2.648 -0.343) 3.253 9.825 ( -1.578 -2.803 1.008) 3.371 9.989 ( -1.207 0.943 -0.292) 1.559 10.038 ( -1.025 -3.390 0.704) 3.611 10.317 ( -0.782 2.476 5.000) 5.634 10.357 ( -0.723 -1.535 3.753) 4.119 10.780 ( 3.120 2.158 -1.274) 4.001 10.836 ( 4.066 -3.105 -1.732) 5.401 11.187 ( 14.676 4.792 1.194) 15.485 11.249 ( 13.355 -1.573 1.842) 13.573 12.404 ( -2.081 2.266 -0.293) 3.091 12.422 ( -2.337 0.580 -0.128) 2.411 12.648 ( -4.031 3.296 0.336) 5.217 12.764 ( -5.410 -8.282 -3.613) 10.531 18.801 ( -1.852 1.308 1.637) 2.797 18.835 ( -1.722 -1.967 1.552) 3.040 19.183 ( 2.957 1.441 -2.456) 4.105 19.194 ( 3.427 0.056 -3.091) 4.616 19.431 ( 2.773 1.951 -0.343) 3.407 19.472 ( 2.770 -1.660 -0.513) 3.270 19.521 ( 2.940 1.400 1.309) 3.509 19.546 ( 3.097 -1.050 0.889) 3.389 19.797 ( -2.256 -0.139 1.791) 2.883 19.809 ( -1.385 -1.450 3.105) 3.696 20.006 ( -0.880 0.482 0.892) 1.342 20.010 ( -0.769 0.059 0.384) 0.861 20.348 ( -0.760 0.606 -0.548) 1.116 20.364 ( -0.608 -0.958 -0.549) 1.261 20.493 ( -3.967 1.550 -0.702) 4.317 20.517 ( -3.761 -0.716 -0.716) 3.895 ======================= Grid point 71 (42/84) ======================= q-point: (-0.11 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -0.466 7.545 2.884) 8.091 0.729 ( -4.863 12.069 0.833) 13.039 0.806 ( 2.555 1.713 3.886) 4.956 0.915 ( -8.620 4.384 -4.074) 10.494 0.980 ( -3.351 -8.883 2.050) 9.713 1.138 ( -3.386 -9.150 -0.129) 9.758 1.181 ( -3.366 -1.187 1.459) 3.856 1.232 ( -6.752 -3.727 1.690) 7.896 1.449 ( -0.770 8.184 1.517) 8.359 1.521 ( 1.827 -2.100 -1.870) 3.353 1.546 ( -2.233 0.294 -2.391) 3.285 1.567 ( -1.420 -0.996 -1.016) 2.010 1.667 ( -6.134 6.694 0.310) 9.085 1.683 ( -4.323 -0.236 1.352) 4.536 1.721 ( -3.698 2.284 -0.188) 4.351 1.797 ( -4.169 -2.017 -0.378) 4.647 1.882 ( -1.190 3.410 -1.505) 3.913 1.965 ( 0.852 -1.737 -0.235) 1.949 2.003 ( 0.903 2.294 1.498) 2.885 2.031 ( -0.369 0.417 0.413) 0.694 2.056 ( 0.031 -0.355 -0.085) 0.366 2.135 ( -0.957 -1.808 -1.387) 2.471 2.169 ( 0.087 0.260 3.478) 3.488 2.204 ( 0.361 -4.127 1.437) 4.385 2.380 ( 1.714 3.447 1.715) 4.215 2.438 ( 0.804 4.663 0.975) 4.831 2.449 ( 2.546 0.266 -0.734) 2.663 2.476 ( 2.286 -4.657 -0.957) 5.275 2.502 ( 0.962 2.244 -0.601) 2.514 2.596 ( 1.463 -2.337 0.060) 2.758 2.655 ( 3.003 -0.343 -2.831) 4.141 2.691 ( 2.674 -1.195 -2.459) 3.825 2.720 ( 0.145 2.984 1.018) 3.156 2.770 ( -2.727 -0.467 1.080) 2.970 2.834 ( -1.519 -0.517 0.852) 1.817 2.857 ( -4.649 2.582 -0.272) 5.325 2.885 ( 0.040 -5.175 -0.986) 5.269 2.945 ( -0.740 -3.057 -1.507) 3.488 3.037 ( -0.101 2.692 -0.435) 2.729 3.097 ( -0.769 -1.481 0.480) 1.737 3.158 ( 1.107 1.255 -1.354) 2.153 3.208 ( -1.522 0.034 1.055) 1.853 3.315 ( -0.142 2.142 1.611) 2.683 3.323 ( -0.871 2.130 0.570) 2.371 3.412 ( -1.314 -0.383 0.884) 1.629 3.469 ( -4.671 -7.887 -3.424) 9.785 3.580 ( 0.614 0.631 2.039) 2.221 3.599 ( -1.577 -0.755 -0.665) 1.871 3.711 ( -6.893 2.721 -0.893) 7.464 3.759 ( -5.859 -2.494 5.503) 8.416 3.823 ( -1.058 -1.213 0.480) 1.680 3.852 ( -1.438 -3.090 0.468) 3.440 4.067 ( -0.469 5.990 -0.249) 6.013 4.199 ( 1.577 -6.068 -3.397) 7.131 4.295 ( 1.352 0.182 0.149) 1.372 4.354 ( 0.222 -3.702 -0.474) 3.739 4.396 ( -1.416 1.560 1.727) 2.724 4.459 ( -1.559 -3.594 2.543) 4.670 4.647 ( 2.826 2.184 -1.126) 3.745 4.687 ( 2.270 -1.654 -0.455) 2.845 4.742 ( -0.009 2.897 -0.927) 3.041 4.827 ( -0.423 -3.865 -3.826) 5.454 4.946 ( -0.054 0.957 0.857) 1.286 4.978 ( 0.016 -1.644 0.103) 1.647 5.041 ( 1.505 0.762 2.286) 2.842 5.059 ( 0.539 -0.823 4.276) 4.388 5.275 ( 4.382 7.000 -1.995) 8.496 5.349 ( 4.274 -0.077 -1.927) 4.689 5.489 ( 6.259 5.631 3.097) 8.971 5.544 ( 4.471 1.443 1.552) 4.948 5.771 ( -0.752 0.376 1.023) 1.324 5.796 ( -1.514 -0.505 -0.276) 1.620 5.919 ( -3.364 8.554 -1.738) 9.355 6.093 ( -2.034 3.544 -1.322) 4.294 6.144 ( -6.002 -8.887 1.380) 10.812 6.251 ( -3.361 -8.082 -0.312) 8.758 6.406 ( -5.026 0.800 1.800) 5.399 6.434 ( -4.697 -2.010 2.513) 5.693 7.021 ( -0.686 10.305 -2.512) 10.629 7.230 ( 0.117 -9.489 -4.296) 10.417 8.456 ( -4.161 3.835 -2.589) 6.223 8.533 ( -4.726 -0.397 -2.640) 5.428 8.592 ( -3.548 3.568 3.942) 6.392 8.730 ( -1.902 -6.348 2.231) 6.992 9.144 ( -0.382 4.246 2.358) 4.872 9.224 ( -0.280 -3.501 1.539) 3.834 9.308 ( 0.420 1.910 -0.641) 2.058 9.334 ( -0.046 -0.597 -0.698) 0.920 9.611 ( 2.912 0.411 -2.685) 3.982 9.633 ( 2.257 -1.451 -2.211) 3.477 9.737 ( -0.878 2.818 -0.780) 3.053 9.801 ( -1.434 -3.668 -0.037) 3.939 9.983 ( -0.735 0.655 1.836) 2.083 10.032 ( -1.469 -3.414 2.046) 4.243 10.330 ( -2.178 1.132 1.584) 2.921 10.355 ( -1.851 -1.239 0.443) 2.271 10.832 ( 2.915 2.716 0.002) 3.984 10.892 ( 3.360 -3.077 -0.646) 4.602 11.509 ( 13.521 1.872 1.755) 13.762 11.518 ( 16.653 1.456 2.883) 16.963 12.298 ( -5.976 2.670 -2.489) 7.003 12.353 ( -5.655 -1.977 -2.778) 6.604 12.577 ( -7.070 0.063 -4.194) 8.221 12.601 ( -2.049 -1.323 0.419) 2.475 18.800 ( -1.550 1.003 3.281) 3.765 18.833 ( -1.563 -2.030 2.849) 3.832 19.206 ( 2.997 0.863 -2.753) 4.160 19.214 ( 2.810 -0.056 -2.425) 3.712 19.474 ( 2.784 1.928 -0.424) 3.413 19.507 ( 2.893 -1.121 -1.273) 3.354 19.577 ( 1.454 0.669 0.560) 1.695 19.593 ( 0.574 -0.913 0.884) 1.394 19.767 ( -2.146 2.082 -0.022) 2.990 19.820 ( -0.695 -2.908 0.879) 3.117 20.007 ( -0.360 0.935 0.016) 1.002 20.019 ( 0.712 -0.194 -0.712) 1.025 20.332 ( -0.266 0.467 -0.183) 0.568 20.345 ( -0.667 -0.810 -0.560) 1.189 20.418 ( -3.006 0.890 -0.430) 3.164 20.431 ( -3.707 -0.318 -1.225) 3.917 ======================= Grid point 90 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -2.418 0.000 11.699) 11.947 0.658 ( 1.783 0.000 13.911) 14.025 0.778 ( 8.369 0.000 1.379) 8.482 0.960 ( -6.576 0.000 -1.412) 6.726 1.024 ( 0.921 0.000 0.138) 0.931 1.152 ( -4.174 0.000 -4.683) 6.273 1.329 ( -2.594 0.000 4.498) 5.192 1.341 ( -2.419 0.000 8.384) 8.726 1.379 ( -0.159 0.000 -4.498) 4.501 1.459 ( 8.585 0.000 18.517) 20.411 1.476 ( 1.391 0.000 -3.280) 3.563 1.593 ( 0.521 0.000 1.917) 1.987 1.709 ( 0.041 0.000 -3.966) 3.966 1.716 ( 2.475 0.000 6.356) 6.821 1.790 ( 2.414 0.000 2.576) 3.530 1.858 ( 0.462 0.000 -2.354) 2.399 1.860 ( -3.393 0.000 -0.878) 3.505 1.900 ( -0.727 0.000 2.384) 2.492 1.956 ( 0.964 0.000 1.694) 1.949 2.041 ( -0.630 0.000 -0.026) 0.631 2.043 ( -1.087 0.000 0.800) 1.350 2.077 ( 0.691 0.000 0.123) 0.702 2.163 ( 1.305 0.000 3.011) 3.282 2.196 ( -2.184 0.000 -2.714) 3.483 2.311 ( 0.305 0.000 -0.988) 1.034 2.357 ( 0.293 0.000 -4.407) 4.417 2.377 ( 0.487 0.000 -1.112) 1.214 2.516 ( 0.556 0.000 0.539) 0.775 2.523 ( -1.882 0.000 0.739) 2.022 2.599 ( -2.060 0.000 -2.123) 2.958 2.635 ( 1.424 0.000 -3.800) 4.058 2.666 ( -2.887 0.000 -5.755) 6.439 2.730 ( 0.139 0.000 -0.493) 0.512 2.756 ( 1.841 0.000 1.848) 2.608 2.767 ( -2.491 0.000 -4.164) 4.852 2.843 ( -0.806 0.000 -1.451) 1.660 2.874 ( -1.539 0.000 -0.280) 1.564 2.939 ( 5.246 0.000 -8.877) 10.312 3.019 ( 2.797 0.000 3.537) 4.509 3.078 ( -0.674 0.000 2.863) 2.941 3.115 ( -0.907 0.000 -0.649) 1.115 3.243 ( 0.282 0.000 -1.407) 1.435 3.251 ( 2.191 0.000 1.208) 2.502 3.264 ( -1.226 0.000 -6.281) 6.400 3.358 ( 2.309 0.000 -5.282) 5.765 3.366 ( -3.477 0.000 1.206) 3.681 3.472 ( -3.732 0.000 5.273) 6.460 3.649 ( 1.535 0.000 -3.214) 3.562 3.774 ( -1.139 0.000 0.053) 1.141 3.855 ( 0.889 0.000 -3.704) 3.809 3.965 ( 0.486 0.000 3.536) 3.569 3.982 ( -4.907 0.000 2.811) 5.655 4.167 ( -7.662 0.000 3.548) 8.443 4.292 ( 0.624 0.000 -2.603) 2.677 4.409 ( 2.742 0.000 -0.053) 2.742 4.415 ( 1.218 0.000 -0.719) 1.414 4.485 ( 2.467 0.000 -0.303) 2.485 4.498 ( -1.482 0.000 -0.532) 1.575 4.578 ( 0.499 0.000 4.756) 4.782 4.695 ( 0.331 0.000 -3.244) 3.261 4.836 ( -0.401 0.000 1.342) 1.400 4.852 ( -2.923 0.000 -0.008) 2.923 4.979 ( 3.399 0.000 -1.012) 3.547 5.038 ( -0.789 0.000 -0.072) 0.793 5.119 ( 1.335 0.000 3.073) 3.350 5.155 ( -5.003 0.000 0.048) 5.003 5.200 ( -2.783 0.000 2.643) 3.838 5.208 ( 3.127 0.000 0.211) 3.134 5.256 ( 1.249 0.000 1.384) 1.864 5.339 ( -0.538 0.000 -5.646) 5.672 5.537 ( 2.236 0.000 2.231) 3.159 5.592 ( 0.715 0.000 -1.095) 1.308 6.011 ( -0.317 0.000 3.426) 3.441 6.078 ( 0.487 0.000 -0.610) 0.780 6.422 ( -2.798 0.000 5.288) 5.982 6.516 ( -3.223 0.000 7.292) 7.972 6.542 ( -3.104 0.000 6.577) 7.272 6.566 ( -1.418 0.000 2.869) 3.200 6.735 ( 5.352 0.000 -2.486) 5.901 7.106 ( 5.641 0.000 -16.286) 17.236 8.143 ( -4.311 0.000 -6.196) 7.548 8.147 ( 2.455 0.000 -6.856) 7.282 8.764 ( -0.615 0.000 4.213) 4.257 8.901 ( -3.181 0.000 -1.557) 3.542 9.029 ( -3.646 0.000 2.583) 4.469 9.079 ( 3.739 0.000 -3.174) 4.905 9.369 ( 1.425 0.000 3.665) 3.932 9.480 ( -0.940 0.000 -0.989) 1.365 9.658 ( 1.749 0.000 0.171) 1.758 9.690 ( 2.360 0.000 -3.098) 3.895 9.829 ( 3.180 0.000 9.232) 9.764 10.003 ( -6.768 0.000 4.800) 8.297 10.035 ( -2.370 0.000 -1.359) 2.732 10.128 ( -1.101 0.000 1.301) 1.704 10.139 ( -1.161 0.000 -0.941) 1.494 10.284 ( 0.047 0.000 -5.626) 5.626 10.837 ( -0.526 0.000 2.214) 2.276 10.911 ( 0.122 0.000 -1.591) 1.596 11.438 ( -4.046 0.000 -0.193) 4.050 11.465 ( -1.318 0.000 -1.903) 2.315 12.234 ( 1.826 0.000 1.192) 2.181 12.266 ( -1.145 0.000 -0.481) 1.242 12.552 ( 17.834 0.000 0.835) 17.853 12.587 ( -5.496 0.000 -0.972) 5.581 18.933 ( -1.041 0.000 3.155) 3.322 19.034 ( 0.864 0.000 -1.467) 1.703 19.067 ( -9.791 0.000 2.726) 10.163 19.181 ( 4.381 0.000 -3.084) 5.358 19.477 ( -2.116 0.000 2.077) 2.965 19.546 ( 3.663 0.000 0.279) 3.674 19.576 ( -1.563 0.000 -1.619) 2.250 19.599 ( 2.420 0.000 -2.790) 3.693 19.674 ( 4.509 0.000 1.050) 4.630 19.708 ( -1.868 0.000 -0.901) 2.074 19.856 ( -4.705 0.000 -1.435) 4.919 19.887 ( 1.818 0.000 -2.039) 2.732 20.345 ( -0.136 0.000 1.542) 1.548 20.376 ( 1.757 0.000 -0.164) 1.764 20.400 ( 0.754 0.000 1.111) 1.343 20.402 ( -0.157 0.000 0.719) 0.736 ======================= Grid point 91 (44/84) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -4.431 0.000 0.510) 4.460 0.819 ( 5.631 0.000 1.717) 5.887 0.926 ( -0.280 0.000 -0.328) 0.432 0.997 ( 5.875 0.000 9.708) 11.347 1.044 ( 3.364 0.000 -3.459) 4.825 1.094 ( 7.133 0.000 1.648) 7.321 1.309 ( -0.847 0.000 -0.535) 1.001 1.353 ( 0.457 0.000 1.727) 1.786 1.396 ( 5.107 0.000 -0.421) 5.124 1.480 ( 2.286 0.000 -1.723) 2.862 1.648 ( 3.074 0.000 2.021) 3.679 1.661 ( 0.206 0.000 -2.753) 2.761 1.763 ( -3.788 0.000 -1.628) 4.123 1.786 ( 1.302 0.000 6.267) 6.401 1.809 ( 1.437 0.000 1.261) 1.911 1.856 ( 2.928 0.000 -3.344) 4.445 1.895 ( 0.070 0.000 -3.073) 3.073 1.994 ( 3.247 0.000 2.098) 3.866 2.018 ( -0.300 0.000 -4.315) 4.325 2.019 ( 1.851 0.000 3.325) 3.805 2.070 ( 6.672 0.000 7.634) 10.139 2.097 ( 2.403 0.000 -0.581) 2.473 2.187 ( 1.042 0.000 3.109) 3.279 2.234 ( 3.863 0.000 1.860) 4.288 2.244 ( -3.177 0.000 -7.432) 8.083 2.255 ( 0.410 0.000 -1.687) 1.737 2.418 ( 3.222 0.000 4.444) 5.489 2.514 ( -0.560 0.000 -2.179) 2.250 2.517 ( 0.600 0.000 -2.836) 2.899 2.527 ( -1.702 0.000 -2.268) 2.835 2.562 ( 1.620 0.000 3.906) 4.229 2.664 ( 0.081 0.000 -0.520) 0.527 2.701 ( -3.807 0.000 0.061) 3.807 2.707 ( 1.081 0.000 -2.707) 2.915 2.775 ( 0.276 0.000 0.055) 0.281 2.841 ( 1.923 0.000 -3.290) 3.811 2.911 ( 5.549 0.000 0.588) 5.580 2.921 ( -0.416 0.000 -2.362) 2.398 3.089 ( -0.849 0.000 -0.419) 0.946 3.111 ( 1.564 0.000 4.927) 5.170 3.148 ( 2.693 0.000 0.126) 2.696 3.218 ( 2.273 0.000 -7.026) 7.385 3.254 ( 1.364 0.000 1.892) 2.332 3.269 ( 6.228 0.000 -4.564) 7.721 3.324 ( 0.252 0.000 -1.614) 1.633 3.421 ( 3.908 0.000 5.754) 6.956 3.469 ( -2.374 0.000 3.314) 4.077 3.630 ( -0.281 0.000 -3.665) 3.676 3.734 ( -3.393 0.000 2.202) 4.045 3.819 ( -1.264 0.000 -0.643) 1.418 3.921 ( -3.894 0.000 -1.104) 4.048 3.943 ( -7.313 0.000 7.727) 10.639 4.191 ( 2.848 0.000 2.643) 3.885 4.268 ( -1.439 0.000 -0.148) 1.446 4.435 ( -3.802 0.000 0.486) 3.833 4.450 ( 2.669 0.000 -1.305) 2.971 4.456 ( 4.394 0.000 -2.397) 5.006 4.529 ( 2.269 0.000 -0.284) 2.287 4.645 ( 1.259 0.000 2.868) 3.133 4.653 ( -1.348 0.000 -2.275) 2.644 4.808 ( -4.134 0.000 0.515) 4.165 4.809 ( -3.630 0.000 1.590) 3.963 4.950 ( -3.467 0.000 -3.716) 5.082 4.997 ( -2.092 0.000 0.139) 2.096 5.108 ( -2.979 0.000 2.583) 3.943 5.116 ( -5.231 0.000 0.328) 5.241 5.225 ( 4.810 0.000 2.827) 5.579 5.269 ( 2.408 0.000 -0.972) 2.597 5.311 ( 4.226 0.000 -0.734) 4.289 5.325 ( 3.069 0.000 -0.486) 3.107 5.585 ( 1.176 0.000 1.006) 1.547 5.590 ( 1.536 0.000 -3.007) 3.377 6.021 ( -2.206 0.000 1.966) 2.955 6.067 ( -0.642 0.000 -1.200) 1.361 6.448 ( -0.747 0.000 4.248) 4.314 6.516 ( -3.473 0.000 3.994) 5.293 6.588 ( 1.509 0.000 1.118) 1.878 6.630 ( -1.479 0.000 11.373) 11.469 6.794 ( 5.229 0.000 -4.697) 7.029 7.044 ( 9.799 0.000 -15.616) 18.436 8.069 ( 1.763 0.000 -1.211) 2.139 8.186 ( 8.011 0.000 -1.756) 8.201 8.815 ( -3.433 0.000 -1.497) 3.745 8.822 ( -0.206 0.000 6.415) 6.418 9.014 ( 0.238 0.000 0.026) 0.240 9.163 ( 7.196 0.000 -0.777) 7.238 9.432 ( 0.755 0.000 3.073) 3.164 9.439 ( -0.576 0.000 -2.747) 2.807 9.663 ( 0.630 0.000 -3.264) 3.325 9.667 ( -0.936 0.000 -1.352) 1.644 9.967 ( -1.674 0.000 -5.549) 5.796 9.988 ( -3.323 0.000 6.008) 6.866 10.006 ( 3.946 0.000 8.237) 9.134 10.105 ( -2.816 0.000 2.346) 3.665 10.150 ( -0.656 0.000 3.874) 3.929 10.194 ( -1.414 0.000 -7.118) 7.257 10.849 ( -1.130 0.000 2.251) 2.518 10.889 ( -0.686 0.000 -1.464) 1.617 11.372 ( -5.534 0.000 2.515) 6.078 11.385 ( -6.675 0.000 0.495) 6.693 12.263 ( 1.902 0.000 -0.627) 2.003 12.310 ( 5.194 0.000 0.441) 5.213 12.460 ( -4.470 0.000 -3.907) 5.937 12.762 ( 9.455 0.000 -4.911) 10.654 18.950 ( -1.542 0.000 3.142) 3.500 18.980 ( -5.990 0.000 5.100) 7.867 19.029 ( 1.114 0.000 -2.253) 2.513 19.224 ( 3.691 0.000 -1.841) 4.125 19.460 ( -2.178 0.000 1.392) 2.585 19.464 ( -6.254 0.000 -0.834) 6.309 19.576 ( -1.085 0.000 1.088) 1.536 19.589 ( -4.395 0.000 -5.143) 6.765 19.679 ( 3.753 0.000 -0.328) 3.767 19.762 ( 5.407 0.000 -0.300) 5.415 19.830 ( 1.253 0.000 1.350) 1.842 19.934 ( 4.531 0.000 -0.350) 4.544 20.360 ( 0.493 0.000 0.646) 0.813 20.394 ( 0.607 0.000 -1.334) 1.465 20.416 ( 1.770 0.000 -0.075) 1.772 20.427 ( 1.404 0.000 0.005) 1.404 ======================= Grid point 92 (45/84) ======================= q-point: ( 0.22 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -4.983 0.000 0.539) 5.012 0.870 ( 3.087 0.000 -7.414) 8.031 0.889 ( 5.891 0.000 -4.063) 7.156 1.151 ( 5.032 0.000 -0.215) 5.037 1.169 ( 7.316 0.000 -1.117) 7.401 1.281 ( 5.147 0.000 5.972) 7.884 1.326 ( 0.008 0.000 4.795) 4.795 1.402 ( 2.794 0.000 -0.584) 2.854 1.442 ( 1.696 0.000 -0.539) 1.779 1.503 ( 2.051 0.000 -0.922) 2.249 1.641 ( 0.081 0.000 -0.511) 0.517 1.740 ( 1.703 0.000 2.623) 3.128 1.743 ( 4.965 0.000 0.762) 5.024 1.812 ( 4.930 0.000 -5.029) 7.042 1.849 ( 1.163 0.000 1.720) 2.076 1.867 ( 0.330 0.000 -0.768) 0.836 1.870 ( 3.728 0.000 -3.734) 5.276 1.966 ( -2.706 0.000 -3.587) 4.493 1.979 ( 0.121 0.000 -2.355) 2.358 2.054 ( 1.950 0.000 1.754) 2.623 2.132 ( 1.714 0.000 -1.613) 2.354 2.156 ( 3.948 0.000 0.459) 3.974 2.174 ( 0.222 0.000 -0.785) 0.816 2.235 ( 0.712 0.000 1.721) 1.862 2.299 ( -0.945 0.000 4.765) 4.858 2.329 ( 4.014 0.000 -2.012) 4.490 2.418 ( -5.609 0.000 -3.944) 6.857 2.443 ( -3.647 0.000 -1.686) 4.018 2.543 ( 2.243 0.000 1.993) 3.000 2.571 ( 6.233 0.000 -1.216) 6.351 2.601 ( -3.611 0.000 -1.608) 3.953 2.630 ( 0.424 0.000 -1.180) 1.254 2.743 ( 3.500 0.000 2.609) 4.366 2.756 ( 4.441 0.000 -0.294) 4.451 2.838 ( 1.343 0.000 -1.410) 1.947 2.850 ( 4.256 0.000 5.812) 7.204 2.897 ( -1.220 0.000 -0.425) 1.292 3.027 ( 5.088 0.000 2.321) 5.592 3.038 ( 0.361 0.000 -5.094) 5.107 3.147 ( 1.061 0.000 -1.288) 1.668 3.166 ( -1.668 0.000 -0.903) 1.897 3.209 ( 1.759 0.000 5.831) 6.091 3.317 ( 3.266 0.000 0.493) 3.303 3.367 ( 8.409 0.000 -4.921) 9.743 3.398 ( 8.086 0.000 3.697) 8.891 3.488 ( 0.953 0.000 2.471) 2.648 3.574 ( -0.129 0.000 -1.900) 1.904 3.579 ( 5.159 0.000 7.159) 8.824 3.727 ( -2.055 0.000 4.425) 4.879 3.778 ( -1.462 0.000 -4.117) 4.369 3.852 ( -1.810 0.000 1.032) 2.084 3.966 ( -1.853 0.000 8.860) 9.052 4.235 ( -3.250 0.000 1.204) 3.466 4.236 ( -0.655 0.000 1.015) 1.208 4.350 ( -4.940 0.000 -0.635) 4.981 4.456 ( 0.520 0.000 -4.202) 4.234 4.518 ( -2.681 0.000 -2.604) 3.737 4.535 ( 5.160 0.000 -0.689) 5.206 4.594 ( -2.070 0.000 -2.453) 3.210 4.658 ( -2.335 0.000 -1.160) 2.607 4.716 ( -5.163 0.000 -0.471) 5.185 4.746 ( -5.544 0.000 2.019) 5.901 4.875 ( -0.398 0.000 -2.593) 2.623 4.928 ( -3.813 0.000 -0.006) 3.813 5.018 ( -6.066 0.000 0.386) 6.078 5.094 ( -1.591 0.000 0.161) 1.600 5.271 ( 0.068 0.000 -0.781) 0.784 5.374 ( 5.502 0.000 4.367) 7.024 5.399 ( 7.368 0.000 -0.306) 7.374 5.410 ( 5.031 0.000 1.847) 5.359 5.576 ( 2.524 0.000 -4.384) 5.059 5.605 ( -0.021 0.000 0.710) 0.711 5.986 ( -3.829 0.000 1.327) 4.053 6.028 ( -1.299 0.000 -2.255) 2.602 6.496 ( 0.958 0.000 3.131) 3.275 6.503 ( -4.311 0.000 4.952) 6.565 6.610 ( 2.003 0.000 -1.918) 2.774 6.760 ( -0.708 0.000 12.927) 12.947 6.794 ( 3.593 0.000 -6.834) 7.721 7.083 ( 13.891 0.000 -13.079) 19.080 8.172 ( 7.190 0.000 3.921) 8.189 8.364 ( 10.987 0.000 2.486) 11.265 8.758 ( -2.727 0.000 0.698) 2.814 8.898 ( -1.330 0.000 8.010) 8.120 9.036 ( 4.029 0.000 -2.541) 4.764 9.272 ( 4.864 0.000 -1.151) 4.998 9.406 ( 2.703 0.000 -4.168) 4.968 9.443 ( -1.978 0.000 0.025) 1.978 9.615 ( 0.830 0.000 -6.129) 6.185 9.669 ( 0.801 0.000 2.140) 2.285 9.817 ( -4.722 0.000 -8.622) 9.830 9.991 ( -3.483 0.000 4.800) 5.930 10.083 ( -2.540 0.000 -0.504) 2.590 10.131 ( 1.801 0.000 1.345) 2.247 10.136 ( -0.880 0.000 2.973) 3.101 10.202 ( -0.714 0.000 8.107) 8.139 10.839 ( -3.191 0.000 -1.829) 3.679 10.849 ( -1.497 0.000 1.615) 2.202 11.224 ( -10.949 0.000 -2.251) 11.178 11.283 ( -7.935 0.000 1.608) 8.096 12.322 ( 4.827 0.000 0.498) 4.852 12.388 ( 1.512 0.000 -2.913) 3.281 12.429 ( 6.821 0.000 2.522) 7.273 12.800 ( 2.967 0.000 -5.221) 6.005 18.945 ( -3.797 0.000 4.230) 5.684 18.968 ( -1.963 0.000 3.361) 3.892 19.018 ( 1.366 0.000 -3.142) 3.426 19.238 ( 0.641 0.000 -3.758) 3.812 19.377 ( -4.482 0.000 2.090) 4.945 19.431 ( -5.572 0.000 -2.989) 6.323 19.434 ( -2.102 0.000 0.595) 2.185 19.553 ( -2.340 0.000 0.745) 2.456 19.769 ( 5.439 0.000 0.413) 5.455 19.855 ( 4.855 0.000 0.434) 4.875 19.884 ( 1.892 0.000 2.225) 2.921 20.008 ( 3.396 0.000 0.439) 3.424 20.381 ( 1.418 0.000 0.264) 1.443 20.382 ( 0.391 0.000 -1.516) 1.566 20.448 ( 2.553 0.000 -0.954) 2.726 20.452 ( 1.976 0.000 -0.528) 2.045 ======================= Grid point 93 (46/84) ======================= q-point: ( 0.33 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -0.475 0.000 6.606) 6.623 0.884 ( 5.450 0.000 -3.319) 6.381 0.995 ( 9.226 0.000 -0.589) 9.245 1.148 ( 2.453 0.000 -9.363) 9.679 1.231 ( 4.972 0.000 -4.251) 6.541 1.283 ( 0.528 0.000 -6.446) 6.467 1.365 ( -0.761 0.000 0.914) 1.189 1.458 ( 1.809 0.000 3.413) 3.863 1.524 ( 0.787 0.000 -0.459) 0.911 1.545 ( 2.039 0.000 5.150) 5.539 1.652 ( -0.237 0.000 1.976) 1.991 1.798 ( -0.924 0.000 0.468) 1.036 1.844 ( 3.478 0.000 0.328) 3.493 1.845 ( -3.267 0.000 -0.834) 3.372 1.859 ( 0.015 0.000 4.434) 4.434 1.890 ( 1.006 0.000 -0.443) 1.100 1.904 ( 5.558 0.000 -0.636) 5.595 1.946 ( 5.037 0.000 0.503) 5.062 1.977 ( 2.934 0.000 1.782) 3.432 2.093 ( 1.163 0.000 -0.236) 1.186 2.160 ( -0.741 0.000 -1.136) 1.357 2.162 ( 1.951 0.000 1.724) 2.603 2.205 ( -0.270 0.000 -0.713) 0.762 2.288 ( 1.409 0.000 0.792) 1.616 2.315 ( 3.018 0.000 -1.868) 3.549 2.324 ( -1.080 0.000 3.379) 3.548 2.350 ( 2.124 0.000 -4.267) 4.766 2.396 ( -2.426 0.000 3.315) 4.108 2.532 ( -2.152 0.000 -0.679) 2.257 2.553 ( -0.540 0.000 -1.987) 2.059 2.622 ( 0.188 0.000 -1.601) 1.612 2.633 ( 2.810 0.000 -3.192) 4.253 2.808 ( 2.569 0.000 1.266) 2.864 2.828 ( 1.301 0.000 1.168) 1.749 2.845 ( 1.200 0.000 -3.419) 3.623 2.874 ( 2.690 0.000 0.038) 2.690 2.909 ( 1.117 0.000 -1.062) 1.541 3.037 ( 5.028 0.000 -2.849) 5.779 3.084 ( 1.718 0.000 -0.586) 1.815 3.117 ( -1.160 0.000 -3.166) 3.372 3.132 ( -2.883 0.000 0.483) 2.923 3.243 ( -0.302 0.000 0.218) 0.372 3.405 ( 2.000 0.000 1.587) 2.553 3.408 ( 3.487 0.000 -5.430) 6.453 3.540 ( 1.949 0.000 2.165) 2.913 3.609 ( 5.623 0.000 0.435) 5.640 3.714 ( 11.887 0.000 9.970) 15.514 3.725 ( 4.123 0.000 -1.932) 4.553 3.752 ( 0.456 0.000 1.663) 1.724 3.758 ( 0.545 0.000 5.300) 5.328 3.849 ( -0.823 0.000 1.662) 1.854 4.050 ( -0.256 0.000 6.799) 6.804 4.188 ( -5.216 0.000 3.458) 6.258 4.213 ( -3.250 0.000 -0.007) 3.250 4.269 ( -2.162 0.000 -1.144) 2.446 4.288 ( -10.510 0.000 -5.813) 12.010 4.402 ( -5.470 0.000 -3.228) 6.352 4.533 ( 0.151 0.000 -4.643) 4.646 4.539 ( -0.134 0.000 -6.268) 6.270 4.588 ( -4.411 0.000 2.028) 4.855 4.666 ( 0.492 0.000 -1.015) 1.128 4.718 ( -1.687 0.000 4.774) 5.063 4.862 ( 1.476 0.000 -1.965) 2.458 4.883 ( -2.684 0.000 1.574) 3.112 4.950 ( -3.185 0.000 2.542) 4.075 5.046 ( -2.076 0.000 -2.202) 3.026 5.262 ( 0.627 0.000 -1.847) 1.951 5.413 ( -0.668 0.000 -3.481) 3.545 5.552 ( 6.294 0.000 2.795) 6.887 5.563 ( 9.112 0.000 2.241) 9.384 5.600 ( 3.040 0.000 -0.760) 3.134 5.604 ( -0.922 0.000 0.963) 1.333 5.934 ( -3.914 0.000 1.952) 4.373 5.975 ( -1.272 0.000 -2.847) 3.118 6.484 ( -5.279 0.000 6.201) 8.143 6.535 ( 0.175 0.000 1.029) 1.044 6.624 ( 1.669 0.000 -0.940) 1.916 6.793 ( 4.496 0.000 -4.240) 6.179 6.896 ( -1.655 0.000 12.604) 12.712 7.192 ( 14.815 0.000 -10.910) 18.399 8.361 ( 7.199 0.000 4.985) 8.756 8.571 ( 8.775 0.000 1.242) 8.862 8.725 ( -4.055 0.000 2.713) 4.879 8.937 ( -4.731 0.000 5.280) 7.089 9.105 ( 7.159 0.000 -1.584) 7.333 9.264 ( 0.157 0.000 -3.783) 3.786 9.383 ( -1.535 0.000 -2.274) 2.744 9.458 ( 5.005 0.000 -2.670) 5.673 9.581 ( 6.777 0.000 -8.472) 10.849 9.632 ( -5.302 0.000 -2.901) 6.044 9.750 ( 2.722 0.000 1.442) 3.080 9.978 ( -3.499 0.000 2.865) 4.522 10.040 ( -3.257 0.000 1.234) 3.483 10.132 ( -2.455 0.000 1.346) 2.800 10.158 ( -2.289 0.000 4.372) 4.935 10.269 ( -2.150 0.000 5.512) 5.916 10.742 ( -4.799 0.000 -1.376) 4.992 10.839 ( -0.322 0.000 -0.288) 0.432 11.015 ( -5.140 0.000 -5.901) 7.826 11.137 ( -9.264 0.000 -0.523) 9.278 12.399 ( 2.002 0.000 -1.425) 2.457 12.418 ( 4.238 0.000 0.887) 4.330 12.607 ( 5.002 0.000 7.522) 9.033 12.778 ( 1.707 0.000 -3.467) 3.864 18.926 ( -3.712 0.000 3.526) 5.120 18.974 ( -1.864 0.000 3.054) 3.578 19.007 ( 2.105 0.000 -3.434) 4.028 19.168 ( 0.056 0.000 -6.783) 6.784 19.300 ( -4.764 0.000 1.280) 4.933 19.402 ( -1.591 0.000 -0.162) 1.599 19.402 ( -0.776 0.000 2.914) 3.015 19.523 ( -1.836 0.000 0.535) 1.913 19.848 ( 2.316 0.000 0.892) 2.482 19.924 ( 2.514 0.000 -0.130) 2.517 19.939 ( 1.024 0.000 2.434) 2.641 20.051 ( 1.478 0.000 -0.275) 1.504 20.381 ( 1.233 0.000 -0.937) 1.549 20.411 ( 1.300 0.000 0.238) 1.321 20.483 ( 2.589 0.000 -0.579) 2.653 20.487 ( 2.244 0.000 0.305) 2.265 ======================= Grid point 94 (47/84) ======================= q-point: ( 0.44 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 1.897 0.000 10.766) 10.932 0.956 ( 4.534 0.000 0.094) 4.535 1.020 ( -0.894 0.000 -5.002) 5.081 1.195 ( 7.730 0.000 -4.492) 8.940 1.219 ( 0.741 0.000 -4.343) 4.406 1.243 ( -0.864 0.000 -2.189) 2.354 1.361 ( 4.068 0.000 -2.747) 4.908 1.491 ( -3.248 0.000 -1.994) 3.811 1.523 ( 0.066 0.000 0.281) 0.288 1.576 ( -0.722 0.000 3.711) 3.780 1.670 ( -5.240 0.000 -4.610) 6.979 1.671 ( -0.617 0.000 2.590) 2.663 1.783 ( -1.806 0.000 -1.290) 2.219 1.848 ( -2.290 0.000 -0.789) 2.423 1.895 ( -0.334 0.000 1.004) 1.059 1.960 ( 2.538 0.000 1.938) 3.193 2.005 ( 4.172 0.000 4.894) 6.430 2.046 ( 1.622 0.000 1.738) 2.377 2.063 ( 0.842 0.000 1.254) 1.510 2.113 ( 2.078 0.000 0.996) 2.305 2.149 ( 0.191 0.000 2.776) 2.783 2.233 ( 0.786 0.000 4.602) 4.669 2.243 ( 2.725 0.000 4.988) 5.684 2.273 ( -0.993 0.000 -0.859) 1.313 2.284 ( -1.951 0.000 -4.029) 4.477 2.360 ( 2.653 0.000 -1.113) 2.877 2.420 ( 5.234 0.000 0.088) 5.235 2.422 ( -1.467 0.000 4.606) 4.834 2.503 ( -1.732 0.000 -2.305) 2.884 2.520 ( -0.166 0.000 2.386) 2.391 2.582 ( 0.633 0.000 -2.315) 2.400 2.643 ( 3.350 0.000 -3.778) 5.049 2.799 ( -1.125 0.000 -2.738) 2.960 2.846 ( 0.047 0.000 0.787) 0.789 2.890 ( 6.665 0.000 -2.177) 7.012 2.894 ( -0.806 0.000 -1.711) 1.891 2.910 ( -0.357 0.000 -0.754) 0.834 3.056 ( 1.841 0.000 0.487) 1.905 3.061 ( 0.241 0.000 -4.382) 4.389 3.136 ( 1.834 0.000 0.431) 1.884 3.171 ( 5.354 0.000 -0.018) 5.354 3.245 ( -1.044 0.000 2.758) 2.949 3.378 ( 2.091 0.000 -4.751) 5.191 3.416 ( -2.037 0.000 -0.251) 2.052 3.614 ( 2.878 0.000 2.803) 4.018 3.622 ( -4.364 0.000 -3.190) 5.406 3.683 ( -5.556 0.000 -3.954) 6.819 3.728 ( -10.434 0.000 -4.749) 11.464 3.779 ( 4.363 0.000 -4.387) 6.187 3.797 ( -1.312 0.000 -1.013) 1.658 3.930 ( 2.234 0.000 7.280) 7.615 4.115 ( 3.090 0.000 1.996) 3.679 4.122 ( -1.213 0.000 1.151) 1.672 4.125 ( -7.018 0.000 3.243) 7.731 4.177 ( -4.260 0.000 -0.035) 4.260 4.265 ( 1.587 0.000 0.163) 1.595 4.346 ( 1.663 0.000 4.089) 4.414 4.481 ( -4.139 0.000 -2.311) 4.740 4.524 ( 5.086 0.000 -2.888) 5.849 4.552 ( 2.072 0.000 1.528) 2.575 4.665 ( 0.751 0.000 -1.618) 1.784 4.770 ( -0.001 0.000 2.996) 2.996 4.877 ( 1.376 0.000 1.429) 1.983 4.892 ( 0.010 0.000 3.728) 3.728 4.945 ( -2.021 0.000 3.126) 3.723 4.983 ( -1.742 0.000 -2.242) 2.839 5.248 ( 1.718 0.000 -3.800) 4.171 5.316 ( -2.577 0.000 -7.354) 7.793 5.594 ( -1.296 0.000 1.284) 1.825 5.600 ( -0.916 0.000 0.350) 0.980 5.689 ( 5.244 0.000 1.165) 5.372 5.729 ( 5.561 0.000 1.000) 5.651 5.905 ( -2.812 0.000 2.361) 3.672 5.920 ( -0.994 0.000 -2.086) 2.311 6.477 ( -3.869 0.000 6.144) 7.261 6.529 ( -0.984 0.000 -0.197) 1.003 6.642 ( -0.592 0.000 2.268) 2.344 6.836 ( 4.196 0.000 -2.558) 4.914 6.982 ( -5.104 0.000 10.914) 12.049 7.321 ( 13.404 0.000 -9.291) 16.309 8.512 ( 4.277 0.000 3.813) 5.730 8.660 ( -7.909 0.000 3.596) 8.688 8.682 ( 5.059 0.000 -1.617) 5.311 8.834 ( -8.358 0.000 -1.409) 8.476 9.215 ( 4.731 0.000 -0.027) 4.731 9.262 ( 4.763 0.000 -2.580) 5.417 9.400 ( 1.714 0.000 1.896) 2.556 9.476 ( 3.015 0.000 -4.136) 5.118 9.506 ( -5.543 0.000 -1.617) 5.775 9.637 ( 8.245 0.000 -7.718) 11.293 9.825 ( 3.075 0.000 2.473) 3.946 9.934 ( -4.140 0.000 0.940) 4.246 9.993 ( -3.101 0.000 2.148) 3.772 10.089 ( -3.993 0.000 1.103) 4.142 10.185 ( 0.404 0.000 3.661) 3.683 10.257 ( -4.736 0.000 3.331) 5.790 10.684 ( -1.000 0.000 0.822) 1.294 10.835 ( 2.166 0.000 -3.252) 3.907 10.931 ( 1.764 0.000 -4.029) 4.398 10.969 ( -8.275 0.000 -1.280) 8.374 12.415 ( 1.404 0.000 -0.699) 1.569 12.455 ( -0.323 0.000 -0.693) 0.765 12.729 ( -1.457 0.000 6.999) 7.149 12.813 ( 5.236 0.000 -0.602) 5.271 18.899 ( -3.830 0.000 2.971) 4.847 18.973 ( -2.258 0.000 2.824) 3.616 19.015 ( 3.610 0.000 -3.571) 5.078 19.109 ( 1.590 0.000 -5.476) 5.702 19.268 ( -1.596 0.000 2.522) 2.984 19.372 ( -0.498 0.000 -1.396) 1.482 19.434 ( -0.073 0.000 3.078) 3.079 19.503 ( -1.117 0.000 0.275) 1.150 19.873 ( -0.062 0.000 0.536) 0.540 19.935 ( 0.205 0.000 -1.439) 1.453 19.975 ( -0.080 0.000 2.401) 2.403 20.061 ( 0.538 0.000 -0.856) 1.011 20.397 ( 1.269 0.000 -0.240) 1.291 20.422 ( -0.067 0.000 -0.246) 0.255 20.522 ( 1.906 0.000 0.214) 1.918 20.524 ( 0.771 0.000 0.844) 1.143 ======================= Grid point 95 (48/84) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 0.329 0.000 9.529) 9.535 0.944 ( -1.762 0.000 -5.357) 5.639 1.028 ( 1.439 0.000 2.151) 2.588 1.106 ( -3.753 0.000 -6.853) 7.814 1.143 ( -6.796 0.000 -0.533) 6.817 1.239 ( -3.295 0.000 0.541) 3.339 1.301 ( -6.783 0.000 -5.347) 8.637 1.449 ( 6.381 0.000 -0.304) 6.388 1.553 ( 2.224 0.000 1.328) 2.590 1.585 ( -0.752 0.000 -2.634) 2.740 1.654 ( 2.629 0.000 2.521) 3.643 1.691 ( 0.551 0.000 0.832) 0.997 1.764 ( 0.156 0.000 0.991) 1.004 1.780 ( -2.575 0.000 -0.849) 2.712 1.916 ( 0.267 0.000 2.512) 2.526 1.975 ( -0.668 0.000 -1.137) 1.319 2.041 ( -1.557 0.000 -1.051) 1.878 2.065 ( -0.738 0.000 0.738) 1.044 2.117 ( 2.430 0.000 2.198) 3.277 2.154 ( -4.663 0.000 -3.193) 5.652 2.174 ( 0.491 0.000 3.479) 3.513 2.200 ( -1.450 0.000 0.136) 1.456 2.243 ( -0.263 0.000 4.134) 4.143 2.335 ( 0.398 0.000 4.337) 4.355 2.338 ( -0.356 0.000 3.789) 3.806 2.362 ( 1.022 0.000 -4.098) 4.224 2.399 ( -1.460 0.000 -2.352) 2.768 2.427 ( 0.104 0.000 -2.909) 2.911 2.466 ( -2.517 0.000 1.231) 2.802 2.568 ( 3.342 0.000 0.740) 3.423 2.649 ( -1.567 0.000 -2.534) 2.979 2.671 ( 2.718 0.000 1.151) 2.952 2.744 ( 2.398 0.000 0.396) 2.430 2.847 ( -2.459 0.000 -1.160) 2.718 2.855 ( -0.296 0.000 -2.074) 2.095 2.873 ( 0.037 0.000 0.070) 0.080 2.947 ( -6.069 0.000 -7.055) 9.306 2.973 ( 1.259 0.000 -0.858) 1.523 3.087 ( 0.523 0.000 1.242) 1.348 3.150 ( 0.858 0.000 -2.495) 2.638 3.224 ( -0.221 0.000 3.678) 3.684 3.239 ( -7.704 0.000 0.414) 7.716 3.305 ( -5.025 0.000 -2.171) 5.474 3.411 ( 3.372 0.000 -2.905) 4.451 3.451 ( -2.614 0.000 2.834) 3.855 3.569 ( 1.916 0.000 -2.567) 3.203 3.581 ( -3.869 0.000 2.634) 4.681 3.684 ( 1.432 0.000 1.474) 2.056 3.766 ( -3.923 0.000 -1.279) 4.126 3.812 ( 1.949 0.000 0.626) 2.047 4.032 ( 1.500 0.000 -0.985) 1.795 4.044 ( -0.532 0.000 -3.402) 3.443 4.078 ( 1.490 0.000 4.171) 4.429 4.163 ( -2.877 0.000 3.511) 4.540 4.223 ( 6.946 0.000 1.093) 7.031 4.270 ( -3.194 0.000 1.184) 3.406 4.414 ( 1.363 0.000 -2.359) 2.724 4.458 ( 3.651 0.000 2.287) 4.308 4.551 ( -3.564 0.000 -0.873) 3.669 4.619 ( 6.297 0.000 -0.776) 6.345 4.714 ( 3.803 0.000 1.198) 3.988 4.722 ( -4.300 0.000 -4.017) 5.884 4.936 ( 0.436 0.000 0.664) 0.794 4.949 ( 2.645 0.000 3.623) 4.486 4.959 ( -0.223 0.000 4.304) 4.310 4.970 ( 1.528 0.000 1.196) 1.941 5.170 ( -3.906 0.000 -6.301) 7.414 5.231 ( 2.150 0.000 -4.761) 5.224 5.588 ( -2.139 0.000 2.352) 3.179 5.590 ( -1.264 0.000 1.888) 2.272 5.704 ( -6.183 0.000 -2.112) 6.534 5.768 ( 3.494 0.000 -0.667) 3.557 5.874 ( -3.104 0.000 0.799) 3.205 5.945 ( 3.877 0.000 0.137) 3.879 6.494 ( -1.131 0.000 3.464) 3.644 6.505 ( -1.963 0.000 0.562) 2.042 6.654 ( -3.568 0.000 5.762) 6.777 6.854 ( 2.211 0.000 -4.266) 4.805 6.965 ( -9.980 0.000 8.055) 12.825 7.415 ( 9.721 0.000 -9.491) 13.586 8.551 ( -8.301 0.000 4.311) 9.354 8.631 ( 3.394 0.000 4.874) 5.939 8.664 ( -6.026 0.000 -2.413) 6.491 8.754 ( 3.146 0.000 -0.070) 3.147 9.204 ( -5.164 0.000 -1.856) 5.487 9.347 ( 5.992 0.000 -1.064) 6.086 9.380 ( -2.229 0.000 0.944) 2.421 9.460 ( -1.878 0.000 0.363) 1.913 9.481 ( 3.329 0.000 -4.056) 5.248 9.617 ( -0.659 0.000 -7.778) 7.806 9.861 ( -4.680 0.000 -0.526) 4.710 9.918 ( 3.628 0.000 2.636) 4.485 10.029 ( 2.944 0.000 3.445) 4.532 10.047 ( -0.827 0.000 0.977) 1.280 10.208 ( -4.191 0.000 1.974) 4.632 10.257 ( 2.755 0.000 3.769) 4.668 10.718 ( 2.770 0.000 1.507) 3.153 10.824 ( -0.153 0.000 -3.555) 3.558 10.852 ( -0.974 0.000 -2.278) 2.477 10.965 ( 5.729 0.000 -1.431) 5.905 12.416 ( -2.372 0.000 -0.693) 2.471 12.433 ( 0.909 0.000 0.205) 0.932 12.730 ( -5.324 0.000 4.127) 6.736 12.915 ( 6.725 0.000 -1.189) 6.829 18.868 ( -3.727 0.000 3.101) 4.848 18.963 ( -2.628 0.000 2.608) 3.703 19.045 ( 4.865 0.000 -4.032) 6.319 19.083 ( 1.084 0.000 -3.173) 3.353 19.304 ( 2.207 0.000 2.244) 3.148 19.357 ( 1.121 0.000 -2.011) 2.302 19.473 ( 0.878 0.000 2.345) 2.504 19.490 ( -0.410 0.000 -0.182) 0.448 19.872 ( -0.879 0.000 1.144) 1.442 19.916 ( -0.125 0.000 -1.311) 1.316 19.995 ( -0.978 0.000 2.526) 2.709 20.048 ( -0.451 0.000 -1.308) 1.384 20.404 ( -1.388 0.000 -0.549) 1.493 20.413 ( 0.553 0.000 0.137) 0.570 20.525 ( -1.392 0.000 0.195) 1.405 20.545 ( 0.382 0.000 0.139) 0.407 ======================= Grid point 96 (49/84) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -9.484 0.000 -6.026) 11.236 0.832 ( -8.367 0.000 4.944) 9.719 0.947 ( -4.662 0.000 -6.784) 8.232 0.974 ( -5.239 0.000 3.552) 6.330 1.116 ( -6.828 0.000 1.834) 7.070 1.135 ( 2.411 0.000 1.834) 3.029 1.261 ( 0.909 0.000 0.717) 1.158 1.522 ( 1.585 0.000 0.205) 1.598 1.543 ( -1.553 0.000 -2.108) 2.618 1.597 ( -0.443 0.000 1.709) 1.765 1.670 ( -1.660 0.000 0.488) 1.731 1.738 ( 4.883 0.000 -0.918) 4.968 1.791 ( 1.986 0.000 1.412) 2.437 1.792 ( -3.298 0.000 3.730) 4.979 1.901 ( -8.754 0.000 0.414) 8.764 1.934 ( -2.386 0.000 -0.775) 2.509 1.992 ( 0.034 0.000 -2.241) 2.241 2.041 ( -5.791 0.000 -0.722) 5.836 2.046 ( -4.089 0.000 1.736) 4.443 2.117 ( -2.240 0.000 -0.221) 2.251 2.164 ( -7.381 0.000 -3.682) 8.249 2.167 ( -5.345 0.000 -2.827) 6.047 2.204 ( 0.358 0.000 1.925) 1.958 2.225 ( -6.169 0.000 1.511) 6.352 2.281 ( -5.440 0.000 -3.488) 6.462 2.369 ( 1.798 0.000 0.211) 1.811 2.388 ( -3.253 0.000 -3.884) 5.066 2.480 ( 4.112 0.000 4.025) 5.754 2.480 ( 4.733 0.000 3.973) 6.180 2.546 ( 0.738 0.000 0.984) 1.229 2.606 ( 1.054 0.000 -3.060) 3.237 2.638 ( 2.722 0.000 -5.089) 5.771 2.761 ( 0.131 0.000 -3.739) 3.741 2.852 ( -0.454 0.000 0.459) 0.646 2.855 ( 0.636 0.000 0.154) 0.654 2.901 ( -2.090 0.000 -1.412) 2.522 2.906 ( 1.634 0.000 -0.908) 1.870 2.936 ( 2.199 0.000 6.075) 6.461 3.043 ( -7.118 0.000 -3.795) 8.066 3.083 ( -5.606 0.000 -1.138) 5.720 3.134 ( 2.106 0.000 0.460) 2.156 3.193 ( -5.278 0.000 1.649) 5.530 3.273 ( -1.076 0.000 2.441) 2.668 3.424 ( 0.314 0.000 0.806) 0.865 3.513 ( -3.689 0.000 6.430) 7.413 3.574 ( -1.450 0.000 2.637) 3.009 3.660 ( 3.750 0.000 1.214) 3.942 3.698 ( -2.202 0.000 1.464) 2.644 3.716 ( 2.279 0.000 0.859) 2.436 3.842 ( 0.243 0.000 1.911) 1.926 4.030 ( 1.501 0.000 -2.482) 2.901 4.071 ( 0.434 0.000 3.067) 3.097 4.165 ( -1.882 0.000 4.674) 5.039 4.168 ( 5.346 0.000 -0.815) 5.408 4.253 ( 3.096 0.000 0.431) 3.125 4.361 ( 7.310 0.000 -0.686) 7.342 4.400 ( -2.901 0.000 -0.852) 3.024 4.433 ( -6.624 0.000 -2.931) 7.244 4.505 ( 3.510 0.000 -3.580) 5.014 4.621 ( -0.143 0.000 -2.209) 2.214 4.709 ( 5.920 0.000 -1.387) 6.080 4.740 ( -1.696 0.000 1.127) 2.036 4.965 ( 1.679 0.000 -2.608) 3.102 4.976 ( 0.812 0.000 -1.222) 1.468 4.990 ( 1.694 0.000 -2.540) 3.053 5.070 ( 5.227 0.000 1.360) 5.401 5.091 ( -1.657 0.000 3.711) 4.064 5.218 ( 1.093 0.000 -0.310) 1.136 5.543 ( -10.468 0.000 1.462) 10.570 5.573 ( -3.166 0.000 2.411) 3.980 5.595 ( -0.967 0.000 1.143) 1.497 5.780 ( 0.491 0.000 -5.311) 5.333 5.839 ( -1.656 0.000 3.070) 3.488 6.001 ( 3.028 0.000 -1.084) 3.216 6.473 ( -3.545 0.000 2.102) 4.121 6.506 ( -1.244 0.000 1.760) 2.155 6.649 ( -5.105 0.000 5.627) 7.598 6.812 ( 0.302 0.000 -5.891) 5.899 6.840 ( -13.491 0.000 6.186) 14.841 7.419 ( 5.391 0.000 -11.675) 12.860 8.482 ( -6.306 0.000 5.590) 8.427 8.543 ( -4.951 0.000 -2.643) 5.612 8.769 ( 4.082 0.000 6.608) 7.767 8.796 ( -0.155 0.000 0.738) 0.754 9.099 ( -4.455 0.000 2.083) 4.917 9.320 ( -6.657 0.000 2.608) 7.150 9.370 ( 1.305 0.000 -6.567) 6.695 9.443 ( -5.473 0.000 -6.456) 8.464 9.471 ( 4.797 0.000 -2.478) 5.400 9.548 ( 4.610 0.000 0.833) 4.684 9.764 ( -5.079 0.000 -0.801) 5.141 9.998 ( 2.443 0.000 2.050) 3.189 10.103 ( 4.175 0.000 2.404) 4.818 10.116 ( 2.044 0.000 2.311) 3.085 10.165 ( -3.047 0.000 2.633) 4.028 10.352 ( 3.377 0.000 1.694) 3.778 10.791 ( -1.930 0.000 2.963) 3.536 10.797 ( 4.235 0.000 0.998) 4.351 10.841 ( 4.995 0.000 -7.371) 8.904 11.093 ( 9.221 0.000 0.969) 9.271 12.370 ( -2.533 0.000 0.182) 2.540 12.435 ( -1.701 0.000 -0.073) 1.702 12.675 ( -4.653 0.000 2.897) 5.481 12.979 ( 4.943 0.000 -7.115) 8.663 18.856 ( -2.516 0.000 4.560) 5.208 18.949 ( -2.614 0.000 3.135) 4.082 19.062 ( 1.121 0.000 -2.768) 2.986 19.085 ( 4.206 0.000 -3.412) 5.416 19.365 ( 2.547 0.000 -1.869) 3.159 19.385 ( 4.618 0.000 0.899) 4.705 19.483 ( 0.304 0.000 -0.839) 0.893 19.518 ( 1.914 0.000 1.153) 2.234 19.872 ( -1.560 0.000 2.152) 2.658 19.905 ( 0.258 0.000 -1.056) 1.087 20.004 ( -1.393 0.000 2.500) 2.862 20.017 ( -1.144 0.000 -1.459) 1.854 20.367 ( -1.994 0.000 -0.396) 2.033 20.415 ( -0.523 0.000 -0.023) 0.524 20.483 ( -3.077 0.000 -0.482) 3.114 20.534 ( -1.234 0.000 -1.091) 1.647 ======================= Grid point 97 (50/84) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -11.265 0.000 1.454) 11.359 0.638 ( -16.463 0.000 5.200) 17.265 0.793 ( -2.875 0.000 -6.782) 7.366 1.003 ( -0.589 0.000 4.528) 4.566 1.058 ( -3.848 0.000 2.659) 4.678 1.181 ( 0.185 0.000 0.749) 0.772 1.314 ( 1.247 0.000 4.134) 4.318 1.440 ( -22.956 0.000 5.650) 23.641 1.486 ( -2.939 0.000 -0.217) 2.947 1.535 ( -2.863 0.000 -0.700) 2.947 1.601 ( -3.150 0.000 -1.445) 3.466 1.636 ( -2.436 0.000 -0.315) 2.457 1.771 ( -1.585 0.000 1.333) 2.071 1.801 ( -6.224 0.000 -0.066) 6.224 1.872 ( 1.666 0.000 -1.321) 2.127 1.889 ( -6.361 0.000 1.241) 6.481 1.901 ( -1.619 0.000 -1.464) 2.183 1.924 ( -3.921 0.000 -1.468) 4.186 1.975 ( -1.019 0.000 -3.814) 3.947 2.081 ( -0.545 0.000 -0.335) 0.640 2.088 ( -1.609 0.000 0.585) 1.712 2.132 ( -0.135 0.000 -0.105) 0.171 2.161 ( -2.287 0.000 1.264) 2.613 2.186 ( -4.611 0.000 2.263) 5.136 2.237 ( 0.761 0.000 1.551) 1.728 2.342 ( 1.476 0.000 -0.479) 1.552 2.411 ( 1.452 0.000 2.029) 2.495 2.519 ( -0.602 0.000 1.018) 1.183 2.531 ( -3.437 0.000 -2.568) 4.290 2.614 ( 5.829 0.000 -0.665) 5.867 2.633 ( 4.980 0.000 -6.445) 8.145 2.658 ( 4.267 0.000 -2.359) 4.875 2.771 ( 0.369 0.000 2.018) 2.051 2.816 ( -1.861 0.000 -1.770) 2.568 2.844 ( -2.282 0.000 -1.735) 2.866 2.867 ( -0.757 0.000 0.387) 0.850 2.887 ( 0.704 0.000 0.576) 0.909 2.981 ( 1.829 0.000 1.964) 2.683 2.987 ( -2.362 0.000 1.234) 2.665 3.047 ( 2.425 0.000 1.934) 3.102 3.146 ( -1.752 0.000 3.414) 3.837 3.217 ( 4.037 0.000 2.105) 4.553 3.266 ( -3.014 0.000 1.930) 3.579 3.391 ( -3.484 0.000 -1.422) 3.763 3.458 ( -6.534 0.000 3.265) 7.304 3.591 ( 0.063 0.000 2.458) 2.459 3.606 ( -2.921 0.000 -4.262) 5.167 3.702 ( -9.176 0.000 -2.310) 9.463 3.803 ( 1.754 0.000 0.305) 1.780 3.825 ( 4.279 0.000 2.767) 5.096 3.952 ( -6.093 0.000 -7.302) 9.510 4.077 ( -3.072 0.000 2.157) 3.753 4.221 ( 0.591 0.000 6.134) 6.162 4.279 ( 4.215 0.000 -0.964) 4.324 4.291 ( -1.065 0.000 0.245) 1.093 4.326 ( 5.585 0.000 0.338) 5.596 4.416 ( 2.310 0.000 5.660) 6.113 4.493 ( 6.592 0.000 -1.536) 6.769 4.517 ( 1.242 0.000 -3.011) 3.257 4.611 ( 1.055 0.000 -0.320) 1.102 4.745 ( 0.658 0.000 2.473) 2.559 4.785 ( 4.585 0.000 -2.244) 5.105 4.911 ( 2.730 0.000 -6.348) 6.910 4.977 ( 1.500 0.000 -3.077) 3.423 5.025 ( 1.379 0.000 2.147) 2.552 5.103 ( 3.084 0.000 -4.891) 5.782 5.138 ( -0.193 0.000 4.697) 4.701 5.311 ( 3.294 0.000 5.423) 6.344 5.399 ( -9.566 0.000 5.031) 10.809 5.531 ( -3.284 0.000 -0.198) 3.290 5.558 ( -4.078 0.000 -2.049) 4.564 5.687 ( -1.604 0.000 -6.564) 6.757 5.881 ( 0.301 0.000 4.866) 4.875 6.034 ( 2.740 0.000 -1.140) 2.968 6.437 ( -4.461 0.000 3.816) 5.871 6.497 ( -3.197 0.000 3.608) 4.821 6.607 ( -4.512 0.000 1.522) 4.762 6.682 ( -13.126 0.000 7.647) 15.191 6.742 ( -0.078 0.000 -5.338) 5.338 7.337 ( 3.229 0.000 -13.969) 14.337 8.405 ( -5.229 0.000 -5.828) 7.830 8.439 ( -5.431 0.000 2.231) 5.871 8.769 ( -2.621 0.000 0.690) 2.710 8.886 ( 0.775 0.000 3.964) 4.039 9.094 ( -4.757 0.000 7.214) 8.641 9.265 ( -2.092 0.000 2.355) 3.150 9.273 ( -0.521 0.000 -9.582) 9.596 9.335 ( -0.662 0.000 1.316) 1.473 9.550 ( 8.075 0.000 -3.384) 8.755 9.642 ( 2.433 0.000 2.315) 3.359 9.684 ( -2.944 0.000 0.185) 2.950 10.053 ( 1.093 0.000 1.877) 2.173 10.108 ( -0.748 0.000 -1.862) 2.007 10.153 ( 0.538 0.000 0.442) 0.696 10.303 ( 7.551 0.000 4.804) 8.950 10.385 ( 0.387 0.000 -1.625) 1.671 10.795 ( 0.116 0.000 -0.905) 0.912 10.873 ( 3.491 0.000 0.084) 3.492 10.909 ( 7.321 0.000 7.549) 10.516 11.286 ( 10.553 0.000 1.243) 10.626 12.332 ( -2.458 0.000 0.653) 2.544 12.355 ( -5.978 0.000 -1.154) 6.088 12.660 ( -1.745 0.000 2.998) 3.469 12.837 ( -5.696 0.000 -20.241) 21.027 18.893 ( -0.401 0.000 3.980) 4.000 18.979 ( 0.304 0.000 8.644) 8.650 19.047 ( 0.378 0.000 -1.627) 1.670 19.117 ( 4.461 0.000 -3.986) 5.982 19.398 ( 2.987 0.000 -0.903) 3.121 19.471 ( 4.925 0.000 -0.783) 4.987 19.481 ( 1.241 0.000 -1.804) 2.189 19.565 ( 2.615 0.000 0.035) 2.615 19.854 ( -3.435 0.000 1.357) 3.693 19.875 ( -1.769 0.000 -4.126) 4.490 19.974 ( -1.632 0.000 -2.061) 2.629 20.004 ( -1.722 0.000 1.527) 2.302 20.335 ( -1.554 0.000 0.438) 1.615 20.396 ( -1.262 0.000 -0.467) 1.346 20.420 ( -3.286 0.000 -0.023) 3.286 20.468 ( -3.455 0.000 -2.949) 4.543 ======================= Grid point 98 (51/84) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -4.783 0.000 13.716) 14.526 0.516 ( -8.611 0.000 13.641) 16.132 0.714 ( 2.483 0.000 -5.161) 5.727 1.031 ( -2.694 0.000 2.131) 3.435 1.034 ( -7.179 0.000 17.806) 19.199 1.135 ( -5.778 0.000 1.578) 5.990 1.248 ( -8.744 0.000 6.549) 10.924 1.350 ( -4.095 0.000 4.305) 5.941 1.449 ( -0.663 0.000 -2.514) 2.600 1.484 ( -2.515 0.000 -2.823) 3.781 1.516 ( -0.775 0.000 -5.780) 5.831 1.596 ( -1.924 0.000 -0.042) 1.925 1.643 ( -5.469 0.000 3.744) 6.628 1.757 ( -0.954 0.000 0.646) 1.152 1.787 ( -2.125 0.000 -5.204) 5.621 1.876 ( -2.127 0.000 4.914) 5.354 1.894 ( 0.466 0.000 -1.342) 1.421 1.900 ( -0.498 0.000 -3.789) 3.822 1.928 ( -0.097 0.000 1.364) 1.368 2.067 ( -1.321 0.000 -0.351) 1.367 2.072 ( -3.085 0.000 0.249) 3.095 2.074 ( -0.363 0.000 0.159) 0.396 2.133 ( -1.510 0.000 1.541) 2.157 2.254 ( -0.371 0.000 -0.824) 0.904 2.257 ( 2.653 0.000 4.264) 5.022 2.377 ( -0.853 0.000 2.683) 2.815 2.405 ( -1.432 0.000 -4.258) 4.493 2.484 ( -0.327 0.000 3.829) 3.843 2.521 ( 1.971 0.000 -0.771) 2.116 2.638 ( 4.812 0.000 -6.890) 8.404 2.660 ( 0.105 0.000 -2.161) 2.163 2.695 ( 2.604 0.000 -0.331) 2.625 2.738 ( -1.361 0.000 -4.019) 4.243 2.776 ( 0.697 0.000 -1.672) 1.812 2.784 ( -3.107 0.000 0.118) 3.109 2.882 ( -0.483 0.000 1.795) 1.859 2.899 ( 0.666 0.000 -2.706) 2.787 2.974 ( -0.936 0.000 3.537) 3.659 2.974 ( 0.503 0.000 -1.806) 1.875 3.145 ( -2.621 0.000 -2.538) 3.649 3.158 ( -2.604 0.000 2.793) 3.819 3.240 ( -4.049 0.000 -1.503) 4.319 3.260 ( 2.461 0.000 -2.503) 3.510 3.344 ( 3.303 0.000 -1.053) 3.467 3.400 ( -4.479 0.000 3.523) 5.699 3.428 ( -7.611 0.000 -8.674) 11.540 3.515 ( -3.700 0.000 -2.249) 4.330 3.670 ( 3.167 0.000 2.894) 4.291 3.747 ( -2.184 0.000 -4.688) 5.172 3.855 ( 3.042 0.000 -1.900) 3.587 3.900 ( 1.790 0.000 1.422) 2.286 4.035 ( -4.998 0.000 3.004) 5.831 4.270 ( -3.355 0.000 2.511) 4.190 4.301 ( 1.818 0.000 -2.041) 2.733 4.351 ( 4.229 0.000 0.457) 4.254 4.405 ( 1.641 0.000 -0.260) 1.661 4.488 ( -1.408 0.000 -2.740) 3.080 4.498 ( -0.235 0.000 1.996) 2.010 4.522 ( 0.982 0.000 3.420) 3.558 4.696 ( 5.000 0.000 -1.979) 5.378 4.800 ( 1.650 0.000 2.187) 2.739 4.847 ( 5.820 0.000 -0.413) 5.835 4.927 ( 5.247 0.000 -3.484) 6.298 4.983 ( 1.733 0.000 -0.019) 1.733 5.068 ( 0.506 0.000 2.719) 2.765 5.128 ( 3.487 0.000 0.444) 3.515 5.185 ( -0.451 0.000 3.842) 3.868 5.270 ( -8.353 0.000 3.416) 9.024 5.370 ( -9.330 0.000 -5.738) 10.953 5.445 ( -2.485 0.000 -5.895) 6.397 5.457 ( 2.384 0.000 3.980) 4.639 5.608 ( -1.013 0.000 -2.064) 2.299 5.953 ( 0.867 0.000 5.005) 5.079 6.066 ( 1.908 0.000 -0.747) 2.049 6.418 ( -3.973 0.000 5.265) 6.595 6.492 ( -4.298 0.000 6.884) 8.116 6.547 ( -4.121 0.000 2.411) 4.774 6.593 ( -6.547 0.000 5.413) 8.495 6.703 ( 2.048 0.000 -3.497) 4.053 7.217 ( 3.593 0.000 -15.468) 15.879 8.246 ( -2.722 0.000 -8.171) 8.613 8.316 ( -6.506 0.000 -4.877) 8.131 8.747 ( -1.787 0.000 2.205) 2.838 8.915 ( 0.005 0.000 1.853) 1.853 9.070 ( -6.269 0.000 5.507) 8.345 9.145 ( -1.236 0.000 -8.694) 8.781 9.302 ( 1.456 0.000 3.215) 3.530 9.430 ( 3.638 0.000 5.352) 6.472 9.647 ( 6.860 0.000 -3.324) 7.623 9.652 ( -1.415 0.000 1.020) 1.745 9.707 ( 1.429 0.000 3.614) 3.887 10.073 ( -1.296 0.000 1.216) 1.777 10.076 ( -1.076 0.000 -1.409) 1.773 10.154 ( 0.659 0.000 -1.421) 1.567 10.257 ( -8.444 0.000 -8.765) 12.171 10.344 ( -0.959 0.000 -3.513) 3.642 10.811 ( 0.439 0.000 2.105) 2.151 10.913 ( 1.672 0.000 -0.987) 1.942 11.344 ( 19.061 0.000 9.306) 21.211 11.444 ( 6.414 0.000 -1.158) 6.518 12.247 ( -4.317 0.000 -0.059) 4.318 12.302 ( -1.784 0.000 1.093) 2.092 12.386 ( -12.162 0.000 -6.834) 13.951 12.654 ( -2.893 0.000 1.769) 3.391 18.915 ( -0.995 0.000 2.828) 2.998 19.038 ( 0.512 0.000 -1.306) 1.403 19.146 ( 4.395 0.000 -3.834) 5.833 19.148 ( 2.828 0.000 4.581) 5.383 19.442 ( 2.387 0.000 1.448) 2.792 19.491 ( 2.739 0.000 -1.856) 3.309 19.536 ( 4.527 0.000 -1.881) 4.902 19.606 ( 2.153 0.000 -0.586) 2.231 19.695 ( -9.260 0.000 -3.799) 10.009 19.782 ( -4.945 0.000 -0.698) 4.994 19.916 ( -1.520 0.000 -2.293) 2.751 19.960 ( -4.088 0.000 -0.975) 4.203 20.329 ( -0.501 0.000 1.605) 1.681 20.363 ( -0.941 0.000 -0.050) 0.942 20.387 ( -1.264 0.000 1.295) 1.809 20.403 ( -1.524 0.000 0.709) 1.681 ======================= Grid point 99 (52/84) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -2.715 5.419 7.668) 9.774 0.689 ( 2.523 3.139 11.552) 12.234 0.772 ( 5.318 0.865 -0.978) 5.476 0.919 ( -1.604 -1.427 3.546) 4.146 1.010 ( -4.529 -0.416 -3.258) 5.595 1.198 ( -1.153 1.612 -3.175) 3.743 1.296 ( -2.378 -2.670 5.114) 6.240 1.354 ( -2.393 1.118 0.408) 2.672 1.402 ( -0.201 1.261 -5.038) 5.197 1.460 ( 1.809 -1.326 -2.831) 3.612 1.520 ( 2.770 -1.365 8.430) 8.977 1.598 ( 4.000 -5.311 6.274) 9.141 1.628 ( 3.372 5.544 9.731) 11.696 1.736 ( 4.241 -0.567 1.743) 4.620 1.776 ( -0.389 -0.277 1.287) 1.373 1.780 ( -1.711 -4.871 0.743) 5.216 1.857 ( 0.267 -2.432 -1.651) 2.951 1.914 ( -2.313 2.767 0.608) 3.657 1.958 ( 0.065 1.129 -0.630) 1.294 2.013 ( -1.058 -2.438 -0.537) 2.712 2.032 ( -0.442 1.777 2.299) 2.939 2.145 ( 0.056 4.195 -0.222) 4.201 2.205 ( -1.174 3.677 0.415) 3.883 2.290 ( 1.633 4.702 -2.131) 5.414 2.338 ( 1.392 1.113 -0.897) 1.996 2.359 ( -0.571 1.683 -0.091) 1.780 2.416 ( -0.047 4.204 2.683) 4.987 2.499 ( -0.279 -0.715 0.796) 1.106 2.558 ( -0.741 2.508 0.087) 2.616 2.609 ( -2.729 0.490 -0.538) 2.824 2.631 ( -1.058 -1.098 -1.971) 2.491 2.704 ( -0.501 2.853 -5.731) 6.421 2.730 ( 1.777 0.115 -0.218) 1.794 2.743 ( -0.067 0.276 1.523) 1.549 2.751 ( 0.156 -2.563 0.134) 2.571 2.840 ( 2.074 -2.317 -1.570) 3.483 2.868 ( -3.726 1.901 -2.621) 4.936 2.946 ( 3.988 1.444 -6.373) 7.655 3.038 ( -1.182 -0.088 1.225) 1.704 3.091 ( 3.639 3.394 -2.097) 5.400 3.142 ( -1.940 2.707 0.615) 3.387 3.212 ( -0.022 -2.196 -2.052) 3.006 3.240 ( -0.586 -1.736 -1.324) 2.260 3.286 ( 1.348 1.950 0.012) 2.371 3.322 ( -0.126 -1.850 0.566) 1.939 3.367 ( -2.988 -0.735 -4.743) 5.654 3.490 ( -1.541 -0.006 1.737) 2.322 3.585 ( 1.702 -4.942 -1.283) 5.382 3.744 ( -0.690 -2.534 0.768) 2.736 3.811 ( -0.213 -4.441 -3.072) 5.404 3.877 ( 1.204 -5.390 2.470) 6.050 3.983 ( -4.573 -3.616 -0.374) 5.842 4.082 ( -5.297 -6.977 7.152) 11.309 4.266 ( 0.879 -2.217 -2.753) 3.642 4.329 ( 1.723 -4.764 -0.187) 5.069 4.364 ( 1.340 -2.635 -2.910) 4.148 4.417 ( -3.517 -3.042 0.892) 4.735 4.481 ( 0.935 -1.812 -2.236) 3.026 4.635 ( 2.104 2.039 2.381) 3.776 4.707 ( -1.924 -0.966 -2.195) 3.075 4.791 ( 0.110 -4.460 1.420) 4.682 4.803 ( 0.838 -2.078 0.445) 2.284 4.957 ( 1.962 -0.797 -1.356) 2.515 4.991 ( -0.774 -2.556 -1.759) 3.198 5.174 ( -1.719 3.446 4.588) 5.990 5.207 ( -2.300 6.300 4.629) 8.149 5.257 ( 2.106 2.747 3.276) 4.766 5.320 ( 5.494 8.552 0.532) 10.179 5.365 ( -4.248 9.967 -0.608) 10.852 5.417 ( -0.644 5.956 -4.269) 7.357 5.609 ( 3.718 7.223 1.929) 8.350 5.673 ( -1.681 6.335 -1.413) 6.705 5.981 ( -0.019 -3.024 2.519) 3.935 6.044 ( 0.005 -3.174 -1.031) 3.337 6.355 ( -2.201 -7.521 3.557) 8.606 6.417 ( -1.099 -8.963 1.601) 9.171 6.492 ( -2.018 -2.704 7.181) 7.934 6.537 ( -1.361 -1.960 4.867) 5.420 6.814 ( 3.126 5.999 -1.349) 6.898 7.095 ( 4.499 -1.288 -13.926) 14.691 8.181 ( 0.346 4.013 -5.289) 6.648 8.217 ( -2.098 6.324 -5.958) 8.938 8.685 ( -0.965 -6.577 3.708) 7.612 8.830 ( -2.710 -6.400 -2.377) 7.345 9.092 ( -3.586 4.959 2.426) 6.583 9.147 ( 4.043 5.926 -1.661) 7.364 9.389 ( 0.634 1.044 3.265) 3.486 9.480 ( 0.480 0.548 0.142) 0.743 9.637 ( 3.238 -2.956 -0.810) 4.458 9.641 ( 0.048 -2.950 -1.178) 3.177 9.803 ( 1.255 -2.878 6.448) 7.171 9.869 ( -2.249 -6.094 1.644) 6.701 10.067 ( 0.622 -0.202 2.684) 2.763 10.131 ( -0.902 -0.258 2.275) 2.461 10.197 ( -4.163 3.594 -2.485) 6.035 10.279 ( -0.559 -0.442 -5.044) 5.094 10.845 ( -0.181 1.084 2.006) 2.287 10.923 ( 0.327 0.323 -2.076) 2.126 11.474 ( -4.020 2.515 -2.540) 5.379 11.483 ( -2.361 1.571 -2.423) 3.730 12.257 ( 2.999 2.287 1.847) 4.200 12.314 ( -2.052 3.799 -1.002) 4.432 12.524 ( 14.793 -2.289 1.655) 15.060 12.576 ( -4.927 -1.093 -1.279) 5.206 18.921 ( -1.148 -0.714 4.206) 4.418 18.991 ( -4.930 -2.626 5.686) 7.971 19.096 ( -0.138 1.876 -4.092) 4.503 19.184 ( 3.980 -0.190 -3.703) 5.439 19.488 ( -1.320 1.019 1.618) 2.323 19.538 ( 4.129 -0.257 -0.187) 4.141 19.579 ( -1.682 -0.084 -0.975) 1.946 19.594 ( -0.635 -0.617 -1.719) 1.934 19.690 ( 1.683 1.592 0.755) 2.437 19.763 ( -2.381 3.466 -3.724) 5.617 19.843 ( -0.757 -0.661 -1.036) 1.443 19.892 ( -0.146 0.192 -2.795) 2.805 20.354 ( -0.257 0.703 1.263) 1.468 20.376 ( 1.917 -0.001 0.226) 1.931 20.402 ( -0.279 0.175 0.801) 0.867 20.406 ( 0.888 0.342 0.689) 1.175 ======================= Grid point 100 (53/84) ======================= q-point: ( 0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -4.898 1.980 0.040) 5.284 0.795 ( 1.146 -1.202 -1.201) 2.050 0.921 ( 5.057 0.821 0.384) 5.137 0.980 ( 7.241 -1.710 3.937) 8.418 1.032 ( 3.982 2.162 9.725) 10.728 1.157 ( 3.352 2.550 -5.819) 7.183 1.324 ( 0.002 1.461 1.704) 2.244 1.345 ( 0.469 -1.072 2.978) 3.200 1.405 ( 5.082 1.109 -2.217) 5.654 1.463 ( 2.326 -1.432 -2.367) 3.615 1.607 ( 2.513 -4.291 2.309) 5.483 1.631 ( 1.692 -3.715 -2.224) 4.649 1.727 ( -2.100 -3.489 -0.435) 4.096 1.776 ( 1.681 -1.963 1.338) 2.910 1.789 ( 2.667 -3.625 -1.738) 4.825 1.844 ( 0.672 0.688 -0.366) 1.029 1.923 ( 0.645 -1.291 -0.555) 1.546 1.946 ( -0.191 -1.193 -0.542) 1.324 1.971 ( 0.490 0.589 -0.671) 1.018 2.014 ( 4.651 -0.700 2.550) 5.350 2.076 ( 1.475 1.965 0.652) 2.542 2.145 ( 3.708 4.337 4.034) 6.989 2.237 ( -0.996 4.593 1.676) 4.989 2.293 ( -0.442 4.835 -3.683) 6.093 2.321 ( -0.897 4.914 -0.400) 5.011 2.343 ( 3.816 5.581 -0.357) 6.770 2.435 ( -2.031 1.171 0.414) 2.381 2.495 ( 0.423 0.568 4.384) 4.441 2.514 ( -0.889 0.304 0.756) 1.206 2.574 ( 0.285 1.357 -0.079) 1.389 2.600 ( -1.382 3.030 -3.443) 4.790 2.655 ( -0.020 0.179 1.628) 1.638 2.713 ( 0.930 -0.564 0.696) 1.291 2.741 ( -1.508 2.626 -1.086) 3.218 2.777 ( 0.642 1.872 -3.601) 4.109 2.835 ( 3.238 -1.403 0.365) 3.547 2.888 ( 5.986 -0.271 -0.960) 6.069 2.959 ( 0.227 3.182 -3.588) 4.801 3.050 ( 2.189 -2.520 1.377) 3.610 3.115 ( -0.495 -0.648 -2.353) 2.490 3.157 ( 3.331 1.508 3.234) 4.881 3.224 ( 2.088 -0.215 -0.765) 2.234 3.254 ( -2.117 -0.700 -3.338) 4.014 3.260 ( 5.679 -0.249 -1.032) 5.778 3.309 ( 1.848 -0.542 -0.931) 2.139 3.419 ( 5.408 -0.095 3.858) 6.644 3.476 ( -1.994 0.221 1.375) 2.432 3.582 ( -0.300 -3.770 -2.868) 4.746 3.720 ( -1.151 -1.486 1.630) 2.488 3.791 ( -0.354 -3.041 -0.391) 3.086 3.864 ( -5.655 -4.657 -0.634) 7.353 3.922 ( -2.208 -1.472 4.938) 5.606 4.139 ( 2.264 -8.796 5.010) 10.373 4.274 ( 1.747 -1.831 -1.265) 2.829 4.315 ( -0.401 -6.256 -1.846) 6.535 4.345 ( -4.058 -3.527 1.549) 5.595 4.417 ( 4.815 -3.509 -1.321) 6.103 4.490 ( 1.862 -2.246 -0.556) 2.970 4.647 ( -1.837 -1.231 -1.223) 2.527 4.701 ( 1.275 1.135 1.991) 2.622 4.772 ( -3.287 -2.201 0.366) 3.973 4.791 ( -2.320 -0.776 -0.803) 2.575 4.936 ( -1.805 -1.116 -1.941) 2.875 4.957 ( -1.261 -3.159 -0.915) 3.522 5.151 ( -5.851 3.986 1.388) 7.214 5.216 ( -2.468 3.104 3.054) 5.005 5.249 ( -3.121 10.594 2.481) 11.320 5.301 ( -1.847 3.001 -2.657) 4.413 5.390 ( 1.562 3.356 -1.022) 3.840 5.456 ( 6.583 10.288 0.702) 12.234 5.642 ( 1.074 4.938 -2.584) 5.676 5.695 ( 3.686 9.004 1.324) 9.819 5.987 ( -2.195 -3.067 1.864) 4.207 6.021 ( -0.933 -4.198 -1.379) 4.516 6.377 ( 0.276 -6.853 2.737) 7.384 6.416 ( -1.190 -9.079 1.897) 9.351 6.562 ( 0.852 -1.606 4.465) 4.821 6.595 ( 1.046 -2.256 5.131) 5.702 6.858 ( 3.452 4.536 -1.824) 5.984 7.038 ( 8.162 -0.674 -13.001) 15.365 8.147 ( 2.376 7.126 -1.393) 7.640 8.233 ( 7.257 4.499 -1.033) 8.600 8.732 ( -0.643 -6.299 4.053) 7.518 8.779 ( 0.686 -5.244 -0.413) 5.305 9.066 ( -1.529 4.877 0.969) 5.202 9.225 ( 5.876 5.194 -0.797) 7.883 9.429 ( 0.067 -0.647 2.401) 2.488 9.467 ( 0.386 2.593 -2.702) 3.765 9.606 ( -1.703 -3.410 -1.990) 4.300 9.663 ( 0.987 -1.748 -1.302) 2.393 9.845 ( -1.595 -6.016 0.607) 6.254 9.912 ( 2.525 -6.902 3.143) 7.993 10.085 ( -3.583 3.677 -1.494) 5.347 10.135 ( 0.172 1.609 5.154) 5.402 10.155 ( -1.410 0.439 1.840) 2.359 10.205 ( -0.813 0.509 -3.082) 3.228 10.854 ( -1.563 0.627 1.889) 2.531 10.893 ( -0.782 0.168 -1.754) 1.928 11.375 ( -7.178 0.810 1.826) 7.451 11.404 ( -5.967 1.004 1.331) 6.196 12.284 ( 0.906 2.070 -1.498) 2.711 12.353 ( 4.887 3.251 0.997) 5.954 12.461 ( -3.232 0.423 -3.810) 5.014 12.723 ( 8.853 -3.579 -3.426) 10.145 18.946 ( -1.671 -0.194 3.929) 4.274 18.969 ( -5.121 -0.786 5.886) 7.842 19.056 ( 1.091 2.173 -4.076) 4.746 19.209 ( 3.441 -1.477 -3.431) 5.078 19.450 ( -4.207 0.163 0.079) 4.210 19.508 ( -3.777 2.747 0.823) 4.742 19.536 ( -4.004 -2.292 -2.197) 5.110 19.625 ( 3.153 1.334 -0.966) 3.557 19.645 ( -2.161 -1.168 0.238) 2.468 19.790 ( 3.495 -0.254 1.994) 4.032 19.833 ( 2.954 1.785 -1.326) 3.697 19.932 ( 4.594 -0.290 -0.312) 4.614 20.360 ( 0.035 0.139 0.359) 0.387 20.390 ( 0.020 -0.418 -0.709) 0.823 20.425 ( 2.438 0.853 -0.371) 2.609 20.434 ( 1.762 0.531 -0.162) 1.848 ======================= Grid point 101 (54/84) ======================= q-point: ( 0.22 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -4.070 3.243 1.106) 5.320 0.766 ( 0.628 -4.538 -3.892) 6.011 0.982 ( 7.252 4.906 -4.035) 9.641 1.169 ( 6.351 0.361 -5.941) 8.704 1.190 ( 5.654 -1.282 1.730) 6.050 1.215 ( 3.947 -1.631 9.208) 10.150 1.373 ( 0.795 4.240 3.896) 5.813 1.406 ( 2.296 -0.099 2.308) 3.257 1.429 ( 1.478 -0.473 -6.175) 6.367 1.481 ( 2.430 -1.999 -0.781) 3.242 1.626 ( 1.798 -1.826 -2.766) 3.771 1.679 ( 3.876 -5.016 1.497) 6.514 1.739 ( 1.524 -1.192 1.944) 2.742 1.785 ( 4.408 -7.602 -4.237) 9.756 1.818 ( 3.099 0.699 -3.443) 4.685 1.863 ( 1.983 0.927 -2.372) 3.228 1.892 ( 1.872 2.869 2.425) 4.197 1.966 ( -1.443 1.506 1.161) 2.387 1.985 ( 1.809 -2.882 0.035) 3.402 2.036 ( -1.558 2.560 0.093) 2.999 2.105 ( 3.877 -2.055 -1.070) 4.516 2.201 ( -0.179 3.362 -0.594) 3.419 2.235 ( -1.734 3.716 0.512) 4.133 2.256 ( 0.774 1.882 2.015) 2.864 2.307 ( -2.157 0.398 0.851) 2.353 2.368 ( 2.429 3.380 -4.240) 5.941 2.444 ( -3.066 2.164 -1.071) 3.902 2.466 ( -2.383 0.523 -2.208) 3.291 2.488 ( 1.443 -2.500 2.204) 3.632 2.574 ( -1.780 -1.238 -0.236) 2.181 2.605 ( 2.247 1.008 -3.131) 3.984 2.664 ( -0.397 0.492 -3.110) 3.173 2.713 ( -0.144 -0.217 1.551) 1.572 2.798 ( 2.971 2.139 0.059) 3.661 2.826 ( 4.534 3.308 1.682) 5.859 2.868 ( 0.683 -1.554 -0.235) 1.714 2.931 ( 3.193 2.219 -2.688) 4.727 3.033 ( -1.192 0.194 -0.997) 1.566 3.062 ( 7.213 5.148 5.406) 10.380 3.106 ( -1.350 -3.256 -0.335) 3.541 3.192 ( 3.106 -0.250 -0.575) 3.169 3.270 ( 1.194 4.606 3.081) 5.669 3.313 ( 4.823 -1.398 -1.724) 5.309 3.348 ( 8.166 -1.224 5.045) 9.676 3.395 ( 7.900 0.214 -1.160) 7.987 3.486 ( 1.324 0.297 0.904) 1.630 3.527 ( -0.586 -1.719 -1.796) 2.554 3.562 ( 5.445 -0.926 4.787) 7.309 3.736 ( -1.047 -0.366 2.580) 2.809 3.759 ( 0.846 -2.828 -1.817) 3.466 3.833 ( -0.861 -0.588 2.578) 2.781 3.959 ( -0.676 -0.889 5.955) 6.059 4.201 ( -1.354 -4.614 2.166) 5.273 4.233 ( -2.554 -4.312 -1.257) 5.167 4.304 ( -1.553 -1.603 1.342) 2.605 4.332 ( 0.039 -7.089 -1.426) 7.231 4.468 ( 2.542 -1.969 -2.481) 4.061 4.525 ( 1.885 -1.269 -0.204) 2.282 4.596 ( -2.611 -1.274 -0.682) 2.984 4.677 ( -5.188 -0.374 -1.111) 5.319 4.707 ( -3.867 -3.521 1.007) 5.327 4.763 ( 1.622 3.417 -1.434) 4.046 4.858 ( -3.702 0.139 -1.285) 3.922 4.937 ( -2.039 -0.572 1.551) 2.625 5.035 ( -7.533 1.286 0.370) 7.651 5.133 ( -4.158 3.061 -2.893) 5.919 5.232 ( -1.412 -0.833 -2.800) 3.245 5.316 ( 1.460 3.617 6.089) 7.231 5.383 ( -1.182 0.026 -0.760) 1.406 5.526 ( 1.628 2.474 -3.546) 4.621 5.679 ( 6.416 10.007 -0.404) 11.894 5.763 ( 1.791 8.270 1.094) 8.532 5.962 ( -2.410 -0.706 1.869) 3.130 5.982 ( -0.811 -3.918 -2.317) 4.623 6.411 ( -2.137 -7.605 2.787) 8.376 6.434 ( 2.058 -6.203 2.343) 6.943 6.605 ( 2.109 -0.276 -0.626) 2.218 6.686 ( 2.802 -3.071 3.351) 5.339 6.892 ( 1.611 5.010 1.377) 5.440 7.077 ( 11.526 -0.656 -9.987) 15.265 8.246 ( 7.220 6.738 2.862) 10.282 8.404 ( 10.058 3.661 2.994) 11.115 8.739 ( -0.233 -2.143 1.057) 2.401 8.853 ( 1.925 -4.574 5.365) 7.308 9.063 ( 1.023 3.366 -0.823) 3.612 9.304 ( 3.365 2.745 -1.419) 4.569 9.431 ( -1.591 -1.193 -0.605) 2.079 9.444 ( 2.990 3.062 -4.374) 6.120 9.548 ( -1.021 -4.734 -3.867) 6.198 9.664 ( -0.076 -1.479 0.662) 1.623 9.782 ( -2.373 -2.385 -4.155) 5.346 9.957 ( -1.343 -5.235 2.042) 5.778 10.038 ( -0.107 -0.755 -0.371) 0.848 10.090 ( -1.029 -0.651 -2.152) 2.473 10.204 ( -2.170 2.348 5.595) 6.444 10.242 ( 0.311 2.626 6.677) 7.182 10.820 ( -3.441 -0.562 -0.651) 3.547 10.867 ( -0.735 0.178 -0.371) 0.842 11.222 ( -12.048 0.639 -0.358) 12.070 11.295 ( -8.832 0.528 1.344) 8.949 12.321 ( 4.409 0.414 -0.276) 4.436 12.396 ( 1.917 -0.446 -0.855) 2.146 12.473 ( 5.827 4.576 0.676) 7.440 12.772 ( 3.021 -2.658 -4.280) 5.875 18.945 ( -3.771 0.049 4.325) 5.739 18.967 ( -2.425 -0.190 4.033) 4.709 19.030 ( 1.567 1.276 -4.169) 4.632 19.202 ( 1.375 -2.934 -5.363) 6.265 19.380 ( -4.552 0.286 1.798) 4.903 19.418 ( -4.895 -0.947 -1.688) 5.263 19.472 ( -2.364 2.923 1.123) 3.923 19.571 ( -3.121 1.201 0.366) 3.364 19.735 ( 5.296 -1.573 1.074) 5.628 19.860 ( 1.998 -2.210 1.837) 3.500 19.906 ( 4.337 3.251 0.802) 5.479 20.006 ( 3.279 -0.258 0.519) 3.330 20.367 ( 0.709 -0.647 -0.524) 1.093 20.380 ( 0.371 -0.515 -0.722) 0.961 20.462 ( 2.611 1.113 -0.794) 2.947 20.467 ( 2.703 1.123 -0.638) 2.996 ======================= Grid point 102 (55/84) ======================= q-point: ( 0.33 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -0.836 3.610 5.246) 6.423 0.756 ( 2.392 -6.206 -1.498) 6.818 1.109 ( 11.611 5.796 -2.604) 13.236 1.185 ( 1.829 -3.086 -5.784) 6.806 1.209 ( 0.412 2.001 -4.227) 4.695 1.319 ( 3.857 2.898 -5.550) 7.354 1.382 ( -0.358 -0.740 1.693) 1.882 1.390 ( 0.517 -1.922 -0.209) 2.001 1.471 ( 0.794 -3.801 2.915) 4.855 1.543 ( 2.649 0.156 0.929) 2.811 1.628 ( 1.604 -1.862 -2.458) 3.476 1.737 ( 0.517 -3.633 0.660) 3.729 1.826 ( 4.728 -3.637 1.464) 6.142 1.834 ( 2.024 -3.108 4.866) 6.118 1.884 ( 3.503 3.161 0.537) 4.748 1.911 ( 2.527 0.660 -0.933) 2.773 1.919 ( -1.475 3.046 0.192) 3.390 1.954 ( -1.434 -0.118 0.680) 1.591 1.980 ( 3.527 0.705 1.028) 3.741 2.039 ( -0.791 -0.950 1.583) 2.008 2.154 ( 1.773 -1.034 -1.853) 2.765 2.180 ( -1.778 -0.801 0.506) 2.015 2.216 ( -0.604 0.610 0.437) 0.963 2.265 ( -1.294 -1.069 -0.515) 1.756 2.296 ( 2.119 -0.124 0.774) 2.259 2.363 ( 0.368 1.663 -0.773) 1.871 2.381 ( -2.196 1.272 0.655) 2.621 2.443 ( 0.483 2.355 -2.575) 3.522 2.500 ( -0.830 -3.344 -0.117) 3.447 2.525 ( -0.357 -0.541 -2.022) 2.123 2.617 ( 2.531 0.368 -2.868) 3.843 2.648 ( 0.615 -0.093 -0.977) 1.158 2.735 ( 0.686 -0.320 1.583) 1.754 2.820 ( 1.820 -0.244 -1.290) 2.244 2.844 ( 1.007 -1.708 -0.927) 2.189 2.901 ( 1.799 3.253 -0.332) 3.732 2.984 ( 4.689 1.983 0.243) 5.097 3.021 ( 0.077 0.771 -1.512) 1.699 3.044 ( -0.863 -4.692 -2.284) 5.289 3.179 ( 4.162 6.232 0.385) 7.504 3.251 ( -1.699 7.647 -3.414) 8.545 3.270 ( 1.802 5.216 -0.411) 5.534 3.386 ( 0.900 -1.767 2.002) 2.818 3.429 ( 5.356 1.330 -3.561) 6.568 3.516 ( 2.325 -2.077 0.686) 3.192 3.558 ( 7.221 -3.526 0.730) 8.069 3.675 ( 4.652 -4.079 4.915) 7.902 3.732 ( 4.257 0.111 3.193) 5.322 3.764 ( 2.893 1.287 3.873) 5.002 3.788 ( 2.824 0.952 -0.204) 2.987 3.844 ( 1.570 0.598 2.985) 3.425 4.031 ( 0.482 -2.156 5.347) 5.785 4.171 ( -4.215 -3.862 -0.704) 5.760 4.189 ( -1.289 -2.179 0.773) 2.648 4.233 ( -7.396 -1.455 -1.835) 7.758 4.273 ( -3.023 0.139 0.330) 3.045 4.422 ( -3.366 2.347 -3.654) 5.495 4.502 ( -2.002 -0.440 -0.388) 2.086 4.553 ( -1.160 -0.867 -2.130) 2.575 4.623 ( -0.616 1.123 0.395) 1.340 4.671 ( -1.310 -0.491 1.271) 1.890 4.762 ( 0.132 3.546 -0.264) 3.558 4.831 ( -0.064 -2.416 0.199) 2.425 4.884 ( -3.569 1.605 1.035) 4.048 4.957 ( -3.550 -0.091 1.879) 4.018 5.032 ( -3.281 -1.160 -2.463) 4.263 5.198 ( 0.875 -4.710 -2.080) 5.223 5.330 ( -2.894 -4.458 -1.686) 5.576 5.418 ( 2.092 -2.589 3.914) 5.138 5.467 ( -0.247 -2.827 -6.595) 7.180 5.765 ( -1.985 1.473 2.452) 3.482 5.803 ( 5.024 6.942 0.618) 8.592 5.950 ( 1.046 0.780 -2.561) 2.874 5.974 ( 0.589 7.079 2.214) 7.440 6.402 ( -2.925 -5.900 3.976) 7.692 6.501 ( 1.859 -4.304 2.073) 5.126 6.633 ( 2.080 1.069 -0.556) 2.404 6.761 ( 3.794 -2.085 -0.044) 4.329 6.957 ( -0.488 4.327 7.192) 8.408 7.176 ( 12.165 -1.606 -8.375) 14.857 8.422 ( 7.039 5.433 4.070) 9.779 8.596 ( 6.402 2.062 2.822) 7.294 8.752 ( -0.546 2.322 1.353) 2.742 8.933 ( 0.014 -0.961 3.486) 3.616 9.094 ( 3.877 0.043 -0.136) 3.879 9.278 ( -0.929 1.376 -4.247) 4.560 9.373 ( -1.686 -0.919 -2.230) 2.943 9.476 ( 2.285 -7.517 -6.890) 10.450 9.487 ( 3.421 2.234 -2.148) 4.616 9.644 ( -0.860 -0.929 -1.263) 1.788 9.767 ( 2.919 1.772 0.745) 3.495 9.942 ( -3.264 -2.708 2.062) 4.716 10.010 ( -2.101 -2.095 -0.247) 2.977 10.088 ( 0.804 -2.558 -0.700) 2.771 10.231 ( -2.956 4.207 6.153) 8.019 10.297 ( -2.443 2.068 5.286) 6.180 10.739 ( -3.723 -0.061 -1.439) 3.992 10.849 ( -0.411 -0.229 -0.990) 1.097 10.999 ( -8.080 -0.208 -4.220) 9.118 11.134 ( -9.725 -0.626 -0.840) 9.781 12.396 ( 3.290 0.342 -0.178) 3.312 12.440 ( 2.728 1.082 0.415) 2.964 12.611 ( 4.673 0.782 5.635) 7.362 12.761 ( 1.718 -1.661 -2.849) 3.718 18.928 ( -3.665 0.156 3.570) 5.119 18.968 ( -2.406 -0.563 3.239) 4.073 19.014 ( 2.215 0.733 -3.909) 4.553 19.142 ( 1.010 -2.201 -6.723) 7.146 19.311 ( -4.192 0.970 1.393) 4.523 19.381 ( -1.552 -0.826 2.005) 2.667 19.447 ( -1.616 2.675 0.784) 3.222 19.531 ( -1.973 0.564 0.241) 2.066 19.822 ( 2.659 -1.449 1.289) 3.291 19.904 ( 0.932 -1.919 0.939) 2.331 19.970 ( 1.789 2.210 0.993) 3.012 20.047 ( 1.352 -0.366 -0.205) 1.416 20.371 ( 1.043 -0.620 -0.716) 1.409 20.393 ( 1.031 -1.241 0.008) 1.614 20.505 ( 2.768 1.601 0.045) 3.198 20.509 ( 2.557 1.603 -0.046) 3.019 ======================= Grid point 103 (56/84) ======================= q-point: ( 0.44 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 1.140 -0.244 7.741) 7.828 0.811 ( 3.256 -7.052 1.357) 7.885 1.081 ( -1.339 0.089 -6.634) 6.768 1.184 ( -0.473 -1.344 -3.010) 3.330 1.253 ( 4.592 3.585 -2.878) 6.498 1.288 ( 0.913 2.477 -4.165) 4.931 1.400 ( 4.238 4.942 -2.053) 6.826 1.441 ( 1.671 -6.023 3.556) 7.191 1.488 ( -1.070 -2.303 -1.071) 2.756 1.566 ( 0.380 0.947 0.590) 1.179 1.615 ( -0.455 -1.586 -1.802) 2.443 1.738 ( -1.056 0.575 -0.083) 1.206 1.763 ( -4.730 -0.254 -2.519) 5.365 1.853 ( -2.081 0.682 -2.580) 3.384 1.922 ( 0.564 -1.322 0.061) 1.438 1.932 ( 0.156 -4.098 1.493) 4.364 1.979 ( 3.221 0.609 2.462) 4.100 1.998 ( 1.738 -1.783 2.951) 3.861 2.028 ( -0.572 -1.527 1.792) 2.423 2.115 ( 3.946 -0.360 2.872) 4.894 2.150 ( -2.100 -1.180 3.255) 4.049 2.156 ( 0.404 -4.176 -1.281) 4.387 2.228 ( 1.433 -0.628 2.525) 2.970 2.267 ( 1.134 -2.462 -0.305) 2.728 2.329 ( -0.453 2.326 1.554) 2.834 2.359 ( -0.157 -3.253 -0.133) 3.260 2.398 ( 1.061 1.262 1.110) 1.988 2.414 ( 0.345 0.753 -0.610) 1.029 2.476 ( -1.354 -2.867 0.699) 3.247 2.547 ( 2.362 1.532 1.084) 3.017 2.606 ( -0.216 1.446 -2.506) 2.901 2.655 ( 2.876 0.496 -1.823) 3.441 2.760 ( 0.710 0.513 0.546) 1.032 2.834 ( 2.027 -0.696 -1.592) 2.670 2.876 ( 1.544 -0.968 -1.296) 2.236 2.918 ( 0.323 1.886 -0.941) 2.133 3.005 ( 0.506 -1.781 -0.811) 2.021 3.026 ( 1.382 4.733 1.058) 5.042 3.095 ( 4.314 0.860 1.682) 4.709 3.135 ( -0.388 6.617 -4.693) 8.121 3.262 ( -0.985 3.210 1.177) 3.558 3.295 ( 5.270 6.521 -2.229) 8.675 3.401 ( 0.244 -0.742 0.597) 0.983 3.454 ( -0.854 3.967 -2.548) 4.792 3.576 ( 2.660 -2.697 0.663) 3.846 3.607 ( -4.318 -1.626 -3.510) 5.797 3.670 ( -3.897 -2.231 -5.028) 6.741 3.720 ( 2.798 -3.041 -4.584) 6.172 3.747 ( -7.498 -0.599 -1.839) 7.744 3.799 ( 2.148 -0.605 0.338) 2.257 3.962 ( -1.192 3.941 5.657) 6.997 4.079 ( -3.170 -1.135 2.578) 4.241 4.114 ( 1.895 -0.395 3.663) 4.143 4.172 ( -2.804 0.659 -3.342) 4.412 4.183 ( -2.814 1.924 2.777) 4.397 4.231 ( 2.438 -1.797 0.691) 3.107 4.366 ( 1.098 1.704 2.619) 3.311 4.473 ( -3.046 1.140 1.909) 3.771 4.571 ( 4.961 0.311 -0.919) 5.055 4.602 ( 0.836 2.668 -1.300) 3.083 4.669 ( -0.854 1.938 -0.512) 2.179 4.779 ( 0.214 0.627 0.858) 1.084 4.839 ( -0.700 -3.992 4.718) 6.220 4.881 ( 0.008 1.079 0.545) 1.209 4.938 ( -0.953 0.090 2.337) 2.526 4.968 ( -1.691 -1.971 -0.871) 2.740 5.203 ( 2.232 -5.368 -2.238) 6.230 5.240 ( -2.924 -4.319 -4.456) 6.860 5.374 ( -3.481 -9.573 -3.350) 10.723 5.468 ( 3.102 -8.483 -2.361) 9.336 5.773 ( -1.128 -0.234 3.811) 3.981 5.857 ( 1.048 -4.021 -0.215) 4.160 5.974 ( 3.345 12.473 -0.609) 12.928 6.003 ( -0.612 10.588 1.547) 10.718 6.414 ( -1.808 -4.024 4.937) 6.621 6.530 ( -0.265 -1.873 0.439) 1.941 6.662 ( -0.362 1.811 2.437) 3.058 6.817 ( 2.780 -1.660 -0.673) 3.307 7.018 ( -3.593 3.169 7.950) 9.282 7.287 ( 10.995 -3.237 -7.332) 13.607 8.557 ( 3.541 4.023 3.204) 6.244 8.654 ( -4.149 0.687 3.556) 5.507 8.755 ( 2.689 5.576 -2.413) 6.644 8.883 ( -6.508 3.995 -1.483) 7.779 9.191 ( 5.764 -2.241 0.352) 6.194 9.254 ( 3.424 -0.538 -2.372) 4.200 9.355 ( 0.243 -3.027 -0.278) 3.049 9.410 ( -2.666 -5.942 -3.049) 7.191 9.542 ( 4.572 2.709 -1.450) 5.509 9.633 ( 2.356 -1.135 -3.336) 4.239 9.843 ( 3.964 1.574 0.712) 4.324 9.886 ( -5.261 -3.234 1.963) 6.480 9.978 ( -1.359 -1.346 0.220) 1.926 10.071 ( -1.375 -0.835 -0.996) 1.892 10.252 ( -1.971 4.675 5.157) 7.235 10.294 ( -3.525 2.754 3.725) 5.821 10.688 ( -0.472 0.596 0.163) 0.778 10.830 ( 0.676 -0.511 -2.720) 2.849 10.892 ( 0.721 -2.904 -3.283) 4.442 10.960 ( -7.577 -1.216 -2.112) 7.959 12.426 ( 1.226 1.024 -0.389) 1.644 12.464 ( -0.343 0.720 -0.638) 1.021 12.721 ( -0.578 -0.464 5.911) 5.957 12.796 ( 4.533 -1.555 -0.297) 4.801 18.902 ( -3.775 0.310 3.032) 4.852 18.961 ( -2.703 -1.098 2.982) 4.172 19.018 ( 3.779 0.470 -3.902) 5.453 19.097 ( 2.209 -1.097 -5.404) 5.941 19.286 ( -1.393 1.646 2.555) 3.344 19.376 ( -0.593 0.016 0.080) 0.599 19.443 ( -0.470 1.060 1.743) 2.094 19.506 ( -1.110 0.193 -0.064) 1.129 19.855 ( 0.099 -1.252 0.715) 1.445 19.908 ( -0.559 -2.001 -0.506) 2.138 19.999 ( 0.393 1.575 1.114) 1.969 20.058 ( 0.537 -0.325 -0.663) 0.913 20.385 ( 0.998 -0.820 -0.205) 1.308 20.403 ( 0.077 -1.371 -0.188) 1.386 20.548 ( 1.503 1.881 0.433) 2.447 20.548 ( 1.222 1.837 0.730) 2.324 ======================= Grid point 104 (57/84) ======================= q-point: (-0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -0.137 -3.713 6.579) 7.556 0.843 ( 0.033 -7.139 -2.436) 7.543 1.039 ( 0.230 0.453 1.686) 1.761 1.097 ( -4.261 -0.341 -5.209) 6.738 1.168 ( -6.220 2.953 -0.408) 6.898 1.289 ( 1.093 1.338 -4.712) 5.019 1.333 ( -8.791 4.665 -0.024) 9.952 1.484 ( 2.129 1.372 -1.631) 3.012 1.537 ( 4.363 -1.407 1.344) 4.777 1.583 ( 0.506 -0.212 -1.002) 1.143 1.606 ( 1.651 -1.773 2.551) 3.518 1.675 ( 0.747 -2.426 -3.384) 4.231 1.774 ( -2.505 -0.155 -1.612) 2.983 1.779 ( 1.773 0.682 1.538) 2.445 1.913 ( -0.736 -1.726 0.694) 2.000 1.931 ( -0.425 -5.159 -0.796) 5.237 2.009 ( -1.878 -2.279 1.228) 3.199 2.023 ( -2.523 -2.031 1.044) 3.403 2.066 ( 2.028 -3.065 -0.674) 3.736 2.103 ( 0.047 -3.472 -1.961) 3.987 2.175 ( -0.950 -1.424 1.673) 2.394 2.198 ( 1.022 -1.990 4.854) 5.345 2.236 ( -2.142 -0.317 0.384) 2.199 2.304 ( -2.506 0.053 -1.207) 2.782 2.336 ( -0.802 -2.928 0.357) 3.057 2.387 ( 2.527 2.742 4.703) 6.002 2.396 ( 2.110 -2.850 -2.640) 4.421 2.443 ( -2.087 0.546 0.466) 2.207 2.465 ( 1.381 4.381 2.745) 5.351 2.564 ( 1.544 0.323 -5.256) 5.487 2.648 ( 1.749 -0.260 4.236) 4.590 2.697 ( 0.378 1.718 2.505) 3.061 2.749 ( -1.090 0.929 -2.720) 3.074 2.808 ( -4.203 -2.873 -2.699) 5.762 2.846 ( 0.554 -1.527 -5.271) 5.515 2.878 ( 0.800 0.674 -1.655) 1.958 2.997 ( -2.864 6.621 0.587) 7.238 3.070 ( 0.154 6.683 -2.440) 7.116 3.109 ( -0.458 2.518 2.772) 3.773 3.174 ( -0.350 1.117 -0.349) 1.221 3.240 ( -6.868 0.522 -1.806) 7.120 3.270 ( -1.296 2.592 0.273) 2.911 3.359 ( -3.912 3.266 -0.406) 5.112 3.431 ( 2.460 1.616 -0.865) 3.068 3.450 ( -2.011 0.449 1.502) 2.550 3.518 ( -4.153 -2.544 -0.613) 4.909 3.610 ( 1.994 0.917 -1.863) 2.879 3.681 ( 1.030 -1.600 -2.029) 2.782 3.759 ( -0.967 -0.397 2.222) 2.456 3.795 ( -0.649 -1.025 -1.013) 1.580 4.020 ( -1.955 -0.316 3.649) 4.152 4.058 ( -0.709 2.309 1.717) 2.964 4.083 ( -1.036 0.646 0.645) 1.381 4.163 ( 1.491 0.190 2.574) 2.981 4.225 ( 4.793 0.168 -1.595) 5.054 4.261 ( 0.834 -1.845 -0.115) 2.028 4.417 ( -1.641 0.208 0.687) 1.791 4.484 ( 2.936 1.877 1.243) 3.700 4.610 ( -0.449 -0.766 -0.511) 1.024 4.615 ( -3.113 1.403 -2.284) 4.108 4.685 ( 3.823 -0.511 1.956) 4.325 4.748 ( 1.568 4.408 -3.063) 5.592 4.898 ( 0.665 -3.481 4.436) 5.677 4.925 ( 1.409 -1.972 3.505) 4.261 4.960 ( 0.321 0.865 1.010) 1.368 4.972 ( 3.036 0.626 0.240) 3.109 5.136 ( -2.631 -2.296 -4.449) 5.655 5.199 ( 1.275 -3.806 -4.481) 6.016 5.298 ( -3.500 -13.531 2.246) 14.155 5.485 ( 4.195 -10.133 -5.105) 12.097 5.800 ( -0.835 -0.628 3.105) 3.276 5.854 ( -0.560 -1.668 -0.577) 1.852 5.978 ( -3.383 11.231 0.201) 11.731 6.017 ( 1.272 11.448 0.454) 11.527 6.447 ( -1.170 -3.084 4.117) 5.275 6.513 ( -1.332 -1.119 -0.603) 1.841 6.670 ( -3.874 1.317 5.011) 6.470 6.821 ( -1.542 -2.705 -1.306) 3.377 7.010 ( -5.940 4.040 4.817) 8.649 7.366 ( 7.860 -4.453 -7.438) 11.702 8.591 ( -6.394 3.439 3.849) 8.218 8.633 ( -0.079 1.511 3.596) 3.901 8.744 ( -3.138 5.930 -1.718) 6.926 8.798 ( 2.316 3.933 -0.795) 4.633 9.195 ( -5.122 -0.782 -1.844) 5.500 9.315 ( -0.043 -3.813 0.314) 3.826 9.333 ( 2.522 -2.755 -1.594) 4.061 9.374 ( 2.517 -4.782 -0.856) 5.471 9.562 ( -0.701 3.289 -2.146) 3.990 9.623 ( 0.889 0.954 -5.104) 5.268 9.839 ( -3.206 -2.583 1.725) 4.464 9.894 ( 1.351 -2.668 0.421) 3.020 9.989 ( 1.125 -0.189 2.362) 2.623 10.047 ( 1.033 -0.532 -0.732) 1.373 10.264 ( -3.078 3.874 3.479) 6.048 10.309 ( 0.802 3.685 4.032) 5.521 10.731 ( 3.918 1.467 1.117) 4.330 10.805 ( 0.062 -1.546 -3.500) 3.827 10.831 ( -1.615 -1.860 -2.270) 3.350 10.941 ( 6.319 -2.323 -1.360) 6.869 12.431 ( -2.004 1.223 -0.547) 2.410 12.442 ( 0.577 0.733 0.295) 0.978 12.731 ( -4.221 0.290 3.475) 5.475 12.881 ( 5.188 -3.038 -1.035) 6.101 18.872 ( -3.758 0.377 3.011) 4.830 18.946 ( -2.940 -1.458 2.738) 4.274 19.048 ( 4.928 0.372 -4.119) 6.434 19.086 ( 2.412 0.006 -3.618) 4.349 19.318 ( 1.269 1.439 2.334) 3.022 19.370 ( 1.277 1.076 -1.322) 2.130 19.470 ( 0.701 -0.224 2.117) 2.241 19.491 ( -0.249 -0.052 -0.448) 0.515 19.858 ( -0.758 -1.174 1.247) 1.873 19.887 ( -0.792 -2.123 -0.535) 2.328 20.013 ( -0.556 1.234 1.415) 1.958 20.049 ( -0.444 -0.031 -1.023) 1.115 20.390 ( -1.032 -0.977 -0.419) 1.482 20.397 ( 0.377 -1.155 0.055) 1.216 20.552 ( -1.280 2.039 0.263) 2.422 20.568 ( 0.098 1.713 0.167) 1.724 ======================= Grid point 105 (58/84) ======================= q-point: (-0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -5.148 -3.092 -3.021) 6.722 0.822 ( -2.856 -2.160 1.939) 4.072 0.914 ( -9.225 0.549 -2.670) 9.619 1.061 ( -2.920 2.872 2.662) 4.885 1.113 ( -2.408 0.127 4.263) 4.898 1.184 ( -4.327 4.723 -2.157) 6.759 1.270 ( -0.547 1.072 0.672) 1.379 1.486 ( 0.601 -2.074 -1.929) 2.895 1.559 ( -1.812 -2.059 0.047) 2.743 1.569 ( -1.323 -0.344 -0.695) 1.533 1.630 ( -0.150 -3.623 -2.659) 4.497 1.735 ( 0.426 -3.374 2.465) 4.201 1.749 ( 3.223 0.332 2.528) 4.109 1.827 ( -0.103 1.654 0.467) 1.722 1.905 ( -1.807 -3.483 -0.094) 3.925 1.920 ( -1.091 -0.568 1.445) 1.897 1.962 ( -4.898 -2.885 0.768) 5.736 1.982 ( -1.166 -1.436 0.363) 1.885 2.058 ( -5.262 0.389 -1.447) 5.472 2.067 ( -1.873 -3.856 -0.041) 4.287 2.150 ( -6.522 0.898 -3.513) 7.462 2.160 ( -2.700 -0.706 -0.555) 2.845 2.203 ( -5.375 0.286 -2.985) 6.154 2.238 ( -3.234 -0.154 1.065) 3.408 2.308 ( 2.700 -0.577 2.483) 3.713 2.374 ( -2.740 1.768 -1.490) 3.585 2.399 ( -1.044 2.594 -0.727) 2.890 2.478 ( -1.948 -0.198 -1.612) 2.536 2.515 ( 2.986 2.161 -1.006) 3.820 2.538 ( 2.968 -0.655 1.862) 3.564 2.584 ( 0.880 -0.753 -2.499) 2.754 2.637 ( -0.195 -0.654 -1.495) 1.644 2.747 ( 0.074 -1.638 -1.425) 2.172 2.825 ( 0.690 -1.221 -0.868) 1.649 2.857 ( 3.371 -2.184 4.403) 5.960 2.880 ( -0.234 0.767 -1.308) 1.534 2.940 ( -2.568 2.864 1.226) 4.037 3.056 ( -0.622 2.720 -2.035) 3.453 3.061 ( -5.724 -0.017 -3.103) 6.511 3.070 ( -4.483 6.330 -2.384) 8.115 3.121 ( -2.953 4.138 3.317) 6.070 3.228 ( -4.987 2.834 0.731) 5.782 3.365 ( -2.360 3.762 2.173) 4.944 3.406 ( -2.022 -1.088 2.846) 3.656 3.503 ( -2.380 -0.157 4.102) 4.745 3.545 ( 1.799 -2.443 1.448) 3.362 3.646 ( 2.049 -2.605 -1.122) 3.499 3.688 ( 3.246 -1.993 2.003) 4.304 3.735 ( -0.667 1.912 1.841) 2.737 3.828 ( 2.608 -4.029 0.982) 4.899 3.975 ( -5.589 -1.700 0.673) 5.880 4.077 ( -2.610 1.141 4.274) 5.136 4.105 ( -0.256 0.901 1.369) 1.659 4.242 ( 0.955 1.065 -1.315) 1.943 4.254 ( 4.427 0.334 0.929) 4.535 4.316 ( 4.284 -5.845 -4.038) 8.297 4.370 ( -3.530 0.175 2.580) 4.376 4.492 ( 1.097 -1.521 -2.072) 2.795 4.547 ( 0.607 6.747 -2.901) 7.370 4.621 ( 2.317 -3.165 0.444) 3.947 4.682 ( -0.148 5.017 -1.619) 5.274 4.816 ( 2.627 3.343 0.982) 4.364 4.935 ( 0.732 -1.414 -2.598) 3.047 4.959 ( 1.730 -1.374 0.014) 2.209 4.987 ( 2.313 -1.423 -3.605) 4.514 5.048 ( 0.314 -2.354 0.375) 2.404 5.082 ( 3.071 0.054 3.438) 4.610 5.189 ( 1.401 -2.604 1.051) 3.139 5.282 ( -1.275 -9.851 1.263) 10.013 5.498 ( 2.411 -6.438 -2.528) 7.325 5.815 ( -1.071 -2.004 2.231) 3.185 5.832 ( -1.896 4.553 0.362) 4.945 5.896 ( -4.702 10.298 -1.615) 11.435 6.028 ( 0.154 6.097 -0.336) 6.108 6.456 ( -3.003 -2.794 3.280) 5.252 6.476 ( -1.928 -2.360 -0.622) 3.111 6.645 ( -5.738 -0.324 4.467) 7.279 6.727 ( -7.855 -4.400 0.106) 9.004 6.940 ( -5.256 6.349 0.483) 8.256 7.371 ( 4.142 -4.515 -9.302) 11.139 8.540 ( -5.078 4.750 3.681) 7.868 8.589 ( -5.699 4.525 0.113) 7.277 8.765 ( 1.771 0.042 2.430) 3.007 8.825 ( -0.867 1.619 2.147) 2.826 9.101 ( -3.008 0.459 1.704) 3.487 9.254 ( -3.684 -4.832 1.133) 6.180 9.364 ( 0.809 -1.358 -5.353) 5.582 9.398 ( 0.195 -2.718 -2.320) 3.579 9.504 ( -0.276 1.804 -3.142) 3.633 9.579 ( 1.949 2.308 -1.389) 3.325 9.784 ( -4.296 1.590 0.176) 4.584 9.930 ( 1.288 -5.480 1.795) 5.909 10.030 ( -0.369 -2.348 2.496) 3.446 10.087 ( 3.030 -2.525 -0.986) 4.065 10.275 ( 0.119 5.536 4.246) 6.978 10.376 ( 1.617 1.672 2.170) 3.181 10.763 ( -1.860 -1.628 0.946) 2.647 10.800 ( 4.305 -1.746 -2.672) 5.359 10.870 ( 8.100 3.835 -1.334) 9.061 11.082 ( 10.017 -1.149 1.050) 10.137 12.391 ( -2.194 1.910 0.064) 2.909 12.443 ( -1.444 0.675 0.158) 1.602 12.683 ( -4.326 0.788 2.173) 4.905 12.915 ( 2.322 -5.514 -6.140) 8.573 18.852 ( -2.966 -0.053 3.954) 4.943 18.930 ( -2.689 -1.609 3.298) 4.550 19.078 ( 3.577 0.929 -3.995) 5.442 19.094 ( 3.342 0.819 -2.878) 4.486 19.358 ( 2.284 0.414 -0.772) 2.446 19.412 ( 4.014 1.460 0.175) 4.275 19.482 ( 0.431 -0.040 -0.602) 0.741 19.517 ( 2.038 -0.173 1.204) 2.373 19.857 ( -1.539 -1.242 1.047) 2.237 19.880 ( -0.183 -1.911 1.090) 2.208 20.014 ( -1.090 0.688 0.964) 1.609 20.022 ( -1.088 0.330 -0.724) 1.348 20.362 ( -1.537 -0.322 -0.331) 1.605 20.396 ( -0.529 -1.310 -0.142) 1.420 20.512 ( -3.084 2.109 -0.416) 3.759 20.551 ( -1.668 1.250 -0.984) 2.305 ======================= Grid point 106 (59/84) ======================= q-point: (-0.22 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -5.097 5.134 1.185) 7.331 0.722 ( -13.314 7.040 6.006) 16.214 0.773 ( -0.899 -1.203 -4.673) 4.908 1.032 ( -5.705 -1.645 0.930) 6.009 1.103 ( -1.084 5.556 5.402) 7.825 1.167 ( 0.024 -1.266 0.466) 1.349 1.299 ( 0.578 -1.560 3.586) 3.954 1.446 ( -4.297 -2.008 -1.051) 4.858 1.477 ( -9.592 -0.598 2.048) 9.827 1.534 ( -1.339 -1.253 -1.198) 2.190 1.587 ( -0.746 -2.783 -3.976) 4.910 1.651 ( -13.988 6.570 1.329) 15.511 1.711 ( -4.494 -5.133 -0.144) 6.824 1.793 ( -6.448 -1.041 -0.675) 6.566 1.814 ( -4.610 -2.172 1.408) 5.287 1.868 ( -1.403 -0.193 0.400) 1.471 1.907 ( -3.419 -0.982 -1.821) 3.996 1.958 ( 0.325 1.609 1.286) 2.086 1.999 ( 0.180 -0.092 0.333) 0.390 2.044 ( -1.251 0.340 -3.477) 3.711 2.052 ( 0.090 -1.457 0.732) 1.633 2.138 ( -2.211 -1.337 3.033) 3.985 2.174 ( -0.190 1.567 2.714) 3.139 2.222 ( 0.655 2.179 0.879) 2.439 2.304 ( -1.046 3.492 -0.050) 3.645 2.361 ( -0.264 2.407 -0.877) 2.575 2.409 ( 2.450 -0.377 1.418) 2.856 2.470 ( -1.582 -1.371 1.433) 2.537 2.557 ( 0.322 -0.953 -2.420) 2.621 2.560 ( 4.334 -4.199 -3.734) 7.096 2.599 ( 5.186 -2.555 -2.078) 6.143 2.664 ( 1.039 0.393 -1.038) 1.521 2.742 ( 0.365 -0.322 -0.231) 0.538 2.825 ( -0.162 -0.641 -0.667) 0.939 2.840 ( -2.554 -0.903 0.281) 2.724 2.875 ( -1.128 2.317 -1.052) 2.783 2.913 ( -1.896 2.921 -2.320) 4.184 3.002 ( -0.981 0.393 4.096) 4.230 3.029 ( -1.308 -3.525 2.537) 4.536 3.056 ( 2.544 -2.026 0.304) 3.266 3.131 ( 0.126 9.017 2.511) 9.361 3.189 ( -2.433 2.663 3.573) 5.078 3.306 ( -3.880 0.274 0.627) 3.940 3.393 ( -3.174 -0.647 1.781) 3.696 3.457 ( -4.348 0.310 0.674) 4.411 3.546 ( 0.659 -2.171 -3.140) 3.874 3.644 ( -1.401 0.615 -0.195) 1.542 3.752 ( -7.775 -1.054 -4.245) 8.921 3.793 ( -1.973 -2.561 -2.011) 3.807 3.813 ( 3.936 -0.632 3.086) 5.041 3.858 ( -3.249 -4.142 -1.410) 5.450 4.054 ( -3.846 -3.562 3.080) 6.080 4.084 ( -4.212 -2.476 3.256) 5.871 4.250 ( 2.591 -3.364 -0.647) 4.295 4.269 ( 1.103 -1.232 -0.228) 1.669 4.355 ( 3.597 -0.566 -0.296) 3.653 4.444 ( 2.774 -2.128 1.689) 3.883 4.494 ( 1.188 2.661 2.244) 3.678 4.559 ( 1.164 2.250 -4.051) 4.778 4.666 ( 3.852 -1.868 1.264) 4.464 4.689 ( 2.099 3.185 -1.140) 3.981 4.838 ( -0.390 1.395 -2.305) 2.723 4.897 ( 2.933 -0.263 -3.954) 4.930 4.981 ( 2.293 0.145 -2.208) 3.187 5.016 ( 2.585 -1.072 3.036) 4.129 5.077 ( 2.098 -0.016 0.472) 2.151 5.130 ( 0.578 -1.329 0.155) 1.457 5.277 ( -0.641 -3.768 3.497) 5.180 5.323 ( 5.451 1.161 4.617) 7.237 5.490 ( -0.861 -0.573 -1.542) 1.857 5.745 ( -6.725 9.464 -2.898) 11.967 5.799 ( -2.763 5.420 -0.209) 6.087 5.861 ( 0.895 -0.952 2.712) 3.011 6.029 ( 1.371 1.286 -1.107) 2.182 6.425 ( -4.917 -2.768 3.408) 6.591 6.439 ( -2.420 -5.510 0.880) 6.082 6.557 ( -7.414 -3.734 0.479) 8.315 6.609 ( -7.906 -2.683 4.655) 9.559 6.855 ( -3.591 7.414 -1.254) 8.333 7.299 ( 2.296 -3.648 -11.430) 12.216 8.441 ( -5.733 3.396 -4.814) 8.220 8.502 ( -5.842 5.626 1.052) 8.178 8.749 ( -4.048 -2.236 0.816) 4.695 8.861 ( -0.210 -2.377 3.509) 4.243 9.124 ( -2.843 2.562 6.695) 7.712 9.250 ( 0.653 -1.181 3.254) 3.523 9.265 ( -0.774 -0.522 -8.939) 8.987 9.345 ( -0.954 0.443 0.803) 1.323 9.532 ( 6.026 -0.971 -3.459) 7.016 9.629 ( 2.028 -1.416 1.195) 2.747 9.717 ( -3.287 2.871 0.856) 4.447 9.963 ( -0.205 -7.513 1.094) 7.595 10.035 ( -1.692 -3.901 1.811) 4.621 10.105 ( 1.098 -2.275 -1.163) 2.780 10.352 ( 1.349 2.012 2.346) 3.372 10.393 ( -0.616 0.504 -0.913) 1.211 10.766 ( 0.930 -0.701 1.263) 1.718 10.859 ( 5.082 -1.884 -1.362) 5.588 11.069 ( 14.597 10.214 4.782) 18.446 11.292 ( 11.575 0.348 1.413) 11.666 12.339 ( -4.376 1.196 -0.963) 4.638 12.389 ( -3.490 2.272 -0.001) 4.164 12.657 ( -1.987 -0.252 2.393) 3.120 12.759 ( -7.343 -5.844 -14.703) 17.443 18.865 ( -1.666 -1.353 4.499) 4.985 18.945 ( -1.825 -2.376 6.267) 6.947 19.090 ( 3.107 2.222 -2.898) 4.795 19.123 ( 4.289 0.538 -3.654) 5.660 19.396 ( 3.095 0.397 -0.566) 3.171 19.467 ( 2.557 -0.464 -1.868) 3.201 19.506 ( 3.191 1.806 -0.021) 3.666 19.569 ( 2.853 0.191 0.429) 2.892 19.813 ( -3.789 -1.402 -1.358) 4.262 19.888 ( -0.755 -1.140 0.528) 1.466 19.986 ( -0.993 1.331 -1.906) 2.528 20.012 ( -1.208 0.463 0.820) 1.531 20.336 ( -1.167 0.134 0.233) 1.197 20.377 ( -1.149 -1.142 -0.431) 1.677 20.447 ( -3.493 1.732 -0.210) 3.905 20.482 ( -3.729 0.943 -2.501) 4.588 ======================= Grid point 107 (60/84) ======================= q-point: (-0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -3.330 7.087 7.586) 10.903 0.628 ( -7.018 9.003 9.630) 14.935 0.734 ( 1.943 2.341 -2.989) 4.265 0.948 ( -4.487 -4.179 1.674) 6.356 1.130 ( -4.539 -2.183 -0.596) 5.072 1.169 ( -0.729 6.782 9.227) 11.474 1.315 ( -8.302 3.358 7.197) 11.489 1.334 ( -7.124 3.143 8.146) 11.269 1.420 ( 1.172 -3.941 0.818) 4.193 1.487 ( -1.057 0.147 -2.879) 3.070 1.507 ( -0.900 -1.122 -5.878) 6.051 1.532 ( -5.690 -5.198 0.893) 7.758 1.594 ( -2.892 -0.538 0.477) 2.980 1.727 ( -0.645 -2.162 -0.985) 2.462 1.785 ( -1.947 -3.778 2.409) 4.885 1.800 ( -2.328 -0.485 -2.022) 3.122 1.879 ( -2.025 -1.527 0.880) 2.684 1.958 ( -1.854 2.677 -0.068) 3.257 1.977 ( -0.168 3.011 -2.417) 3.865 2.008 ( -0.604 -1.280 0.830) 1.641 2.051 ( -1.314 -0.447 0.242) 1.409 2.136 ( -0.894 2.242 1.667) 2.933 2.224 ( -0.376 4.619 1.675) 4.928 2.272 ( 2.273 3.423 3.091) 5.141 2.295 ( 1.019 1.257 -0.609) 1.729 2.381 ( -0.036 -0.669 -3.653) 3.714 2.394 ( -0.719 1.491 3.229) 3.628 2.492 ( 0.052 0.511 2.772) 2.819 2.537 ( 0.607 0.545 -2.251) 2.394 2.592 ( 3.360 -1.887 -1.176) 4.028 2.640 ( 3.643 -2.243 -1.780) 4.634 2.703 ( 4.196 -1.834 -0.500) 4.607 2.739 ( -1.057 -0.878 -0.188) 1.387 2.771 ( -4.886 0.394 -2.212) 5.378 2.799 ( -1.370 1.516 -1.561) 2.571 2.845 ( -0.932 0.197 -0.884) 1.299 2.894 ( 1.037 1.029 -0.843) 1.687 2.984 ( -1.966 1.393 0.965) 2.596 3.024 ( -1.515 -3.174 3.566) 5.009 3.124 ( -0.687 3.624 -2.652) 4.543 3.172 ( 1.878 -2.110 0.636) 2.896 3.202 ( 0.853 -0.981 1.965) 2.356 3.268 ( -3.045 3.428 -1.421) 4.801 3.338 ( -4.534 -1.394 0.475) 4.768 3.399 ( -3.552 -0.584 -4.503) 5.765 3.473 ( -2.497 2.363 -5.626) 6.593 3.538 ( -3.371 3.349 -4.403) 6.478 3.623 ( -5.013 -8.928 -4.098) 11.029 3.653 ( 2.321 -3.682 4.700) 6.405 3.852 ( 0.781 -1.192 -2.726) 3.076 3.879 ( 0.120 -1.798 -0.570) 1.890 4.025 ( -3.153 -0.533 1.819) 3.679 4.089 ( -3.226 -11.114 7.222) 13.641 4.282 ( 1.957 -7.098 -1.573) 7.529 4.302 ( 1.262 -0.324 -0.419) 1.369 4.382 ( 1.126 -0.848 -1.757) 2.253 4.454 ( -2.762 -2.372 1.527) 3.948 4.511 ( -0.738 -0.163 -2.796) 2.896 4.567 ( 2.791 2.052 1.973) 3.986 4.734 ( 2.770 -2.536 0.895) 3.861 4.749 ( 3.809 -0.721 -0.225) 3.883 4.785 ( -0.490 -3.071 -3.094) 4.387 4.928 ( 2.913 1.119 -1.117) 3.315 4.999 ( 1.226 -0.642 -0.611) 1.513 5.114 ( 3.014 3.338 4.689) 6.497 5.150 ( 0.419 1.297 2.728) 3.050 5.155 ( 3.894 1.648 3.387) 5.417 5.285 ( -1.247 3.081 1.310) 3.573 5.438 ( -1.799 6.397 -1.560) 6.826 5.459 ( 2.548 1.925 1.905) 3.718 5.584 ( -5.118 10.391 -2.892) 11.938 5.735 ( -3.407 7.442 -1.080) 8.256 5.928 ( 1.820 -2.691 3.354) 4.669 6.045 ( 1.555 -1.639 -1.308) 2.611 6.376 ( -4.853 -6.722 3.285) 8.918 6.417 ( -1.933 -6.788 2.073) 7.356 6.477 ( -4.964 -3.258 5.084) 7.817 6.544 ( -5.121 -2.611 3.653) 6.810 6.803 ( -0.471 7.323 -1.135) 7.426 7.195 ( 2.696 -2.393 -12.946) 13.438 8.282 ( -3.463 3.490 -6.976) 8.534 8.370 ( -6.244 5.119 -4.803) 9.395 8.692 ( -3.364 -4.684 1.516) 5.962 8.880 ( -1.579 -4.243 1.583) 4.796 9.116 ( -3.948 4.350 3.699) 6.942 9.162 ( -0.150 1.965 -5.934) 6.253 9.327 ( 1.663 1.615 3.840) 4.485 9.415 ( 2.767 -1.045 5.270) 6.043 9.593 ( 5.392 -3.424 -3.712) 7.388 9.647 ( -0.669 -1.553 0.471) 1.756 9.720 ( 0.520 1.228 3.753) 3.983 9.924 ( -4.711 -9.178 0.474) 10.328 10.039 ( 0.365 -2.266 0.948) 2.484 10.115 ( 0.642 -1.470 0.407) 1.655 10.312 ( -4.287 1.637 -3.055) 5.513 10.345 ( -1.598 0.010 -2.995) 3.394 10.812 ( 1.280 0.731 2.007) 2.490 10.917 ( 3.074 -0.788 -1.584) 3.547 11.447 ( 14.114 4.666 -0.432) 14.872 11.475 ( 9.966 3.383 -0.676) 10.547 12.246 ( -3.187 0.579 -0.075) 3.240 12.340 ( -2.098 0.238 0.406) 2.150 12.413 ( -9.187 4.481 -4.969) 11.365 12.644 ( -2.861 -1.071 1.338) 3.335 18.891 ( -1.212 -1.365 4.058) 4.450 18.990 ( -2.842 -3.883 6.259) 7.895 19.119 ( 3.413 0.350 -3.341) 4.789 19.158 ( 4.404 -0.018 -3.429) 5.582 19.449 ( 2.660 0.716 0.966) 2.919 19.489 ( 3.045 -0.142 -1.578) 3.432 19.560 ( 3.232 1.204 -0.751) 3.530 19.626 ( 2.274 0.112 0.891) 2.445 19.694 ( -4.964 1.458 -3.551) 6.275 19.858 ( -1.330 1.315 -2.204) 2.891 19.903 ( -4.180 1.882 -4.539) 6.451 19.972 ( -3.255 0.686 -1.589) 3.687 20.335 ( 0.262 0.353 1.180) 1.259 20.354 ( -0.662 -0.445 0.414) 0.899 20.401 ( -1.725 0.952 0.740) 2.105 20.411 ( -2.065 0.684 0.496) 2.231 ======================= Grid point 108 (61/84) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.954 1.125 1.694) 2.246 0.731 ( 1.576 -0.047 1.217) 1.992 0.888 ( -1.339 7.700 5.499) 9.556 0.979 ( -1.440 3.796 2.748) 4.902 1.015 ( -0.984 3.130 1.076) 3.453 1.160 ( -1.264 -4.369 -1.533) 4.800 1.272 ( -0.224 -0.217 5.879) 5.888 1.334 ( 2.526 -8.904 7.430) 11.868 1.377 ( -2.111 0.897 -3.618) 4.284 1.417 ( 0.874 -1.506 -4.365) 4.700 1.443 ( 0.300 1.269 -3.085) 3.349 1.515 ( -0.727 -5.400 -1.819) 5.745 1.670 ( 3.020 0.847 0.766) 3.229 1.707 ( 1.860 -2.287 0.069) 2.949 1.754 ( -1.259 1.083 1.276) 2.094 1.789 ( -0.958 -2.116 -0.327) 2.345 1.881 ( 2.712 5.719 3.321) 7.148 1.942 ( -1.019 -0.805 -0.684) 1.468 1.994 ( 0.262 0.509 0.129) 0.587 2.004 ( -0.736 1.287 0.584) 1.593 2.117 ( -0.357 6.153 7.723) 9.881 2.194 ( 1.249 -0.914 4.427) 4.690 2.266 ( -1.669 1.802 -0.201) 2.465 2.301 ( -0.628 0.924 1.137) 1.594 2.364 ( 0.093 1.922 1.403) 2.381 2.428 ( -0.771 -1.676 0.634) 1.951 2.485 ( 2.715 4.301 -0.142) 5.088 2.548 ( 2.922 -0.752 -0.539) 3.065 2.563 ( 2.711 2.670 2.743) 4.690 2.588 ( -0.021 1.557 0.343) 1.594 2.656 ( 1.936 -4.741 -1.256) 5.273 2.684 ( -6.097 4.537 -1.797) 7.809 2.703 ( 4.279 -2.298 -2.143) 5.309 2.749 ( -2.409 -0.619 0.249) 2.499 2.784 ( -2.441 0.832 -0.708) 2.674 2.799 ( -1.090 -0.490 -0.934) 1.517 2.931 ( 0.876 3.685 1.263) 3.993 2.967 ( 2.101 0.661 -1.842) 2.871 3.058 ( -0.477 1.356 -1.044) 1.777 3.111 ( 2.173 -4.481 1.113) 5.103 3.160 ( -1.122 0.581 0.606) 1.401 3.182 ( 1.333 -1.135 -1.624) 2.388 3.268 ( -2.468 4.234 -2.857) 5.673 3.287 ( -1.527 0.223 -1.187) 1.947 3.320 ( -0.806 0.440 0.784) 1.207 3.367 ( 3.654 0.417 -0.482) 3.709 3.451 ( -1.770 0.230 -2.187) 2.823 3.520 ( -1.444 -3.407 -2.438) 4.431 3.673 ( -1.052 -4.873 -1.971) 5.360 3.720 ( -0.780 0.093 -1.244) 1.471 3.756 ( 1.148 -5.616 -0.769) 5.783 3.831 ( -3.816 -8.213 -0.822) 9.094 4.037 ( -2.980 2.622 1.347) 4.192 4.142 ( 3.191 -6.817 -3.000) 8.102 4.317 ( 0.214 1.199 -0.537) 1.331 4.345 ( -0.349 -0.525 -1.971) 2.069 4.401 ( -3.252 1.702 2.163) 4.261 4.452 ( -1.207 -1.539 -0.445) 2.006 4.608 ( 2.078 -1.976 -0.693) 2.950 4.639 ( -0.539 -3.973 -2.517) 4.734 4.770 ( 1.042 1.469 2.254) 2.885 4.790 ( 0.985 -0.185 1.002) 1.418 4.943 ( -0.280 -0.555 -1.530) 1.651 4.948 ( -0.755 -1.310 -1.581) 2.187 5.247 ( -0.889 2.844 6.047) 6.741 5.277 ( -0.785 0.127 5.974) 6.027 5.360 ( 3.168 5.940 1.396) 6.875 5.421 ( 3.336 0.562 -0.093) 3.384 5.577 ( -5.040 8.608 0.715) 10.000 5.582 ( 1.390 8.269 0.003) 8.385 5.772 ( -2.141 2.759 0.816) 3.586 5.786 ( 1.911 4.290 0.430) 4.716 5.918 ( 1.223 0.783 1.445) 2.049 5.994 ( -0.795 0.396 -2.284) 2.451 6.148 ( 0.740 -10.429 1.331) 10.539 6.194 ( -0.750 -11.280 -1.058) 11.354 6.469 ( -1.387 0.284 5.957) 6.123 6.495 ( -1.445 -1.951 5.136) 5.681 6.942 ( 2.280 6.033 -4.024) 7.602 7.044 ( 2.877 -3.783 -9.042) 10.215 8.298 ( -0.191 6.936 -2.095) 7.248 8.368 ( -1.573 5.236 -3.985) 6.765 8.549 ( -1.183 -3.633 0.582) 3.865 8.662 ( -1.698 -9.401 -3.666) 10.232 9.200 ( -2.479 5.076 2.915) 6.356 9.254 ( 2.031 1.785 0.572) 2.764 9.404 ( -0.339 2.554 4.132) 4.869 9.493 ( 1.049 -2.540 4.897) 5.615 9.564 ( 3.424 -0.065 -4.300) 5.498 9.603 ( 1.192 -1.983 -1.532) 2.776 9.740 ( -0.198 -1.656 0.982) 1.936 9.769 ( 0.036 -3.943 -0.690) 4.003 10.078 ( 1.048 1.377 4.611) 4.925 10.111 ( 0.159 -1.559 3.921) 4.223 10.246 ( -3.292 1.468 -3.043) 4.717 10.267 ( -1.967 -0.742 -3.952) 4.476 10.878 ( 0.250 1.874 0.928) 2.106 10.912 ( 0.470 -1.278 -0.737) 1.549 11.508 ( -2.678 1.019 -3.350) 4.408 11.513 ( -4.153 0.679 -3.997) 5.804 12.319 ( 4.782 3.401 2.702) 6.460 12.367 ( 1.803 -0.110 1.020) 2.074 12.496 ( 4.716 0.803 -0.038) 4.784 12.540 ( -3.203 -2.393 -1.687) 4.340 18.919 ( -1.998 0.635 5.691) 6.065 18.945 ( -3.482 -1.831 6.386) 7.501 19.135 ( 2.542 1.824 -5.084) 5.970 19.167 ( 3.635 -1.296 -4.597) 6.002 19.514 ( 0.465 1.401 0.558) 1.578 19.534 ( 3.513 -0.370 -0.353) 3.550 19.573 ( -1.306 -0.302 -0.560) 1.452 19.577 ( -2.914 -0.738 -0.706) 3.088 19.733 ( -0.482 2.355 0.479) 2.452 19.776 ( -2.882 -1.636 -0.745) 3.397 19.862 ( 0.526 1.854 -4.224) 4.643 19.888 ( -0.711 -0.641 -3.878) 3.994 20.367 ( 0.042 0.486 1.063) 1.170 20.374 ( 1.074 -0.238 0.789) 1.354 20.408 ( 0.388 0.338 0.534) 0.742 20.412 ( 0.756 0.076 0.453) 0.885 ======================= Grid point 109 (62/84) ======================= q-point: ( 0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -3.377 3.141 -0.276) 4.620 0.762 ( -0.880 -3.356 -2.077) 4.044 0.966 ( 3.563 5.941 4.230) 8.116 1.029 ( 5.520 1.921 0.818) 5.901 1.093 ( 4.295 3.996 5.709) 8.186 1.169 ( 3.884 -1.588 -2.624) 4.949 1.323 ( 0.643 0.346 1.299) 1.490 1.352 ( 1.374 0.661 2.067) 2.568 1.415 ( 2.821 -3.038 -1.110) 4.292 1.431 ( 3.652 -1.131 -3.807) 5.395 1.478 ( 3.788 -5.937 3.373) 7.809 1.500 ( 3.084 -4.580 -0.525) 5.547 1.682 ( -0.261 -0.093 -3.903) 3.913 1.712 ( 1.658 -2.971 -3.328) 4.759 1.764 ( 1.674 0.657 1.730) 2.496 1.799 ( 2.160 -2.702 0.763) 3.542 1.933 ( 0.805 1.302 0.741) 1.700 1.954 ( 1.578 -1.038 0.687) 2.010 1.996 ( -0.792 3.205 0.407) 3.326 2.024 ( 1.137 0.389 0.707) 1.394 2.174 ( -3.002 5.906 -1.825) 6.872 2.230 ( 2.172 4.146 4.773) 6.685 2.271 ( -3.312 -2.721 0.828) 4.365 2.307 ( 1.372 -2.392 1.419) 3.101 2.407 ( 0.735 3.570 2.403) 4.365 2.443 ( 0.473 1.312 0.333) 1.434 2.485 ( -3.162 2.758 -5.003) 6.529 2.516 ( -1.047 -0.520 -2.643) 2.890 2.538 ( -2.244 3.164 -1.647) 4.214 2.598 ( -0.860 0.507 1.174) 1.541 2.629 ( -4.233 0.974 -2.034) 4.796 2.671 ( 0.744 -0.145 -1.808) 1.960 2.711 ( 3.965 1.446 5.019) 6.558 2.756 ( 5.569 -2.283 1.684) 6.250 2.792 ( 1.240 2.583 1.315) 3.153 2.848 ( 5.730 -1.509 -0.782) 5.976 2.926 ( 1.636 5.055 0.161) 5.316 3.003 ( 2.962 -1.120 -0.610) 3.225 3.029 ( -1.533 1.760 -1.553) 2.803 3.097 ( -2.795 -2.253 -2.293) 4.260 3.193 ( 0.878 -2.103 -2.069) 3.078 3.208 ( 4.647 -0.648 -0.922) 4.781 3.254 ( 0.353 7.148 2.520) 7.587 3.276 ( 1.911 2.909 1.078) 3.644 3.301 ( 1.009 -1.361 0.075) 1.696 3.448 ( 2.280 -3.653 0.396) 4.324 3.464 ( 5.984 4.124 0.255) 7.272 3.518 ( 2.720 -2.094 -1.485) 3.740 3.674 ( 1.726 -3.009 1.075) 3.631 3.692 ( 1.069 -8.134 -0.762) 8.239 3.748 ( -2.302 -0.609 -0.635) 2.464 3.854 ( 5.633 -10.660 3.231) 12.483 3.982 ( -4.706 3.983 1.482) 6.340 4.124 ( -1.057 -8.348 -2.755) 8.854 4.315 ( -0.536 1.246 0.769) 1.559 4.329 ( -0.137 -0.443 -0.232) 0.519 4.398 ( 0.752 2.172 1.706) 2.862 4.448 ( 0.580 -1.768 0.852) 2.046 4.604 ( -0.850 -1.732 -1.173) 2.258 4.631 ( 0.366 -4.514 -0.200) 4.534 4.785 ( -1.721 1.621 -0.725) 2.473 4.800 ( -0.107 0.579 -0.355) 0.688 4.906 ( -2.289 -1.181 -0.378) 2.603 4.912 ( -1.651 -1.152 0.103) 2.016 5.232 ( -5.959 3.384 1.502) 7.016 5.268 ( -5.106 0.332 1.851) 5.441 5.392 ( -1.492 4.778 -1.453) 5.212 5.433 ( -0.182 0.969 -1.843) 2.090 5.499 ( -4.290 11.545 2.808) 12.633 5.615 ( 0.034 3.537 1.096) 3.703 5.743 ( -1.233 1.817 0.834) 2.349 5.808 ( -0.898 -2.969 0.141) 3.105 5.966 ( 2.886 5.312 -0.866) 6.107 5.986 ( 3.055 5.258 -0.378) 6.093 6.192 ( 2.607 -10.341 -0.268) 10.668 6.197 ( 2.224 -11.029 0.380) 11.258 6.540 ( 1.395 -0.340 4.590) 4.810 6.553 ( 1.607 -1.575 3.746) 4.370 6.947 ( 3.531 3.953 -3.488) 6.346 7.010 ( 5.416 -2.157 -7.908) 9.825 8.320 ( 3.034 8.293 0.199) 8.832 8.356 ( 4.595 6.247 -0.566) 7.776 8.588 ( 2.383 -6.135 3.109) 7.279 8.633 ( 3.054 -8.076 -2.096) 8.885 9.187 ( -2.109 6.302 1.834) 6.894 9.290 ( 1.410 -2.017 0.114) 2.464 9.438 ( -0.265 4.275 2.358) 4.889 9.527 ( -0.514 0.819 0.099) 0.972 9.556 ( 0.711 -0.536 -4.013) 4.111 9.607 ( 1.462 -2.983 -1.622) 3.697 9.749 ( 0.469 -2.674 -0.447) 2.752 9.776 ( 1.436 -5.209 0.430) 5.421 10.134 ( -2.608 1.419 -1.330) 3.253 10.150 ( -1.626 -0.205 0.405) 1.688 10.175 ( -0.058 1.452 3.488) 3.779 10.201 ( -0.187 -0.880 1.144) 1.455 10.872 ( -1.910 1.005 0.556) 2.229 10.889 ( -1.465 -0.551 -1.014) 1.865 11.398 ( -7.454 1.162 1.598) 7.712 11.413 ( -6.630 -0.196 1.553) 6.812 12.337 ( -0.650 2.775 -2.319) 3.674 12.381 ( -0.326 -1.018 -1.550) 1.883 12.516 ( 4.048 5.048 -1.000) 6.547 12.628 ( 7.258 -5.439 -1.113) 9.138 18.946 ( -2.508 0.183 5.180) 5.758 18.954 ( -3.798 -0.594 5.903) 7.044 19.108 ( 1.895 2.835 -5.627) 6.579 19.165 ( 2.839 -2.627 -5.392) 6.636 19.464 ( -4.446 1.066 -0.424) 4.591 19.493 ( -4.527 -1.805 -1.423) 5.076 19.560 ( -1.761 2.221 0.894) 2.972 19.599 ( 1.216 -1.742 0.882) 2.300 19.688 ( -1.592 3.074 0.284) 3.473 19.750 ( 0.246 -2.815 1.462) 3.182 19.884 ( 4.794 2.270 -1.038) 5.404 19.918 ( 4.741 -1.132 -0.479) 4.898 20.367 ( -0.421 0.508 0.048) 0.661 20.379 ( -0.399 -0.592 -0.233) 0.751 20.441 ( 2.701 0.482 -0.448) 2.780 20.443 ( 2.367 0.244 -0.361) 2.406 ======================= Grid point 110 (63/84) ======================= q-point: ( 0.22 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -2.574 4.504 1.480) 5.394 0.711 ( -1.547 -2.138 -1.556) 3.064 1.060 ( 3.732 3.426 1.823) 5.385 1.128 ( 2.684 -1.497 -0.033) 3.074 1.200 ( 6.104 0.941 -3.794) 7.248 1.224 ( 4.742 -0.762 0.154) 4.805 1.353 ( 0.391 -1.309 0.238) 1.387 1.417 ( 2.416 -4.306 -1.190) 5.079 1.452 ( 4.298 1.558 -2.637) 5.278 1.457 ( 3.155 1.851 1.069) 3.811 1.570 ( 5.781 -0.537 -0.630) 5.840 1.608 ( 4.961 -2.083 1.035) 5.479 1.671 ( 3.324 -2.698 -0.371) 4.297 1.680 ( 0.953 -3.420 -2.273) 4.215 1.843 ( 4.013 1.521 2.073) 4.766 1.872 ( 3.646 -0.918 2.390) 4.455 1.947 ( 2.169 2.118 -2.505) 3.932 1.978 ( 0.398 -0.638 0.329) 0.821 1.991 ( -0.060 3.584 0.874) 3.690 2.051 ( 1.241 -1.304 0.464) 1.859 2.111 ( -3.131 2.954 0.185) 4.308 2.201 ( -3.342 -4.584 -1.323) 5.825 2.273 ( -2.102 1.641 1.271) 2.954 2.288 ( -2.922 1.172 -1.619) 3.540 2.364 ( -3.932 3.507 1.014) 5.365 2.424 ( -1.343 -2.160 -0.170) 2.549 2.455 ( -1.131 0.652 -2.188) 2.547 2.480 ( 0.094 -0.368 -1.000) 1.069 2.485 ( 0.840 5.777 -3.847) 6.992 2.557 ( -3.084 -0.217 -0.561) 3.142 2.587 ( 2.579 -2.130 -2.094) 3.946 2.620 ( -0.188 -3.298 -2.791) 4.324 2.785 ( 0.503 2.971 -0.326) 3.031 2.817 ( 0.583 -0.752 0.243) 0.982 2.876 ( -0.540 4.762 -4.640) 6.670 2.913 ( 4.580 3.936 1.952) 6.346 2.951 ( 0.183 -1.697 -4.079) 4.422 2.998 ( 3.127 -1.603 0.253) 3.523 3.106 ( -1.064 0.970 1.038) 1.774 3.112 ( 2.449 -4.874 1.107) 5.566 3.175 ( 9.034 2.618 4.354) 10.365 3.247 ( 3.684 -3.565 -0.664) 5.170 3.341 ( 4.043 3.238 2.470) 5.738 3.380 ( 4.939 4.727 3.764) 7.804 3.398 ( 7.668 0.429 3.481) 8.432 3.519 ( 2.701 2.930 -0.890) 4.084 3.526 ( 1.806 -0.764 -1.749) 2.628 3.574 ( 8.493 -3.521 -0.803) 9.229 3.681 ( 1.494 4.025 0.866) 4.380 3.768 ( 2.013 1.621 4.348) 5.059 3.795 ( 2.791 -3.403 3.033) 5.345 3.919 ( -3.011 -5.782 3.066) 7.203 4.004 ( 5.466 -6.252 1.839) 8.506 4.073 ( 0.488 -7.467 -3.128) 8.111 4.303 ( -2.996 1.502 1.652) 3.737 4.319 ( -1.496 -0.132 0.520) 1.589 4.452 ( 2.314 1.353 1.514) 3.079 4.495 ( 2.129 -1.756 2.284) 3.582 4.571 ( -1.825 -0.403 -0.834) 2.047 4.607 ( -2.512 -4.075 -0.673) 4.834 4.706 ( -3.538 2.636 -2.153) 4.909 4.776 ( -0.166 -2.909 -1.851) 3.452 4.869 ( -3.439 1.161 2.207) 4.248 4.899 ( -1.967 -1.719 1.902) 3.232 5.105 ( -7.896 4.859 -1.289) 9.360 5.177 ( -4.825 -1.252 -1.413) 5.181 5.287 ( -6.129 5.761 -2.621) 8.810 5.367 ( -4.318 -1.490 -2.310) 5.119 5.484 ( -3.469 9.089 3.017) 10.186 5.565 ( -3.348 1.613 -3.963) 5.433 5.741 ( -2.905 -4.226 2.022) 5.512 5.768 ( -1.687 -6.110 -0.707) 6.378 6.021 ( 6.674 10.344 -2.142) 12.496 6.069 ( 4.115 8.615 1.836) 9.723 6.242 ( 1.665 -8.465 0.964) 8.681 6.258 ( 5.140 -10.422 0.315) 11.625 6.607 ( 2.990 0.632 0.807) 3.161 6.635 ( 3.458 -2.050 2.130) 4.550 6.984 ( 3.479 3.997 -0.567) 5.329 7.049 ( 7.005 -2.260 -4.472) 8.613 8.410 ( 6.234 8.099 1.645) 10.352 8.485 ( 6.677 2.433 3.355) 7.859 8.677 ( 5.395 -2.416 1.552) 6.111 8.732 ( 6.329 -6.292 2.878) 9.377 9.172 ( -1.206 6.721 0.290) 6.834 9.306 ( 1.034 -5.126 -0.914) 5.308 9.419 ( -2.319 2.461 -2.902) 4.456 9.472 ( -3.157 -1.951 -4.726) 6.009 9.527 ( 1.273 3.685 -1.654) 4.235 9.606 ( -0.481 -3.738 0.004) 3.768 9.759 ( 2.167 0.847 -0.417) 2.364 9.830 ( 3.224 -5.729 1.146) 6.673 10.050 ( -2.206 1.098 -3.344) 4.154 10.073 ( -2.423 -1.036 -2.700) 3.773 10.248 ( -0.566 1.824 6.399) 6.678 10.269 ( 0.277 -0.033 6.348) 6.354 10.823 ( -3.175 0.873 -1.110) 3.475 10.850 ( -1.660 -1.465 -1.147) 2.493 11.254 ( -12.051 2.075 1.462) 12.315 11.290 ( -10.473 -1.129 1.708) 10.671 12.342 ( 3.549 1.508 -0.684) 3.916 12.374 ( 2.792 -1.454 -0.585) 3.202 12.585 ( 4.078 5.838 -0.608) 7.147 12.695 ( 3.289 -4.751 -2.305) 6.221 18.949 ( -3.593 0.370 4.545) 5.806 18.959 ( -3.184 -0.531 4.710) 5.710 19.071 ( 1.894 2.704 -5.842) 6.710 19.135 ( 1.957 -3.378 -6.526) 7.605 19.389 ( -4.428 0.522 1.125) 4.598 19.401 ( -4.321 -0.715 0.057) 4.380 19.531 ( -2.520 2.667 0.980) 3.798 19.573 ( -2.983 -1.222 0.447) 3.254 19.741 ( 3.817 2.136 1.746) 4.709 19.801 ( 2.456 -3.262 1.861) 4.487 19.962 ( 3.546 2.172 0.800) 4.235 19.994 ( 3.223 -1.001 0.679) 3.443 20.361 ( 0.228 0.077 -0.578) 0.626 20.368 ( 0.072 -0.536 -0.659) 0.853 20.482 ( 3.035 0.683 -0.689) 3.186 20.485 ( 3.140 0.430 -0.666) 3.239 ======================= Grid point 111 (64/84) ======================= q-point: ( 0.33 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -1.984 3.696 3.405) 5.402 0.680 ( -0.969 -1.720 0.854) 2.151 1.122 ( 0.236 -1.989 -3.378) 3.927 1.140 ( 2.194 -3.053 0.118) 3.762 1.245 ( 6.408 4.272 -4.330) 8.835 1.324 ( 5.799 -3.065 -0.724) 6.599 1.347 ( 0.769 0.506 -1.178) 1.494 1.387 ( 1.885 -1.732 -6.454) 6.943 1.485 ( 2.075 3.753 -1.007) 4.404 1.535 ( 2.417 -1.052 1.267) 2.924 1.617 ( 3.613 1.191 -3.391) 5.096 1.671 ( 1.650 -3.260 -0.916) 3.767 1.749 ( 5.034 -1.777 4.629) 7.065 1.772 ( 2.956 -2.771 3.351) 5.258 1.914 ( 1.078 2.140 -1.569) 2.864 1.954 ( -0.792 -0.405 -1.726) 1.941 1.967 ( 5.271 2.943 2.233) 6.437 1.974 ( -0.638 1.869 0.031) 1.975 2.023 ( 0.639 2.810 2.992) 4.154 2.051 ( -1.307 1.320 0.590) 1.949 2.093 ( 0.014 -3.379 -0.613) 3.434 2.142 ( -3.009 -4.442 2.996) 6.145 2.208 ( -2.842 -0.281 -0.476) 2.895 2.219 ( -2.366 -1.818 -1.683) 3.426 2.309 ( -2.698 1.594 -0.768) 3.227 2.355 ( -2.383 -2.541 -4.232) 5.481 2.413 ( -2.050 0.754 1.237) 2.510 2.446 ( -1.784 -2.111 -1.119) 2.981 2.481 ( -0.148 4.427 -0.019) 4.430 2.549 ( 2.438 0.079 -1.345) 2.786 2.619 ( 2.452 -0.319 -0.754) 2.585 2.636 ( 4.475 0.173 -2.359) 5.061 2.781 ( 0.997 2.155 -1.567) 2.845 2.814 ( 0.404 0.285 -1.131) 1.234 2.823 ( 0.358 -0.445 -0.500) 0.759 2.888 ( -1.898 -5.316 -1.961) 5.976 3.012 ( 4.893 5.687 1.400) 7.632 3.042 ( 2.263 3.024 -0.736) 3.848 3.071 ( -0.313 1.634 0.790) 1.842 3.200 ( 3.101 -7.647 3.100) 8.815 3.307 ( 5.951 5.356 -2.066) 8.268 3.423 ( 8.874 -1.048 3.054) 9.443 3.435 ( 1.282 1.558 1.093) 2.294 3.455 ( 0.759 3.951 -0.884) 4.119 3.492 ( 3.873 4.868 -5.630) 8.390 3.523 ( 4.815 0.455 -1.955) 5.217 3.589 ( 1.773 -2.480 1.774) 3.528 3.664 ( 2.053 -6.152 -3.280) 7.267 3.793 ( 1.725 1.489 0.658) 2.373 3.803 ( -1.725 0.718 1.126) 2.181 3.887 ( 7.932 2.743 8.309) 11.810 3.961 ( 2.970 -4.290 3.950) 6.544 4.082 ( 1.551 -3.282 -0.708) 3.698 4.092 ( 1.257 -4.756 3.352) 5.953 4.255 ( -3.946 1.903 0.595) 4.421 4.280 ( -2.829 -0.359 -0.523) 2.899 4.479 ( -0.712 3.486 -1.691) 3.939 4.512 ( -2.366 1.510 2.575) 3.809 4.540 ( 0.068 -1.135 -1.182) 1.640 4.580 ( -0.884 -4.960 2.386) 5.575 4.679 ( 0.934 3.550 2.397) 4.384 4.781 ( 1.744 -3.019 -0.306) 3.500 4.824 ( -3.839 1.168 0.755) 4.083 4.868 ( -4.317 -4.223 1.918) 6.336 4.973 ( -3.751 6.027 -1.106) 7.184 5.070 ( -4.914 -0.677 -2.485) 5.548 5.157 ( -4.467 2.846 -2.802) 5.992 5.256 ( -5.368 -3.835 -1.116) 6.691 5.413 ( -4.333 0.339 -4.324) 6.130 5.431 ( -5.038 -0.227 -4.445) 6.722 5.711 ( -1.930 -2.381 2.834) 4.174 5.754 ( -0.413 -5.461 0.370) 5.489 6.124 ( 5.865 10.515 -0.276) 12.044 6.161 ( 3.757 9.332 2.070) 10.271 6.282 ( 0.899 -6.028 2.333) 6.526 6.360 ( 4.835 -9.112 1.203) 10.385 6.668 ( 2.966 2.229 0.648) 3.766 6.717 ( 3.524 -2.347 1.178) 4.395 7.046 ( 2.188 4.276 2.180) 5.275 7.126 ( 6.635 -3.344 -3.027) 8.023 8.550 ( 5.595 6.013 3.011) 8.748 8.622 ( 3.309 -0.606 3.849) 5.112 8.805 ( 6.323 2.976 1.006) 7.060 8.879 ( 7.100 -3.895 1.221) 8.190 9.151 ( -1.052 5.570 -0.414) 5.684 9.297 ( -0.821 -7.734 -4.427) 8.949 9.317 ( -1.887 1.976 -3.323) 4.302 9.358 ( -2.375 -1.929 -3.349) 4.536 9.539 ( 1.840 2.678 -0.861) 3.361 9.598 ( -0.324 -2.994 0.118) 3.014 9.818 ( 3.506 2.983 0.653) 4.649 9.881 ( -0.603 -3.144 1.601) 3.579 9.990 ( -0.707 0.552 -2.321) 2.489 10.029 ( 1.227 -2.898 -1.997) 3.727 10.302 ( -1.954 2.544 6.155) 6.941 10.326 ( -2.035 0.313 5.423) 5.800 10.751 ( -2.445 1.554 -1.909) 3.470 10.804 ( -0.991 -3.267 -2.215) 4.070 11.039 ( -11.116 3.364 -1.541) 11.715 11.103 ( -10.820 -2.476 -0.936) 11.139 12.415 ( 3.406 1.331 0.728) 3.729 12.441 ( 2.904 -0.944 1.160) 3.266 12.650 ( 3.189 2.906 1.598) 4.601 12.713 ( 2.040 -2.926 -1.173) 3.755 18.935 ( -3.539 0.613 3.611) 5.093 18.952 ( -3.286 -0.937 3.662) 5.008 19.042 ( 2.419 1.990 -5.183) 6.056 19.091 ( 2.074 -2.659 -6.220) 7.075 19.336 ( -3.152 1.375 1.808) 3.885 19.362 ( -2.250 -1.099 2.113) 3.276 19.500 ( -1.936 2.278 0.350) 3.010 19.532 ( -2.043 -0.731 0.010) 2.170 19.816 ( 2.058 0.979 1.498) 2.728 19.855 ( 1.211 -2.531 1.226) 3.062 20.010 ( 1.264 1.584 0.384) 2.063 20.035 ( 1.175 -0.885 0.006) 1.472 20.364 ( 0.810 -0.007 -0.416) 0.911 20.372 ( 0.765 -0.735 -0.201) 1.079 20.532 ( 2.988 0.859 0.169) 3.113 20.534 ( 2.906 0.672 0.074) 2.984 ======================= Grid point 112 (65/84) ======================= q-point: ( 0.44 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -0.908 1.592 3.433) 3.891 0.703 ( -0.064 -3.981 2.885) 4.917 1.074 ( -0.054 1.061 -3.389) 3.552 1.137 ( -0.184 -3.911 -2.328) 4.556 1.307 ( 0.971 1.922 -1.186) 2.458 1.331 ( 2.106 0.469 -3.954) 4.504 1.368 ( 2.943 0.825 0.685) 3.132 1.424 ( 4.947 -3.709 -2.669) 6.734 1.512 ( 2.356 4.310 -1.164) 5.048 1.565 ( 0.088 -1.223 -0.147) 1.235 1.619 ( 1.616 2.410 -2.333) 3.723 1.694 ( 1.889 -3.567 0.131) 4.038 1.790 ( -5.281 0.851 -2.928) 6.098 1.819 ( -1.981 -3.418 -0.551) 3.989 1.877 ( -0.649 1.576 -3.182) 3.610 1.894 ( -0.477 -0.676 -0.325) 0.889 1.967 ( 1.698 -0.033 1.222) 2.092 2.005 ( 0.072 -1.324 -1.935) 2.346 2.018 ( -2.530 0.719 0.455) 2.669 2.041 ( -1.024 -3.989 -0.030) 4.119 2.147 ( -0.667 0.614 2.880) 3.019 2.170 ( 1.209 3.304 2.711) 4.441 2.194 ( 0.088 -3.016 2.789) 4.109 2.213 ( 2.410 -1.180 0.367) 2.708 2.272 ( -0.107 -1.719 -1.306) 2.161 2.334 ( 1.954 -5.071 3.303) 6.360 2.394 ( -1.334 0.727 1.522) 2.150 2.413 ( -0.698 -0.915 1.774) 2.115 2.492 ( 0.028 4.489 1.434) 4.713 2.572 ( 1.183 -1.941 -0.684) 2.374 2.629 ( 0.558 3.403 -1.135) 3.631 2.677 ( 2.668 0.436 -1.802) 3.249 2.803 ( 1.865 1.700 0.284) 2.539 2.815 ( 0.896 -1.007 -2.005) 2.416 2.858 ( 1.337 -1.236 -0.291) 1.843 2.867 ( 1.948 -2.581 0.303) 3.248 3.091 ( 3.226 4.395 2.324) 5.927 3.109 ( 1.161 3.823 3.934) 5.607 3.120 ( 4.671 3.209 1.239) 5.801 3.282 ( 2.027 -0.826 -1.875) 2.882 3.298 ( -1.510 2.426 -3.352) 4.405 3.382 ( -4.049 3.030 -1.914) 5.408 3.422 ( 0.706 3.711 -3.410) 5.089 3.500 ( -0.180 0.480 -2.463) 2.516 3.504 ( 0.822 -4.150 -3.997) 5.820 3.551 ( -4.055 -4.158 -5.199) 7.795 3.614 ( 2.847 -0.114 0.369) 2.873 3.649 ( 2.577 -3.356 -1.101) 4.372 3.760 ( -1.227 1.944 -0.314) 2.320 3.793 ( 0.227 -0.740 -0.067) 0.777 4.050 ( 1.144 3.499 4.208) 5.591 4.071 ( -0.580 1.264 0.918) 1.666 4.130 ( 1.724 -0.138 5.286) 5.562 4.145 ( 2.471 -3.066 1.207) 4.119 4.194 ( -2.367 0.247 0.456) 2.423 4.216 ( -4.149 -0.519 -0.335) 4.194 4.431 ( -0.425 5.043 -0.838) 5.130 4.516 ( -1.722 2.522 2.766) 4.120 4.544 ( 1.804 -3.384 -1.404) 4.084 4.578 ( -2.691 -3.433 1.304) 4.553 4.742 ( -1.350 4.340 2.679) 5.276 4.775 ( 3.895 2.639 2.596) 5.374 4.820 ( 0.189 -1.784 1.010) 2.059 4.868 ( 1.521 -4.215 3.297) 5.564 4.952 ( 0.771 2.651 -0.893) 2.902 4.972 ( -4.453 2.900 0.439) 5.332 5.078 ( -0.134 -4.140 -2.151) 4.667 5.155 ( -5.661 -6.848 -0.894) 8.930 5.253 ( -3.092 0.484 -7.988) 8.579 5.328 ( -0.513 -5.473 -5.651) 7.883 5.736 ( -0.030 -1.236 3.086) 3.325 5.762 ( 0.433 -3.762 0.921) 3.897 6.200 ( 1.442 8.472 1.940) 8.810 6.236 ( 2.714 11.274 0.513) 11.607 6.329 ( 0.167 -4.702 3.789) 6.041 6.432 ( 1.911 -7.528 0.583) 7.788 6.713 ( -0.040 3.013 2.023) 3.629 6.773 ( 0.896 -2.636 1.206) 3.034 7.099 ( 0.314 4.624 2.755) 5.391 7.199 ( 5.707 -4.968 -2.742) 8.048 8.646 ( 1.175 3.609 2.916) 4.786 8.675 ( -2.056 0.551 3.488) 4.086 8.880 ( 3.597 5.761 -3.091) 7.462 8.946 ( 0.119 0.447 -3.351) 3.383 9.158 ( 3.570 0.666 0.574) 3.677 9.229 ( 2.357 -3.635 -3.359) 5.482 9.287 ( -2.072 -1.881 -0.645) 2.872 9.309 ( -1.945 -2.666 -1.011) 3.452 9.581 ( 3.311 1.107 0.318) 3.506 9.603 ( 1.151 -1.286 0.003) 1.726 9.840 ( -4.614 -0.790 1.029) 4.793 9.851 ( -0.017 -1.067 -0.862) 1.372 9.988 ( 2.584 2.644 -1.036) 3.840 10.045 ( 1.772 -2.156 -1.873) 3.361 10.325 ( -3.178 2.146 5.513) 6.716 10.338 ( -2.580 0.996 4.346) 5.151 10.719 ( 1.284 2.538 -0.865) 2.973 10.787 ( 1.887 -3.673 -1.256) 4.316 10.872 ( -4.531 1.451 -3.343) 5.815 10.919 ( -7.323 -2.539 -2.659) 8.194 12.452 ( 0.652 1.311 0.048) 1.465 12.471 ( -0.081 -0.321 -0.150) 0.363 12.724 ( 1.222 0.939 3.217) 3.567 12.757 ( 2.965 -2.056 0.839) 3.704 18.913 ( -3.592 0.813 3.133) 4.835 18.935 ( -3.284 -1.274 3.156) 4.729 19.037 ( 3.743 1.296 -4.545) 6.029 19.068 ( 3.164 -1.647 -5.086) 6.212 19.327 ( -1.003 2.067 2.562) 3.441 19.363 ( -0.683 -1.321 2.064) 2.544 19.475 ( -1.059 1.753 -0.076) 2.049 19.502 ( -1.144 -0.760 -0.478) 1.454 19.842 ( -0.197 0.236 0.584) 0.660 19.866 ( -0.620 -1.905 -0.004) 2.004 20.028 ( 0.515 1.172 0.331) 1.323 20.047 ( 0.536 -0.719 -0.228) 0.925 20.374 ( 0.585 -0.151 -0.160) 0.625 20.380 ( 0.260 -0.735 -0.146) 0.793 20.579 ( 1.280 0.898 0.762) 1.740 20.579 ( 1.594 0.886 0.584) 1.914 ======================= Grid point 113 (66/84) ======================= q-point: (-0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.015 -0.681 3.854) 3.914 0.721 ( 0.072 -4.046 0.762) 4.117 1.053 ( -0.859 1.260 0.111) 1.529 1.085 ( -1.843 -1.262 -3.072) 3.798 1.247 ( -4.234 4.038 -1.369) 6.009 1.299 ( -1.556 -0.692 -3.472) 3.867 1.420 ( -1.870 2.914 1.576) 3.804 1.464 ( 1.326 -1.906 0.589) 2.396 1.528 ( 2.482 0.784 -1.907) 3.227 1.558 ( 0.626 -1.599 -1.229) 2.111 1.620 ( -4.927 1.251 -2.775) 5.791 1.659 ( 3.820 2.907 -0.666) 4.846 1.704 ( -5.593 -5.956 -2.308) 8.490 1.757 ( 3.264 -5.031 0.807) 6.051 1.854 ( 0.410 1.573 -0.834) 1.827 1.883 ( 0.387 -0.892 -1.587) 1.861 1.983 ( -1.913 -0.889 0.459) 2.159 1.990 ( -1.283 -1.650 -0.008) 2.090 2.011 ( -0.181 -1.159 -0.183) 1.187 2.040 ( 1.612 -2.423 -0.183) 2.916 2.145 ( -2.244 -0.463 0.707) 2.398 2.166 ( 0.407 -1.528 2.254) 2.753 2.206 ( -0.114 -0.404 -0.879) 0.974 2.252 ( 2.140 -3.851 0.461) 4.430 2.316 ( -1.065 0.637 -0.610) 1.383 2.342 ( 2.301 -1.831 -1.993) 3.552 2.475 ( 3.129 4.161 8.554) 10.014 2.487 ( -2.185 3.612 2.517) 4.915 2.536 ( 1.678 0.182 6.062) 6.293 2.558 ( -0.231 -1.635 -0.851) 1.858 2.649 ( 1.805 1.898 2.393) 3.548 2.700 ( 1.021 -0.965 0.125) 1.411 2.762 ( -2.781 0.121 -6.818) 7.364 2.795 ( -1.826 -2.654 -7.177) 7.867 2.829 ( -2.137 3.501 -1.736) 4.454 2.881 ( 0.254 -1.049 -2.062) 2.327 3.134 ( -2.776 5.972 1.398) 6.732 3.181 ( 0.094 2.797 3.341) 4.359 3.192 ( 0.313 1.692 0.883) 1.934 3.215 ( -1.094 5.276 -0.424) 5.405 3.235 ( -6.242 -1.586 -3.620) 7.388 3.279 ( -1.477 -0.849 -0.559) 1.793 3.394 ( -3.014 0.295 0.086) 3.030 3.414 ( 1.142 -2.718 1.794) 3.451 3.480 ( -1.427 2.479 -0.938) 3.010 3.524 ( -0.008 1.681 -0.852) 1.885 3.584 ( -1.803 -3.590 -5.249) 6.609 3.609 ( 0.840 -3.088 -2.161) 3.862 3.780 ( -1.790 1.583 3.030) 3.859 3.791 ( -2.969 0.410 1.451) 3.330 4.057 ( -5.507 3.524 4.180) 7.760 4.108 ( 2.058 2.550 -0.319) 3.292 4.115 ( -4.807 0.147 1.949) 5.189 4.164 ( 4.546 -0.141 0.729) 4.606 4.187 ( 2.613 -2.262 -2.768) 4.428 4.223 ( 1.641 -2.264 3.005) 4.105 4.427 ( -3.098 1.897 1.578) 3.960 4.502 ( -3.901 -2.993 -1.511) 5.144 4.542 ( 2.256 0.235 0.575) 2.340 4.582 ( 3.285 -2.588 -1.018) 4.304 4.795 ( 0.521 5.575 3.963) 6.860 4.850 ( 1.158 1.861 1.261) 2.529 4.874 ( -0.589 2.261 1.114) 2.588 4.908 ( 4.359 1.903 1.084) 4.878 4.959 ( 0.143 -1.231 2.599) 2.880 4.980 ( 2.742 -0.546 0.314) 2.814 5.039 ( -4.340 -5.293 -1.058) 6.926 5.094 ( 2.071 -5.674 -0.196) 6.043 5.165 ( 2.834 1.414 -6.157) 6.924 5.281 ( 4.486 -8.848 -7.113) 12.207 5.766 ( 0.258 -1.132 1.444) 1.853 5.785 ( 0.930 -2.987 0.505) 3.169 6.206 ( -3.138 9.696 1.426) 10.290 6.260 ( -0.411 10.440 -0.155) 10.449 6.365 ( -1.515 -5.061 3.581) 6.382 6.441 ( -0.649 -6.096 -0.706) 6.171 6.705 ( -4.517 2.174 3.273) 5.987 6.759 ( -4.407 -3.057 1.209) 5.498 7.117 ( -0.810 6.178 0.876) 6.292 7.250 ( 3.947 -6.517 -3.301) 8.304 8.661 ( -3.879 2.688 4.049) 6.218 8.675 ( -1.848 1.458 4.125) 4.749 8.862 ( -2.424 4.424 -3.536) 6.161 8.880 ( 0.426 2.727 -3.027) 4.096 9.188 ( -4.303 0.721 -2.061) 4.825 9.233 ( -3.962 -3.350 -1.796) 5.490 9.275 ( 4.610 -2.602 1.122) 5.411 9.281 ( 4.462 -3.378 -0.536) 5.622 9.602 ( -1.166 1.688 -0.634) 2.148 9.639 ( 1.651 -0.962 -2.322) 3.007 9.794 ( -1.607 0.313 2.249) 2.782 9.839 ( 0.278 -2.845 0.174) 2.864 10.013 ( 0.881 1.561 -0.744) 1.941 10.036 ( 0.456 -0.649 -2.012) 2.163 10.335 ( -2.511 2.616 4.842) 6.050 10.357 ( -1.222 0.613 4.585) 4.785 10.766 ( 0.872 0.564 -1.696) 1.989 10.779 ( -2.456 -0.971 -0.976) 2.816 10.807 ( 4.908 1.658 -2.619) 5.805 10.877 ( 7.236 -3.759 -1.185) 8.240 12.454 ( -1.125 0.757 -0.003) 1.356 12.456 ( -0.281 0.477 0.322) 0.641 12.752 ( -1.497 1.899 1.666) 2.936 12.809 ( 1.899 -3.559 -0.185) 4.038 18.886 ( -3.666 1.033 2.919) 4.799 18.913 ( -3.364 -1.575 2.883) 4.702 19.060 ( 4.803 0.787 -4.230) 6.449 19.077 ( 4.077 -0.756 -4.145) 5.863 19.356 ( 0.769 1.999 2.194) 3.066 19.383 ( 1.136 -0.288 0.662) 1.346 19.470 ( 0.284 0.419 0.699) 0.863 19.484 ( -0.054 -0.662 -0.585) 0.886 19.839 ( -0.845 -0.388 1.012) 1.374 19.849 ( -1.044 -1.343 0.170) 1.710 20.034 ( -0.381 0.784 0.389) 0.954 20.045 ( -0.402 -0.324 -0.394) 0.649 20.376 ( -0.462 -0.313 -0.226) 0.602 20.378 ( 0.041 -0.560 -0.072) 0.566 20.588 ( -1.002 1.210 0.303) 1.600 20.595 ( -0.451 0.605 0.257) 0.797 ======================= Grid point 114 (67/84) ======================= q-point: (-0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 0.025 1.669 0.060) 1.670 0.755 ( 0.922 -3.500 1.629) 3.969 0.966 ( -6.620 4.369 -0.452) 7.945 1.061 ( -1.600 -3.546 1.518) 4.176 1.153 ( -5.642 4.377 -0.197) 7.143 1.229 ( -2.565 -1.814 -0.706) 3.220 1.353 ( -5.687 7.474 -0.253) 9.395 1.462 ( -0.313 -0.105 -3.259) 3.275 1.488 ( -0.944 -3.688 -3.796) 5.376 1.521 ( -2.830 -5.962 -0.871) 6.657 1.580 ( -0.604 0.205 0.678) 0.931 1.631 ( -1.788 -5.250 1.467) 5.736 1.761 ( 1.467 1.395 4.449) 4.887 1.811 ( -1.386 -3.190 3.430) 4.885 1.873 ( 2.659 1.278 -1.126) 3.158 1.887 ( 2.690 -0.027 -0.889) 2.833 1.948 ( -2.428 -0.394 -0.007) 2.460 1.962 ( -1.105 -1.732 0.402) 2.094 2.017 ( -0.273 -0.514 2.263) 2.337 2.056 ( 0.181 -1.410 0.174) 1.432 2.105 ( -3.842 0.191 0.691) 3.909 2.161 ( -1.991 -2.361 -0.332) 3.106 2.226 ( 1.285 1.643 -0.899) 2.271 2.259 ( -2.226 0.843 -3.775) 4.463 2.311 ( 2.635 1.241 0.702) 2.996 2.369 ( 1.909 -2.535 0.730) 3.257 2.430 ( -4.908 1.208 -1.884) 5.395 2.480 ( -4.774 0.367 -2.721) 5.507 2.549 ( -3.415 1.918 -7.766) 8.698 2.579 ( -1.239 0.565 -2.321) 2.691 2.593 ( -0.576 3.077 -1.658) 3.542 2.642 ( 0.791 0.994 2.784) 3.060 2.723 ( -0.691 -1.347 2.480) 2.906 2.754 ( 0.905 -3.408 3.865) 5.232 2.817 ( 1.846 0.504 0.445) 1.965 2.870 ( 0.684 -2.654 -0.812) 2.859 3.036 ( -5.204 3.376 -2.379) 6.643 3.064 ( -7.054 0.139 -2.709) 7.558 3.133 ( -4.628 5.875 -1.943) 7.728 3.194 ( -2.507 2.762 -0.894) 3.836 3.232 ( 0.478 5.190 3.585) 6.326 3.289 ( -4.072 2.366 2.280) 5.233 3.379 ( -1.947 -2.309 5.176) 5.992 3.395 ( -3.068 -2.842 -0.412) 4.203 3.474 ( 0.982 1.216 0.325) 1.596 3.533 ( -1.688 1.554 2.159) 3.151 3.572 ( 1.079 -4.130 -1.596) 4.557 3.591 ( -1.146 -5.840 0.859) 6.013 3.761 ( 0.803 -0.103 1.422) 1.636 3.765 ( -0.577 0.268 1.553) 1.678 4.014 ( -5.643 2.825 2.742) 6.881 4.064 ( -6.473 -2.472 3.601) 7.808 4.124 ( 0.148 1.475 0.943) 1.757 4.187 ( 2.287 -4.925 -3.391) 6.402 4.273 ( 0.463 1.976 -2.169) 2.970 4.285 ( 4.110 0.982 1.682) 4.548 4.393 ( -1.784 1.977 3.285) 4.228 4.441 ( 0.089 -2.551 -0.606) 2.624 4.586 ( 1.098 -0.479 0.594) 1.337 4.602 ( 0.659 -0.943 -0.334) 1.198 4.793 ( -0.828 4.037 -1.419) 4.358 4.856 ( -0.892 -1.443 -0.368) 1.736 4.903 ( 2.167 0.366 -4.009) 4.572 4.934 ( 2.230 -0.545 1.458) 2.720 4.981 ( 1.856 1.142 -2.972) 3.685 5.011 ( 1.535 -1.093 0.312) 1.910 5.093 ( 4.254 1.570 5.507) 7.134 5.153 ( 4.025 -2.934 -3.051) 5.841 5.193 ( 7.318 3.135 0.900) 8.012 5.339 ( 7.290 -8.730 -1.441) 11.464 5.778 ( 0.103 -0.867 0.200) 0.896 5.800 ( 0.810 -2.933 -0.563) 3.095 6.131 ( -5.990 11.111 -0.288) 12.626 6.219 ( -3.640 8.852 -0.354) 9.578 6.346 ( -4.043 -6.908 1.052) 8.073 6.399 ( -3.033 -5.832 -0.834) 6.626 6.642 ( -7.024 0.168 2.980) 7.631 6.660 ( -8.346 -1.932 2.236) 8.854 7.089 ( -1.903 7.922 -1.623) 8.307 7.248 ( 1.436 -7.269 -4.999) 8.939 8.641 ( -4.103 4.804 2.649) 6.850 8.693 ( -3.317 2.531 5.943) 7.262 8.766 ( -4.553 1.307 -2.990) 5.602 8.827 ( -4.219 -1.924 -0.156) 4.640 9.126 ( 0.054 1.762 0.624) 1.870 9.168 ( -0.832 -2.967 0.147) 3.085 9.328 ( 1.724 -0.930 -2.267) 2.996 9.348 ( 1.711 -2.237 -0.292) 2.832 9.545 ( -1.254 2.466 -2.645) 3.828 9.595 ( -0.556 -1.501 -3.332) 3.696 9.816 ( -1.340 1.636 2.477) 3.256 9.852 ( -0.651 -1.966 1.644) 2.645 10.003 ( -0.779 -0.202 -0.568) 0.985 10.029 ( 1.493 -2.571 -1.815) 3.483 10.363 ( -0.619 2.977 4.145) 5.141 10.395 ( -0.412 -0.185 3.156) 3.188 10.738 ( 0.317 -0.410 -0.985) 1.113 10.755 ( 3.045 -1.944 -2.517) 4.402 10.964 ( 11.525 4.614 0.819) 12.441 11.042 ( 11.434 -2.897 1.168) 11.853 12.434 ( -1.424 1.807 0.144) 2.306 12.453 ( -1.088 -0.043 0.424) 1.168 12.714 ( -3.489 2.583 -0.202) 4.346 12.796 ( -1.497 -5.352 -3.574) 6.607 18.862 ( -3.171 1.065 3.387) 4.760 18.893 ( -2.959 -1.837 3.311) 4.805 19.093 ( 4.628 0.670 -4.198) 6.284 19.103 ( 4.125 -0.123 -3.676) 5.526 19.387 ( 1.774 2.033 -0.480) 2.741 19.421 ( 2.586 -0.848 -0.496) 2.766 19.489 ( 1.477 0.842 0.657) 1.823 19.508 ( 2.078 -0.761 1.229) 2.531 19.837 ( -1.181 -0.430 0.932) 1.565 19.845 ( -0.671 -1.212 1.893) 2.345 20.025 ( -0.960 0.316 0.041) 1.011 20.027 ( -1.001 0.091 -0.153) 1.017 20.360 ( -0.902 0.256 -0.259) 0.973 20.372 ( -0.552 -0.895 -0.213) 1.073 20.551 ( -3.076 1.494 -0.513) 3.458 20.567 ( -2.532 0.047 -0.740) 2.638 ======================= Grid point 115 (68/84) ======================= q-point: (-0.22 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 1.510 4.679 -0.019) 4.917 0.760 ( 0.336 0.060 -2.744) 2.765 0.887 ( -6.277 7.812 7.738) 12.661 1.043 ( -7.010 4.806 -0.705) 8.528 1.052 ( -2.739 -7.119 3.905) 8.569 1.195 ( -2.552 -6.066 2.058) 6.895 1.250 ( -4.346 4.028 -0.469) 5.944 1.365 ( -5.597 -5.540 -1.645) 8.045 1.461 ( -0.516 0.256 -0.099) 0.584 1.491 ( -0.257 -2.132 -0.912) 2.333 1.564 ( -1.446 0.539 -0.938) 1.806 1.604 ( -2.984 -3.775 0.180) 4.815 1.768 ( -4.074 0.407 2.251) 4.673 1.775 ( -4.414 -0.494 -0.734) 4.502 1.848 ( -8.911 3.956 -4.372) 10.685 1.868 ( -3.343 0.142 -0.060) 3.346 1.903 ( -2.535 1.158 -0.120) 2.790 1.957 ( 0.031 -2.427 0.879) 2.581 2.018 ( -1.255 4.151 4.769) 6.445 2.049 ( -0.830 1.078 0.420) 1.424 2.068 ( -2.007 0.970 0.795) 2.367 2.142 ( -0.289 1.623 -0.700) 1.791 2.182 ( 1.176 -0.676 3.688) 3.930 2.210 ( -0.535 -2.991 -0.360) 3.060 2.355 ( 1.735 3.231 0.059) 3.668 2.393 ( 2.740 0.148 0.993) 2.918 2.425 ( 2.310 -1.902 -0.378) 3.016 2.439 ( 0.910 -1.839 0.744) 2.182 2.492 ( 0.935 0.615 -2.066) 2.350 2.538 ( 0.757 -1.541 -1.772) 2.467 2.590 ( 1.856 2.834 -2.613) 4.278 2.657 ( 0.422 -1.771 -2.001) 2.705 2.733 ( -0.422 0.031 1.350) 1.414 2.788 ( 0.498 -3.228 1.195) 3.478 2.842 ( 0.275 1.066 -0.476) 1.199 2.896 ( -0.503 -3.181 0.993) 3.370 2.935 ( -4.689 1.849 -0.276) 5.048 2.957 ( -1.011 -0.011 -0.395) 1.086 3.059 ( -3.042 5.860 1.456) 6.761 3.140 ( -1.850 5.132 -1.108) 5.567 3.187 ( -5.410 -2.688 0.818) 6.096 3.280 ( -5.440 0.851 2.047) 5.875 3.341 ( -2.197 -1.545 1.031) 2.877 3.357 ( -2.451 2.684 2.188) 4.242 3.453 ( -3.545 -0.259 -0.715) 3.626 3.510 ( -0.161 -4.565 -0.317) 4.579 3.572 ( -0.260 -1.466 0.064) 1.490 3.615 ( 0.007 -2.779 0.451) 2.816 3.804 ( -0.358 0.596 -0.085) 0.700 3.815 ( 1.364 -0.501 1.936) 2.421 3.885 ( -8.152 3.021 -0.856) 8.736 3.956 ( -7.742 -4.384 0.893) 8.942 4.088 ( -3.132 1.293 -2.731) 4.352 4.164 ( -0.960 -5.051 -3.794) 6.390 4.260 ( 2.290 1.847 0.266) 2.954 4.321 ( 2.274 -2.838 -0.962) 3.762 4.439 ( 0.076 1.642 3.690) 4.039 4.486 ( 1.185 -2.188 2.898) 3.820 4.593 ( 1.180 1.673 -2.140) 2.961 4.634 ( 2.816 -1.839 -0.027) 3.363 4.739 ( -1.314 2.781 -2.976) 4.280 4.815 ( -0.842 -3.353 -3.660) 5.034 4.921 ( 2.435 1.905 -1.391) 3.390 4.960 ( 1.786 -1.834 -1.709) 3.078 5.029 ( 3.200 2.177 4.226) 5.730 5.069 ( 2.419 -1.282 3.407) 4.370 5.179 ( 4.674 5.002 -0.271) 6.852 5.249 ( 5.286 -1.449 1.495) 5.682 5.374 ( 8.882 4.426 3.803) 10.627 5.466 ( 6.161 -2.858 2.160) 7.127 5.781 ( 0.224 -1.497 0.037) 1.514 5.801 ( 0.579 -2.984 -0.965) 3.189 6.004 ( -7.096 11.927 -1.244) 13.934 6.140 ( -4.094 6.775 -1.169) 8.002 6.261 ( -5.981 -9.644 -0.079) 11.348 6.318 ( -4.544 -7.317 -1.156) 8.690 6.535 ( -7.544 0.849 2.536) 8.004 6.565 ( -7.455 -1.889 3.848) 8.600 7.024 ( -2.100 8.726 -2.752) 9.388 7.189 ( 0.213 -7.036 -6.581) 9.637 8.535 ( -6.771 5.510 -3.394) 9.366 8.617 ( -6.718 1.836 -2.896) 7.542 8.694 ( -4.880 0.109 3.167) 5.819 8.788 ( -2.619 -4.882 2.740) 6.181 9.173 ( 0.426 1.887 3.504) 4.003 9.214 ( 2.469 -2.196 2.483) 4.133 9.287 ( 0.098 2.693 -3.259) 4.229 9.336 ( -0.567 -1.475 0.085) 1.583 9.535 ( 2.671 1.456 -2.173) 3.738 9.584 ( 1.434 -2.775 -0.705) 3.202 9.781 ( -3.428 2.916 0.504) 4.528 9.844 ( -2.739 -3.972 0.728) 4.879 9.993 ( 0.285 0.319 0.418) 0.598 10.042 ( 1.310 -3.535 -0.248) 3.778 10.381 ( -1.740 1.080 1.137) 2.342 10.396 ( -1.990 -0.313 0.294) 2.036 10.772 ( 3.546 1.297 0.511) 3.810 10.813 ( 4.821 -2.409 -0.401) 5.405 11.226 ( 16.479 5.047 2.621) 17.433 11.287 ( 14.028 -1.262 1.827) 14.203 12.379 ( -4.628 2.409 -1.982) 5.581 12.415 ( -3.266 -0.365 -0.992) 3.433 12.650 ( -3.197 -0.286 0.121) 3.212 12.665 ( -6.193 -2.523 -5.774) 8.835 18.861 ( -2.345 0.898 4.494) 5.148 18.895 ( -2.373 -2.261 4.901) 5.896 19.119 ( 4.111 0.893 -4.121) 5.889 19.130 ( 4.111 -0.097 -3.881) 5.654 19.419 ( 2.934 1.615 -0.796) 3.442 19.450 ( 2.563 -1.217 -1.586) 3.251 19.540 ( 2.790 1.503 0.662) 3.238 19.564 ( 2.715 -0.754 0.846) 2.942 19.811 ( -2.556 1.023 -0.527) 2.803 19.847 ( -1.406 -2.280 0.609) 2.747 20.009 ( -0.291 0.758 -0.581) 0.999 20.017 ( -0.600 -0.017 0.185) 0.628 20.342 ( -0.891 0.475 -0.064) 1.012 20.356 ( -0.893 -0.885 -0.297) 1.292 20.478 ( -4.022 1.206 -0.644) 4.248 20.492 ( -4.124 -0.082 -1.458) 4.375 ======================= Grid point 116 (69/84) ======================= q-point: (-0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -1.153 4.048 -2.121) 4.713 0.729 ( 0.273 1.729 -1.359) 2.216 0.904 ( -7.248 10.840 4.155) 13.686 0.938 ( -1.837 5.609 7.581) 9.608 1.046 ( -4.126 -5.698 3.399) 7.813 1.190 ( -0.320 -11.423 2.847) 11.777 1.231 ( -2.185 -0.128 5.298) 5.732 1.265 ( -5.309 -4.407 2.487) 7.335 1.452 ( 0.534 0.311 -2.505) 2.580 1.462 ( -0.751 -0.641 -3.862) 3.986 1.516 ( -4.306 1.343 -0.571) 4.547 1.533 ( -1.117 0.695 -1.642) 2.104 1.664 ( -4.208 1.899 -0.202) 4.621 1.681 ( -1.299 -1.474 -1.961) 2.776 1.762 ( -3.539 4.857 4.525) 7.522 1.815 ( -3.282 0.297 1.641) 3.681 1.857 ( -1.174 2.363 -1.147) 2.877 1.968 ( -0.279 -2.986 0.005) 2.999 2.017 ( -1.236 0.762 -2.430) 2.831 2.026 ( -1.541 -0.234 -0.454) 1.623 2.063 ( -1.568 4.324 5.485) 7.159 2.144 ( 0.185 -1.988 1.840) 2.715 2.246 ( 0.300 0.305 3.981) 4.004 2.271 ( 1.133 -1.227 4.418) 4.723 2.387 ( -1.159 3.890 -3.139) 5.131 2.433 ( 1.057 2.437 2.887) 3.923 2.444 ( 6.219 5.927 -0.754) 8.624 2.464 ( -0.518 -2.985 -1.000) 3.190 2.509 ( 0.940 -3.719 1.587) 4.151 2.572 ( 5.351 -3.399 -2.671) 6.879 2.620 ( 3.897 1.620 -0.457) 4.245 2.640 ( 1.695 -0.927 -2.517) 3.172 2.760 ( -0.186 1.841 2.498) 3.109 2.786 ( -3.453 0.197 0.542) 3.501 2.831 ( -0.825 1.413 -0.357) 1.674 2.863 ( -3.581 0.621 -0.264) 3.644 2.890 ( -0.732 -0.806 1.850) 2.147 2.942 ( -1.039 -2.994 0.698) 3.245 3.058 ( -0.974 2.795 1.895) 3.515 3.101 ( 0.291 -0.423 0.455) 0.686 3.165 ( 0.002 -2.676 1.287) 2.970 3.197 ( -1.993 0.401 -1.982) 2.840 3.314 ( -1.003 -2.263 -0.145) 2.480 3.328 ( -2.340 0.054 -0.330) 2.364 3.399 ( -4.837 0.579 -3.840) 6.203 3.413 ( -5.620 -2.637 -1.950) 6.506 3.548 ( -2.184 2.367 -3.499) 4.756 3.576 ( -1.455 -0.596 -2.425) 2.890 3.687 ( -2.394 7.719 -1.418) 8.205 3.793 ( -4.520 -2.244 -2.643) 5.697 3.828 ( -2.258 -4.283 -2.952) 5.671 3.871 ( -4.428 -8.989 4.728) 11.079 4.045 ( 1.283 1.433 -1.250) 2.295 4.120 ( 2.612 -6.762 -4.212) 8.384 4.307 ( 1.151 1.497 0.987) 2.131 4.356 ( 1.173 -2.282 -0.051) 2.567 4.440 ( -3.712 1.514 2.405) 4.674 4.493 ( -2.615 -2.523 0.330) 3.649 4.589 ( 2.662 2.507 -3.247) 4.890 4.671 ( 1.622 -4.531 -2.257) 5.316 4.724 ( 1.687 1.542 -0.130) 2.289 4.766 ( 0.157 -1.385 -0.851) 1.633 4.946 ( 1.207 0.648 -0.461) 1.445 4.966 ( 0.719 -1.470 -1.366) 2.132 5.151 ( 2.247 1.734 6.870) 7.433 5.173 ( 3.173 -0.034 5.704) 6.527 5.274 ( 4.101 6.135 2.591) 7.821 5.343 ( 4.207 0.180 1.020) 4.332 5.536 ( 4.604 6.140 1.519) 7.823 5.579 ( 3.461 4.809 2.061) 6.273 5.781 ( -0.986 1.811 -0.382) 2.097 5.794 ( -1.122 -0.775 0.384) 1.417 5.901 ( -2.084 6.216 0.212) 6.559 6.057 ( -2.984 2.939 -2.254) 4.756 6.164 ( -4.388 -10.597 0.656) 11.488 6.238 ( -2.961 -9.467 -0.920) 9.962 6.464 ( -5.076 0.965 4.319) 6.735 6.498 ( -5.290 -2.105 4.169) 7.057 6.966 ( -0.241 8.144 -3.160) 8.739 7.112 ( 1.031 -5.771 -7.849) 9.797 8.381 ( -4.682 5.945 -4.239) 8.674 8.474 ( -5.015 0.780 -3.560) 6.200 8.613 ( -4.916 0.998 -1.030) 5.121 8.747 ( -3.438 -8.105 -1.408) 8.916 9.199 ( -1.700 3.255 3.357) 4.976 9.224 ( 1.021 2.207 -0.838) 2.572 9.345 ( 1.388 1.043 4.506) 4.829 9.390 ( 2.643 -2.053 5.448) 6.394 9.554 ( 3.094 0.563 -3.456) 4.672 9.599 ( 1.000 -2.868 -0.790) 3.138 9.743 ( -1.518 1.159 0.719) 2.040 9.792 ( -2.108 -4.097 -0.694) 4.660 10.021 ( 0.928 1.085 2.194) 2.618 10.069 ( 0.746 -2.835 1.849) 3.466 10.332 ( -3.175 0.627 -1.560) 3.593 10.342 ( -2.616 -0.322 -2.009) 3.314 10.841 ( 2.653 1.951 0.979) 3.435 10.884 ( 3.319 -2.080 -0.223) 3.923 11.503 ( 9.469 1.969 -2.209) 9.920 11.524 ( 11.604 0.364 -2.333) 11.842 12.273 ( -3.130 1.865 -0.040) 3.644 12.314 ( -3.566 -1.978 -0.358) 4.094 12.524 ( -3.905 5.098 -1.559) 6.608 12.605 ( -2.944 -2.881 0.185) 4.123 18.885 ( -1.869 0.841 5.414) 5.788 18.922 ( -2.631 -2.654 6.299) 7.324 19.137 ( 3.696 0.968 -4.472) 5.882 19.153 ( 4.039 -0.533 -4.200) 5.852 19.468 ( 3.165 0.963 -0.142) 3.311 19.483 ( 3.313 -0.519 -1.133) 3.540 19.584 ( 1.291 1.164 0.062) 1.740 19.609 ( 0.499 -1.229 0.636) 1.471 19.746 ( -1.827 3.126 -1.985) 4.129 19.813 ( -1.332 -3.238 -1.316) 3.741 19.963 ( -2.751 1.807 -4.378) 5.477 19.979 ( -2.749 -0.051 -2.641) 3.812 20.340 ( 0.529 0.242 1.005) 1.161 20.347 ( 0.043 -0.352 0.804) 0.879 20.418 ( -2.348 0.606 0.391) 2.456 20.422 ( -2.453 0.242 0.296) 2.483 ======================= Grid point 135 (70/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 5.699 0.000 -2.360) 6.168 0.717 ( -5.699 0.000 2.360) 6.168 0.974 ( -7.378 0.000 -10.057) 12.472 0.974 ( 7.378 0.000 10.057) 12.472 0.988 ( 0.745 0.000 -0.367) 0.830 0.988 ( -0.745 0.000 0.367) 0.830 1.326 ( -1.242 0.000 0.221) 1.262 1.326 ( 1.242 0.000 -0.221) 1.262 1.413 ( 2.648 0.000 -3.865) 4.685 1.413 ( -2.648 0.000 3.865) 4.685 1.638 ( -0.197 0.000 -2.656) 2.663 1.638 ( 0.197 0.000 2.656) 2.663 1.796 ( 0.878 0.000 -0.988) 1.322 1.796 ( -0.878 0.000 0.988) 1.322 1.818 ( -0.770 0.000 -2.599) 2.710 1.818 ( 0.770 0.000 2.599) 2.710 1.906 ( -7.307 0.000 -6.539) 9.806 1.906 ( 7.307 0.000 6.539) 9.806 2.008 ( -2.273 0.000 -5.382) 5.843 2.008 ( 2.273 0.000 5.382) 5.843 2.060 ( 1.010 0.000 -1.333) 1.673 2.060 ( -1.010 0.000 1.333) 1.673 2.197 ( -0.487 0.000 -3.806) 3.837 2.197 ( 0.487 0.000 3.806) 3.837 2.248 ( -2.046 0.000 -4.163) 4.638 2.248 ( 2.046 0.000 4.163) 4.638 2.439 ( 0.848 0.000 -7.846) 7.892 2.439 ( -0.848 0.000 7.846) 7.892 2.548 ( -1.034 0.000 -1.242) 1.616 2.548 ( 1.034 0.000 1.242) 1.616 2.596 ( 3.795 0.000 -1.720) 4.166 2.596 ( -3.795 0.000 1.720) 4.166 2.728 ( -1.404 0.000 -0.447) 1.473 2.728 ( 1.404 0.000 0.447) 1.473 2.802 ( 0.601 0.000 -2.563) 2.632 2.802 ( -0.601 0.000 2.563) 2.632 2.874 ( -2.821 0.000 0.631) 2.891 2.874 ( 2.821 0.000 -0.631) 2.891 3.093 ( -2.142 0.000 -1.655) 2.707 3.093 ( 2.142 0.000 1.655) 2.707 3.145 ( 0.329 0.000 -5.734) 5.743 3.145 ( -0.329 0.000 5.734) 5.743 3.229 ( -1.283 0.000 -0.426) 1.352 3.229 ( 1.283 0.000 0.426) 1.352 3.355 ( -4.339 0.000 -2.054) 4.800 3.355 ( 4.339 0.000 2.054) 4.800 3.573 ( 3.472 0.000 -4.959) 6.054 3.573 ( -3.472 0.000 4.959) 6.054 3.794 ( 1.969 0.000 -2.353) 3.068 3.794 ( -1.969 0.000 2.353) 3.068 4.007 ( -4.227 0.000 -0.498) 4.256 4.007 ( 4.227 0.000 0.498) 4.256 4.234 ( 4.701 0.000 -3.561) 5.897 4.234 ( -4.701 0.000 3.561) 5.897 4.406 ( -0.993 0.000 -0.031) 0.993 4.406 ( 0.993 0.000 0.031) 0.993 4.488 ( -2.530 0.000 -0.422) 2.565 4.488 ( 2.530 0.000 0.422) 2.565 4.646 ( -0.467 0.000 -2.586) 2.628 4.646 ( 0.467 0.000 2.586) 2.628 4.854 ( 0.126 0.000 -0.252) 0.282 4.854 ( -0.126 0.000 0.252) 0.282 4.991 ( -3.750 0.000 -2.665) 4.601 4.991 ( 3.750 0.000 2.665) 4.601 5.161 ( -1.186 0.000 -1.062) 1.592 5.161 ( 1.186 0.000 1.062) 1.592 5.218 ( -3.512 0.000 -1.199) 3.711 5.218 ( 3.512 0.000 1.199) 3.711 5.274 ( 1.063 0.000 -0.864) 1.370 5.274 ( -1.063 0.000 0.864) 1.370 5.570 ( -0.860 0.000 -1.416) 1.657 5.570 ( 0.860 0.000 1.416) 1.657 6.058 ( 0.657 0.000 -1.691) 1.814 6.058 ( -0.657 0.000 1.691) 1.814 6.504 ( 2.397 0.000 -3.354) 4.123 6.504 ( -2.397 0.000 3.354) 4.123 6.660 ( 5.494 0.000 -5.746) 7.950 6.660 ( -5.494 0.000 5.746) 7.950 6.798 ( 6.178 0.000 -15.956) 17.110 6.798 ( -6.178 0.000 15.956) 17.110 8.079 ( -3.431 0.000 0.002) 3.431 8.079 ( 3.431 0.000 -0.002) 3.431 8.843 ( -1.887 0.000 -4.173) 4.580 8.843 ( 1.887 0.000 4.173) 4.580 9.054 ( -4.447 0.000 0.490) 4.474 9.054 ( 4.447 0.000 -0.490) 4.474 9.437 ( -1.132 0.000 -3.335) 3.522 9.437 ( 1.132 0.000 3.335) 3.522 9.658 ( 0.604 0.000 -0.481) 0.772 9.658 ( -0.604 0.000 0.481) 0.772 9.972 ( -3.261 0.000 -5.520) 6.411 9.972 ( 3.261 0.000 5.520) 6.411 10.104 ( 3.150 0.000 -4.166) 5.223 10.104 ( -3.150 0.000 4.166) 5.223 10.171 ( -1.394 0.000 -4.652) 4.857 10.171 ( 1.394 0.000 4.652) 4.857 10.877 ( 0.467 0.000 -2.053) 2.106 10.877 ( -0.467 0.000 2.053) 2.106 11.441 ( 0.530 0.000 -0.649) 0.838 11.441 ( -0.530 0.000 0.649) 0.838 12.253 ( -1.633 0.000 -0.876) 1.853 12.253 ( 1.633 0.000 0.876) 1.853 12.569 ( -9.945 0.000 -0.950) 9.990 12.569 ( 9.945 0.000 0.950) 9.990 18.992 ( 1.188 0.000 -2.930) 3.162 18.992 ( -1.188 0.000 2.930) 3.162 19.122 ( 6.237 0.000 -3.119) 6.974 19.122 ( -6.237 0.000 3.119) 6.974 19.528 ( 3.628 0.000 -3.263) 4.880 19.528 ( -3.628 0.000 3.263) 4.880 19.559 ( -4.138 0.000 -1.201) 4.309 19.559 ( 4.138 0.000 1.201) 4.309 19.692 ( -2.743 0.000 -0.900) 2.887 19.692 ( 2.743 0.000 0.900) 2.887 19.855 ( 3.296 0.000 -1.116) 3.480 19.855 ( -3.296 0.000 1.116) 3.480 20.367 ( 0.823 0.000 -0.826) 1.166 20.367 ( -0.823 0.000 0.826) 1.166 20.410 ( -0.490 0.000 0.026) 0.490 20.410 ( 0.490 0.000 -0.026) 0.490 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -6.689 0.000 1.997) 6.980 0.744 ( 5.811 0.000 -9.326) 10.988 0.759 ( 1.391 0.000 -12.994) 13.068 1.052 ( 4.648 0.000 0.260) 4.655 1.061 ( 5.673 0.000 1.116) 5.782 1.216 ( 6.295 0.000 4.527) 7.753 1.351 ( 0.789 0.000 4.372) 4.443 1.378 ( 1.896 0.000 4.666) 5.037 1.434 ( -0.318 0.000 2.229) 2.251 1.438 ( 4.316 0.000 -2.823) 5.157 1.578 ( 4.355 0.000 -20.707) 21.160 1.617 ( 1.222 0.000 -2.122) 2.449 1.695 ( 2.060 0.000 3.148) 3.762 1.760 ( 2.641 0.000 -6.762) 7.259 1.778 ( -0.415 0.000 -0.497) 0.647 1.854 ( 0.958 0.000 0.983) 1.372 1.858 ( 0.048 0.000 2.562) 2.562 1.960 ( 0.126 0.000 -1.825) 1.829 1.969 ( 1.064 0.000 -4.604) 4.726 2.045 ( 0.597 0.000 1.763) 1.862 2.082 ( 1.350 0.000 -1.306) 1.878 2.086 ( 2.996 0.000 -0.827) 3.108 2.167 ( -0.272 0.000 -2.214) 2.231 2.245 ( 4.576 0.000 0.319) 4.587 2.269 ( -1.836 0.000 3.254) 3.736 2.326 ( 0.330 0.000 4.433) 4.445 2.425 ( 3.525 0.000 -3.127) 4.712 2.513 ( -0.356 0.000 0.737) 0.818 2.516 ( -2.283 0.000 -0.591) 2.358 2.541 ( -3.691 0.000 4.077) 5.500 2.656 ( 0.045 0.000 -0.798) 0.800 2.671 ( -1.075 0.000 3.514) 3.675 2.684 ( 1.008 0.000 0.976) 1.403 2.729 ( -1.146 0.000 3.312) 3.504 2.789 ( 2.607 0.000 -1.363) 2.942 2.838 ( 1.833 0.000 7.961) 8.170 2.904 ( 0.366 0.000 -0.565) 0.673 2.923 ( 7.827 0.000 2.632) 8.258 3.015 ( -1.226 0.000 -5.460) 5.596 3.114 ( 1.157 0.000 -2.372) 2.639 3.171 ( 4.838 0.000 0.795) 4.903 3.225 ( 0.897 0.000 -0.248) 0.931 3.226 ( 0.807 0.000 5.071) 5.135 3.287 ( 1.622 0.000 -0.176) 1.631 3.315 ( 2.786 0.000 4.130) 4.982 3.446 ( 4.130 0.000 -1.221) 4.307 3.548 ( 1.018 0.000 -4.464) 4.578 3.589 ( -0.415 0.000 7.440) 7.451 3.776 ( -1.589 0.000 -3.556) 3.895 3.794 ( -2.347 0.000 3.911) 4.562 3.915 ( -4.149 0.000 -0.207) 4.154 4.053 ( -0.143 0.000 2.562) 2.566 4.242 ( -0.273 0.000 3.410) 3.421 4.279 ( 0.548 0.000 0.927) 1.077 4.388 ( -0.165 0.000 -3.337) 3.341 4.415 ( 0.824 0.000 -1.675) 1.867 4.459 ( 1.031 0.000 0.916) 1.379 4.520 ( 0.774 0.000 -0.779) 1.098 4.599 ( -0.751 0.000 -3.772) 3.846 4.668 ( -0.754 0.000 0.723) 1.044 4.829 ( -4.839 0.000 1.349) 5.023 4.839 ( -1.443 0.000 -0.025) 1.443 4.888 ( -5.151 0.000 -0.995) 5.246 4.996 ( -4.213 0.000 -0.635) 4.260 5.116 ( -1.346 0.000 -1.886) 2.317 5.126 ( -5.371 0.000 0.877) 5.442 5.256 ( 0.889 0.000 -3.296) 3.414 5.273 ( 8.046 0.000 2.433) 8.406 5.324 ( 3.008 0.000 5.434) 6.211 5.324 ( 5.873 0.000 -0.160) 5.875 5.529 ( -0.465 0.000 -3.600) 3.630 5.595 ( 1.058 0.000 0.205) 1.078 6.029 ( -0.753 0.000 -3.029) 3.121 6.049 ( -2.287 0.000 1.147) 2.559 6.508 ( 2.876 0.000 -3.903) 4.848 6.512 ( -0.605 0.000 2.560) 2.631 6.634 ( -3.539 0.000 3.876) 5.248 6.666 ( 4.928 0.000 -8.594) 9.906 6.772 ( 11.124 0.000 -12.812) 16.967 6.908 ( -4.144 0.000 16.874) 17.375 8.111 ( 3.026 0.000 5.438) 6.223 8.217 ( 8.359 0.000 4.539) 9.512 8.783 ( -0.781 0.000 -1.852) 2.010 8.929 ( 1.804 0.000 2.826) 3.352 9.015 ( -1.179 0.000 2.876) 3.109 9.142 ( 7.208 0.000 -2.076) 7.501 9.373 ( -0.962 0.000 -4.134) 4.245 9.472 ( -1.030 0.000 0.686) 1.238 9.621 ( -3.570 0.000 -0.728) 3.643 9.657 ( 0.898 0.000 -0.034) 0.899 9.830 ( -3.450 0.000 -8.392) 9.074 10.064 ( 0.423 0.000 2.261) 2.300 10.089 ( 0.195 0.000 -3.328) 3.333 10.111 ( -0.306 0.000 3.454) 3.468 10.157 ( 1.955 0.000 3.370) 3.896 10.253 ( 0.475 0.000 6.091) 6.109 10.854 ( -0.463 0.000 -2.249) 2.296 10.887 ( -1.263 0.000 1.815) 2.212 11.398 ( -8.022 0.000 0.332) 8.029 11.413 ( -5.170 0.000 2.026) 5.553 12.252 ( 2.855 0.000 -0.514) 2.901 12.314 ( 4.722 0.000 0.020) 4.722 12.387 ( -3.551 0.000 -3.603) 5.059 12.694 ( 5.707 0.000 -2.707) 6.316 18.975 ( 1.167 0.000 -3.392) 3.587 19.003 ( -1.243 0.000 2.455) 2.752 19.069 ( -5.248 0.000 4.499) 6.912 19.192 ( 3.311 0.000 -1.562) 3.661 19.463 ( -4.768 0.000 0.420) 4.787 19.495 ( -3.774 0.000 2.267) 4.403 19.500 ( -3.664 0.000 -3.872) 5.331 19.594 ( -1.472 0.000 0.782) 1.667 19.674 ( 4.363 0.000 -0.091) 4.364 19.766 ( 5.324 0.000 0.692) 5.368 19.870 ( 1.336 0.000 2.544) 2.873 19.939 ( 5.025 0.000 0.880) 5.102 20.363 ( 0.473 0.000 -1.865) 1.924 20.365 ( 0.347 0.000 -0.051) 0.351 20.408 ( 1.078 0.000 -0.823) 1.356 20.419 ( 1.180 0.000 -0.777) 1.413 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -1.591 0.000 2.397) 2.877 0.743 ( 6.850 0.000 -3.895) 7.880 0.769 ( 11.710 0.000 -8.050) 14.210 1.095 ( -0.674 0.000 -4.681) 4.729 1.115 ( 4.829 0.000 -3.310) 5.855 1.230 ( 1.599 0.000 -4.981) 5.231 1.383 ( -1.143 0.000 -1.217) 1.670 1.462 ( 1.208 0.000 3.492) 3.695 1.487 ( 3.096 0.000 -0.350) 3.115 1.527 ( 4.071 0.000 5.908) 7.175 1.634 ( 17.551 0.000 -9.066) 19.754 1.638 ( 2.201 0.000 -0.185) 2.209 1.791 ( 3.173 0.000 0.642) 3.237 1.795 ( 8.425 0.000 -1.447) 8.548 1.804 ( 2.564 0.000 3.145) 4.058 1.878 ( -0.265 0.000 0.991) 1.025 1.886 ( 0.375 0.000 3.068) 3.091 1.921 ( -0.685 0.000 -1.907) 2.026 1.948 ( 0.940 0.000 -1.148) 1.484 2.082 ( 0.717 0.000 0.892) 1.145 2.098 ( 2.960 0.000 -1.589) 3.359 2.128 ( 2.713 0.000 -1.504) 3.101 2.179 ( 2.349 0.000 -0.036) 2.350 2.243 ( 0.036 0.000 -1.538) 1.538 2.281 ( 1.904 0.000 -2.846) 3.424 2.359 ( -4.957 0.000 -2.348) 5.485 2.381 ( -0.751 0.000 4.260) 4.326 2.492 ( -4.081 0.000 5.046) 6.490 2.544 ( 1.121 0.000 -0.792) 1.372 2.546 ( 2.843 0.000 -1.898) 3.418 2.600 ( -1.959 0.000 2.517) 3.189 2.612 ( -3.906 0.000 -0.169) 3.910 2.774 ( 3.294 0.000 1.510) 3.624 2.782 ( 1.876 0.000 2.065) 2.789 2.829 ( 2.221 0.000 0.077) 2.222 2.879 ( -1.964 0.000 -1.206) 2.305 2.889 ( 0.549 0.000 -0.171) 0.575 2.963 ( 0.708 0.000 -0.747) 1.029 3.034 ( 2.681 0.000 -2.539) 3.693 3.161 ( -5.508 0.000 -3.749) 6.663 3.168 ( 0.918 0.000 1.761) 1.986 3.255 ( -2.846 0.000 -1.659) 3.294 3.287 ( 6.720 0.000 -2.120) 7.047 3.343 ( 5.877 0.000 3.639) 6.912 3.495 ( 4.111 0.000 -0.855) 4.199 3.522 ( 7.740 0.000 6.032) 9.813 3.581 ( 7.683 0.000 5.431) 9.409 3.661 ( -0.100 0.000 -4.244) 4.246 3.765 ( 3.919 0.000 8.441) 9.307 3.794 ( -2.450 0.000 2.295) 3.357 3.877 ( -1.287 0.000 0.502) 1.381 4.089 ( 0.592 0.000 2.592) 2.658 4.255 ( -1.737 0.000 1.444) 2.259 4.272 ( -2.736 0.000 2.052) 3.420 4.307 ( -2.843 0.000 -3.466) 4.483 4.373 ( -3.551 0.000 -4.056) 5.391 4.482 ( -3.947 0.000 -0.317) 3.959 4.507 ( 0.565 0.000 -2.102) 2.177 4.521 ( -2.056 0.000 -5.174) 5.568 4.621 ( -2.025 0.000 -1.543) 2.545 4.736 ( -5.907 0.000 2.292) 6.336 4.801 ( -3.780 0.000 0.571) 3.823 4.819 ( -0.139 0.000 -0.093) 0.167 4.939 ( -2.598 0.000 1.137) 2.836 5.040 ( -5.053 0.000 2.074) 5.462 5.067 ( -1.624 0.000 -2.192) 2.728 5.224 ( 1.009 0.000 -4.277) 4.394 5.391 ( 1.656 0.000 -2.595) 3.078 5.457 ( 5.569 0.000 0.816) 5.628 5.467 ( 5.180 0.000 6.088) 7.994 5.515 ( 5.854 0.000 -0.278) 5.861 5.615 ( 0.511 0.000 1.024) 1.145 5.969 ( -0.903 0.000 -4.162) 4.259 6.011 ( -3.511 0.000 1.326) 3.753 6.510 ( 2.600 0.000 -3.565) 4.413 6.536 ( 0.447 0.000 0.558) 0.715 6.642 ( -1.643 0.000 5.128) 5.385 6.665 ( 6.046 0.000 -5.923) 8.464 6.857 ( 14.403 0.000 -10.961) 18.100 7.043 ( -3.642 0.000 16.621) 17.015 8.279 ( 6.560 0.000 7.038) 9.621 8.427 ( 8.990 0.000 3.042) 9.491 8.769 ( -0.103 0.000 0.433) 0.445 8.949 ( 2.144 0.000 -2.929) 3.630 9.091 ( -0.404 0.000 9.214) 9.223 9.220 ( 4.168 0.000 -5.162) 6.635 9.330 ( 3.908 0.000 -3.916) 5.532 9.403 ( -3.126 0.000 -4.313) 5.326 9.530 ( -4.507 0.000 -1.946) 4.909 9.678 ( -1.317 0.000 -1.778) 2.212 9.707 ( 0.900 0.000 -2.220) 2.395 10.054 ( -2.965 0.000 1.780) 3.458 10.074 ( -0.340 0.000 0.993) 1.050 10.150 ( 0.630 0.000 0.672) 0.921 10.243 ( -1.872 0.000 6.807) 7.059 10.325 ( -0.216 0.000 4.938) 4.943 10.801 ( -2.651 0.000 -1.826) 3.220 10.870 ( -2.437 0.000 0.599) 2.510 11.119 ( -13.341 0.000 -9.696) 16.492 11.298 ( -9.282 0.000 0.078) 9.283 12.336 ( 5.732 0.000 0.932) 5.807 12.349 ( 2.514 0.000 -1.332) 2.844 12.536 ( 10.357 0.000 10.411) 14.685 12.719 ( 2.335 0.000 -3.623) 4.310 18.955 ( 1.330 0.000 -3.384) 3.636 19.008 ( -1.878 0.000 2.695) 3.285 19.041 ( -4.024 0.000 4.186) 5.806 19.137 ( -2.159 0.000 -7.214) 7.530 19.390 ( -4.767 0.000 -0.282) 4.775 19.435 ( -1.140 0.000 2.744) 2.972 19.451 ( -3.651 0.000 1.128) 3.822 19.562 ( -2.330 0.000 0.307) 2.350 19.799 ( 5.235 0.000 3.010) 6.039 19.864 ( 4.439 0.000 0.232) 4.445 19.930 ( 1.769 0.000 2.545) 3.099 20.015 ( 2.643 0.000 0.104) 2.645 20.353 ( 1.000 0.000 -1.422) 1.738 20.386 ( 1.696 0.000 0.402) 1.743 20.430 ( 2.677 0.000 -0.919) 2.830 20.444 ( 2.665 0.000 -0.010) 2.665 ======================= Grid point 139 (73/84) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 3.906 0.000 7.732) 8.662 0.858 ( 6.946 0.000 1.444) 7.094 0.943 ( 13.005 0.000 -6.656) 14.610 1.016 ( 0.652 0.000 -1.964) 2.070 1.161 ( 5.604 0.000 -3.065) 6.387 1.193 ( -0.378 0.000 -4.093) 4.110 1.320 ( -0.922 0.000 -4.404) 4.499 1.509 ( -0.002 0.000 1.818) 1.818 1.520 ( 1.030 0.000 0.326) 1.080 1.608 ( 0.481 0.000 1.310) 1.396 1.671 ( 1.589 0.000 0.359) 1.629 1.748 ( -4.800 0.000 -2.753) 5.533 1.819 ( -2.545 0.000 -1.612) 3.012 1.850 ( 2.445 0.000 -2.038) 3.183 1.878 ( 9.550 0.000 1.969) 9.751 1.917 ( -0.200 0.000 1.275) 1.291 1.973 ( 1.325 0.000 1.490) 1.994 2.003 ( 6.399 0.000 5.563) 8.479 2.008 ( 7.298 0.000 2.665) 7.769 2.092 ( 0.711 0.000 0.275) 0.763 2.142 ( 1.828 0.000 0.182) 1.837 2.161 ( 6.600 0.000 -1.523) 6.773 2.202 ( 2.531 0.000 1.336) 2.862 2.262 ( 0.658 0.000 -4.032) 4.085 2.280 ( 1.802 0.000 -1.873) 2.599 2.322 ( 3.707 0.000 2.734) 4.606 2.375 ( -2.580 0.000 0.995) 2.765 2.504 ( -4.198 0.000 5.881) 7.226 2.529 ( -0.111 0.000 0.057) 0.124 2.535 ( -2.542 0.000 0.933) 2.708 2.575 ( 2.143 0.000 -1.775) 2.782 2.590 ( -3.097 0.000 -2.659) 4.082 2.761 ( -0.814 0.000 -3.692) 3.781 2.839 ( 1.654 0.000 1.661) 2.344 2.862 ( -0.351 0.000 0.708) 0.790 2.879 ( 1.048 0.000 0.687) 1.253 2.893 ( 1.147 0.000 -0.324) 1.192 3.011 ( 3.701 0.000 -0.600) 3.749 3.035 ( 0.425 0.000 -3.958) 3.981 3.063 ( 4.096 0.000 -0.210) 4.102 3.135 ( -2.331 0.000 -0.541) 2.393 3.233 ( 2.442 0.000 -1.487) 2.859 3.331 ( 1.551 0.000 -3.382) 3.721 3.431 ( 1.108 0.000 0.581) 1.251 3.569 ( 4.003 0.000 0.248) 4.011 3.629 ( 2.410 0.000 2.326) 3.349 3.648 ( 4.718 0.000 -4.676) 6.642 3.747 ( -1.867 0.000 -2.069) 2.787 3.761 ( -5.260 0.000 -3.191) 6.152 3.845 ( 4.198 0.000 2.855) 5.077 3.957 ( 0.776 0.000 6.026) 6.076 4.115 ( -0.314 0.000 0.089) 0.326 4.173 ( -6.545 0.000 -2.539) 7.020 4.222 ( -0.324 0.000 -2.241) 2.265 4.244 ( -3.921 0.000 0.142) 3.924 4.293 ( -5.576 0.000 6.433) 8.513 4.416 ( -4.255 0.000 4.353) 6.088 4.432 ( 3.667 0.000 -4.206) 5.580 4.442 ( 0.344 0.000 -4.205) 4.219 4.615 ( -1.588 0.000 -0.235) 1.605 4.672 ( -4.623 0.000 2.088) 5.072 4.775 ( 0.689 0.000 -1.379) 1.541 4.858 ( 1.569 0.000 4.616) 4.875 4.928 ( -1.365 0.000 3.364) 3.630 5.007 ( -2.266 0.000 -2.133) 3.112 5.015 ( -3.106 0.000 4.280) 5.288 5.189 ( 1.427 0.000 -5.373) 5.559 5.306 ( -2.100 0.000 -6.873) 7.186 5.564 ( 6.200 0.000 -0.735) 6.244 5.595 ( 3.096 0.000 -0.009) 3.096 5.611 ( 3.339 0.000 0.321) 3.355 5.668 ( 2.224 0.000 6.072) 6.466 5.909 ( -0.179 0.000 -4.051) 4.055 5.972 ( -3.125 0.000 1.933) 3.675 6.514 ( 1.454 0.000 -1.822) 2.331 6.534 ( 0.069 0.000 -1.049) 1.052 6.691 ( -1.191 0.000 6.721) 6.826 6.726 ( 6.068 0.000 -3.276) 6.895 6.996 ( 15.617 0.000 -9.980) 18.534 7.161 ( -5.132 0.000 15.162) 16.007 8.463 ( 5.260 0.000 5.487) 7.601 8.562 ( 6.547 0.000 -2.582) 7.038 8.774 ( -2.163 0.000 2.397) 3.229 8.904 ( -2.550 0.000 -6.773) 7.237 9.177 ( 1.653 0.000 -5.249) 5.503 9.198 ( 0.260 0.000 9.463) 9.466 9.369 ( 2.847 0.000 1.669) 3.300 9.417 ( 10.097 0.000 -5.513) 11.504 9.446 ( -2.112 0.000 -1.703) 2.713 9.588 ( -5.032 0.000 -2.310) 5.537 9.761 ( 4.695 0.000 -0.082) 4.695 10.011 ( -3.682 0.000 0.628) 3.736 10.080 ( -3.068 0.000 2.701) 4.088 10.142 ( -1.660 0.000 -0.373) 1.702 10.215 ( -3.240 0.000 0.188) 3.246 10.345 ( -2.866 0.000 2.400) 3.738 10.742 ( -3.746 0.000 2.418) 4.458 10.822 ( -2.270 0.000 -1.393) 2.663 10.887 ( -1.188 0.000 -6.964) 7.065 11.117 ( -9.828 0.000 -1.419) 9.930 12.379 ( 2.206 0.000 -0.775) 2.338 12.431 ( 3.082 0.000 0.434) 3.113 12.724 ( 3.579 0.000 -2.561) 4.401 12.791 ( 1.313 0.000 11.535) 11.610 18.940 ( 2.017 0.000 -3.987) 4.468 18.995 ( -4.051 0.000 3.867) 5.600 19.031 ( -2.149 0.000 2.926) 3.630 19.039 ( 1.434 0.000 -6.510) 6.667 19.330 ( -3.403 0.000 1.832) 3.865 19.396 ( -3.099 0.000 -0.375) 3.122 19.455 ( -0.366 0.000 2.284) 2.313 19.528 ( -1.756 0.000 -0.046) 1.756 19.875 ( 0.644 0.000 1.828) 1.938 19.909 ( 1.719 0.000 -1.532) 2.303 19.983 ( 0.951 0.000 2.223) 2.418 20.038 ( 1.228 0.000 -1.202) 1.718 20.367 ( 1.776 0.000 -0.419) 1.824 20.414 ( 0.895 0.000 0.087) 0.899 20.478 ( 3.135 0.000 0.035) 3.136 20.505 ( 2.328 0.000 1.555) 2.800 ======================= Grid point 140 (74/84) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 2.680 0.000 8.399) 8.817 0.921 ( 0.238 0.000 -5.491) 5.496 0.989 ( 4.379 0.000 4.207) 6.073 1.112 ( -2.115 0.000 -5.933) 6.299 1.149 ( 8.487 0.000 -1.660) 8.647 1.226 ( -0.891 0.000 0.778) 1.183 1.297 ( 7.897 0.000 -3.390) 8.594 1.455 ( -7.685 0.000 -1.203) 7.778 1.542 ( 0.397 0.000 1.795) 1.839 1.593 ( -2.275 0.000 -2.971) 3.742 1.654 ( -1.181 0.000 3.612) 3.800 1.693 ( -0.004 0.000 -0.773) 0.773 1.767 ( -0.638 0.000 0.042) 0.640 1.812 ( -1.975 0.000 -2.888) 3.499 1.936 ( -0.230 0.000 2.698) 2.708 1.970 ( -0.307 0.000 -2.052) 2.075 2.018 ( 4.316 0.000 0.599) 4.357 2.064 ( -1.030 0.000 0.400) 1.104 2.104 ( 2.501 0.000 2.359) 3.438 2.160 ( 3.001 0.000 1.811) 3.505 2.189 ( -1.783 0.000 -2.767) 3.292 2.210 ( 1.121 0.000 1.333) 1.741 2.280 ( -0.522 0.000 2.466) 2.521 2.293 ( 5.105 0.000 0.210) 5.109 2.346 ( -0.236 0.000 -0.825) 0.859 2.349 ( 3.648 0.000 4.526) 5.813 2.407 ( -0.332 0.000 -1.643) 1.676 2.435 ( -3.680 0.000 -1.265) 3.891 2.489 ( 3.324 0.000 -4.059) 5.246 2.539 ( -3.767 0.000 2.502) 4.522 2.615 ( 3.089 0.000 2.966) 4.282 2.624 ( 6.525 0.000 4.444) 7.895 2.739 ( -0.259 0.000 0.594) 0.648 2.850 ( -1.079 0.000 -2.832) 3.031 2.869 ( 0.455 0.000 -0.738) 0.867 2.883 ( -3.053 0.000 -2.398) 3.882 2.893 ( 3.900 0.000 0.983) 4.022 2.972 ( 0.727 0.000 -2.634) 2.733 3.094 ( 1.756 0.000 3.093) 3.557 3.122 ( -0.177 0.000 -1.619) 1.629 3.201 ( 6.084 0.000 2.883) 6.733 3.273 ( 2.207 0.000 -0.429) 2.249 3.310 ( 3.363 0.000 -2.419) 4.143 3.392 ( -4.203 0.000 -1.280) 4.393 3.556 ( -2.466 0.000 -6.713) 7.152 3.560 ( -8.337 0.000 -2.045) 8.584 3.645 ( 2.149 0.000 -2.957) 3.656 3.691 ( -5.776 0.000 0.071) 5.776 3.738 ( 5.255 0.000 0.895) 5.331 3.802 ( -1.032 0.000 1.244) 1.617 4.002 ( 0.437 0.000 1.721) 1.775 4.054 ( -3.329 0.000 -3.774) 5.032 4.122 ( 0.955 0.000 -0.815) 1.255 4.173 ( -6.192 0.000 1.357) 6.339 4.253 ( 1.476 0.000 -1.056) 1.815 4.254 ( 0.112 0.000 3.343) 3.345 4.401 ( 1.047 0.000 0.561) 1.188 4.479 ( -4.987 0.000 0.403) 5.003 4.511 ( 6.014 0.000 2.155) 6.388 4.606 ( -1.029 0.000 2.436) 2.645 4.641 ( 3.204 0.000 1.409) 3.500 4.758 ( -1.627 0.000 -2.645) 3.105 4.938 ( 0.143 0.000 1.458) 1.465 4.950 ( -1.085 0.000 1.798) 2.100 4.965 ( 0.684 0.000 1.997) 2.111 5.004 ( -2.443 0.000 1.722) 2.989 5.158 ( 2.554 0.000 -4.580) 5.244 5.196 ( -2.693 0.000 -3.429) 4.360 5.610 ( 0.375 0.000 0.218) 0.433 5.613 ( 0.072 0.000 0.109) 0.130 5.690 ( 5.630 0.000 -0.505) 5.653 5.749 ( -0.549 0.000 1.073) 1.206 5.888 ( 2.393 0.000 -1.060) 2.617 5.937 ( -3.340 0.000 1.040) 3.498 6.517 ( 0.319 0.000 -0.265) 0.415 6.522 ( -0.151 0.000 -0.597) 0.616 6.747 ( -2.114 0.000 6.915) 7.231 6.767 ( 4.117 0.000 -5.099) 6.554 7.137 ( 13.696 0.000 -10.118) 17.028 7.205 ( -9.185 0.000 12.467) 15.485 8.593 ( 3.563 0.000 4.622) 5.836 8.629 ( 6.364 0.000 -3.850) 7.438 8.725 ( -6.664 0.000 2.957) 7.291 8.745 ( -4.327 0.000 -6.732) 8.003 9.214 ( 7.118 0.000 -2.269) 7.471 9.280 ( -2.927 0.000 5.439) 6.177 9.414 ( 1.197 0.000 -2.471) 2.745 9.442 ( -3.722 0.000 1.099) 3.881 9.503 ( 0.288 0.000 3.344) 3.357 9.510 ( 6.996 0.000 -5.272) 8.760 9.852 ( 5.111 0.000 0.647) 5.152 9.942 ( -4.543 0.000 -0.201) 4.547 10.037 ( -2.120 0.000 1.992) 2.909 10.084 ( -3.239 0.000 -1.820) 3.715 10.226 ( 2.833 0.000 0.441) 2.867 10.292 ( -4.225 0.000 0.161) 4.228 10.732 ( -2.229 0.000 4.380) 4.915 10.766 ( -0.454 0.000 -3.613) 3.642 10.866 ( 4.162 0.000 -2.514) 4.862 10.953 ( -7.388 0.000 -0.185) 7.390 12.409 ( 1.900 0.000 0.040) 1.900 12.441 ( -0.947 0.000 -0.638) 1.142 12.790 ( 6.318 0.000 -2.172) 6.681 12.851 ( -5.016 0.000 5.545) 7.477 18.940 ( 3.858 0.000 -4.309) 5.783 18.966 ( -4.628 0.000 4.116) 6.193 19.022 ( 2.797 0.000 -3.837) 4.748 19.028 ( -2.330 0.000 2.941) 3.752 19.315 ( -1.272 0.000 2.432) 2.744 19.342 ( -1.311 0.000 -1.863) 2.278 19.476 ( 0.269 0.000 1.470) 1.495 19.500 ( -1.034 0.000 -0.684) 1.240 19.891 ( -0.396 0.000 1.291) 1.351 19.903 ( 0.457 0.000 -1.909) 1.963 20.017 ( 0.138 0.000 2.031) 2.036 20.036 ( 0.631 0.000 -1.830) 1.936 20.396 ( 1.508 0.000 0.213) 1.523 20.417 ( -0.404 0.000 -0.263) 0.482 20.526 ( 1.936 0.000 0.144) 1.942 20.540 ( 0.070 0.000 0.690) 0.694 ======================= Grid point 145 (75/84) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -0.778 1.167 -1.776) 2.264 0.739 ( 0.778 1.167 1.776) 2.264 0.888 ( -3.824 -0.902 -8.682) 9.530 0.888 ( 3.824 -0.902 8.682) 9.530 1.069 ( 0.401 2.251 -9.144) 9.426 1.069 ( -0.401 2.251 9.144) 9.426 1.340 ( 0.766 1.251 -1.400) 2.028 1.340 ( -0.766 1.251 1.400) 2.028 1.395 ( 2.481 -1.553 -4.040) 4.988 1.395 ( -2.481 -1.553 4.040) 4.988 1.600 ( -0.263 -4.268 -2.505) 4.956 1.600 ( 0.263 -4.268 2.505) 4.956 1.746 ( -1.471 -4.125 -3.296) 5.481 1.746 ( 1.471 -4.125 3.296) 5.481 1.809 ( -2.458 -1.905 -1.636) 3.514 1.809 ( 2.458 -1.905 1.636) 3.514 1.936 ( -2.967 0.153 -2.516) 3.893 1.936 ( 2.967 0.153 2.516) 3.893 1.959 ( -2.643 0.488 -5.521) 6.141 1.959 ( 2.643 0.488 5.521) 6.141 2.096 ( -1.307 4.509 -3.513) 5.863 2.096 ( 1.307 4.509 3.513) 5.863 2.259 ( -0.668 4.205 -1.605) 4.550 2.259 ( 0.668 4.205 1.605) 4.550 2.317 ( -1.593 4.877 -3.681) 6.315 2.317 ( 1.593 4.877 3.681) 6.315 2.493 ( -3.406 2.903 -5.122) 6.802 2.493 ( 3.406 2.903 5.122) 6.802 2.557 ( 1.408 2.402 -3.645) 4.587 2.557 ( -1.408 2.402 3.645) 4.587 2.631 ( -2.056 2.265 -0.031) 3.059 2.631 ( 2.056 2.265 0.031) 3.059 2.717 ( -1.943 -0.930 -0.687) 2.261 2.717 ( 1.943 -0.930 0.687) 2.261 2.810 ( -0.309 -1.446 -2.807) 3.173 2.810 ( 0.309 -1.446 2.807) 3.173 2.851 ( -3.202 1.175 -0.862) 3.518 2.851 ( 3.202 1.175 0.862) 3.518 3.067 ( -1.121 -0.843 -1.183) 1.835 3.067 ( 1.121 -0.843 1.183) 1.835 3.173 ( 1.499 0.371 -1.068) 1.878 3.173 ( -1.499 0.371 1.068) 1.878 3.234 ( -0.622 1.412 -2.432) 2.881 3.234 ( 0.622 1.412 2.432) 2.881 3.344 ( -4.584 -0.914 -1.261) 4.841 3.344 ( 4.584 -0.914 1.261) 4.841 3.543 ( 2.118 -2.778 -3.038) 4.629 3.543 ( -2.118 -2.778 3.038) 4.629 3.757 ( 2.045 -3.251 -1.795) 4.239 3.757 ( -2.045 -3.251 1.795) 4.239 3.946 ( -3.425 -6.448 -3.461) 8.080 3.946 ( 3.425 -6.448 3.461) 8.080 4.195 ( 4.234 -4.685 -4.998) 8.053 4.195 ( -4.234 -4.685 4.998) 8.053 4.330 ( -1.766 -3.946 -0.387) 4.341 4.330 ( 1.766 -3.946 0.387) 4.341 4.441 ( 2.489 -2.094 -1.692) 3.667 4.441 ( -2.489 -2.094 1.692) 3.667 4.672 ( -1.879 0.083 -1.617) 2.480 4.672 ( 1.879 0.083 1.617) 2.480 4.810 ( -0.369 -2.742 -0.347) 2.788 4.810 ( 0.369 -2.742 0.347) 2.788 4.953 ( -1.466 -1.878 -1.408) 2.767 4.953 ( 1.466 -1.878 1.408) 2.767 5.241 ( -0.314 5.265 -1.391) 5.454 5.241 ( 0.314 5.265 1.391) 5.454 5.308 ( 2.404 5.396 -2.349) 6.357 5.308 ( -2.404 5.396 2.349) 6.357 5.362 ( -2.573 9.442 0.093) 9.787 5.362 ( 2.573 9.442 -0.093) 9.787 5.644 ( -2.638 6.713 -1.726) 7.416 5.644 ( 2.638 6.713 1.726) 7.416 6.020 ( 0.261 -3.603 -1.619) 3.958 6.020 ( -0.261 -3.603 1.619) 3.958 6.408 ( 0.788 -9.371 -1.923) 9.599 6.408 ( -0.788 -9.371 1.923) 9.599 6.599 ( 0.266 -3.232 -2.024) 3.823 6.599 ( -0.266 -3.232 2.024) 3.823 6.859 ( 2.399 3.631 -9.073) 10.063 6.859 ( -2.399 3.631 9.073) 10.063 8.143 ( -2.130 6.042 -1.173) 6.513 8.143 ( 2.130 6.042 1.173) 6.513 8.762 ( -1.076 -7.022 -4.321) 8.315 8.762 ( 1.076 -7.022 4.321) 8.315 9.126 ( -4.312 5.929 1.139) 7.419 9.126 ( 4.312 5.929 -1.139) 7.419 9.446 ( 0.001 0.993 -2.863) 3.030 9.446 ( -0.001 0.993 2.863) 3.030 9.631 ( -1.752 -2.500 -0.224) 3.062 9.631 ( 1.752 -2.500 0.224) 3.062 9.880 ( -2.374 -6.675 -1.368) 7.216 9.880 ( 2.374 -6.675 1.368) 7.216 10.138 ( -3.039 1.739 -3.869) 5.218 10.138 ( 3.039 1.739 3.869) 5.218 10.184 ( -1.332 0.909 -3.501) 3.855 10.184 ( 1.332 0.909 3.501) 3.855 10.884 ( 0.296 0.612 -2.123) 2.229 10.884 ( -0.296 0.612 2.123) 2.229 11.456 ( -0.537 1.196 -0.217) 1.329 11.456 ( 0.537 1.196 0.217) 1.329 12.289 ( -2.802 3.199 -1.587) 4.539 12.289 ( 2.802 3.199 1.587) 4.539 12.551 ( -8.967 -1.630 -1.398) 9.220 12.551 ( 8.967 -1.630 1.398) 9.220 19.002 ( 1.513 0.926 -4.274) 4.628 19.002 ( -1.513 0.926 4.274) 4.628 19.104 ( 5.014 -1.578 -4.599) 6.984 19.104 ( -5.014 -1.578 4.599) 6.984 19.524 ( 2.854 -0.084 -1.617) 3.281 19.524 ( -2.854 -0.084 1.617) 3.281 19.568 ( -1.401 0.307 -0.197) 1.448 19.568 ( 1.401 0.307 0.197) 1.448 19.714 ( -3.530 1.963 -1.539) 4.322 19.714 ( 3.530 1.963 1.539) 4.322 19.849 ( -2.045 -0.537 -1.072) 2.370 19.849 ( 2.045 -0.537 1.072) 2.370 20.372 ( 0.742 0.400 -0.578) 1.021 20.372 ( -0.742 0.400 0.578) 1.021 20.412 ( -0.563 0.142 0.135) 0.596 20.412 ( 0.563 0.142 -0.135) 0.596 ======================= Grid point 147 (76/84) ======================= q-point: ( 0.11 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -5.586 1.406 1.057) 5.857 0.730 ( 0.381 -1.392 -5.368) 5.558 0.822 ( 6.122 6.750 -7.898) 12.059 1.009 ( 6.079 0.122 -4.846) 7.775 1.099 ( 6.661 -0.860 2.261) 7.087 1.208 ( 3.287 -0.269 6.352) 7.157 1.354 ( 1.445 -1.000 -0.316) 1.785 1.388 ( 1.791 2.409 3.790) 4.835 1.416 ( 2.336 -1.385 0.738) 2.814 1.424 ( 1.565 -1.276 0.910) 2.215 1.566 ( 1.492 -2.576 -5.865) 6.577 1.615 ( 1.900 -6.488 -4.075) 7.894 1.681 ( 1.701 3.611 -8.584) 9.467 1.709 ( 0.774 -3.693 -1.557) 4.081 1.782 ( -0.222 0.700 -0.761) 1.058 1.812 ( 1.659 -2.500 -1.810) 3.504 1.873 ( 2.282 -0.161 1.701) 2.851 1.955 ( 0.819 0.166 0.210) 0.862 1.964 ( 1.934 1.081 -0.120) 2.219 2.043 ( 2.088 -2.925 -0.541) 3.634 2.059 ( -0.199 3.933 -1.526) 4.224 2.165 ( 2.215 5.050 -2.148) 5.918 2.228 ( 1.422 3.610 0.187) 3.885 2.268 ( 0.451 2.672 1.519) 3.107 2.307 ( -0.349 2.321 -0.515) 2.403 2.349 ( -1.241 2.292 0.388) 2.635 2.449 ( 1.438 1.632 -0.976) 2.384 2.502 ( -2.141 -0.251 -2.029) 2.961 2.543 ( -0.755 1.270 -0.581) 1.588 2.560 ( -4.860 0.692 1.828) 5.238 2.633 ( -3.235 -0.663 1.212) 3.517 2.698 ( -1.963 -3.940 1.096) 4.537 2.715 ( 0.776 2.987 1.391) 3.385 2.725 ( 3.903 3.753 0.020) 5.414 2.806 ( 0.823 1.216 1.621) 2.187 2.816 ( 3.579 -0.210 0.466) 3.616 2.890 ( 1.301 0.280 0.615) 1.466 2.967 ( 8.095 3.389 5.673) 10.450 3.048 ( -1.124 1.844 -1.346) 2.545 3.072 ( 3.503 -3.069 -0.673) 4.706 3.167 ( -0.957 -0.153 -1.379) 1.685 3.217 ( 2.795 0.284 0.761) 2.910 3.263 ( 3.026 -1.296 3.404) 4.735 3.284 ( 2.283 2.656 -0.070) 3.503 3.316 ( 2.091 0.449 4.032) 4.564 3.439 ( 4.489 -0.398 -0.589) 4.545 3.518 ( 0.446 -2.685 -1.285) 3.010 3.544 ( -0.261 -3.048 3.556) 4.691 3.744 ( -2.196 -3.620 -4.057) 5.864 3.781 ( -0.208 -1.376 4.053) 4.285 3.865 ( -1.112 -4.551 0.610) 4.724 4.012 ( 0.014 -3.373 3.458) 4.831 4.205 ( 2.056 -9.245 -4.625) 10.540 4.224 ( 0.400 -4.346 3.460) 5.569 4.306 ( -0.119 -0.725 -0.189) 0.759 4.362 ( 0.427 -4.398 0.107) 4.420 4.432 ( -0.669 -1.337 3.311) 3.633 4.483 ( 2.664 -1.759 -0.464) 3.226 4.618 ( -1.669 -0.132 -2.268) 2.819 4.724 ( 1.682 1.777 1.014) 2.649 4.766 ( -3.411 -3.906 -1.089) 5.299 4.767 ( -3.714 -3.245 -0.921) 5.017 4.914 ( -2.625 1.317 0.109) 2.939 4.978 ( -1.251 -2.514 1.730) 3.298 5.163 ( -6.031 2.723 -0.035) 6.618 5.190 ( -4.917 6.311 -3.020) 8.552 5.232 ( -1.616 3.075 -4.196) 5.447 5.321 ( 2.154 3.123 0.074) 3.795 5.382 ( 0.405 5.790 2.170) 6.197 5.469 ( 4.931 8.392 0.779) 9.764 5.590 ( 0.856 7.128 -2.662) 7.657 5.717 ( 3.732 8.730 0.999) 9.547 5.986 ( -1.271 -4.087 -2.569) 4.992 6.018 ( -2.018 -2.726 1.540) 3.725 6.409 ( 1.492 -9.175 0.211) 9.298 6.433 ( 1.202 -8.533 -0.034) 8.618 6.573 ( 1.440 -2.922 -3.179) 4.551 6.623 ( 3.823 -2.674 -3.557) 5.867 6.835 ( 5.422 4.583 -5.787) 9.159 6.952 ( -1.206 2.503 11.039) 11.384 8.173 ( 3.551 5.779 4.067) 7.908 8.272 ( 7.623 5.221 4.699) 10.366 8.724 ( 1.180 -5.317 -1.963) 5.789 8.852 ( 2.255 -6.950 4.572) 8.619 9.080 ( -2.254 5.783 1.388) 6.360 9.194 ( 5.994 4.171 -2.812) 7.825 9.401 ( -0.397 2.312 -3.997) 4.634 9.459 ( -1.528 -0.621 0.628) 1.765 9.574 ( -3.592 -3.482 -1.376) 5.188 9.652 ( 1.100 -1.428 -0.166) 1.810 9.801 ( -2.761 -2.665 -4.435) 5.865 9.937 ( 3.569 -8.848 -0.378) 9.548 10.054 ( -2.051 -0.153 -1.415) 2.496 10.119 ( -2.520 0.104 -0.587) 2.589 10.243 ( 2.347 3.126 3.879) 5.507 10.262 ( 1.344 0.817 5.818) 6.027 10.853 ( -0.971 0.149 -2.203) 2.412 10.889 ( -1.826 -0.023 1.532) 2.383 11.413 ( -7.474 1.486 2.300) 7.960 11.442 ( -5.970 1.815 2.374) 6.676 12.257 ( 1.806 1.060 -1.206) 2.417 12.363 ( 2.647 0.934 -0.274) 2.820 12.395 ( -0.684 3.517 -2.461) 4.346 12.674 ( 5.442 -1.985 -2.015) 6.134 18.972 ( 1.349 0.287 -4.635) 4.836 19.019 ( -1.711 1.153 3.353) 3.937 19.067 ( -4.621 -0.201 4.359) 6.356 19.135 ( 2.537 -4.245 -3.609) 6.122 19.459 ( -3.793 0.081 0.721) 3.861 19.486 ( -3.776 -0.734 -2.176) 4.419 19.536 ( -3.549 2.361 1.751) 4.608 19.633 ( -2.483 3.095 0.806) 4.049 19.648 ( 3.999 -1.596 0.605) 4.348 19.823 ( 5.358 3.973 1.323) 6.800 19.843 ( 1.596 -2.294 2.415) 3.693 19.941 ( 4.759 -0.009 1.295) 4.932 20.358 ( -0.286 -0.112 -0.758) 0.818 20.370 ( 0.114 0.030 -1.175) 1.181 20.416 ( 1.593 0.679 -0.708) 1.871 20.425 ( 1.632 0.486 -0.761) 1.865 ======================= Grid point 148 (77/84) ======================= q-point: ( 0.22 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -1.862 3.671 2.171) 4.654 0.709 ( 1.874 -1.352 -0.855) 2.464 0.866 ( 11.148 7.569 -7.819) 15.579 1.073 ( 6.762 -1.646 -3.837) 7.947 1.179 ( 0.946 1.889 -1.965) 2.885 1.228 ( 1.608 1.481 -6.257) 6.628 1.380 ( -0.790 -1.214 -3.831) 4.095 1.405 ( 0.714 -4.039 4.031) 5.751 1.483 ( 1.761 -3.057 4.569) 5.773 1.497 ( 2.876 -0.454 1.759) 3.402 1.560 ( 4.132 -3.045 -3.599) 6.269 1.688 ( 6.882 1.074 -2.304) 7.336 1.718 ( 11.695 -4.063 1.592) 12.483 1.756 ( 4.248 -0.638 -1.539) 4.563 1.828 ( 3.238 -2.123 4.356) 5.829 1.836 ( 2.554 -0.427 -1.117) 2.820 1.920 ( 1.160 1.681 -1.089) 2.315 1.967 ( 0.053 2.788 0.464) 2.827 1.986 ( -0.084 1.428 0.774) 1.626 2.045 ( 2.164 0.827 -2.086) 3.118 2.065 ( 1.313 -1.057 -1.146) 2.038 2.180 ( 2.126 1.894 -1.491) 3.214 2.234 ( -0.885 2.672 -1.930) 3.413 2.252 ( -0.845 0.796 -2.284) 2.563 2.306 ( 0.608 2.090 -0.805) 2.321 2.339 ( -0.570 0.261 1.850) 1.953 2.412 ( -1.179 1.229 -1.032) 1.991 2.485 ( -4.562 -1.814 3.158) 5.837 2.525 ( -0.139 -2.101 -0.498) 2.164 2.539 ( 1.662 -0.480 -0.903) 1.952 2.563 ( -3.789 -1.158 -0.402) 3.982 2.642 ( -0.816 1.043 0.594) 1.451 2.741 ( -0.107 -1.291 0.626) 1.439 2.793 ( 0.833 1.147 1.245) 1.887 2.847 ( -0.553 -1.089 -0.406) 1.287 2.861 ( 3.778 1.921 0.287) 4.248 2.897 ( 2.657 2.414 -0.231) 3.597 3.020 ( 0.666 2.225 -0.104) 2.325 3.073 ( -2.413 -1.841 -2.049) 3.662 3.111 ( 1.336 -1.084 -2.033) 2.663 3.201 ( 4.402 1.140 -1.748) 4.872 3.256 ( 3.312 3.959 -4.215) 6.664 3.296 ( 2.167 2.313 1.030) 3.333 3.388 ( 2.358 1.828 1.986) 3.584 3.453 ( 5.591 -3.202 2.596) 6.946 3.488 ( 1.539 -1.800 0.863) 2.520 3.600 ( 8.704 1.371 8.763) 12.427 3.667 ( 2.694 -0.373 0.470) 2.760 3.699 ( 5.892 -6.100 3.993) 9.374 3.812 ( -1.616 1.129 2.722) 3.361 3.862 ( -1.303 -0.698 0.130) 1.484 4.058 ( 0.309 -3.191 3.203) 4.532 4.160 ( 1.333 -8.040 -4.654) 9.386 4.246 ( -2.269 -3.367 1.217) 4.239 4.283 ( -1.117 -0.126 -2.469) 2.713 4.342 ( -3.362 -2.825 1.039) 4.513 4.461 ( -2.015 -0.271 1.795) 2.713 4.501 ( 0.242 0.639 -1.457) 1.609 4.560 ( -0.785 0.341 -2.995) 3.115 4.669 ( -4.220 -1.724 0.505) 4.586 4.697 ( -2.109 1.401 -1.881) 3.154 4.781 ( 0.911 -1.797 3.231) 3.807 4.853 ( -4.174 3.037 0.633) 5.201 4.956 ( -2.919 0.613 0.822) 3.094 5.052 ( -6.096 -0.421 0.461) 6.128 5.081 ( -3.946 3.497 -1.937) 5.617 5.168 ( 0.127 -2.510 -3.321) 4.164 5.336 ( 0.982 -2.570 -3.036) 4.097 5.428 ( -1.098 2.195 0.776) 2.574 5.441 ( -0.680 0.186 -2.054) 2.172 5.693 ( 7.891 11.065 2.041) 13.743 5.782 ( 1.886 7.171 1.017) 7.485 5.927 ( -0.766 -3.441 -3.547) 5.001 5.999 ( -1.858 0.529 1.975) 2.762 6.441 ( 0.206 -7.485 0.516) 7.505 6.465 ( 3.622 -6.762 0.045) 7.671 6.584 ( 3.556 -1.672 -1.664) 4.268 6.666 ( 5.362 -1.226 -2.545) 6.061 6.900 ( 9.514 3.804 -5.704) 11.727 7.067 ( -1.684 1.305 11.983) 12.171 8.332 ( 6.827 4.921 5.966) 10.316 8.474 ( 8.636 4.317 3.540) 10.283 8.750 ( 2.345 -2.085 0.388) 3.161 8.909 ( 1.391 -4.079 -0.740) 4.373 9.106 ( -0.327 2.160 6.630) 6.981 9.245 ( 3.804 2.053 -5.276) 6.820 9.346 ( 1.778 0.407 -5.920) 6.194 9.396 ( -2.738 -0.518 -3.474) 4.453 9.492 ( -3.644 -1.895 -0.283) 4.116 9.655 ( -0.899 -2.176 -1.546) 2.816 9.736 ( 1.003 1.988 -0.912) 2.406 9.971 ( 0.169 -5.992 -0.180) 5.997 10.046 ( 0.864 -4.824 0.793) 4.965 10.080 ( -2.014 -0.950 0.740) 2.346 10.309 ( -1.046 2.745 5.215) 5.985 10.347 ( 0.500 1.613 4.178) 4.506 10.794 ( -3.002 -0.475 -1.746) 3.505 10.859 ( -2.096 -1.213 -0.558) 2.485 11.176 ( -15.546 4.560 -4.889) 16.922 11.307 ( -10.279 0.565 -0.094) 10.295 12.323 ( 5.077 0.270 0.566) 5.116 12.390 ( 3.089 1.580 -0.001) 3.470 12.539 ( 8.844 0.967 7.498) 11.635 12.706 ( 2.377 -1.360 -2.971) 4.041 18.945 ( 1.702 -0.341 -4.306) 4.643 19.021 ( -3.106 0.876 3.734) 4.935 19.046 ( -2.848 0.271 3.010) 4.153 19.087 ( -0.722 -3.812 -5.883) 7.047 19.393 ( -4.488 0.359 -0.222) 4.508 19.428 ( -2.248 -0.314 2.167) 3.138 19.494 ( -3.111 2.754 1.107) 4.300 19.574 ( -2.906 0.762 -0.053) 3.005 19.770 ( 4.938 -1.001 2.559) 5.651 19.884 ( 1.961 -1.073 0.802) 2.375 19.941 ( 2.946 2.247 2.584) 4.517 20.016 ( 2.346 -0.020 0.321) 2.368 20.349 ( 0.774 -0.247 -1.064) 1.338 20.373 ( 1.173 -0.895 -0.067) 1.477 20.450 ( 3.125 1.381 -0.430) 3.444 20.459 ( 3.066 1.157 0.014) 3.277 ======================= Grid point 149 (78/84) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 2.613 0.031 4.074) 4.840 0.773 ( 2.709 -3.495 3.838) 5.855 0.982 ( 9.498 3.062 -7.857) 12.702 1.116 ( 3.379 1.360 -2.452) 4.391 1.164 ( 1.409 1.894 -0.973) 2.553 1.211 ( 4.854 2.638 -5.689) 7.930 1.322 ( 0.750 0.635 -4.039) 4.157 1.446 ( -0.293 -3.406 2.395) 4.175 1.538 ( -0.722 -7.745 3.637) 8.587 1.555 ( 1.820 0.705 0.651) 2.057 1.593 ( 1.676 -1.667 -0.696) 2.464 1.745 ( 0.327 -2.871 0.341) 2.909 1.835 ( -1.720 1.639 -4.405) 5.005 1.839 ( 0.698 0.254 -0.870) 1.144 1.892 ( 2.568 -2.593 1.040) 3.795 1.928 ( 1.948 -1.438 1.647) 2.928 1.959 ( 0.159 1.214 0.854) 1.493 1.985 ( 10.017 -1.004 1.884) 10.242 2.019 ( 0.320 1.967 5.274) 5.638 2.053 ( 0.515 -2.309 -0.019) 2.366 2.084 ( 6.121 -1.059 -2.569) 6.722 2.186 ( 0.381 -1.665 -1.836) 2.508 2.200 ( 1.516 0.393 -0.929) 1.821 2.253 ( 1.958 -1.406 -0.625) 2.490 2.313 ( 1.980 2.499 1.256) 3.427 2.368 ( -0.170 3.120 0.491) 3.163 2.379 ( -0.443 0.475 -0.691) 0.948 2.447 ( -3.407 -2.770 3.179) 5.420 2.520 ( -0.292 -3.034 0.596) 3.106 2.523 ( -0.980 -0.911 1.816) 2.255 2.551 ( 2.201 0.352 -2.258) 3.173 2.642 ( -1.377 2.129 -0.319) 2.556 2.745 ( 0.819 -0.837 -0.451) 1.255 2.821 ( -1.400 0.499 0.477) 1.561 2.839 ( 1.825 -0.060 0.940) 2.054 2.900 ( 1.428 2.590 -0.330) 2.976 2.989 ( 0.922 -2.916 -2.676) 4.064 3.007 ( 5.226 -1.601 1.982) 5.814 3.028 ( -0.267 5.747 1.496) 5.944 3.101 ( 0.779 2.296 -6.364) 6.810 3.180 ( 3.830 8.660 -2.818) 9.880 3.252 ( 2.129 2.828 -1.619) 3.893 3.400 ( 3.271 3.233 -1.267) 4.771 3.428 ( 1.617 0.168 1.038) 1.929 3.524 ( 2.282 -4.187 0.534) 4.798 3.569 ( 5.693 -3.249 0.048) 6.555 3.658 ( -0.814 -0.697 -3.029) 3.213 3.745 ( -4.441 -3.008 -3.070) 6.180 3.770 ( -1.298 1.240 -1.284) 2.207 3.824 ( 0.005 -4.752 2.235) 5.252 3.946 ( 7.101 2.206 4.227) 8.553 4.092 ( 0.449 -1.231 2.281) 2.630 4.148 ( 1.331 -0.607 -1.772) 2.298 4.197 ( -2.151 -1.225 1.193) 2.748 4.241 ( -4.430 -2.656 1.001) 5.261 4.280 ( -4.478 0.674 0.448) 4.551 4.405 ( -2.491 0.661 0.797) 2.697 4.478 ( 0.957 1.151 -1.642) 2.222 4.521 ( -0.634 3.729 -0.442) 3.808 4.624 ( -3.300 -0.746 -0.007) 3.383 4.667 ( 0.280 4.049 -0.292) 4.069 4.810 ( -2.385 1.660 2.350) 3.737 4.853 ( 2.126 -1.532 3.441) 4.325 4.913 ( -3.136 -0.212 2.702) 4.145 4.981 ( -2.723 -1.915 -0.561) 3.376 5.018 ( -3.149 0.995 1.882) 3.802 5.148 ( 1.315 -4.104 -3.385) 5.480 5.272 ( -4.057 -3.139 -4.788) 7.017 5.342 ( 2.197 -7.722 -5.368) 9.657 5.469 ( -1.690 -5.389 1.369) 5.812 5.810 ( -0.212 2.199 2.045) 3.010 5.827 ( 3.387 3.214 1.485) 4.899 5.900 ( 3.168 5.299 -2.323) 6.596 6.011 ( 0.301 7.072 1.519) 7.240 6.454 ( -0.005 -5.251 1.731) 5.529 6.509 ( 2.341 -3.150 -1.803) 4.319 6.661 ( 3.796 -1.169 2.842) 4.884 6.732 ( 4.695 -0.304 -1.780) 5.031 7.015 ( 11.780 1.965 -6.453) 13.574 7.165 ( -3.578 -0.039 11.510) 12.054 8.509 ( 5.272 4.229 4.725) 8.247 8.619 ( 6.308 4.972 -1.022) 8.097 8.771 ( -1.895 -0.164 0.904) 2.106 8.904 ( 1.018 -0.555 -4.929) 5.063 9.154 ( -0.830 -0.977 -0.456) 1.361 9.214 ( 0.346 0.683 3.011) 3.107 9.349 ( 2.869 -4.125 -3.155) 5.933 9.367 ( 3.117 -1.775 -1.378) 3.842 9.466 ( 1.107 2.279 0.362) 2.559 9.603 ( -1.641 0.370 -2.426) 2.952 9.784 ( 3.769 2.089 0.386) 4.326 9.951 ( -1.826 -4.275 -0.518) 4.678 10.043 ( -3.740 -3.186 2.778) 5.645 10.071 ( 0.397 -3.492 -1.314) 3.752 10.312 ( -2.694 5.055 1.388) 5.894 10.371 ( -2.085 1.938 2.521) 3.802 10.732 ( -3.272 -0.810 1.431) 3.662 10.815 ( -0.188 -1.879 -2.568) 3.187 10.909 ( -7.263 3.262 -4.414) 9.104 11.109 ( -10.491 -0.912 -1.642) 10.658 12.393 ( 2.392 1.385 -0.136) 2.767 12.445 ( 2.409 1.058 0.051) 2.632 12.719 ( 3.400 -0.526 -1.902) 3.931 12.758 ( 2.293 -2.686 9.445) 10.084 18.932 ( 2.658 -0.348 -4.164) 4.953 18.999 ( -3.853 0.196 3.190) 5.007 19.020 ( 0.944 -1.515 -4.660) 4.990 19.038 ( -2.429 0.221 2.760) 3.684 19.337 ( -2.735 0.929 1.379) 3.201 19.407 ( -2.693 0.377 0.794) 2.833 19.466 ( -1.185 1.269 1.087) 2.049 19.531 ( -1.907 0.129 -0.321) 1.938 19.849 ( 1.513 -1.414 1.360) 2.478 19.904 ( 0.383 -1.250 -0.949) 1.616 19.995 ( 1.107 1.099 1.494) 2.160 20.038 ( 1.083 -0.107 -0.880) 1.400 20.361 ( 1.424 -0.372 -0.301) 1.502 20.393 ( 0.871 -1.363 0.078) 1.619 20.505 ( 3.176 1.960 0.203) 3.737 20.524 ( 2.588 1.490 1.475) 3.330 ======================= Grid point 150 (79/84) ======================= q-point: ( 0.44 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 3.121 -4.997 4.721) 7.550 0.834 ( -0.522 -5.355 -0.605) 5.414 1.016 ( 3.353 1.136 1.240) 3.751 1.113 ( -1.806 -0.256 -4.798) 5.133 1.192 ( 6.359 2.964 -3.022) 7.639 1.240 ( -1.064 1.418 0.135) 1.778 1.357 ( 8.423 5.147 -2.321) 10.140 1.464 ( -1.759 -0.292 0.376) 1.822 1.532 ( -3.541 -2.078 4.111) 5.811 1.571 ( -0.804 -1.734 -1.891) 2.689 1.607 ( 0.495 -2.089 2.702) 3.451 1.682 ( -4.295 -0.714 -4.630) 6.356 1.756 ( 1.306 -1.030 0.689) 1.801 1.811 ( -2.479 0.078 -1.910) 3.130 1.918 ( 0.492 -3.477 0.171) 3.515 1.935 ( -0.483 -3.176 -1.026) 3.372 2.008 ( 2.941 -1.115 0.826) 3.252 2.038 ( 1.824 -3.266 0.827) 3.831 2.045 ( -0.366 -2.330 0.880) 2.517 2.094 ( -1.213 -3.623 -1.725) 4.192 2.193 ( 1.329 -0.739 2.526) 2.949 2.202 ( 1.316 -2.454 0.111) 2.787 2.267 ( 0.384 -1.502 1.834) 2.401 2.293 ( 3.339 -1.402 0.759) 3.701 2.303 ( 1.848 0.466 -0.530) 1.978 2.365 ( 0.176 -2.854 0.504) 2.903 2.430 ( -0.389 2.179 2.641) 3.446 2.450 ( -1.521 3.277 3.047) 4.726 2.492 ( -0.031 0.258 -3.506) 3.515 2.524 ( -2.857 2.152 -2.768) 4.523 2.632 ( 6.411 -0.016 7.230) 9.663 2.658 ( 4.587 1.365 2.281) 5.302 2.746 ( -0.116 0.204 -1.505) 1.524 2.812 ( -0.300 -0.646 -1.367) 1.541 2.839 ( -0.282 -1.200 -1.789) 2.172 2.873 ( -2.858 -1.344 -3.682) 4.851 2.999 ( 3.514 4.880 0.030) 6.014 3.047 ( 0.343 8.166 0.182) 8.175 3.108 ( 2.473 3.156 3.299) 5.192 3.145 ( 3.902 1.155 1.809) 4.454 3.229 ( 5.140 1.610 -2.316) 5.863 3.292 ( 0.894 2.410 -0.080) 2.572 3.383 ( 0.173 3.605 -2.084) 4.168 3.418 ( -2.846 2.698 -1.221) 4.107 3.529 ( -5.040 -3.312 -3.027) 6.748 3.552 ( -0.809 -0.055 -6.032) 6.086 3.590 ( 0.665 -4.491 0.630) 4.583 3.661 ( -2.933 -1.996 -1.474) 3.842 3.758 ( 0.856 1.006 1.914) 2.325 3.799 ( 0.829 0.208 -0.644) 1.070 4.033 ( 1.446 2.649 1.018) 3.185 4.100 ( -4.281 4.040 -2.754) 6.498 4.116 ( 0.487 0.178 -0.169) 0.546 4.173 ( -5.403 -1.754 1.777) 5.952 4.203 ( 2.333 -2.099 0.012) 3.138 4.239 ( -1.506 -1.419 1.529) 2.573 4.420 ( 2.335 1.722 1.647) 3.336 4.504 ( -3.438 1.542 -0.868) 3.867 4.561 ( 5.245 -0.319 2.370) 5.764 4.598 ( 3.113 -0.378 0.526) 3.179 4.675 ( -0.609 6.027 1.797) 6.318 4.760 ( -4.476 0.535 -2.843) 5.330 4.920 ( 0.446 -1.517 3.077) 3.459 4.931 ( 0.281 -2.935 3.344) 4.458 4.946 ( -0.475 -0.751 0.160) 0.903 4.991 ( -3.070 0.596 0.530) 3.172 5.126 ( 2.472 -2.774 -3.866) 5.363 5.165 ( -2.402 -2.939 -2.212) 4.393 5.355 ( 3.428 -13.079 -1.358) 13.589 5.418 ( -3.959 -11.198 -0.325) 11.882 5.829 ( -0.193 -0.810 1.906) 2.080 5.845 ( 0.360 -2.958 -1.235) 3.226 5.974 ( 4.100 12.929 0.440) 13.570 6.020 ( -1.056 10.945 0.306) 11.000 6.481 ( 0.086 -3.010 2.480) 3.901 6.508 ( 0.616 -2.000 -2.417) 3.197 6.746 ( 0.586 -0.013 4.132) 4.173 6.771 ( 2.659 0.147 -2.997) 4.009 7.136 ( 11.072 -0.004 -7.442) 13.341 7.199 ( -7.389 -0.725 9.538) 12.087 8.621 ( 3.292 3.053 2.566) 5.171 8.692 ( 3.791 4.651 -3.638) 7.017 8.718 ( -3.041 1.407 2.384) 4.112 8.807 ( -4.196 3.891 -4.123) 7.053 9.198 ( 6.932 -1.384 -1.313) 7.190 9.271 ( -1.701 -1.318 4.496) 4.984 9.341 ( 0.017 -4.844 -1.923) 5.212 9.371 ( -2.051 -4.377 -0.579) 4.868 9.537 ( 3.961 2.530 1.240) 4.861 9.574 ( 0.986 2.771 -1.499) 3.301 9.853 ( 3.336 -0.108 0.055) 3.338 9.902 ( -2.839 -3.248 -0.192) 4.319 10.012 ( -2.351 -1.811 2.626) 3.963 10.040 ( -1.121 -1.945 -2.356) 3.254 10.302 ( 1.231 5.088 -0.101) 5.236 10.340 ( -3.212 3.548 0.811) 4.854 10.721 ( -1.203 -0.750 3.529) 3.803 10.774 ( -2.338 0.875 -2.964) 3.876 10.837 ( 4.039 -2.652 -2.034) 5.242 10.933 ( -7.749 -1.928 -0.579) 8.006 12.424 ( 1.550 1.313 0.134) 2.036 12.451 ( -0.725 0.810 -0.680) 1.282 12.780 ( 5.275 -0.792 -1.671) 5.590 12.826 ( -3.537 -2.161 4.772) 6.321 18.941 ( 4.034 0.161 -4.035) 5.708 18.970 ( -4.542 0.405 3.893) 5.996 19.006 ( 2.698 -1.209 -3.153) 4.322 19.023 ( -2.784 -0.596 2.478) 3.775 19.329 ( -0.384 1.439 1.832) 2.361 19.362 ( -1.800 1.525 -1.184) 2.639 19.474 ( 0.157 -0.156 1.322) 1.341 19.498 ( -1.074 -0.226 -0.870) 1.401 19.871 ( 0.125 -1.432 0.869) 1.680 19.887 ( -0.169 -1.408 -1.493) 2.059 20.025 ( 0.365 0.601 1.431) 1.594 20.040 ( 0.533 0.220 -1.261) 1.386 20.384 ( 1.152 -0.837 0.157) 1.433 20.399 ( -0.202 -1.273 -0.164) 1.300 20.553 ( 1.761 2.037 0.168) 2.698 20.563 ( 0.326 1.787 0.658) 1.932 ======================= Grid point 155 (80/84) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.728 -0.177 -0.587) 0.952 0.743 ( -0.728 -0.177 0.587) 0.952 0.956 ( -0.442 4.642 -3.222) 5.668 0.956 ( 0.442 4.642 3.222) 5.668 1.101 ( 0.271 1.630 -5.406) 5.653 1.101 ( -0.271 1.630 5.406) 5.653 1.346 ( 0.733 -1.295 -1.495) 2.109 1.346 ( -0.733 -1.295 1.495) 2.109 1.374 ( -0.806 -0.317 -3.069) 3.189 1.374 ( 0.806 -0.317 3.069) 3.189 1.461 ( -1.066 -6.518 -4.423) 7.949 1.461 ( 1.066 -6.518 4.423) 7.949 1.682 ( -1.382 -1.455 -1.517) 2.515 1.682 ( 1.382 -1.455 1.517) 2.515 1.768 ( -1.033 -1.174 -0.942) 1.826 1.768 ( 1.033 -1.174 0.942) 1.826 1.936 ( -0.851 -0.026 -1.091) 1.384 1.936 ( 0.851 -0.026 1.091) 1.384 2.007 ( -0.911 2.397 -0.542) 2.621 2.007 ( 0.911 2.397 0.542) 2.621 2.217 ( -3.077 5.912 -3.349) 7.459 2.217 ( 3.077 5.912 3.349) 7.459 2.300 ( -1.197 -0.957 -2.865) 3.249 2.300 ( 1.197 -0.957 2.865) 3.249 2.416 ( -0.027 4.240 -4.632) 6.280 2.416 ( 0.027 4.240 4.632) 6.280 2.496 ( -1.780 -1.908 -3.147) 4.088 2.496 ( 1.780 -1.908 3.147) 4.088 2.617 ( -0.852 -1.307 -2.441) 2.897 2.617 ( 0.852 -1.307 2.441) 2.897 2.639 ( -5.092 2.582 -3.118) 6.505 2.639 ( 5.092 2.582 3.118) 6.505 2.701 ( -1.754 -1.643 -2.708) 3.621 2.701 ( 1.754 -1.643 2.708) 3.621 2.794 ( -0.233 1.394 -0.320) 1.449 2.794 ( 0.233 1.394 0.320) 1.449 2.932 ( -2.548 3.588 0.615) 4.444 2.932 ( 2.548 3.588 -0.615) 4.444 3.089 ( -2.064 3.057 -4.307) 5.670 3.089 ( 2.064 3.057 4.307) 5.670 3.149 ( -4.263 -1.851 -2.108) 5.104 3.149 ( 4.263 -1.851 2.108) 5.104 3.277 ( 0.276 1.375 -1.779) 2.265 3.277 ( -0.276 1.375 1.779) 2.265 3.342 ( -2.217 1.963 -0.236) 2.970 3.342 ( 2.217 1.963 0.236) 2.970 3.469 ( -1.592 -4.104 -2.749) 5.190 3.469 ( 1.592 -4.104 2.749) 5.190 3.670 ( 0.016 -5.681 -1.938) 6.002 3.670 ( -0.016 -5.681 1.938) 6.002 3.789 ( -3.812 -4.891 -2.808) 6.807 3.789 ( 3.812 -4.891 2.808) 6.807 4.083 ( 3.418 -3.659 -3.105) 5.892 4.083 ( -3.418 -3.659 3.105) 5.892 4.318 ( -0.188 0.850 -0.738) 1.141 4.318 ( 0.188 0.850 0.738) 1.141 4.433 ( 1.428 0.943 -1.364) 2.188 4.433 ( -1.428 0.943 1.364) 2.188 4.611 ( -1.325 -3.896 -0.709) 4.176 4.611 ( 1.325 -3.896 0.709) 4.176 4.798 ( -0.221 0.605 -0.422) 0.770 4.798 ( 0.221 0.605 0.422) 0.770 4.927 ( -0.014 -0.732 -0.252) 0.774 4.927 ( 0.014 -0.732 0.252) 0.774 5.323 ( 1.423 2.103 -1.521) 2.960 5.323 ( -1.423 2.103 1.521) 2.960 5.394 ( 1.569 2.696 -2.466) 3.976 5.394 ( -1.569 2.696 2.466) 3.976 5.583 ( -3.975 9.423 -0.028) 10.228 5.583 ( 3.975 9.423 0.028) 10.228 5.786 ( -2.339 3.572 0.191) 4.274 5.786 ( 2.339 3.572 -0.191) 4.274 5.952 ( -0.954 0.555 -2.149) 2.416 5.952 ( 0.954 0.555 2.149) 2.416 6.172 ( -0.869 -11.903 -1.272) 12.003 6.172 ( 0.869 -11.903 1.272) 12.003 6.553 ( -0.104 -1.220 -0.965) 1.559 6.553 ( 0.104 -1.220 0.965) 1.559 6.912 ( 0.574 1.396 -3.019) 3.375 6.912 ( -0.574 1.396 3.019) 3.375 8.303 ( -0.746 8.315 -2.389) 8.683 8.303 ( 0.746 8.315 2.389) 8.683 8.590 ( -0.295 -8.546 -3.547) 9.257 8.590 ( 0.295 -8.546 3.547) 9.257 9.245 ( 2.670 4.217 -1.575) 5.234 9.245 ( -2.670 4.217 1.575) 5.234 9.482 ( 1.815 2.531 -4.178) 5.211 9.482 ( -1.815 2.531 4.178) 5.211 9.567 ( -0.185 -3.465 -2.663) 4.374 9.567 ( 0.185 -3.465 2.663) 4.374 9.757 ( 0.052 -4.164 -0.688) 4.221 9.757 ( -0.052 -4.164 0.688) 4.221 10.163 ( -1.753 0.721 -2.556) 3.182 10.163 ( 1.753 0.721 2.556) 3.182 10.194 ( -1.140 0.112 -1.577) 1.949 10.194 ( 1.140 0.112 1.577) 1.949 10.896 ( 0.075 0.384 -0.960) 1.036 10.896 ( -0.075 0.384 0.960) 1.036 11.476 ( -0.466 0.563 -0.086) 0.736 11.476 ( 0.466 0.563 0.086) 0.736 12.360 ( -2.936 2.831 -1.552) 4.364 12.360 ( 2.936 2.831 1.552) 4.364 12.511 ( -5.080 -1.871 -1.395) 5.590 12.511 ( 5.080 -1.871 1.395) 5.590 19.028 ( 2.427 1.519 -5.496) 6.197 19.028 ( -2.427 1.519 5.496) 6.197 19.067 ( 3.861 -1.846 -5.704) 7.131 19.067 ( -3.861 -1.846 5.704) 7.131 19.527 ( -0.533 0.236 -0.091) 0.590 19.527 ( 0.533 0.236 0.091) 0.590 19.566 ( -0.849 -0.222 -0.080) 0.881 19.566 ( 0.849 -0.222 0.080) 0.881 19.755 ( -2.586 1.521 -1.432) 3.325 19.755 ( 2.586 1.521 1.432) 3.325 19.835 ( -2.034 -0.673 -1.110) 2.413 19.835 ( 2.034 -0.673 1.110) 2.413 20.379 ( 0.478 0.206 -0.214) 0.563 20.379 ( -0.478 0.206 0.214) 0.563 20.415 ( -0.022 0.113 -0.054) 0.127 20.415 ( 0.022 0.113 0.054) 0.127 ======================= Grid point 157 (81/84) ======================= q-point: ( 0.11 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -2.204 2.340 0.318) 3.231 0.721 ( -0.796 -0.398 -1.155) 1.458 0.984 ( 4.886 7.805 -2.463) 9.532 1.062 ( 4.638 4.408 -5.794) 8.632 1.072 ( 4.561 -0.999 0.794) 4.736 1.174 ( 2.399 -3.694 2.854) 5.248 1.331 ( 1.345 -1.855 -4.905) 5.413 1.366 ( 1.355 -5.357 -3.747) 6.677 1.391 ( 1.705 -0.508 3.631) 4.044 1.402 ( 3.077 -1.755 0.605) 3.593 1.475 ( 5.066 1.304 1.370) 5.408 1.538 ( 2.907 -3.815 0.355) 4.809 1.642 ( 0.162 -0.758 0.499) 0.922 1.672 ( -1.327 -2.582 -0.639) 2.972 1.796 ( 3.065 1.010 1.273) 3.469 1.829 ( 3.121 -1.943 1.833) 4.108 1.888 ( 0.625 5.507 -5.428) 7.758 1.960 ( 1.365 -2.059 0.236) 2.482 1.992 ( 0.177 2.560 0.175) 2.572 2.028 ( 1.376 0.153 -0.305) 1.418 2.151 ( -1.235 3.950 -1.554) 4.421 2.217 ( -1.124 -2.276 -5.604) 6.152 2.291 ( 1.420 3.919 0.190) 4.173 2.313 ( -0.556 1.665 -0.766) 1.915 2.373 ( 1.196 4.308 -2.365) 5.058 2.425 ( -2.624 4.825 -0.166) 5.495 2.451 ( 0.644 -2.130 -0.138) 2.229 2.500 ( -3.257 0.314 -2.130) 3.904 2.522 ( -4.119 -3.646 1.868) 5.810 2.553 ( -1.912 -2.845 -3.221) 4.703 2.617 ( -3.031 -0.335 -0.440) 3.081 2.629 ( -1.925 -0.470 -1.201) 2.317 2.778 ( 0.906 1.724 0.828) 2.116 2.785 ( 4.802 1.759 0.895) 5.192 2.830 ( 3.148 1.628 0.756) 3.624 2.846 ( 3.175 1.263 1.007) 3.562 2.933 ( 0.014 2.169 -1.804) 2.821 2.967 ( 1.572 -0.733 -2.028) 2.669 3.065 ( 4.107 0.472 3.366) 5.331 3.080 ( -0.026 -2.209 1.580) 2.716 3.153 ( -1.003 2.795 0.133) 2.972 3.204 ( 1.310 -1.953 -1.567) 2.826 3.289 ( 1.526 4.381 1.907) 5.016 3.317 ( 3.264 1.006 3.217) 4.692 3.333 ( 3.816 -0.048 1.593) 4.135 3.413 ( 6.043 -4.553 -2.764) 8.056 3.477 ( 3.083 2.430 2.654) 4.738 3.526 ( 1.000 -0.543 2.130) 2.415 3.675 ( -0.232 -1.074 0.133) 1.106 3.750 ( 3.193 -5.549 4.869) 8.043 3.754 ( 3.031 1.035 1.271) 3.445 3.900 ( 5.750 -10.218 1.327) 11.800 4.028 ( -5.794 -2.488 2.416) 6.752 4.077 ( -0.977 -6.189 -1.328) 6.404 4.323 ( 0.695 1.400 -0.460) 1.629 4.340 ( -0.104 -0.106 1.355) 1.363 4.447 ( 0.255 2.089 3.037) 3.695 4.465 ( 2.566 -0.013 0.766) 2.678 4.581 ( -0.917 -1.394 -1.196) 2.053 4.634 ( -0.257 -5.596 0.776) 5.656 4.750 ( -2.895 1.231 -2.163) 3.818 4.774 ( -1.190 -0.274 -1.423) 1.875 4.927 ( -1.254 0.133 1.550) 1.998 4.934 ( -0.942 -1.030 1.816) 2.291 5.231 ( -6.864 2.951 -1.426) 7.606 5.253 ( -4.700 0.876 -3.486) 5.917 5.352 ( -3.375 4.395 -3.452) 6.529 5.378 ( -0.501 1.393 -3.133) 3.465 5.539 ( -2.168 9.233 1.173) 9.557 5.612 ( -2.342 5.261 -1.218) 5.886 5.763 ( 0.227 3.174 1.206) 3.403 5.805 ( -0.494 -2.854 -0.528) 2.944 5.926 ( 1.704 4.143 -2.159) 4.973 6.014 ( 3.261 4.877 2.236) 6.279 6.176 ( 3.184 -12.127 -0.795) 12.564 6.218 ( 2.372 -10.637 1.207) 10.965 6.547 ( 3.091 0.104 -3.490) 4.663 6.572 ( 3.601 -2.135 -2.607) 4.932 6.924 ( 2.559 3.739 0.228) 4.537 6.973 ( 1.036 -0.740 5.572) 5.716 8.327 ( 4.184 8.416 1.346) 9.494 8.401 ( 5.263 4.986 4.080) 8.319 8.598 ( 3.917 -4.740 -0.228) 6.153 8.680 ( 3.526 -8.999 4.969) 10.868 9.209 ( -2.526 5.706 0.617) 6.271 9.264 ( 2.281 1.101 -2.744) 3.734 9.436 ( -1.185 1.678 -4.432) 4.885 9.494 ( -2.364 0.483 -3.633) 4.361 9.501 ( -0.648 0.104 0.572) 0.871 9.594 ( 0.817 -4.171 0.003) 4.250 9.747 ( -0.142 -1.467 0.156) 1.482 9.783 ( 2.419 -5.269 0.327) 5.807 10.071 ( -2.478 1.583 -3.416) 4.507 10.105 ( -2.561 -1.380 -2.262) 3.685 10.274 ( 1.720 0.671 4.535) 4.896 10.279 ( 2.693 0.321 4.579) 5.322 10.864 ( -2.081 0.837 -1.324) 2.605 10.881 ( -2.331 -0.701 0.150) 2.438 11.446 ( -6.957 1.443 3.329) 7.847 11.462 ( -6.488 0.025 3.458) 7.351 12.294 ( 0.322 2.268 -2.072) 3.088 12.339 ( -0.710 -1.970 -2.435) 3.211 12.509 ( 3.972 5.843 0.195) 7.067 12.612 ( 4.802 -4.095 -0.613) 6.341 18.995 ( 1.983 1.924 -6.251) 6.834 19.040 ( -0.395 0.031 0.404) 0.566 19.052 ( -0.705 -1.797 -0.955) 2.154 19.063 ( -3.688 -1.331 4.441) 5.924 19.465 ( -3.792 0.391 0.435) 3.837 19.474 ( -4.043 -0.502 -0.493) 4.103 19.577 ( -1.402 1.801 0.733) 2.398 19.612 ( 0.328 -1.661 0.313) 1.722 19.708 ( -0.080 3.784 1.797) 4.190 19.782 ( 0.697 -3.412 1.834) 3.935 19.895 ( 5.144 2.702 2.341) 6.265 19.932 ( 4.748 -1.032 1.926) 5.227 20.360 ( -0.739 0.278 -0.837) 1.151 20.366 ( -0.548 -0.309 -1.045) 1.220 20.430 ( 2.173 0.494 -0.706) 2.337 20.433 ( 2.160 0.185 -0.669) 2.268 ======================= Grid point 158 (82/84) ======================= q-point: ( 0.22 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -1.369 3.316 3.317) 4.886 0.706 ( -1.168 0.773 1.134) 1.802 1.045 ( 6.555 8.360 -5.674) 12.043 1.064 ( 4.450 1.599 -4.020) 6.206 1.127 ( 2.701 -3.396 -3.587) 5.630 1.230 ( 3.672 -6.622 -0.369) 7.581 1.311 ( 2.182 -0.851 -6.459) 6.870 1.337 ( 1.203 -2.944 -0.507) 3.220 1.455 ( 1.124 0.749 1.377) 1.929 1.478 ( 4.038 -1.208 0.117) 4.216 1.554 ( 2.239 1.443 0.047) 2.664 1.605 ( 5.094 -3.888 -0.313) 6.415 1.701 ( 3.861 0.137 4.829) 6.184 1.737 ( 4.688 -3.312 4.046) 7.023 1.857 ( 3.287 5.969 -3.573) 7.694 1.877 ( 4.620 3.462 1.078) 5.873 1.911 ( 3.965 -1.662 -1.222) 4.469 1.977 ( 0.288 -2.471 -0.587) 2.556 2.024 ( 1.294 1.897 2.421) 3.337 2.052 ( 1.471 -0.751 0.137) 1.657 2.108 ( -1.278 3.110 -1.950) 3.887 2.165 ( 0.699 -3.271 -2.305) 4.062 2.254 ( -2.374 0.666 -4.033) 4.727 2.258 ( -3.378 0.590 -2.797) 4.425 2.346 ( -2.712 2.769 -0.792) 3.956 2.399 ( -3.598 0.068 0.382) 3.619 2.424 ( 0.480 2.205 -1.175) 2.544 2.462 ( -0.700 -1.507 -0.780) 1.836 2.470 ( -0.906 0.191 0.116) 0.933 2.532 ( 0.777 -2.803 -1.212) 3.152 2.559 ( -0.945 2.171 0.388) 2.400 2.614 ( -0.377 -2.373 1.638) 2.908 2.761 ( -0.541 1.150 -2.102) 2.456 2.810 ( -0.545 -1.886 -0.971) 2.190 2.830 ( -0.582 2.749 0.015) 2.810 2.905 ( 0.510 -3.215 -0.835) 3.361 2.936 ( 3.764 3.429 0.444) 5.111 2.983 ( 2.140 -0.506 -1.730) 2.798 3.079 ( 0.085 2.775 -0.811) 2.892 3.166 ( 1.773 0.788 -1.203) 2.283 3.187 ( 6.076 0.278 -0.182) 6.085 3.271 ( 8.941 -0.312 2.265) 9.229 3.357 ( 4.033 -2.408 -0.176) 4.701 3.397 ( 4.405 -2.647 -1.954) 5.499 3.448 ( 2.185 3.720 0.255) 4.322 3.481 ( 1.762 1.198 1.610) 2.671 3.556 ( 2.651 0.266 1.755) 3.190 3.608 ( 3.435 -3.085 1.686) 4.915 3.740 ( 5.865 6.534 5.504) 10.362 3.833 ( -0.069 -0.791 1.379) 1.591 3.845 ( 3.087 0.878 2.667) 4.173 3.963 ( -0.533 -6.741 0.439) 6.777 4.017 ( 4.833 -3.373 1.664) 6.124 4.082 ( 1.387 -8.898 4.251) 9.958 4.299 ( -1.530 1.374 -2.356) 3.127 4.322 ( -2.772 -0.585 -0.084) 2.834 4.486 ( -0.043 2.345 -0.211) 2.355 4.528 ( 1.850 -0.120 2.021) 2.743 4.540 ( -1.583 0.876 -1.499) 2.350 4.617 ( -2.237 -4.660 1.658) 5.428 4.694 ( -1.124 2.547 1.082) 2.987 4.766 ( 0.766 -2.723 0.965) 2.989 4.904 ( -3.574 1.722 1.214) 4.149 4.930 ( -1.883 -1.572 1.511) 2.880 5.081 ( -8.091 3.332 -1.202) 8.832 5.128 ( -4.229 -0.791 -3.559) 5.584 5.225 ( -5.180 5.958 -3.711) 8.724 5.305 ( -2.522 -1.880 -3.887) 5.000 5.467 ( -5.703 3.333 -5.628) 8.678 5.503 ( -5.537 2.693 -1.289) 6.291 5.770 ( -1.940 -4.517 0.959) 5.009 5.777 ( -1.742 -3.576 1.559) 4.272 5.995 ( 7.421 11.735 -0.469) 13.892 6.109 ( 4.234 7.637 2.114) 8.984 6.251 ( 4.483 -10.748 0.544) 11.658 6.287 ( 3.952 -8.845 2.023) 9.897 6.587 ( 5.604 1.354 -2.562) 6.309 6.627 ( 6.087 -2.274 -2.466) 6.950 6.991 ( 4.344 4.587 0.441) 6.333 7.063 ( 1.103 -1.981 5.972) 6.388 8.461 ( 6.912 6.965 3.779) 10.515 8.555 ( 6.584 0.602 3.676) 7.564 8.704 ( 6.373 0.143 1.360) 6.518 8.796 ( 3.900 -6.317 2.355) 7.788 9.181 ( -1.890 4.606 1.140) 5.108 9.264 ( 1.923 -2.299 -3.314) 4.468 9.335 ( -3.540 1.203 -5.657) 6.781 9.378 ( -2.563 -1.840 -4.245) 5.290 9.511 ( 0.081 3.445 0.223) 3.453 9.593 ( -0.110 -3.872 -1.077) 4.021 9.774 ( 2.437 2.178 1.207) 3.484 9.848 ( 3.960 -5.266 0.420) 6.603 10.006 ( -1.827 0.608 -1.294) 2.320 10.043 ( -2.630 -2.343 -0.687) 3.588 10.349 ( 0.767 1.403 4.096) 4.397 10.365 ( 1.265 -0.017 3.638) 3.852 10.795 ( -3.574 0.805 -1.658) 4.021 10.825 ( -3.133 -1.871 -1.370) 3.898 11.262 ( -14.998 3.359 -0.826) 15.392 11.306 ( -12.583 -0.948 -0.082) 12.619 12.346 ( 5.032 1.795 1.179) 5.471 12.385 ( 4.592 -1.618 1.645) 5.139 12.592 ( 4.697 3.657 1.786) 6.215 12.662 ( 2.831 -2.909 -1.221) 4.238 18.957 ( 1.968 1.580 -5.552) 6.099 19.007 ( 1.725 -3.218 -6.449) 7.411 19.038 ( -3.672 0.743 4.216) 5.640 19.050 ( -3.919 -0.377 4.548) 6.016 19.405 ( -3.722 0.765 0.683) 3.861 19.419 ( -2.913 -0.562 1.618) 3.379 19.544 ( -2.672 2.056 0.290) 3.383 19.575 ( -2.820 -0.853 -0.280) 2.960 19.781 ( 3.275 1.978 2.284) 4.456 19.835 ( 2.069 -2.953 1.556) 3.927 19.987 ( 2.075 1.742 1.590) 3.142 20.010 ( 1.974 -0.615 0.816) 2.223 20.348 ( 0.564 0.196 -0.667) 0.896 20.357 ( 0.658 -0.643 -0.410) 1.007 20.474 ( 3.546 0.786 -0.132) 3.635 20.477 ( 3.523 0.436 0.037) 3.550 ======================= Grid point 159 (83/84) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -1.466 2.796 1.746) 3.608 0.731 ( -0.456 -1.655 3.534) 3.929 1.026 ( 2.860 2.240 -5.840) 6.877 1.113 ( 1.178 -4.926 -3.062) 5.918 1.170 ( 8.265 4.859 -2.236) 9.845 1.264 ( 2.621 -1.696 -4.978) 5.876 1.330 ( 5.462 0.828 1.391) 5.696 1.381 ( 0.345 -3.320 3.981) 5.195 1.468 ( 0.770 2.468 -0.817) 2.712 1.533 ( 2.814 -2.607 -1.102) 3.991 1.587 ( 1.329 1.354 -0.329) 1.925 1.657 ( 2.205 -5.169 -0.996) 5.707 1.824 ( 2.242 -1.477 2.651) 3.773 1.829 ( 2.301 -0.766 0.768) 2.544 1.874 ( -1.886 -0.045 -1.394) 2.346 1.893 ( -1.271 0.247 -3.680) 3.902 1.961 ( 0.699 -0.198 -1.554) 1.715 1.980 ( 1.914 -0.577 -0.871) 2.181 2.045 ( -0.266 0.520 -0.671) 0.890 2.055 ( -0.780 0.924 -0.333) 1.254 2.135 ( 3.803 4.271 4.459) 7.252 2.153 ( 0.889 -1.144 -1.927) 2.411 2.186 ( 0.363 -0.905 -1.431) 1.732 2.214 ( 0.334 -1.739 1.263) 2.175 2.312 ( -4.251 -1.630 0.084) 4.554 2.341 ( 0.006 -3.769 4.991) 6.255 2.409 ( 0.282 1.649 -1.474) 2.230 2.430 ( -0.724 -1.284 0.059) 1.475 2.503 ( 1.624 2.990 1.329) 3.653 2.530 ( 0.533 1.127 0.279) 1.278 2.592 ( 3.488 2.546 -0.976) 4.427 2.640 ( 0.076 -1.869 1.695) 2.524 2.763 ( 2.234 1.088 -0.775) 2.603 2.791 ( 0.284 -1.050 -1.157) 1.588 2.840 ( 0.908 -1.429 0.925) 1.929 2.866 ( -2.457 -3.157 -1.075) 4.143 3.022 ( 5.472 4.601 -0.283) 7.155 3.037 ( 5.327 1.832 0.284) 5.641 3.103 ( 2.011 3.795 2.012) 4.743 3.195 ( 4.474 2.452 -2.693) 5.769 3.271 ( 2.949 0.406 -0.919) 3.115 3.363 ( 1.188 6.684 -5.235) 8.572 3.404 ( 3.505 -5.128 -2.014) 6.530 3.453 ( 2.256 0.944 -1.018) 2.649 3.475 ( 0.653 4.308 0.166) 4.360 3.535 ( 5.900 -1.275 1.492) 6.218 3.588 ( -0.955 -6.056 -2.724) 6.709 3.604 ( -0.394 -4.839 -0.902) 4.938 3.787 ( -2.047 0.320 -1.366) 2.481 3.790 ( -1.497 0.112 -1.035) 1.823 4.008 ( 6.522 2.301 3.299) 7.662 4.058 ( 5.567 -2.779 4.157) 7.483 4.112 ( 0.873 -0.472 3.514) 3.652 4.156 ( -0.273 -2.945 2.417) 3.820 4.236 ( -1.620 2.004 -1.584) 3.025 4.277 ( -2.190 -1.384 1.031) 2.789 4.443 ( -1.433 2.701 -1.770) 3.533 4.481 ( 0.123 -0.312 -4.185) 4.198 4.568 ( -0.731 1.594 2.366) 2.945 4.608 ( -0.819 -1.996 0.025) 2.158 4.752 ( 2.740 2.757 4.138) 5.677 4.792 ( -1.358 -0.916 2.517) 3.003 4.850 ( -3.792 1.731 2.008) 4.627 4.908 ( -2.409 -4.305 2.257) 5.425 4.968 ( -3.152 3.232 0.622) 4.557 5.030 ( -3.147 -2.320 -1.638) 4.239 5.113 ( -4.039 3.996 -1.260) 5.819 5.217 ( -2.359 -4.545 -3.624) 6.273 5.269 ( -6.292 2.134 -7.745) 10.204 5.366 ( -6.801 -5.432 -3.559) 9.404 5.767 ( -0.822 -2.761 2.307) 3.691 5.771 ( -0.887 -2.647 1.413) 3.129 6.124 ( 6.726 11.493 0.323) 13.320 6.200 ( 3.338 8.789 1.696) 9.554 6.329 ( 2.642 -7.021 2.385) 7.872 6.384 ( 3.911 -8.229 1.004) 9.166 6.671 ( 5.812 1.627 -0.553) 6.061 6.709 ( 5.842 -1.783 -1.878) 6.390 7.075 ( 4.905 3.575 -0.299) 6.077 7.141 ( -0.276 -2.457 5.506) 6.036 8.617 ( 4.779 5.653 3.763) 8.304 8.696 ( 3.588 -0.405 4.086) 5.453 8.788 ( 3.721 3.327 -3.428) 6.055 8.866 ( 4.749 -3.125 -2.659) 6.276 9.152 ( -1.921 0.945 -0.723) 2.259 9.198 ( -1.402 -2.915 -3.375) 4.675 9.294 ( 1.257 0.967 0.345) 1.623 9.336 ( -0.865 -1.995 0.366) 2.205 9.520 ( 1.879 2.874 -0.287) 3.446 9.579 ( 0.666 -2.547 -1.088) 2.849 9.837 ( 2.357 2.808 0.462) 3.695 9.888 ( 0.423 -2.146 -1.549) 2.681 9.985 ( -1.538 -1.439 1.883) 2.825 10.005 ( 0.192 -2.789 -0.523) 2.844 10.386 ( -0.951 2.159 2.022) 3.107 10.400 ( -1.126 0.619 2.320) 2.652 10.724 ( -2.347 0.502 -0.421) 2.437 10.760 ( -0.960 -2.736 -2.124) 3.595 10.998 ( -11.626 4.514 -2.495) 12.719 11.073 ( -11.730 -2.725 -1.960) 12.201 12.429 ( 2.262 1.885 0.614) 3.008 12.456 ( 1.826 -0.367 0.243) 1.878 12.706 ( 3.272 -0.488 0.321) 3.324 12.712 ( 3.320 -1.342 4.670) 5.885 18.938 ( 2.904 1.079 -4.445) 5.418 18.972 ( 2.214 -2.062 -4.585) 5.494 19.017 ( -4.041 0.746 3.553) 5.432 19.033 ( -3.712 -0.631 3.512) 5.148 19.367 ( -2.109 1.769 1.478) 3.125 19.398 ( -1.974 -1.138 1.733) 2.863 19.501 ( -2.071 1.722 -0.354) 2.716 19.526 ( -2.083 -0.720 -0.667) 2.302 19.839 ( 1.126 0.512 0.733) 1.438 19.867 ( 0.452 -1.974 -0.228) 2.038 20.017 ( 0.869 0.958 0.413) 1.357 20.032 ( 0.890 -0.482 -0.311) 1.059 20.359 ( 0.981 0.199 -0.112) 1.007 20.370 ( 0.787 -0.874 0.022) 1.176 20.539 ( 3.295 1.152 0.602) 3.542 20.547 ( 3.048 0.452 1.112) 3.276 ======================= Grid point 160 (84/84) ======================= q-point: ( 0.44 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 0.675 -0.143 2.148) 2.256 0.738 ( -1.410 -3.579 -0.073) 3.848 1.042 ( 2.406 1.804 0.449) 3.041 1.089 ( -0.298 -2.192 -2.605) 3.418 1.252 ( 4.200 2.424 -2.551) 5.479 1.270 ( 1.055 0.793 -0.997) 1.655 1.437 ( 3.236 0.148 2.594) 4.150 1.451 ( 1.888 -1.088 5.632) 6.039 1.478 ( 1.216 1.802 -1.177) 2.472 1.532 ( -0.669 -2.409 -2.885) 3.818 1.603 ( 1.659 1.740 0.124) 2.407 1.690 ( 3.633 -5.000 -0.435) 6.195 1.711 ( -6.907 2.700 -4.503) 8.676 1.791 ( -5.455 -3.611 -2.157) 6.888 1.853 ( -0.089 -0.422 0.667) 0.794 1.862 ( 0.660 -1.719 -1.856) 2.614 1.977 ( 1.703 -1.313 0.614) 2.237 1.999 ( 2.279 -1.207 -0.420) 2.613 2.016 ( -1.419 -0.989 -0.644) 1.845 2.036 ( -1.652 -1.329 0.316) 2.144 2.155 ( 1.531 -0.744 -0.467) 1.765 2.190 ( -1.711 1.176 0.363) 2.108 2.207 ( 2.064 -4.185 -1.324) 4.850 2.233 ( -2.396 -3.250 1.531) 4.318 2.299 ( 1.932 1.247 1.448) 2.717 2.339 ( -1.667 -2.209 -0.901) 2.911 2.478 ( 2.755 4.095 6.766) 8.374 2.523 ( 2.476 1.529 1.503) 3.275 2.539 ( -0.774 2.566 2.745) 3.837 2.566 ( 0.174 -0.196 3.404) 3.414 2.630 ( 2.565 1.952 2.376) 4.005 2.665 ( 3.281 -0.174 1.539) 3.628 2.754 ( -0.669 -1.002 -4.847) 4.994 2.781 ( -1.997 -2.607 -6.999) 7.731 2.821 ( 2.786 1.513 0.650) 3.237 2.859 ( 0.052 -0.962 -0.619) 1.145 3.124 ( 5.381 5.444 1.367) 7.776 3.158 ( 5.078 0.952 3.678) 6.343 3.187 ( 2.410 4.105 3.288) 5.785 3.213 ( -0.685 6.195 -2.058) 6.564 3.260 ( 1.240 0.535 -3.342) 3.605 3.316 ( -4.108 -2.429 -4.207) 6.362 3.401 ( 0.265 -0.137 0.242) 0.384 3.444 ( -1.525 -2.838 -2.217) 3.911 3.469 ( 2.003 1.258 -0.200) 2.374 3.513 ( -0.610 -2.780 1.007) 3.019 3.569 ( -0.286 1.631 -4.079) 4.402 3.613 ( -1.881 -2.611 -2.171) 3.882 3.783 ( 2.755 1.925 1.803) 3.814 3.811 ( 2.301 -0.011 0.429) 2.341 4.086 ( 2.134 1.686 0.137) 2.723 4.104 ( -2.261 -1.604 2.730) 3.891 4.131 ( 1.536 0.641 -2.175) 2.739 4.173 ( 1.828 -2.102 -1.166) 3.020 4.196 ( -5.019 3.680 -0.587) 6.252 4.230 ( -3.792 0.133 1.560) 4.102 4.450 ( 2.067 0.678 2.806) 3.550 4.480 ( 4.454 -1.971 -3.377) 5.927 4.550 ( -3.164 0.871 -0.160) 3.286 4.577 ( -2.951 -2.656 -0.570) 4.011 4.797 ( 2.344 5.177 1.866) 5.981 4.833 ( -1.130 4.805 3.139) 5.849 4.875 ( 1.622 -1.395 3.798) 4.359 4.916 ( -0.960 -0.906 -0.111) 1.325 4.949 ( 0.092 1.564 1.429) 2.120 4.992 ( -1.222 -1.468 0.488) 1.971 5.074 ( -0.908 -1.430 1.811) 2.480 5.104 ( -1.649 -0.883 -6.453) 6.719 5.144 ( -1.787 -6.453 -0.723) 6.735 5.210 ( -5.050 -8.456 -4.226) 10.718 5.776 ( 0.134 -2.116 0.383) 2.154 5.779 ( -0.592 -2.374 1.222) 2.735 6.220 ( 3.845 10.484 0.048) 11.167 6.249 ( 0.150 9.766 0.862) 9.805 6.395 ( 1.387 -5.591 2.535) 6.293 6.425 ( 0.825 -6.241 -1.119) 6.394 6.752 ( 2.516 0.627 1.046) 2.796 6.766 ( 2.670 -0.560 -1.529) 3.127 7.145 ( 4.421 0.977 -1.870) 4.899 7.173 ( -2.718 -1.592 4.037) 5.121 8.700 ( 1.654 3.711 1.587) 4.362 8.735 ( -1.793 0.495 0.715) 1.993 8.813 ( 3.438 4.977 -1.367) 6.202 8.863 ( -0.608 0.598 -3.295) 3.404 9.174 ( 5.321 -0.308 0.254) 5.336 9.209 ( 3.404 -3.624 0.832) 5.042 9.279 ( -3.953 -1.024 -0.241) 4.091 9.297 ( -3.785 -2.625 -0.825) 4.679 9.581 ( 3.620 1.708 0.589) 4.046 9.602 ( 1.168 -0.040 0.790) 1.411 9.837 ( -0.294 -0.724 -1.505) 1.696 9.850 ( -2.502 -1.659 -0.261) 3.013 9.996 ( 0.461 0.559 1.824) 1.962 10.016 ( 0.604 -0.985 -1.011) 1.535 10.383 ( 0.034 2.380 0.115) 2.383 10.394 ( -1.558 1.238 1.034) 2.243 10.720 ( 1.444 1.156 1.560) 2.419 10.769 ( 3.820 -3.194 -0.345) 4.991 10.814 ( -6.460 2.716 -2.347) 7.391 10.879 ( -8.070 -3.219 -1.340) 8.791 12.453 ( 0.712 1.225 0.053) 1.418 12.464 ( -0.140 0.193 -0.466) 0.524 12.767 ( 2.772 -0.174 0.002) 2.777 12.782 ( -0.391 -1.687 2.633) 3.151 18.951 ( 4.006 0.916 -3.642) 5.491 18.975 ( 2.238 -1.064 -2.111) 3.255 18.986 ( -3.169 0.481 2.204) 3.890 19.005 ( -3.900 -1.071 3.058) 5.071 19.365 ( -0.193 1.724 1.387) 2.221 19.384 ( -1.195 0.192 0.183) 1.224 19.475 ( -0.473 0.399 0.181) 0.645 19.489 ( -1.062 -0.719 -0.946) 1.593 19.849 ( 0.070 -0.441 0.173) 0.479 19.858 ( -0.220 -1.165 -0.840) 1.453 20.036 ( 0.495 0.441 0.515) 0.839 20.041 ( 0.500 -0.072 -0.358) 0.619 20.373 ( 0.586 -0.179 0.058) 0.616 20.378 ( 0.110 -0.678 -0.044) 0.688 20.588 ( 1.436 1.116 0.323) 1.847 20.592 ( 0.862 0.729 0.524) 1.244 =================== 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 3/32400 10.0 8.956 8.395 9.811 0.000 1.707 0.000 3/32400 20.0 2.495 2.128 2.811 0.000 0.392 0.000 3/32400 30.0 1.463 1.222 1.589 0.000 0.213 0.000 3/32400 40.0 1.074 0.893 1.130 0.000 0.152 0.000 3/32400 50.0 0.865 0.723 0.888 0.000 0.120 0.000 3/32400 60.0 0.731 0.616 0.737 0.000 0.099 0.000 3/32400 70.0 0.636 0.540 0.632 0.000 0.084 0.000 3/32400 80.0 0.564 0.482 0.554 0.000 0.072 0.000 3/32400 90.0 0.508 0.436 0.495 0.000 0.063 0.000 3/32400 100.0 0.463 0.399 0.447 0.000 0.056 0.000 3/32400 110.0 0.425 0.367 0.408 0.000 0.050 0.000 3/32400 120.0 0.394 0.340 0.375 0.000 0.046 0.000 3/32400 130.0 0.367 0.317 0.348 0.000 0.042 0.000 3/32400 140.0 0.344 0.297 0.324 0.000 0.039 0.000 3/32400 150.0 0.324 0.279 0.303 0.000 0.036 0.000 3/32400 160.0 0.306 0.263 0.285 0.000 0.033 0.000 3/32400 170.0 0.290 0.249 0.270 0.000 0.031 0.000 3/32400 180.0 0.276 0.236 0.255 0.000 0.029 0.000 3/32400 190.0 0.263 0.225 0.243 0.000 0.028 0.000 3/32400 200.0 0.251 0.214 0.231 0.000 0.026 0.000 3/32400 210.0 0.240 0.205 0.221 0.000 0.025 0.000 3/32400 220.0 0.230 0.196 0.211 0.000 0.024 0.000 3/32400 230.0 0.221 0.188 0.203 0.000 0.022 0.000 3/32400 240.0 0.213 0.181 0.195 0.000 0.021 0.000 3/32400 250.0 0.205 0.174 0.187 0.000 0.020 0.000 3/32400 260.0 0.198 0.168 0.180 0.000 0.020 0.000 3/32400 270.0 0.192 0.162 0.174 0.000 0.019 0.000 3/32400 280.0 0.185 0.156 0.168 0.000 0.018 0.000 3/32400 290.0 0.179 0.151 0.163 0.000 0.017 0.000 3/32400 300.0 0.174 0.146 0.157 0.000 0.017 0.000 3/32400 310.0 0.169 0.142 0.153 0.000 0.016 0.000 3/32400 320.0 0.164 0.138 0.148 0.000 0.016 0.000 3/32400 330.0 0.159 0.134 0.144 0.000 0.015 0.000 3/32400 340.0 0.155 0.130 0.140 0.000 0.015 0.000 3/32400 350.0 0.151 0.126 0.136 0.000 0.014 0.000 3/32400 360.0 0.147 0.123 0.132 0.000 0.014 0.000 3/32400 370.0 0.143 0.120 0.129 0.000 0.013 0.000 3/32400 380.0 0.140 0.117 0.126 0.000 0.013 0.000 3/32400 390.0 0.136 0.114 0.123 0.000 0.013 0.000 3/32400 400.0 0.133 0.111 0.120 0.000 0.012 0.000 3/32400 410.0 0.130 0.108 0.117 0.000 0.012 0.000 3/32400 420.0 0.127 0.106 0.114 0.000 0.012 0.000 3/32400 430.0 0.124 0.103 0.112 0.000 0.011 0.000 3/32400 440.0 0.122 0.101 0.109 0.000 0.011 0.000 3/32400 450.0 0.119 0.099 0.107 0.000 0.011 0.000 3/32400 460.0 0.117 0.097 0.104 0.000 0.011 0.000 3/32400 470.0 0.114 0.095 0.102 0.000 0.010 0.000 3/32400 480.0 0.112 0.093 0.100 0.000 0.010 0.000 3/32400 490.0 0.110 0.091 0.098 0.000 0.010 0.000 3/32400 500.0 0.108 0.089 0.096 0.000 0.010 0.000 3/32400 510.0 0.106 0.088 0.094 0.000 0.009 0.000 3/32400 520.0 0.104 0.086 0.093 0.000 0.009 0.000 3/32400 530.0 0.102 0.084 0.091 0.000 0.009 0.000 3/32400 540.0 0.100 0.083 0.089 0.000 0.009 0.000 3/32400 550.0 0.098 0.081 0.088 0.000 0.009 0.000 3/32400 560.0 0.097 0.080 0.086 0.000 0.009 0.000 3/32400 570.0 0.095 0.078 0.085 0.000 0.008 0.000 3/32400 580.0 0.093 0.077 0.083 0.000 0.008 0.000 3/32400 590.0 0.092 0.076 0.082 0.000 0.008 0.000 3/32400 600.0 0.090 0.075 0.081 0.000 0.008 0.000 3/32400 610.0 0.089 0.073 0.079 0.000 0.008 0.000 3/32400 620.0 0.087 0.072 0.078 0.000 0.008 0.000 3/32400 630.0 0.086 0.071 0.077 0.000 0.008 0.000 3/32400 640.0 0.085 0.070 0.076 0.000 0.007 0.000 3/32400 650.0 0.084 0.069 0.075 0.000 0.007 0.000 3/32400 660.0 0.082 0.068 0.073 0.000 0.007 0.000 3/32400 670.0 0.081 0.067 0.072 0.000 0.007 0.000 3/32400 680.0 0.080 0.066 0.071 0.000 0.007 0.000 3/32400 690.0 0.079 0.065 0.070 0.000 0.007 0.000 3/32400 700.0 0.078 0.064 0.069 0.000 0.007 0.000 3/32400 710.0 0.077 0.063 0.068 0.000 0.007 0.000 3/32400 720.0 0.076 0.062 0.067 0.000 0.007 0.000 3/32400 730.0 0.075 0.061 0.067 0.000 0.007 0.000 3/32400 740.0 0.074 0.061 0.066 0.000 0.006 0.000 3/32400 750.0 0.073 0.060 0.065 0.000 0.006 0.000 3/32400 760.0 0.072 0.059 0.064 0.000 0.006 0.000 3/32400 770.0 0.071 0.058 0.063 0.000 0.006 0.000 3/32400 780.0 0.070 0.058 0.062 0.000 0.006 0.000 3/32400 790.0 0.069 0.057 0.062 0.000 0.006 0.000 3/32400 800.0 0.068 0.056 0.061 0.000 0.006 0.000 3/32400 810.0 0.067 0.055 0.060 0.000 0.006 0.000 3/32400 820.0 0.067 0.055 0.059 0.000 0.006 0.000 3/32400 830.0 0.066 0.054 0.059 0.000 0.006 0.000 3/32400 840.0 0.065 0.054 0.058 0.000 0.006 0.000 3/32400 850.0 0.064 0.053 0.057 0.000 0.006 0.000 3/32400 860.0 0.064 0.052 0.057 0.000 0.006 0.000 3/32400 870.0 0.063 0.052 0.056 0.000 0.005 0.000 3/32400 880.0 0.062 0.051 0.055 0.000 0.005 0.000 3/32400 890.0 0.061 0.051 0.055 0.000 0.005 0.000 3/32400 900.0 0.061 0.050 0.054 0.000 0.005 0.000 3/32400 910.0 0.060 0.049 0.053 0.000 0.005 0.000 3/32400 920.0 0.059 0.049 0.053 0.000 0.005 0.000 3/32400 930.0 0.059 0.048 0.052 0.000 0.005 0.000 3/32400 940.0 0.058 0.048 0.052 0.000 0.005 0.000 3/32400 950.0 0.058 0.047 0.051 0.000 0.005 0.000 3/32400 960.0 0.057 0.047 0.051 0.000 0.005 0.000 3/32400 970.0 0.056 0.046 0.050 0.000 0.005 0.000 3/32400 980.0 0.056 0.046 0.050 0.000 0.005 0.000 3/32400 990.0 0.055 0.045 0.049 0.000 0.005 0.000 3/32400 1000.0 0.055 0.045 0.049 0.000 0.005 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m956.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:18:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|