----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:15:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.070932145027515 -5.905352150000000 0.000000000000000 b 3.070932145027515 5.905352150000000 0.000000000000000 c -0.300718095229945 0.000000000000000 13.220416567105882 Atomic positions (fractional): *1 N 0.68689592004806 0.86643298167384 0.95111069387784 14.007 2 N 0.13356701832616 0.31310407995194 0.54888930612216 14.007 3 N 0.31310407995194 0.13356701832616 0.04888930612216 14.007 4 N 0.86643298167384 0.68689592004806 0.45111069387784 14.007 *5 N 0.99401271366229 0.00598728633771 0.75000000000000 14.007 6 N 0.00598728633771 0.99401271366229 0.25000000000000 14.007 *7 N 0.43655072141808 0.56344927858192 0.75000000000000 14.007 8 N 0.56344927858192 0.43655072141808 0.25000000000000 14.007 *9 N 0.47092539447562 0.15452793836865 0.62860543324025 14.007 10 N 0.15452793836865 0.47092539447562 0.12860543324026 14.007 11 N 0.52907460552438 0.84547206163135 0.37139456675975 14.007 12 N 0.84547206163135 0.52907460552438 0.87139456675975 14.007 *13 Ba 0.55391182878128 0.95092265231820 0.14170731624596 137.327 *14 Ba 0.35592064667290 0.12877117037516 0.42333146058238 137.327 15 Ba 0.12877117037516 0.35592064667290 0.92333146058238 137.327 16 Ba 0.64407935332710 0.87122882962484 0.57666853941762 137.327 17 Ba 0.44608817121872 0.04907734768180 0.85829268375404 137.327 18 Ba 0.95092265231820 0.55391182878128 0.64170731624596 137.327 19 Ba 0.04907734768180 0.44608817121872 0.35829268375404 137.327 20 Ba 0.87122882962484 0.64407935332710 0.07666853941762 137.327 *21 Ta 0.73608656259223 0.74211500162185 0.33363309224492 180.948 22 Ta 0.25788499837815 0.26391343740777 0.16636690775508 180.948 23 Ta 0.26391343740777 0.25788499837815 0.66636690775508 180.948 24 Ta 0.74211500162185 0.73608656259223 0.83363309224492 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.141864290055031 0.000000000000000 0.000000000000000 b 0.000000000000000 11.810704299999999 0.000000000000000 c -0.300718095229945 0.000000000000000 13.220416567105882 Atomic positions (fractional): *1 N 0.77666445086095 0.08976853081289 0.95111069387784 14.007 > 1 2 N 0.22333554913905 0.08976853081289 0.54888930612216 14.007 > 2 3 N 0.72333554913905 0.41023146918711 0.04888930612216 14.007 > 3 4 N 0.27666445086095 0.41023146918711 0.45111069387784 14.007 > 4 *5 N 0.00000000000000 0.00598728633771 0.75000000000000 14.007 > 5 6 N 0.50000000000000 0.49401271366229 0.25000000000000 14.007 > 6 *7 N 0.50000000000000 0.06344927858192 0.75000000000000 14.007 > 7 8 N 0.00000000000000 0.43655072141808 0.25000000000000 14.007 > 8 *9 N 0.81272666642214 0.34180127194651 0.62860543324025 14.007 > 9 10 N 0.31272666642214 0.15819872805349 0.12860543324026 14.007 > 10 11 N 0.68727333357786 0.15819872805349 0.37139456675975 14.007 > 11 12 N 0.18727333357786 0.34180127194651 0.87139456675975 14.007 > 12 13 N 0.27666445086095 0.58976853081289 0.95111069387784 14.007 > 1 14 N 0.72333554913905 0.58976853081289 0.54888930612216 14.007 > 2 15 N 0.22333554913905 0.91023146918711 0.04888930612216 14.007 > 3 16 N 0.77666445086095 0.91023146918711 0.45111069387784 14.007 > 4 17 N 0.50000000000000 0.50598728633771 0.75000000000000 14.007 > 5 18 N 0.00000000000000 0.99401271366229 0.25000000000000 14.007 > 6 19 N 0.00000000000000 0.56344927858192 0.75000000000000 14.007 > 7 20 N 0.50000000000000 0.93655072141808 0.25000000000000 14.007 > 8 21 N 0.31272666642214 0.84180127194651 0.62860543324025 14.007 > 9 22 N 0.81272666642214 0.65819872805349 0.12860543324026 14.007 > 10 23 N 0.18727333357786 0.65819872805349 0.37139456675975 14.007 > 11 24 N 0.68727333357786 0.84180127194651 0.87139456675975 14.007 > 12 *25 Ba 0.75241724054974 0.19850541176846 0.14170731624596 137.327 > 13 *26 Ba 0.74234590852403 0.38642526185113 0.42333146058238 137.327 > 14 27 Ba 0.24234590852403 0.11357473814887 0.92333146058238 137.327 > 15 28 Ba 0.75765409147597 0.11357473814887 0.57666853941762 137.327 > 16 29 Ba 0.74758275945026 0.30149458823154 0.85829268375404 137.327 > 17 30 Ba 0.25241724054974 0.30149458823154 0.64170731624596 137.327 > 18 31 Ba 0.24758275945026 0.19850541176846 0.35829268375404 137.327 > 19 32 Ba 0.25765409147597 0.38642526185113 0.07666853941762 137.327 > 20 33 Ba 0.25241724054974 0.69850541176846 0.14170731624596 137.327 > 13 34 Ba 0.24234590852403 0.88642526185113 0.42333146058238 137.327 > 14 35 Ba 0.74234590852403 0.61357473814887 0.92333146058238 137.327 > 15 36 Ba 0.25765409147597 0.61357473814887 0.57666853941762 137.327 > 16 37 Ba 0.24758275945026 0.80149458823154 0.85829268375404 137.327 > 17 38 Ba 0.75241724054974 0.80149458823154 0.64170731624596 137.327 > 18 39 Ba 0.74758275945026 0.69850541176846 0.35829268375404 137.327 > 19 40 Ba 0.75765409147597 0.88642526185113 0.07666853941762 137.327 > 20 *41 Ta 0.73910078210704 0.00301421951481 0.33363309224492 180.948 > 21 42 Ta 0.26089921789296 0.00301421951481 0.16636690775508 180.948 > 22 43 Ta 0.76089921789296 0.49698578048519 0.66636690775508 180.948 > 23 44 Ta 0.23910078210704 0.49698578048519 0.83363309224492 180.948 > 24 45 Ta 0.23910078210704 0.50301421951481 0.33363309224492 180.948 > 21 46 Ta 0.76089921789296 0.50301421951481 0.16636690775508 180.948 > 22 47 Ta 0.26089921789296 0.99698578048519 0.66636690775508 180.948 > 23 48 Ta 0.73910078210704 0.99698578048519 0.83363309224492 180.948 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.283728580110061 0.000000000000000 0.000000000000000 b 0.000000000000000 11.810704299999999 0.000000000000000 c -0.300718095229945 0.000000000000000 13.220416567105882 Atomic positions (fractional): *1 N 0.38833222543047 0.08976853081289 0.95111069387784 14.007 > 1 2 N 0.88833222543047 0.08976853081289 0.95111069387784 14.007 > 1 3 N 0.11166777456953 0.08976853081289 0.54888930612216 14.007 > 2 4 N 0.61166777456953 0.08976853081289 0.54888930612216 14.007 > 2 5 N 0.36166777456953 0.41023146918711 0.04888930612216 14.007 > 3 6 N 0.86166777456953 0.41023146918711 0.04888930612216 14.007 > 3 7 N 0.13833222543047 0.41023146918711 0.45111069387784 14.007 > 4 8 N 0.63833222543047 0.41023146918711 0.45111069387784 14.007 > 4 *9 N 0.00000000000000 0.00598728633771 0.75000000000000 14.007 > 5 10 N 0.50000000000000 0.00598728633771 0.75000000000000 14.007 > 5 11 N 0.25000000000000 0.49401271366229 0.25000000000000 14.007 > 6 12 N 0.75000000000000 0.49401271366229 0.25000000000000 14.007 > 6 *13 N 0.25000000000000 0.06344927858192 0.75000000000000 14.007 > 7 14 N 0.75000000000000 0.06344927858192 0.75000000000000 14.007 > 7 15 N 0.00000000000000 0.43655072141808 0.25000000000000 14.007 > 8 16 N 0.50000000000000 0.43655072141808 0.25000000000000 14.007 > 8 *17 N 0.40636333321107 0.34180127194651 0.62860543324025 14.007 > 9 18 N 0.90636333321107 0.34180127194651 0.62860543324025 14.007 > 9 19 N 0.15636333321107 0.15819872805349 0.12860543324026 14.007 > 10 20 N 0.65636333321107 0.15819872805349 0.12860543324026 14.007 > 10 21 N 0.34363666678893 0.15819872805349 0.37139456675975 14.007 > 11 22 N 0.84363666678893 0.15819872805349 0.37139456675975 14.007 > 11 23 N 0.09363666678893 0.34180127194651 0.87139456675975 14.007 > 12 24 N 0.59363666678893 0.34180127194651 0.87139456675975 14.007 > 12 25 N 0.13833222543047 0.58976853081289 0.95111069387784 14.007 > 1 26 N 0.63833222543047 0.58976853081289 0.95111069387784 14.007 > 1 27 N 0.36166777456953 0.58976853081289 0.54888930612216 14.007 > 2 28 N 0.86166777456953 0.58976853081289 0.54888930612216 14.007 > 2 29 N 0.11166777456953 0.91023146918711 0.04888930612216 14.007 > 3 30 N 0.61166777456953 0.91023146918711 0.04888930612216 14.007 > 3 31 N 0.38833222543047 0.91023146918711 0.45111069387784 14.007 > 4 32 N 0.88833222543047 0.91023146918711 0.45111069387784 14.007 > 4 33 N 0.25000000000000 0.50598728633771 0.75000000000000 14.007 > 5 34 N 0.75000000000000 0.50598728633771 0.75000000000000 14.007 > 5 35 N 0.00000000000000 0.99401271366229 0.25000000000000 14.007 > 6 36 N 0.50000000000000 0.99401271366229 0.25000000000000 14.007 > 6 37 N 0.00000000000000 0.56344927858192 0.75000000000000 14.007 > 7 38 N 0.50000000000000 0.56344927858192 0.75000000000000 14.007 > 7 39 N 0.25000000000000 0.93655072141808 0.25000000000000 14.007 > 8 40 N 0.75000000000000 0.93655072141808 0.25000000000000 14.007 > 8 41 N 0.15636333321107 0.84180127194651 0.62860543324025 14.007 > 9 42 N 0.65636333321107 0.84180127194651 0.62860543324025 14.007 > 9 43 N 0.40636333321107 0.65819872805349 0.12860543324026 14.007 > 10 44 N 0.90636333321107 0.65819872805349 0.12860543324026 14.007 > 10 45 N 0.09363666678893 0.65819872805349 0.37139456675975 14.007 > 11 46 N 0.59363666678893 0.65819872805349 0.37139456675975 14.007 > 11 47 N 0.34363666678893 0.84180127194651 0.87139456675975 14.007 > 12 48 N 0.84363666678893 0.84180127194651 0.87139456675975 14.007 > 12 *49 Ba 0.37620862027487 0.19850541176846 0.14170731624596 137.327 > 13 50 Ba 0.87620862027487 0.19850541176846 0.14170731624596 137.327 > 13 *51 Ba 0.37117295426202 0.38642526185113 0.42333146058238 137.327 > 14 52 Ba 0.87117295426202 0.38642526185113 0.42333146058238 137.327 > 14 53 Ba 0.12117295426202 0.11357473814887 0.92333146058238 137.327 > 15 54 Ba 0.62117295426202 0.11357473814887 0.92333146058238 137.327 > 15 55 Ba 0.37882704573798 0.11357473814887 0.57666853941762 137.327 > 16 56 Ba 0.87882704573798 0.11357473814887 0.57666853941762 137.327 > 16 57 Ba 0.37379137972513 0.30149458823154 0.85829268375404 137.327 > 17 58 Ba 0.87379137972513 0.30149458823154 0.85829268375404 137.327 > 17 59 Ba 0.12620862027487 0.30149458823154 0.64170731624596 137.327 > 18 60 Ba 0.62620862027487 0.30149458823154 0.64170731624596 137.327 > 18 61 Ba 0.12379137972513 0.19850541176846 0.35829268375404 137.327 > 19 62 Ba 0.62379137972513 0.19850541176846 0.35829268375404 137.327 > 19 63 Ba 0.12882704573798 0.38642526185113 0.07666853941762 137.327 > 20 64 Ba 0.62882704573798 0.38642526185113 0.07666853941762 137.327 > 20 65 Ba 0.12620862027487 0.69850541176846 0.14170731624596 137.327 > 13 66 Ba 0.62620862027487 0.69850541176846 0.14170731624596 137.327 > 13 67 Ba 0.12117295426202 0.88642526185113 0.42333146058238 137.327 > 14 68 Ba 0.62117295426202 0.88642526185113 0.42333146058238 137.327 > 14 69 Ba 0.37117295426202 0.61357473814887 0.92333146058238 137.327 > 15 70 Ba 0.87117295426202 0.61357473814887 0.92333146058238 137.327 > 15 71 Ba 0.12882704573798 0.61357473814887 0.57666853941762 137.327 > 16 72 Ba 0.62882704573798 0.61357473814887 0.57666853941762 137.327 > 16 73 Ba 0.12379137972513 0.80149458823154 0.85829268375404 137.327 > 17 74 Ba 0.62379137972513 0.80149458823154 0.85829268375404 137.327 > 17 75 Ba 0.37620862027487 0.80149458823154 0.64170731624596 137.327 > 18 76 Ba 0.87620862027487 0.80149458823154 0.64170731624596 137.327 > 18 77 Ba 0.37379137972513 0.69850541176846 0.35829268375404 137.327 > 19 78 Ba 0.87379137972513 0.69850541176846 0.35829268375404 137.327 > 19 79 Ba 0.37882704573798 0.88642526185113 0.07666853941762 137.327 > 20 80 Ba 0.87882704573798 0.88642526185113 0.07666853941762 137.327 > 20 *81 Ta 0.36955039105352 0.00301421951481 0.33363309224492 180.948 > 21 82 Ta 0.86955039105352 0.00301421951481 0.33363309224492 180.948 > 21 83 Ta 0.13044960894648 0.00301421951481 0.16636690775508 180.948 > 22 84 Ta 0.63044960894648 0.00301421951481 0.16636690775508 180.948 > 22 85 Ta 0.38044960894648 0.49698578048519 0.66636690775508 180.948 > 23 86 Ta 0.88044960894648 0.49698578048519 0.66636690775508 180.948 > 23 87 Ta 0.11955039105352 0.49698578048519 0.83363309224492 180.948 > 24 88 Ta 0.61955039105352 0.49698578048519 0.83363309224492 180.948 > 24 89 Ta 0.11955039105352 0.50301421951481 0.33363309224492 180.948 > 21 90 Ta 0.61955039105352 0.50301421951481 0.33363309224492 180.948 > 21 91 Ta 0.38044960894648 0.50301421951481 0.16636690775508 180.948 > 22 92 Ta 0.88044960894648 0.50301421951481 0.16636690775508 180.948 > 22 93 Ta 0.13044960894648 0.99698578048519 0.66636690775508 180.948 > 23 94 Ta 0.63044960894648 0.99698578048519 0.66636690775508 180.948 > 23 95 Ta 0.36955039105352 0.99698578048519 0.83363309224492 180.948 > 24 96 Ta 0.86955039105352 0.99698578048519 0.83363309224492 180.948 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5233035 0.0000000 -0.0770519 0.0000000 6.2256955 0.0000000 -0.0770518 0.0000000 6.5778977 -------------------------- Born effective charges -------------------------- 1 N -2.1837107 -0.1044286 -0.0867327 -0.1680260 -3.0608131 -1.0692546 -0.1876022 -1.0463231 -3.6868835 2 N -2.1837107 0.1044286 -0.0867327 0.1680260 -3.0608131 1.0692546 -0.1876022 1.0463231 -3.6868835 3 N -2.1837107 -0.1044286 -0.0867327 -0.1680260 -3.0608131 -1.0692546 -0.1876022 -1.0463231 -3.6868835 4 N -2.1837107 0.1044286 -0.0867327 0.1680260 -3.0608131 1.0692546 -0.1876022 1.0463231 -3.6868835 5 N -4.6607366 0.0000000 1.9887157 0.0000000 -1.0773220 0.0000000 1.9295874 0.0000000 -2.8501167 6 N -4.6607366 0.0000000 1.9887157 0.0000000 -1.0773220 0.0000000 1.9295874 0.0000000 -2.8501167 7 N -3.8042158 0.0000000 -1.7395010 0.0000000 -1.4863194 0.0000000 -1.3743085 0.0000000 -2.8426676 8 N -3.8042158 0.0000000 -1.7395010 0.0000000 -1.4863194 0.0000000 -1.3743085 0.0000000 -2.8426676 9 N -2.3057942 0.5056039 0.0447598 0.3434583 -3.8903099 -0.5618028 -0.0343208 -0.7589656 -2.3353495 10 N -2.3057942 -0.5056039 0.0447598 -0.3434583 -3.8903099 0.5618028 -0.0343208 0.7589656 -2.3353495 11 N -2.3057942 0.5056039 0.0447598 0.3434583 -3.8903099 -0.5618028 -0.0343208 -0.7589656 -2.3353495 12 N -2.3057942 -0.5056039 0.0447598 -0.3434583 -3.8903099 0.5618028 -0.0343208 0.7589656 -2.3353495 13 Ba 2.7187277 0.0468992 0.0527316 0.0921049 2.9811887 -0.2130419 0.0151464 -0.0128421 2.7616618 14 Ba 2.3244312 0.0285437 -0.0706491 0.0386606 2.4999613 0.2552984 0.0819729 0.2164529 2.8265372 15 Ba 2.3244312 -0.0285437 -0.0706491 -0.0386606 2.4999613 -0.2552984 0.0819729 -0.2164529 2.8265372 16 Ba 2.3244312 0.0285437 -0.0706491 0.0386606 2.4999613 0.2552984 0.0819729 0.2164529 2.8265372 17 Ba 2.7187277 0.0468992 0.0527316 0.0921049 2.9811887 -0.2130419 0.0151464 -0.0128421 2.7616618 18 Ba 2.7187277 -0.0468992 0.0527316 -0.0921049 2.9811887 0.2130419 0.0151464 0.0128421 2.7616618 19 Ba 2.7187277 -0.0468992 0.0527316 -0.0921049 2.9811887 0.2130419 0.0151464 0.0128421 2.7616618 20 Ba 2.3244312 -0.0285437 -0.0706491 -0.0386606 2.4999613 -0.2552984 0.0819729 -0.2164529 2.8265372 21 Ta 3.6788222 0.0274765 -0.0647169 -0.1294611 2.7517937 -0.5051424 -0.1528357 0.0833770 3.2804263 22 Ta 3.6788222 -0.0274765 -0.0647169 0.1294611 2.7517937 0.5051424 -0.1528357 -0.0833770 3.2804263 23 Ta 3.6788222 0.0274765 -0.0647169 -0.1294611 2.7517937 -0.5051424 -0.1528357 0.0833770 3.2804263 24 Ta 3.6788222 -0.0274765 -0.0647169 0.1294611 2.7517937 0.5051424 -0.1528357 -0.0833770 3.2804263 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 241 eigenvectors found. (2) Block: 584 / 584 (2) 76 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 61 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 61 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 17), data: (568, 27) @ (27, 17) |-- (68, 61), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 17), data: (568, 27) @ (27, 17) |-- (68, 61), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 17), data: (584, 30) @ (30, 17) |-- (84, 76), data: True |-- (250, 241), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.944 Solver_block: 200 / 720 - Time: 0.752 Solver_block: 300 / 720 - Time: 0.693 Solver_block: 400 / 720 - Time: 0.709 Solver_block: 500 / 720 - Time: 0.662 Solver_block: 600 / 720 - Time: 0.759 Solver_block: 700 / 720 - Time: 0.628 Solver_block: 720 / 720 - Time: 0.233 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.582 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 241 eigenvectors found. (2) Block: 584 / 584 (2) 76 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 61 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 61 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 17), data: (568, 27) @ (27, 17) |-- (68, 61), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 17), data: (568, 27) @ (27, 17) |-- (68, 61), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 17), data: (584, 30) @ (30, 17) |-- (84, 76), data: True |-- (250, 241), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:15:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:15:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.070932145027515 -5.905352150000000 0.000000000000000 b 3.070932145027515 5.905352150000000 0.000000000000000 c -0.300718095229945 0.000000000000000 13.220416567105882 Atomic positions (fractional): 1 N 0.68689592004806 0.86643298167384 0.95111069387784 14.007 2 N 0.13356701832616 0.31310407995194 0.54888930612216 14.007 3 N 0.31310407995194 0.13356701832616 0.04888930612216 14.007 4 N 0.86643298167384 0.68689592004806 0.45111069387784 14.007 5 N 0.99401271366229 0.00598728633771 0.75000000000000 14.007 6 N 0.00598728633771 0.99401271366229 0.25000000000000 14.007 7 N 0.43655072141808 0.56344927858192 0.75000000000000 14.007 8 N 0.56344927858192 0.43655072141808 0.25000000000000 14.007 9 N 0.47092539447562 0.15452793836865 0.62860543324025 14.007 10 N 0.15452793836865 0.47092539447562 0.12860543324026 14.007 11 N 0.52907460552438 0.84547206163135 0.37139456675975 14.007 12 N 0.84547206163135 0.52907460552438 0.87139456675975 14.007 13 Ba 0.55391182878128 0.95092265231820 0.14170731624596 137.327 14 Ba 0.35592064667290 0.12877117037516 0.42333146058238 137.327 15 Ba 0.12877117037516 0.35592064667290 0.92333146058238 137.327 16 Ba 0.64407935332710 0.87122882962484 0.57666853941762 137.327 17 Ba 0.44608817121872 0.04907734768180 0.85829268375404 137.327 18 Ba 0.95092265231820 0.55391182878128 0.64170731624596 137.327 19 Ba 0.04907734768180 0.44608817121872 0.35829268375404 137.327 20 Ba 0.87122882962484 0.64407935332710 0.07666853941762 137.327 21 Ta 0.73608656259223 0.74211500162185 0.33363309224492 180.948 22 Ta 0.25788499837815 0.26391343740777 0.16636690775508 180.948 23 Ta 0.26391343740777 0.25788499837815 0.66636690775508 180.948 24 Ta 0.74211500162185 0.73608656259223 0.83363309224492 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.283728580110061 0.000000000000000 0.000000000000000 b 0.000000000000000 11.810704299999999 0.000000000000000 c -0.300718095229945 0.000000000000000 13.220416567105882 Atomic positions (fractional): 1 N 0.38833222543047 0.08976853081289 0.95111069387784 14.007 > 1 2 N 0.88833222543047 0.08976853081289 0.95111069387784 14.007 > 1 3 N 0.11166777456953 0.08976853081289 0.54888930612216 14.007 > 3 4 N 0.61166777456953 0.08976853081289 0.54888930612216 14.007 > 3 5 N 0.36166777456953 0.41023146918711 0.04888930612216 14.007 > 5 6 N 0.86166777456953 0.41023146918711 0.04888930612216 14.007 > 5 7 N 0.13833222543047 0.41023146918711 0.45111069387784 14.007 > 7 8 N 0.63833222543047 0.41023146918711 0.45111069387784 14.007 > 7 9 N 0.00000000000000 0.00598728633771 0.75000000000000 14.007 > 9 10 N 0.50000000000000 0.00598728633771 0.75000000000000 14.007 > 9 11 N 0.25000000000000 0.49401271366229 0.25000000000000 14.007 > 11 12 N 0.75000000000000 0.49401271366229 0.25000000000000 14.007 > 11 13 N 0.25000000000000 0.06344927858192 0.75000000000000 14.007 > 13 14 N 0.75000000000000 0.06344927858192 0.75000000000000 14.007 > 13 15 N 0.00000000000000 0.43655072141808 0.25000000000000 14.007 > 15 16 N 0.50000000000000 0.43655072141808 0.25000000000000 14.007 > 15 17 N 0.40636333321107 0.34180127194651 0.62860543324025 14.007 > 17 18 N 0.90636333321107 0.34180127194651 0.62860543324025 14.007 > 17 19 N 0.15636333321107 0.15819872805349 0.12860543324026 14.007 > 19 20 N 0.65636333321107 0.15819872805349 0.12860543324026 14.007 > 19 21 N 0.34363666678893 0.15819872805349 0.37139456675975 14.007 > 21 22 N 0.84363666678893 0.15819872805349 0.37139456675975 14.007 > 21 23 N 0.09363666678893 0.34180127194651 0.87139456675975 14.007 > 23 24 N 0.59363666678893 0.34180127194651 0.87139456675975 14.007 > 23 25 N 0.13833222543047 0.58976853081289 0.95111069387784 14.007 > 1 26 N 0.63833222543047 0.58976853081289 0.95111069387784 14.007 > 1 27 N 0.36166777456953 0.58976853081289 0.54888930612216 14.007 > 3 28 N 0.86166777456953 0.58976853081289 0.54888930612216 14.007 > 3 29 N 0.11166777456953 0.91023146918711 0.04888930612216 14.007 > 5 30 N 0.61166777456953 0.91023146918711 0.04888930612216 14.007 > 5 31 N 0.38833222543047 0.91023146918711 0.45111069387784 14.007 > 7 32 N 0.88833222543047 0.91023146918711 0.45111069387784 14.007 > 7 33 N 0.25000000000000 0.50598728633771 0.75000000000000 14.007 > 9 34 N 0.75000000000000 0.50598728633771 0.75000000000000 14.007 > 9 35 N 0.00000000000000 0.99401271366229 0.25000000000000 14.007 > 11 36 N 0.50000000000000 0.99401271366229 0.25000000000000 14.007 > 11 37 N 0.00000000000000 0.56344927858192 0.75000000000000 14.007 > 13 38 N 0.50000000000000 0.56344927858192 0.75000000000000 14.007 > 13 39 N 0.25000000000000 0.93655072141808 0.25000000000000 14.007 > 15 40 N 0.75000000000000 0.93655072141808 0.25000000000000 14.007 > 15 41 N 0.15636333321107 0.84180127194651 0.62860543324025 14.007 > 17 42 N 0.65636333321107 0.84180127194651 0.62860543324025 14.007 > 17 43 N 0.40636333321107 0.65819872805349 0.12860543324026 14.007 > 19 44 N 0.90636333321107 0.65819872805349 0.12860543324026 14.007 > 19 45 N 0.09363666678893 0.65819872805349 0.37139456675975 14.007 > 21 46 N 0.59363666678893 0.65819872805349 0.37139456675975 14.007 > 21 47 N 0.34363666678893 0.84180127194651 0.87139456675975 14.007 > 23 48 N 0.84363666678893 0.84180127194651 0.87139456675975 14.007 > 23 49 Ba 0.37620862027487 0.19850541176846 0.14170731624596 137.327 > 49 50 Ba 0.87620862027487 0.19850541176846 0.14170731624596 137.327 > 49 51 Ba 0.37117295426202 0.38642526185113 0.42333146058238 137.327 > 51 52 Ba 0.87117295426202 0.38642526185113 0.42333146058238 137.327 > 51 53 Ba 0.12117295426202 0.11357473814887 0.92333146058238 137.327 > 53 54 Ba 0.62117295426202 0.11357473814887 0.92333146058238 137.327 > 53 55 Ba 0.37882704573798 0.11357473814887 0.57666853941762 137.327 > 55 56 Ba 0.87882704573798 0.11357473814887 0.57666853941762 137.327 > 55 57 Ba 0.37379137972513 0.30149458823154 0.85829268375404 137.327 > 57 58 Ba 0.87379137972513 0.30149458823154 0.85829268375404 137.327 > 57 59 Ba 0.12620862027487 0.30149458823154 0.64170731624596 137.327 > 59 60 Ba 0.62620862027487 0.30149458823154 0.64170731624596 137.327 > 59 61 Ba 0.12379137972513 0.19850541176846 0.35829268375404 137.327 > 61 62 Ba 0.62379137972513 0.19850541176846 0.35829268375404 137.327 > 61 63 Ba 0.12882704573798 0.38642526185113 0.07666853941762 137.327 > 63 64 Ba 0.62882704573798 0.38642526185113 0.07666853941762 137.327 > 63 65 Ba 0.12620862027487 0.69850541176846 0.14170731624596 137.327 > 49 66 Ba 0.62620862027487 0.69850541176846 0.14170731624596 137.327 > 49 67 Ba 0.12117295426202 0.88642526185113 0.42333146058238 137.327 > 51 68 Ba 0.62117295426202 0.88642526185113 0.42333146058238 137.327 > 51 69 Ba 0.37117295426202 0.61357473814887 0.92333146058238 137.327 > 53 70 Ba 0.87117295426202 0.61357473814887 0.92333146058238 137.327 > 53 71 Ba 0.12882704573798 0.61357473814887 0.57666853941762 137.327 > 55 72 Ba 0.62882704573798 0.61357473814887 0.57666853941762 137.327 > 55 73 Ba 0.12379137972513 0.80149458823154 0.85829268375404 137.327 > 57 74 Ba 0.62379137972513 0.80149458823154 0.85829268375404 137.327 > 57 75 Ba 0.37620862027487 0.80149458823154 0.64170731624596 137.327 > 59 76 Ba 0.87620862027487 0.80149458823154 0.64170731624596 137.327 > 59 77 Ba 0.37379137972513 0.69850541176846 0.35829268375404 137.327 > 61 78 Ba 0.87379137972513 0.69850541176846 0.35829268375404 137.327 > 61 79 Ba 0.37882704573798 0.88642526185113 0.07666853941762 137.327 > 63 80 Ba 0.87882704573798 0.88642526185113 0.07666853941762 137.327 > 63 81 Ta 0.36955039105352 0.00301421951481 0.33363309224492 180.948 > 81 82 Ta 0.86955039105352 0.00301421951481 0.33363309224492 180.948 > 81 83 Ta 0.13044960894648 0.00301421951481 0.16636690775508 180.948 > 83 84 Ta 0.63044960894648 0.00301421951481 0.16636690775508 180.948 > 83 85 Ta 0.38044960894648 0.49698578048519 0.66636690775508 180.948 > 85 86 Ta 0.88044960894648 0.49698578048519 0.66636690775508 180.948 > 85 87 Ta 0.11955039105352 0.49698578048519 0.83363309224492 180.948 > 87 88 Ta 0.61955039105352 0.49698578048519 0.83363309224492 180.948 > 87 89 Ta 0.11955039105352 0.50301421951481 0.33363309224492 180.948 > 81 90 Ta 0.61955039105352 0.50301421951481 0.33363309224492 180.948 > 81 91 Ta 0.38044960894648 0.50301421951481 0.16636690775508 180.948 > 83 92 Ta 0.88044960894648 0.50301421951481 0.16636690775508 180.948 > 83 93 Ta 0.13044960894648 0.99698578048519 0.66636690775508 180.948 > 85 94 Ta 0.63044960894648 0.99698578048519 0.66636690775508 180.948 > 85 95 Ta 0.36955039105352 0.99698578048519 0.83363309224492 180.948 > 87 96 Ta 0.86955039105352 0.99698578048519 0.83363309224492 180.948 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5233035 0.0000000 -0.0770519 0.0000000 6.2256955 0.0000000 -0.0770518 0.0000000 6.5778977 -------------------------- Born effective charges -------------------------- 1 N -2.1837107 -0.1044286 -0.0867327 -0.1680260 -3.0608131 -1.0692546 -0.1876022 -1.0463231 -3.6868835 2 N -2.1837107 0.1044286 -0.0867327 0.1680260 -3.0608131 1.0692546 -0.1876022 1.0463231 -3.6868835 3 N -2.1837107 -0.1044286 -0.0867327 -0.1680260 -3.0608131 -1.0692546 -0.1876022 -1.0463231 -3.6868835 4 N -2.1837107 0.1044286 -0.0867327 0.1680260 -3.0608131 1.0692546 -0.1876022 1.0463231 -3.6868835 5 N -4.6607366 0.0000000 1.9887157 0.0000000 -1.0773220 0.0000000 1.9295874 0.0000000 -2.8501167 6 N -4.6607366 0.0000000 1.9887157 0.0000000 -1.0773220 0.0000000 1.9295874 0.0000000 -2.8501167 7 N -3.8042158 0.0000000 -1.7395010 0.0000000 -1.4863194 0.0000000 -1.3743085 0.0000000 -2.8426676 8 N -3.8042158 0.0000000 -1.7395010 0.0000000 -1.4863194 0.0000000 -1.3743085 0.0000000 -2.8426676 9 N -2.3057942 0.5056039 0.0447598 0.3434583 -3.8903099 -0.5618028 -0.0343208 -0.7589656 -2.3353495 10 N -2.3057942 -0.5056039 0.0447598 -0.3434583 -3.8903099 0.5618028 -0.0343208 0.7589656 -2.3353495 11 N -2.3057942 0.5056039 0.0447598 0.3434583 -3.8903099 -0.5618028 -0.0343208 -0.7589656 -2.3353495 12 N -2.3057942 -0.5056039 0.0447598 -0.3434583 -3.8903099 0.5618028 -0.0343208 0.7589656 -2.3353495 13 Ba 2.7187277 0.0468992 0.0527316 0.0921049 2.9811887 -0.2130419 0.0151464 -0.0128421 2.7616618 14 Ba 2.3244312 0.0285437 -0.0706491 0.0386606 2.4999613 0.2552984 0.0819729 0.2164529 2.8265372 15 Ba 2.3244312 -0.0285437 -0.0706491 -0.0386606 2.4999613 -0.2552984 0.0819729 -0.2164529 2.8265372 16 Ba 2.3244312 0.0285437 -0.0706491 0.0386606 2.4999613 0.2552984 0.0819729 0.2164529 2.8265372 17 Ba 2.7187277 0.0468992 0.0527316 0.0921049 2.9811887 -0.2130419 0.0151464 -0.0128421 2.7616618 18 Ba 2.7187277 -0.0468992 0.0527316 -0.0921049 2.9811887 0.2130419 0.0151464 0.0128421 2.7616618 19 Ba 2.7187277 -0.0468992 0.0527316 -0.0921049 2.9811887 0.2130419 0.0151464 0.0128421 2.7616618 20 Ba 2.3244312 -0.0285437 -0.0706491 -0.0386606 2.4999613 -0.2552984 0.0819729 -0.2164529 2.8265372 21 Ta 3.6788222 0.0274765 -0.0647169 -0.1294611 2.7517937 -0.5051424 -0.1528357 0.0833770 3.2804263 22 Ta 3.6788222 -0.0274765 -0.0647169 0.1294611 2.7517937 0.5051424 -0.1528357 -0.0833770 3.2804263 23 Ta 3.6788222 0.0274765 -0.0647169 -0.1294611 2.7517937 -0.5051424 -0.1528357 0.0833770 3.2804263 24 Ta 3.6788222 -0.0274765 -0.0647169 0.1294611 2.7517937 0.5051424 -0.1528357 -0.0833770 3.2804263 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 13, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 51, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:16:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:16:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.070932145027515 -5.905352150000000 0.000000000000000 b 3.070932145027515 5.905352150000000 0.000000000000000 c -0.300718095229945 0.000000000000000 13.220416567105882 Atomic positions (fractional): 1 N 0.68689592004806 0.86643298167384 0.95111069387784 14.007 2 N 0.13356701832616 0.31310407995194 0.54888930612216 14.007 3 N 0.31310407995194 0.13356701832616 0.04888930612216 14.007 4 N 0.86643298167384 0.68689592004806 0.45111069387784 14.007 5 N 0.99401271366229 0.00598728633771 0.75000000000000 14.007 6 N 0.00598728633771 0.99401271366229 0.25000000000000 14.007 7 N 0.43655072141808 0.56344927858192 0.75000000000000 14.007 8 N 0.56344927858192 0.43655072141808 0.25000000000000 14.007 9 N 0.47092539447562 0.15452793836865 0.62860543324025 14.007 10 N 0.15452793836865 0.47092539447562 0.12860543324026 14.007 11 N 0.52907460552438 0.84547206163135 0.37139456675975 14.007 12 N 0.84547206163135 0.52907460552438 0.87139456675975 14.007 13 Ba 0.55391182878128 0.95092265231820 0.14170731624596 137.327 14 Ba 0.35592064667290 0.12877117037516 0.42333146058238 137.327 15 Ba 0.12877117037516 0.35592064667290 0.92333146058238 137.327 16 Ba 0.64407935332710 0.87122882962484 0.57666853941762 137.327 17 Ba 0.44608817121872 0.04907734768180 0.85829268375404 137.327 18 Ba 0.95092265231820 0.55391182878128 0.64170731624596 137.327 19 Ba 0.04907734768180 0.44608817121872 0.35829268375404 137.327 20 Ba 0.87122882962484 0.64407935332710 0.07666853941762 137.327 21 Ta 0.73608656259223 0.74211500162185 0.33363309224492 180.948 22 Ta 0.25788499837815 0.26391343740777 0.16636690775508 180.948 23 Ta 0.26391343740777 0.25788499837815 0.66636690775508 180.948 24 Ta 0.74211500162185 0.73608656259223 0.83363309224492 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.283728580110061 0.000000000000000 0.000000000000000 b 0.000000000000000 11.810704299999999 0.000000000000000 c -0.300718095229945 0.000000000000000 13.220416567105882 Atomic positions (fractional): 1 N 0.38833222543047 0.08976853081289 0.95111069387784 14.007 > 1 2 N 0.88833222543047 0.08976853081289 0.95111069387784 14.007 > 1 3 N 0.11166777456953 0.08976853081289 0.54888930612216 14.007 > 3 4 N 0.61166777456953 0.08976853081289 0.54888930612216 14.007 > 3 5 N 0.36166777456953 0.41023146918711 0.04888930612216 14.007 > 5 6 N 0.86166777456953 0.41023146918711 0.04888930612216 14.007 > 5 7 N 0.13833222543047 0.41023146918711 0.45111069387784 14.007 > 7 8 N 0.63833222543047 0.41023146918711 0.45111069387784 14.007 > 7 9 N 0.00000000000000 0.00598728633771 0.75000000000000 14.007 > 9 10 N 0.50000000000000 0.00598728633771 0.75000000000000 14.007 > 9 11 N 0.25000000000000 0.49401271366229 0.25000000000000 14.007 > 11 12 N 0.75000000000000 0.49401271366229 0.25000000000000 14.007 > 11 13 N 0.25000000000000 0.06344927858192 0.75000000000000 14.007 > 13 14 N 0.75000000000000 0.06344927858192 0.75000000000000 14.007 > 13 15 N 0.00000000000000 0.43655072141808 0.25000000000000 14.007 > 15 16 N 0.50000000000000 0.43655072141808 0.25000000000000 14.007 > 15 17 N 0.40636333321107 0.34180127194651 0.62860543324025 14.007 > 17 18 N 0.90636333321107 0.34180127194651 0.62860543324025 14.007 > 17 19 N 0.15636333321107 0.15819872805349 0.12860543324026 14.007 > 19 20 N 0.65636333321107 0.15819872805349 0.12860543324026 14.007 > 19 21 N 0.34363666678893 0.15819872805349 0.37139456675975 14.007 > 21 22 N 0.84363666678893 0.15819872805349 0.37139456675975 14.007 > 21 23 N 0.09363666678893 0.34180127194651 0.87139456675975 14.007 > 23 24 N 0.59363666678893 0.34180127194651 0.87139456675975 14.007 > 23 25 N 0.13833222543047 0.58976853081289 0.95111069387784 14.007 > 1 26 N 0.63833222543047 0.58976853081289 0.95111069387784 14.007 > 1 27 N 0.36166777456953 0.58976853081289 0.54888930612216 14.007 > 3 28 N 0.86166777456953 0.58976853081289 0.54888930612216 14.007 > 3 29 N 0.11166777456953 0.91023146918711 0.04888930612216 14.007 > 5 30 N 0.61166777456953 0.91023146918711 0.04888930612216 14.007 > 5 31 N 0.38833222543047 0.91023146918711 0.45111069387784 14.007 > 7 32 N 0.88833222543047 0.91023146918711 0.45111069387784 14.007 > 7 33 N 0.25000000000000 0.50598728633771 0.75000000000000 14.007 > 9 34 N 0.75000000000000 0.50598728633771 0.75000000000000 14.007 > 9 35 N 0.00000000000000 0.99401271366229 0.25000000000000 14.007 > 11 36 N 0.50000000000000 0.99401271366229 0.25000000000000 14.007 > 11 37 N 0.00000000000000 0.56344927858192 0.75000000000000 14.007 > 13 38 N 0.50000000000000 0.56344927858192 0.75000000000000 14.007 > 13 39 N 0.25000000000000 0.93655072141808 0.25000000000000 14.007 > 15 40 N 0.75000000000000 0.93655072141808 0.25000000000000 14.007 > 15 41 N 0.15636333321107 0.84180127194651 0.62860543324025 14.007 > 17 42 N 0.65636333321107 0.84180127194651 0.62860543324025 14.007 > 17 43 N 0.40636333321107 0.65819872805349 0.12860543324026 14.007 > 19 44 N 0.90636333321107 0.65819872805349 0.12860543324026 14.007 > 19 45 N 0.09363666678893 0.65819872805349 0.37139456675975 14.007 > 21 46 N 0.59363666678893 0.65819872805349 0.37139456675975 14.007 > 21 47 N 0.34363666678893 0.84180127194651 0.87139456675975 14.007 > 23 48 N 0.84363666678893 0.84180127194651 0.87139456675975 14.007 > 23 49 Ba 0.37620862027487 0.19850541176846 0.14170731624596 137.327 > 49 50 Ba 0.87620862027487 0.19850541176846 0.14170731624596 137.327 > 49 51 Ba 0.37117295426202 0.38642526185113 0.42333146058238 137.327 > 51 52 Ba 0.87117295426202 0.38642526185113 0.42333146058238 137.327 > 51 53 Ba 0.12117295426202 0.11357473814887 0.92333146058238 137.327 > 53 54 Ba 0.62117295426202 0.11357473814887 0.92333146058238 137.327 > 53 55 Ba 0.37882704573798 0.11357473814887 0.57666853941762 137.327 > 55 56 Ba 0.87882704573798 0.11357473814887 0.57666853941762 137.327 > 55 57 Ba 0.37379137972513 0.30149458823154 0.85829268375404 137.327 > 57 58 Ba 0.87379137972513 0.30149458823154 0.85829268375404 137.327 > 57 59 Ba 0.12620862027487 0.30149458823154 0.64170731624596 137.327 > 59 60 Ba 0.62620862027487 0.30149458823154 0.64170731624596 137.327 > 59 61 Ba 0.12379137972513 0.19850541176846 0.35829268375404 137.327 > 61 62 Ba 0.62379137972513 0.19850541176846 0.35829268375404 137.327 > 61 63 Ba 0.12882704573798 0.38642526185113 0.07666853941762 137.327 > 63 64 Ba 0.62882704573798 0.38642526185113 0.07666853941762 137.327 > 63 65 Ba 0.12620862027487 0.69850541176846 0.14170731624596 137.327 > 49 66 Ba 0.62620862027487 0.69850541176846 0.14170731624596 137.327 > 49 67 Ba 0.12117295426202 0.88642526185113 0.42333146058238 137.327 > 51 68 Ba 0.62117295426202 0.88642526185113 0.42333146058238 137.327 > 51 69 Ba 0.37117295426202 0.61357473814887 0.92333146058238 137.327 > 53 70 Ba 0.87117295426202 0.61357473814887 0.92333146058238 137.327 > 53 71 Ba 0.12882704573798 0.61357473814887 0.57666853941762 137.327 > 55 72 Ba 0.62882704573798 0.61357473814887 0.57666853941762 137.327 > 55 73 Ba 0.12379137972513 0.80149458823154 0.85829268375404 137.327 > 57 74 Ba 0.62379137972513 0.80149458823154 0.85829268375404 137.327 > 57 75 Ba 0.37620862027487 0.80149458823154 0.64170731624596 137.327 > 59 76 Ba 0.87620862027487 0.80149458823154 0.64170731624596 137.327 > 59 77 Ba 0.37379137972513 0.69850541176846 0.35829268375404 137.327 > 61 78 Ba 0.87379137972513 0.69850541176846 0.35829268375404 137.327 > 61 79 Ba 0.37882704573798 0.88642526185113 0.07666853941762 137.327 > 63 80 Ba 0.87882704573798 0.88642526185113 0.07666853941762 137.327 > 63 81 Ta 0.36955039105352 0.00301421951481 0.33363309224492 180.948 > 81 82 Ta 0.86955039105352 0.00301421951481 0.33363309224492 180.948 > 81 83 Ta 0.13044960894648 0.00301421951481 0.16636690775508 180.948 > 83 84 Ta 0.63044960894648 0.00301421951481 0.16636690775508 180.948 > 83 85 Ta 0.38044960894648 0.49698578048519 0.66636690775508 180.948 > 85 86 Ta 0.88044960894648 0.49698578048519 0.66636690775508 180.948 > 85 87 Ta 0.11955039105352 0.49698578048519 0.83363309224492 180.948 > 87 88 Ta 0.61955039105352 0.49698578048519 0.83363309224492 180.948 > 87 89 Ta 0.11955039105352 0.50301421951481 0.33363309224492 180.948 > 81 90 Ta 0.61955039105352 0.50301421951481 0.33363309224492 180.948 > 81 91 Ta 0.38044960894648 0.50301421951481 0.16636690775508 180.948 > 83 92 Ta 0.88044960894648 0.50301421951481 0.16636690775508 180.948 > 83 93 Ta 0.13044960894648 0.99698578048519 0.66636690775508 180.948 > 85 94 Ta 0.63044960894648 0.99698578048519 0.66636690775508 180.948 > 85 95 Ta 0.36955039105352 0.99698578048519 0.83363309224492 180.948 > 87 96 Ta 0.86955039105352 0.99698578048519 0.83363309224492 180.948 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5233035 0.0000000 -0.0770519 0.0000000 6.2256955 0.0000000 -0.0770518 0.0000000 6.5778977 -------------------------- Born effective charges -------------------------- 1 N -2.1837107 -0.1044286 -0.0867327 -0.1680260 -3.0608131 -1.0692546 -0.1876022 -1.0463231 -3.6868835 2 N -2.1837107 0.1044286 -0.0867327 0.1680260 -3.0608131 1.0692546 -0.1876022 1.0463231 -3.6868835 3 N -2.1837107 -0.1044286 -0.0867327 -0.1680260 -3.0608131 -1.0692546 -0.1876022 -1.0463231 -3.6868835 4 N -2.1837107 0.1044286 -0.0867327 0.1680260 -3.0608131 1.0692546 -0.1876022 1.0463231 -3.6868835 5 N -4.6607366 0.0000000 1.9887157 0.0000000 -1.0773220 0.0000000 1.9295874 0.0000000 -2.8501167 6 N -4.6607366 0.0000000 1.9887157 0.0000000 -1.0773220 0.0000000 1.9295874 0.0000000 -2.8501167 7 N -3.8042158 0.0000000 -1.7395010 0.0000000 -1.4863194 0.0000000 -1.3743085 0.0000000 -2.8426676 8 N -3.8042158 0.0000000 -1.7395010 0.0000000 -1.4863194 0.0000000 -1.3743085 0.0000000 -2.8426676 9 N -2.3057942 0.5056039 0.0447598 0.3434583 -3.8903099 -0.5618028 -0.0343208 -0.7589656 -2.3353495 10 N -2.3057942 -0.5056039 0.0447598 -0.3434583 -3.8903099 0.5618028 -0.0343208 0.7589656 -2.3353495 11 N -2.3057942 0.5056039 0.0447598 0.3434583 -3.8903099 -0.5618028 -0.0343208 -0.7589656 -2.3353495 12 N -2.3057942 -0.5056039 0.0447598 -0.3434583 -3.8903099 0.5618028 -0.0343208 0.7589656 -2.3353495 13 Ba 2.7187277 0.0468992 0.0527316 0.0921049 2.9811887 -0.2130419 0.0151464 -0.0128421 2.7616618 14 Ba 2.3244312 0.0285437 -0.0706491 0.0386606 2.4999613 0.2552984 0.0819729 0.2164529 2.8265372 15 Ba 2.3244312 -0.0285437 -0.0706491 -0.0386606 2.4999613 -0.2552984 0.0819729 -0.2164529 2.8265372 16 Ba 2.3244312 0.0285437 -0.0706491 0.0386606 2.4999613 0.2552984 0.0819729 0.2164529 2.8265372 17 Ba 2.7187277 0.0468992 0.0527316 0.0921049 2.9811887 -0.2130419 0.0151464 -0.0128421 2.7616618 18 Ba 2.7187277 -0.0468992 0.0527316 -0.0921049 2.9811887 0.2130419 0.0151464 0.0128421 2.7616618 19 Ba 2.7187277 -0.0468992 0.0527316 -0.0921049 2.9811887 0.2130419 0.0151464 0.0128421 2.7616618 20 Ba 2.3244312 -0.0285437 -0.0706491 -0.0386606 2.4999613 -0.2552984 0.0819729 -0.2164529 2.8265372 21 Ta 3.6788222 0.0274765 -0.0647169 -0.1294611 2.7517937 -0.5051424 -0.1528357 0.0833770 3.2804263 22 Ta 3.6788222 -0.0274765 -0.0647169 0.1294611 2.7517937 0.5051424 -0.1528357 -0.0833770 3.2804263 23 Ta 3.6788222 0.0274765 -0.0647169 -0.1294611 2.7517937 -0.5051424 -0.1528357 0.0833770 3.2804263 24 Ta 3.6788222 -0.0274765 -0.0647169 0.1294611 2.7517937 0.5051424 -0.1528357 -0.0833770 3.2804263 ---------------------------------------------------------------------------- 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 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 307, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/95) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.211 ( 0.000 0.000 0.000) 0.000 1.540 ( 0.000 0.000 0.000) 0.000 1.596 ( 0.000 0.000 0.000) 0.000 1.612 ( 0.000 0.000 0.000) 0.000 1.780 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.152 ( 0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.212 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.384 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.365 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 5.061 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.828 ( 0.000 0.000 0.000) 0.000 6.027 ( 0.000 0.000 0.000) 0.000 7.233 ( 0.000 0.000 0.000) 0.000 7.323 ( 0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 0.000) 0.000 7.728 ( 0.000 0.000 0.000) 0.000 7.812 ( 0.000 0.000 0.000) 0.000 7.992 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 8.777 ( 0.000 0.000 0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.347 ( 0.000 0.000 0.000) 0.000 9.445 ( 0.000 0.000 0.000) 0.000 9.782 ( 0.000 0.000 0.000) 0.000 9.828 ( 0.000 0.000 0.000) 0.000 10.090 ( 0.000 0.000 0.000) 0.000 10.846 ( 0.000 0.000 0.000) 0.000 10.853 ( 0.000 0.000 0.000) 0.000 11.073 ( 0.000 0.000 0.000) 0.000 11.599 ( 0.000 0.000 0.000) 0.000 13.233 ( 0.000 0.000 0.000) 0.000 13.353 ( 0.000 0.000 0.000) 0.000 19.600 ( 0.000 0.000 0.000) 0.000 19.786 ( 0.000 0.000 0.000) 0.000 19.944 ( 0.000 0.000 0.000) 0.000 20.408 ( 0.000 0.000 0.000) 0.000 20.589 ( 0.000 0.000 0.000) 0.000 22.114 ( 0.000 0.000 0.000) 0.000 22.399 ( 0.000 0.000 0.000) 0.000 22.563 ( 0.000 0.000 0.000) 0.000 23.494 ( 0.000 0.000 0.000) 0.000 23.727 ( 0.000 0.000 0.000) 0.000 27.978 ( 0.000 0.000 0.000) 0.000 28.162 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/95) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 17.558 -12.820 4.324) 22.167 0.456 ( 17.411 -14.989 -3.281) 23.207 0.809 ( 36.240 -10.999 -4.912) 38.189 1.437 ( 18.760 -0.669 3.874) 19.167 1.549 ( -3.252 -1.714 -1.708) 4.054 1.575 ( -1.778 -5.701 -1.889) 6.263 1.670 ( 5.254 -3.603 4.119) 7.586 1.813 ( 2.567 -4.100 -4.549) 6.640 2.093 ( 0.268 4.989 -0.058) 4.997 2.145 ( 3.412 4.685 -1.677) 6.033 2.211 ( -0.791 -2.411 0.819) 2.667 2.310 ( 0.031 -5.506 -2.107) 5.895 2.354 ( -2.263 -1.801 0.523) 2.939 2.612 ( -6.557 3.718 0.971) 7.600 2.711 ( -5.797 1.720 2.151) 6.418 2.911 ( -0.870 3.756 0.918) 3.963 2.955 ( -5.851 1.469 2.850) 6.672 3.032 ( 0.723 -2.457 -3.302) 4.179 3.102 ( -7.345 -0.216 -1.700) 7.542 3.131 ( -2.395 2.279 2.114) 3.924 3.283 ( -5.575 1.561 2.597) 6.345 3.321 ( 0.248 8.907 1.939) 9.119 3.380 ( 3.311 4.016 -2.323) 5.700 3.507 ( -1.442 4.052 -4.022) 5.889 3.606 ( 4.286 -1.465 -1.512) 4.775 3.687 ( 7.542 3.379 1.374) 8.378 3.919 ( -4.048 -8.469 1.105) 9.452 4.007 ( -10.564 2.278 2.982) 11.210 4.044 ( 2.932 -1.491 -2.791) 4.314 4.077 ( -0.067 -1.685 10.501) 10.635 4.197 ( -5.980 1.252 -1.391) 6.266 4.336 ( -1.161 -1.666 -19.373) 19.479 4.391 ( 8.530 -1.239 3.393) 9.263 4.678 ( 15.826 1.394 -5.088) 16.683 5.087 ( 2.549 0.870 -6.117) 6.684 5.457 ( 18.448 11.048 15.748) 26.653 5.604 ( -0.130 -2.035 8.369) 8.614 5.659 ( 13.855 0.238 3.688) 14.340 6.014 ( 12.928 2.497 -2.986) 13.501 6.088 ( 6.829 -2.935 0.388) 7.443 7.155 ( -7.737 -8.728 -2.461) 11.920 7.544 ( 14.036 6.336 -3.203) 15.729 7.664 ( 3.960 -1.678 -1.496) 4.554 7.728 ( 0.408 5.043 2.251) 5.538 7.803 ( -1.629 -5.570 -1.190) 5.925 7.987 ( -3.515 1.532 4.650) 6.027 8.677 ( -9.438 -1.215 -1.660) 9.659 8.978 ( -3.395 -1.731 20.280) 20.635 9.384 ( 1.805 2.349 -0.804) 3.069 9.439 ( 1.635 -0.001 6.947) 7.137 9.687 ( 19.008 24.999 -17.172) 35.793 9.855 ( 7.224 7.680 -12.784) 16.571 9.935 ( 12.552 6.226 -2.199) 14.183 10.205 ( 8.005 -5.226 4.007) 10.365 10.805 ( -4.406 1.343 8.125) 9.340 10.880 ( 3.956 0.567 1.964) 4.453 11.139 ( 0.502 -2.937 -9.710) 10.157 11.599 ( 0.541 1.837 3.252) 3.774 13.244 ( 0.832 -0.781 -1.340) 1.760 13.434 ( -2.812 -8.860 0.860) 9.336 19.625 ( 1.485 -2.131 -1.745) 3.129 19.806 ( 1.228 -1.823 1.019) 2.423 19.946 ( -1.325 -0.915 0.900) 1.845 20.548 ( -9.522 -15.320 -18.336) 25.721 20.704 ( -16.215 -29.687 34.735) 48.485 21.905 ( -20.419 0.469 -9.110) 22.364 22.320 ( -16.598 3.811 6.063) 18.077 23.143 ( -21.636 13.275 -4.543) 25.788 24.168 ( 37.595 -0.200 0.612) 37.601 24.566 ( 39.662 21.935 -5.189) 45.619 28.043 ( -1.254 4.972 -12.260) 13.289 28.099 ( -6.624 0.053 1.729) 6.846 ======================= Grid point 2 (3/95) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 15.078 -12.533 3.774) 19.966 0.903 ( 17.190 -12.919 -1.076) 21.531 1.333 ( 6.266 0.190 -6.843) 9.281 1.544 ( -2.338 -4.712 0.146) 5.263 1.574 ( 8.457 -6.801 -1.665) 10.980 1.788 ( 9.402 -4.479 0.355) 10.421 1.859 ( 9.453 -8.132 8.492) 15.087 1.933 ( 4.136 -3.036 -2.235) 5.596 2.076 ( 5.119 3.516 -0.535) 6.233 2.165 ( 2.951 3.903 -1.087) 5.012 2.271 ( -2.365 -1.394 -3.134) 4.167 2.321 ( 8.090 -2.460 0.497) 8.470 2.375 ( 0.880 -0.178 1.134) 1.446 2.459 ( -3.855 4.366 -0.073) 5.825 2.646 ( -1.083 -4.225 -1.819) 4.726 2.745 ( -14.010 0.749 -1.016) 14.067 2.844 ( -1.106 2.676 2.651) 3.926 3.007 ( -4.311 -1.415 1.998) 4.958 3.031 ( -4.845 4.092 2.101) 6.681 3.078 ( -3.047 -0.568 2.474) 3.966 3.160 ( -1.673 2.006 -0.707) 2.706 3.202 ( -4.084 7.168 2.455) 8.608 3.383 ( 2.110 5.758 -4.709) 7.732 3.476 ( -0.983 -0.364 -0.999) 1.448 3.714 ( 2.640 -0.374 1.301) 2.967 3.770 ( 4.956 -0.425 -4.768) 6.890 3.829 ( -4.726 3.721 0.625) 6.047 3.920 ( 0.336 -0.882 0.759) 1.211 4.085 ( -3.325 -0.982 0.333) 3.483 4.106 ( 2.213 0.777 1.012) 2.555 4.111 ( -0.057 -1.513 3.034) 3.391 4.295 ( -3.893 -3.191 -5.666) 7.579 4.556 ( 6.315 0.407 2.669) 6.868 4.869 ( 7.170 2.737 -3.973) 8.642 5.213 ( 11.319 1.163 -7.496) 13.625 5.567 ( 3.070 2.100 7.757) 8.603 5.817 ( 20.170 4.795 4.388) 21.192 5.972 ( 16.630 0.345 5.039) 17.380 6.195 ( 14.880 2.972 -2.881) 15.445 6.316 ( 13.249 -1.387 -0.489) 13.330 7.203 ( 6.130 -3.707 0.536) 7.183 7.595 ( -1.954 4.276 -5.053) 6.902 7.628 ( -2.698 2.823 5.884) 7.062 7.767 ( 5.211 2.692 -0.967) 5.944 7.852 ( 1.867 2.358 2.542) 3.938 8.049 ( 7.719 -5.403 -3.715) 10.128 8.532 ( -6.728 -3.143 -5.760) 9.398 8.874 ( -12.476 -3.700 9.014) 15.830 9.376 ( 1.441 3.718 -2.473) 4.692 9.505 ( 2.913 -4.182 7.943) 9.438 9.826 ( 12.161 5.594 -6.182) 14.745 9.945 ( 10.926 9.123 -12.119) 18.694 10.084 ( 10.359 8.578 2.518) 13.683 10.433 ( 8.220 -8.889 0.392) 12.114 10.701 ( -4.002 2.622 12.726) 13.596 10.967 ( 5.433 0.554 2.648) 6.069 11.196 ( 5.713 2.177 -12.213) 13.658 11.597 ( 1.866 3.167 3.246) 4.904 13.273 ( 1.299 -1.293 -1.942) 2.670 13.478 ( 1.434 -2.766 1.376) 3.406 19.683 ( 2.438 -2.310 -2.738) 4.333 19.862 ( 2.095 -3.181 1.481) 4.087 19.928 ( -2.585 -2.892 1.697) 4.233 20.486 ( -10.387 -11.806 -8.495) 17.873 20.737 ( -2.593 -11.732 18.069) 21.699 21.507 ( -21.102 -2.135 -10.945) 23.867 21.983 ( -15.149 7.414 6.872) 18.212 22.605 ( -23.119 12.276 -4.109) 26.497 24.865 ( 37.674 1.862 0.265) 37.721 25.089 ( 32.128 7.386 -1.009) 32.981 27.924 ( -8.610 1.707 -0.381) 8.785 27.950 ( -8.093 0.795 -2.164) 8.415 ======================= Grid point 3 (4/95) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 3.000 -3.136 2.096) 4.820 1.271 ( 10.399 -9.689 -0.803) 14.236 1.423 ( 10.726 -5.611 -2.433) 12.347 1.517 ( -2.356 -1.451 -0.685) 2.851 1.680 ( -0.692 -0.744 1.274) 1.630 1.879 ( -0.497 -4.183 0.672) 4.265 2.032 ( 4.037 -0.987 -1.726) 4.500 2.048 ( -3.040 -0.605 -0.200) 3.106 2.156 ( 3.244 -2.350 0.473) 4.034 2.217 ( 3.885 -0.473 1.308) 4.127 2.268 ( 5.485 -1.148 -0.406) 5.618 2.369 ( -0.089 4.055 6.224) 7.429 2.471 ( 4.401 -1.892 -0.514) 4.818 2.494 ( -1.524 1.024 -1.900) 2.642 2.533 ( 0.890 -3.434 -4.559) 5.776 2.726 ( 2.186 -2.477 -2.186) 3.962 2.842 ( -0.079 3.617 -0.931) 3.736 2.877 ( -4.993 3.307 2.056) 6.332 2.942 ( -1.353 -1.664 -1.710) 2.743 2.999 ( -3.211 -1.940 3.047) 4.833 3.094 ( -2.077 1.508 3.405) 4.264 3.186 ( 2.582 1.531 -1.609) 3.406 3.372 ( 1.825 2.219 -4.233) 5.116 3.427 ( -4.304 0.299 5.594) 7.064 3.647 ( -4.256 3.201 1.577) 5.554 3.755 ( -0.486 3.126 -1.403) 3.461 3.935 ( 7.046 -1.750 -6.746) 9.910 3.948 ( 2.663 1.527 2.303) 3.838 4.045 ( -0.151 -1.419 -0.114) 1.432 4.100 ( -0.489 1.362 2.659) 3.028 4.165 ( 1.575 -1.636 -0.079) 2.272 4.271 ( -1.537 -2.768 -0.575) 3.218 4.614 ( 1.264 0.405 1.657) 2.124 4.899 ( 0.544 3.078 -3.305) 4.549 5.385 ( 8.290 2.057 -4.574) 9.689 5.615 ( 4.027 2.821 4.208) 6.472 6.037 ( 8.084 3.450 -4.441) 9.848 6.141 ( 2.871 0.991 9.133) 9.625 6.576 ( 25.693 1.265 -1.816) 25.788 6.652 ( 23.512 -1.899 -1.988) 23.672 7.363 ( 6.754 0.586 3.843) 7.793 7.494 ( -2.716 1.982 2.682) 4.301 7.598 ( -0.875 0.062 -3.122) 3.243 7.817 ( 2.289 1.386 -0.967) 2.845 7.861 ( 1.815 1.225 3.441) 4.079 8.155 ( 0.055 -2.045 -2.244) 3.037 8.521 ( -4.517 -1.721 -1.888) 5.190 8.625 ( -12.279 -3.321 0.906) 12.752 9.370 ( 2.376 3.694 -6.003) 7.439 9.616 ( 2.317 -6.717 7.263) 10.160 9.965 ( 2.048 -2.870 -3.950) 5.295 10.045 ( 11.133 11.237 -4.606) 16.475 10.164 ( 8.884 7.503 -1.222) 11.692 10.531 ( -2.320 -0.284 5.600) 6.069 10.751 ( 7.359 -4.924 7.071) 11.331 11.045 ( 3.071 0.096 2.433) 3.919 11.279 ( 6.249 3.233 -9.792) 12.058 11.612 ( 3.095 3.514 2.183) 5.167 13.309 ( 1.193 -1.302 -1.622) 2.398 13.530 ( 2.238 -0.649 1.247) 2.643 19.747 ( 2.980 -0.874 -2.542) 4.014 19.909 ( -2.406 -3.176 1.472) 4.248 19.931 ( 1.368 -3.393 1.723) 4.044 20.409 ( -7.110 -6.896 -3.834) 10.622 20.843 ( 2.275 -9.090 11.437) 14.785 21.220 ( -12.671 -4.087 -10.238) 16.795 21.661 ( -11.868 7.738 6.305) 15.507 22.100 ( -19.694 11.285 -3.898) 23.030 25.447 ( 27.985 2.308 0.056) 28.080 25.553 ( 23.708 3.228 -0.305) 23.928 27.730 ( -10.750 0.133 1.687) 10.882 27.792 ( -8.138 1.209 -2.160) 8.506 ======================= Grid point 4 (5/95) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -0.377 0.227 0.067) 0.445 1.450 ( 1.926 -1.911 -0.081) 2.715 1.503 ( 0.253 -2.833 -4.065) 4.962 1.568 ( 0.267 2.166 6.231) 6.603 1.806 ( 11.155 -5.721 -1.932) 12.685 1.931 ( -2.148 -5.319 -4.528) 7.308 1.983 ( 0.287 -2.259 1.311) 2.628 2.041 ( -2.135 2.885 2.746) 4.519 2.148 ( -3.258 3.414 -1.053) 4.835 2.248 ( 2.136 0.910 0.939) 2.505 2.313 ( -1.378 3.698 1.268) 4.145 2.393 ( 1.933 -4.123 5.880) 7.437 2.426 ( -0.043 -0.397 -5.609) 5.623 2.540 ( 2.403 0.664 2.594) 3.598 2.613 ( -2.620 -3.627 -1.616) 4.758 2.672 ( -4.125 5.612 1.053) 7.044 2.773 ( 1.555 -1.181 -5.295) 5.643 2.848 ( -0.514 0.244 0.671) 0.880 3.009 ( 2.127 -1.629 -0.558) 2.737 3.039 ( 2.896 0.942 -1.611) 3.445 3.085 ( 1.990 -1.833 1.998) 3.363 3.176 ( -2.294 0.772 0.363) 2.448 3.377 ( 1.803 1.573 1.762) 2.971 3.411 ( -2.169 -4.360 -0.020) 4.870 3.552 ( -1.196 2.221 -0.322) 2.543 3.726 ( -0.026 3.333 1.144) 3.524 3.945 ( -0.596 -0.564 -1.591) 1.791 3.990 ( 1.171 2.230 1.687) 3.032 4.096 ( 0.687 -1.006 0.223) 1.239 4.145 ( 4.493 0.219 -2.894) 5.349 4.168 ( -1.054 -1.503 0.896) 2.043 4.280 ( -0.478 -1.112 0.910) 1.514 4.620 ( 0.019 0.084 0.443) 0.451 4.872 ( -0.265 1.490 -1.556) 2.171 5.464 ( 2.541 0.997 -1.520) 3.125 5.649 ( 1.542 1.222 1.080) 2.245 6.092 ( 1.794 1.810 -3.708) 4.500 6.145 ( -0.344 0.412 4.884) 4.914 6.960 ( 16.201 0.037 -2.061) 16.331 7.061 ( 11.413 -1.866 3.221) 12.005 7.410 ( -1.620 0.782 0.928) 2.024 7.460 ( 2.199 2.083 2.572) 3.973 7.605 ( 2.923 -0.690 -9.454) 9.920 7.834 ( 1.919 0.573 1.422) 2.456 7.916 ( 4.838 -0.274 2.843) 5.618 8.167 ( 0.288 -0.472 -1.713) 1.800 8.175 ( -22.939 -0.817 5.981) 23.720 8.650 ( 1.987 -0.575 -3.278) 3.876 9.392 ( 2.405 1.583 -3.689) 4.679 9.686 ( -0.794 -4.039 5.722) 7.049 9.959 ( -0.231 1.829 -8.363) 8.564 10.100 ( 1.904 1.843 5.968) 6.530 10.290 ( 7.957 2.982 -5.937) 10.366 10.487 ( -2.144 0.378 5.809) 6.203 10.902 ( 3.305 -2.990 2.121) 4.936 11.076 ( 0.608 0.213 1.194) 1.357 11.336 ( 2.604 1.584 -4.000) 5.029 11.634 ( 1.559 1.621 0.658) 2.343 13.334 ( 0.498 -0.572 -0.614) 0.976 13.564 ( 0.994 -0.034 0.502) 1.114 19.797 ( 1.985 0.319 -1.291) 2.389 19.895 ( -1.694 -1.954 1.137) 2.825 19.973 ( 0.510 -1.347 0.482) 1.519 20.366 ( -2.268 -2.218 -1.021) 3.333 20.933 ( -0.804 -3.327 2.205) 4.071 21.159 ( 0.853 -5.360 -1.810) 5.722 21.453 ( -4.413 3.618 3.084) 6.486 21.715 ( -10.762 7.283 -2.705) 13.273 25.797 ( 11.119 1.014 -0.014) 11.165 25.845 ( 9.468 0.964 -0.076) 9.517 27.574 ( -5.295 -0.093 0.676) 5.338 27.661 ( -4.211 0.509 -0.704) 4.300 ======================= Grid point 10 (6/95) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 18.276 -0.000 -4.748) 18.883 0.818 ( 21.280 -0.000 1.470) 21.331 1.379 ( 24.533 -0.000 -6.342) 25.339 1.434 ( -5.579 0.000 -4.193) 6.979 1.531 ( 2.290 -0.000 0.518) 2.348 1.764 ( 9.791 -0.000 7.441) 12.297 1.779 ( 7.402 -0.000 12.411) 14.450 1.878 ( 6.544 -0.000 -8.000) 10.335 2.158 ( -3.346 0.000 0.645) 3.407 2.207 ( 6.686 -0.000 -3.822) 7.702 2.241 ( 7.148 -0.000 -1.881) 7.392 2.304 ( 3.027 -0.000 -2.704) 4.059 2.341 ( 4.532 -0.000 1.726) 4.850 2.493 ( -5.729 0.000 0.823) 5.788 2.615 ( -4.523 0.000 0.353) 4.537 2.756 ( -14.428 0.000 -0.771) 14.448 2.877 ( -5.054 0.000 2.485) 5.631 2.980 ( -2.243 0.000 0.836) 2.393 3.069 ( -2.296 0.000 3.171) 3.915 3.079 ( -4.845 0.000 3.447) 5.946 3.182 ( -1.901 0.000 -0.108) 1.904 3.327 ( -9.719 0.000 0.968) 9.767 3.437 ( 2.317 -0.000 0.985) 2.517 3.456 ( -0.146 0.000 -8.586) 8.588 3.702 ( 6.955 -0.000 -4.943) 8.532 3.794 ( -3.384 0.000 3.206) 4.661 3.835 ( -0.634 0.000 0.666) 0.919 3.924 ( 4.477 -0.000 -0.416) 4.496 4.074 ( 0.741 -0.000 1.024) 1.264 4.078 ( -6.826 0.000 1.847) 7.071 4.118 ( 2.619 -0.000 3.981) 4.765 4.253 ( -3.571 0.000 -8.387) 9.115 4.559 ( 6.312 -0.000 2.717) 6.871 4.896 ( 7.120 -0.000 -4.237) 8.285 5.222 ( 11.501 -0.000 -8.331) 14.201 5.584 ( 2.801 -0.000 8.539) 8.987 5.879 ( 18.513 -0.000 7.456) 19.958 5.974 ( 16.385 -0.000 4.728) 17.054 6.227 ( 13.611 -0.000 -2.706) 13.877 6.294 ( 14.018 -0.000 -2.199) 14.190 7.157 ( 9.313 -0.000 1.355) 9.411 7.631 ( -5.337 0.000 -0.088) 5.338 7.661 ( -3.577 0.000 -0.617) 3.630 7.826 ( 5.120 -0.000 0.185) 5.123 7.913 ( -3.332 0.000 4.868) 5.899 7.929 ( 15.105 -0.000 -5.664) 16.132 8.501 ( -7.074 0.000 -7.445) 10.270 8.832 ( -11.593 0.000 9.589) 15.045 9.420 ( 0.789 -0.000 -3.432) 3.522 9.453 ( 2.327 -0.000 10.116) 10.380 9.846 ( 4.995 -0.000 0.856) 5.068 10.122 ( 11.854 -0.000 -11.410) 16.453 10.226 ( 12.161 -0.000 -10.477) 16.052 10.307 ( 5.184 -0.000 2.776) 5.881 10.719 ( -5.029 0.000 15.259) 16.067 10.973 ( 5.105 -0.000 1.902) 5.448 11.198 ( 6.487 -0.000 -12.595) 14.167 11.626 ( 1.483 -0.000 3.384) 3.695 13.263 ( 1.591 -0.000 -1.688) 2.320 13.436 ( 3.792 -0.000 1.612) 4.121 19.663 ( 3.717 -0.000 -3.230) 4.924 19.823 ( 1.835 -0.000 1.587) 2.426 19.906 ( -2.409 0.000 1.558) 2.869 20.325 ( -2.742 0.000 0.316) 2.760 20.637 ( 1.533 -0.000 11.135) 11.240 21.482 ( -22.215 0.000 -10.885) 24.739 22.058 ( -15.500 0.000 6.469) 16.795 22.730 ( -26.449 0.000 -4.254) 26.789 24.882 ( 38.017 -0.000 0.392) 38.019 25.177 ( 26.497 -0.000 -1.552) 26.542 27.936 ( -10.832 0.000 2.471) 11.110 27.969 ( -7.256 0.000 -6.132) 9.500 ======================= Grid point 11 (7/95) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 15.602 -7.682 -2.779) 17.611 1.167 ( 14.098 -1.101 -1.647) 14.237 1.365 ( 0.822 -0.540 -3.980) 4.100 1.503 ( 2.107 -0.716 -1.794) 2.859 1.679 ( 0.988 0.659 0.708) 1.383 1.829 ( 0.167 -0.865 7.470) 7.522 1.987 ( 10.414 -4.668 -2.945) 11.786 2.014 ( 7.720 -2.711 6.664) 10.553 2.050 ( -6.537 -0.854 -0.641) 6.624 2.307 ( 5.548 5.653 -0.942) 7.977 2.319 ( 2.265 3.677 -4.338) 6.121 2.418 ( 4.798 -1.170 0.816) 5.005 2.466 ( -0.417 1.720 -0.676) 1.895 2.489 ( -0.417 -1.039 -3.383) 3.564 2.493 ( 0.847 -1.437 3.455) 3.837 2.660 ( 6.786 -2.881 -5.824) 9.395 2.833 ( 0.351 -1.516 2.374) 2.838 2.877 ( -7.348 -1.801 5.027) 9.084 2.956 ( -7.477 1.882 1.558) 7.866 3.037 ( -1.613 2.704 1.992) 3.726 3.116 ( -7.901 0.845 2.073) 8.212 3.206 ( 2.289 0.522 -1.172) 2.624 3.426 ( -1.547 3.124 -7.948) 8.679 3.459 ( -0.853 0.528 4.543) 4.653 3.713 ( -2.128 3.665 1.820) 4.612 3.766 ( -2.066 -1.565 0.128) 2.595 3.898 ( 9.193 -0.835 -6.667) 11.387 3.959 ( -3.852 -0.627 0.970) 4.021 4.051 ( 4.755 2.358 0.387) 5.322 4.117 ( -1.814 -0.083 2.178) 2.836 4.120 ( 2.624 -3.176 -0.138) 4.122 4.224 ( -0.608 -1.348 -0.235) 1.498 4.617 ( 0.757 0.022 2.823) 2.923 4.940 ( -0.589 1.150 -4.086) 4.285 5.406 ( 7.560 0.427 -5.711) 9.484 5.647 ( 3.104 0.682 4.508) 5.516 6.101 ( 7.188 2.650 -2.126) 7.950 6.145 ( 2.461 -0.396 7.055) 7.482 6.598 ( 22.390 0.658 -2.769) 22.570 6.619 ( 24.777 -1.170 -0.561) 24.811 7.365 ( 9.659 -0.130 5.408) 11.071 7.524 ( -3.536 0.822 4.262) 5.599 7.607 ( -2.469 0.539 -6.239) 6.732 7.858 ( 0.884 2.821 0.806) 3.064 7.887 ( 0.126 0.577 3.565) 3.613 8.099 ( 1.639 -2.901 -2.128) 3.953 8.495 ( 3.580 -0.722 -9.290) 9.982 8.564 ( -17.343 -2.414 5.140) 18.249 9.426 ( 1.195 1.710 -3.994) 4.506 9.524 ( 2.796 -2.667 8.141) 9.011 9.928 ( 3.134 -0.886 -3.060) 4.469 10.251 ( 6.445 9.683 -5.153) 12.722 10.324 ( 6.662 6.186 -8.779) 12.638 10.463 ( 4.804 -5.708 1.040) 7.533 10.683 ( 0.831 -2.043 18.221) 18.354 11.046 ( 2.689 -0.021 1.836) 3.256 11.311 ( 5.775 0.410 -9.579) 11.193 11.652 ( 1.399 0.892 0.967) 1.920 13.296 ( 1.985 -0.161 -0.840) 2.161 13.508 ( 2.933 -1.118 0.976) 3.287 19.743 ( 4.729 0.111 -3.164) 5.691 19.868 ( 1.439 -2.590 0.963) 3.115 19.878 ( -0.501 -0.330 1.495) 1.611 20.320 ( 0.231 -2.412 0.596) 2.496 20.706 ( 3.405 -4.312 9.466) 10.945 21.151 ( -14.529 -2.279 -10.894) 18.302 21.775 ( -13.356 3.486 6.689) 15.339 22.254 ( -22.666 4.473 -4.525) 23.542 25.478 ( 27.232 0.846 0.589) 27.251 25.602 ( 20.816 1.584 -1.087) 20.905 27.731 ( -11.168 -0.036 1.308) 11.244 27.813 ( -8.732 0.761 -1.922) 8.973 ======================= Grid point 12 (8/95) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 2.222 3.443 -1.119) 4.248 1.385 ( 9.367 -4.738 -1.939) 10.675 1.459 ( 1.986 -3.537 -2.993) 5.041 1.604 ( 4.148 2.989 6.318) 8.127 1.663 ( 2.922 -6.814 -8.330) 11.152 1.845 ( 0.362 -2.573 2.093) 3.337 1.960 ( -1.400 -0.505 2.575) 2.974 2.075 ( 1.829 1.600 -0.787) 2.554 2.221 ( 2.377 1.251 3.141) 4.133 2.291 ( 0.475 -0.953 1.666) 1.977 2.332 ( 2.945 3.521 -0.208) 4.595 2.357 ( -2.767 -4.029 -1.486) 5.109 2.419 ( 0.229 5.035 2.535) 5.642 2.563 ( -1.969 -0.204 -4.994) 5.372 2.604 ( 5.056 2.310 5.808) 8.039 2.702 ( -1.946 1.070 -5.053) 5.520 2.761 ( -4.333 -2.337 -1.684) 5.203 2.872 ( -0.762 1.214 0.561) 1.539 2.959 ( 4.649 -4.732 -3.622) 7.558 2.992 ( 3.737 -1.587 1.207) 4.235 3.080 ( 0.219 -0.478 4.674) 4.704 3.227 ( 0.094 1.643 0.898) 1.875 3.346 ( -3.055 1.278 0.233) 3.320 3.426 ( 0.041 1.884 -0.207) 1.896 3.631 ( -2.489 5.851 -0.461) 6.376 3.765 ( 0.660 -0.001 2.071) 2.174 3.915 ( -2.270 -3.051 -1.758) 4.190 4.028 ( -1.726 1.629 0.535) 2.433 4.068 ( 2.884 -0.800 -0.989) 3.152 4.134 ( 5.259 -0.738 -1.318) 5.472 4.175 ( -0.155 1.208 1.135) 1.664 4.246 ( 1.360 -2.307 0.605) 2.745 4.614 ( -0.864 -0.517 2.072) 2.304 4.887 ( -3.446 0.305 -3.484) 4.910 5.470 ( 0.257 -0.140 -2.451) 2.468 5.667 ( -0.390 0.580 0.687) 0.981 6.114 ( -2.475 0.489 2.326) 3.432 6.158 ( -0.057 0.982 -0.449) 1.082 6.956 ( 15.679 -0.598 -1.582) 15.770 7.036 ( 13.863 -0.628 3.780) 14.383 7.426 ( -2.468 0.877 1.438) 2.988 7.496 ( -0.919 1.378 -1.480) 2.221 7.603 ( 5.162 0.404 -6.609) 8.395 7.858 ( 2.017 1.901 2.231) 3.559 7.910 ( 4.816 -0.299 4.537) 6.624 8.137 ( -0.412 -2.080 -0.221) 2.132 8.161 ( -21.658 -0.751 4.234) 22.081 8.624 ( 3.159 -1.810 -5.443) 6.549 9.426 ( 0.383 1.751 -0.803) 1.964 9.596 ( 1.432 -4.356 5.720) 7.331 9.957 ( -0.474 -0.678 -13.503) 13.528 10.200 ( -0.816 6.384 2.285) 6.830 10.401 ( 6.309 7.391 -7.300) 12.154 10.503 ( -1.037 0.824 8.752) 8.851 10.791 ( 2.768 -7.276 9.866) 12.567 11.076 ( 0.651 -0.257 0.893) 1.134 11.367 ( 1.112 1.194 -4.722) 4.996 11.645 ( -2.008 -0.150 -2.146) 2.943 13.332 ( 1.895 0.289 0.862) 2.101 13.552 ( 0.647 -1.044 -0.361) 1.280 19.798 ( 1.154 0.003 0.503) 1.259 19.904 ( 2.389 0.084 0.922) 2.562 19.925 ( 3.567 -0.954 -3.033) 4.779 20.374 ( 5.166 1.960 2.149) 5.929 20.827 ( 2.291 -5.763 4.475) 7.647 21.025 ( -1.947 -7.338 -6.356) 9.901 21.547 ( -7.037 4.806 6.258) 10.573 21.847 ( -16.134 5.615 -4.842) 17.756 25.813 ( 9.296 0.600 1.260) 9.400 25.860 ( 7.521 0.591 -1.510) 7.694 27.571 ( -5.257 -0.161 -0.386) 5.274 27.671 ( -5.088 0.500 0.464) 5.134 ======================= Grid point 13 (9/95) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 1.860 3.504 0.317) 3.980 1.469 ( -0.828 -2.149 0.255) 2.318 1.528 ( 1.198 0.101 -5.653) 5.779 1.574 ( 3.456 5.131 3.299) 7.011 1.833 ( -1.027 -6.388 -3.699) 7.453 1.942 ( 0.944 0.124 2.648) 2.814 1.948 ( 3.570 -3.898 -3.477) 6.327 2.074 ( -1.059 5.215 0.730) 5.371 2.136 ( 0.865 1.935 2.804) 3.515 2.276 ( -1.646 2.533 0.480) 3.059 2.324 ( -0.670 2.812 1.376) 3.202 2.396 ( -0.382 -0.290 -0.758) 0.897 2.426 ( 1.343 -2.764 0.225) 3.082 2.512 ( -0.666 -5.249 1.654) 5.543 2.599 ( -0.523 5.287 -4.364) 6.875 2.681 ( 2.828 -0.172 5.536) 6.219 2.808 ( 1.314 -2.618 -6.603) 7.224 2.848 ( 0.717 4.832 -0.967) 4.980 2.986 ( -3.191 -1.452 3.058) 4.652 3.035 ( 0.196 1.176 1.876) 2.223 3.160 ( -1.593 4.691 3.287) 5.945 3.173 ( 3.697 -2.502 -0.022) 4.464 3.356 ( 1.162 -0.942 -1.527) 2.137 3.448 ( 3.805 -0.421 -1.452) 4.095 3.530 ( -2.902 1.223 -1.243) 3.385 3.730 ( -3.493 3.588 1.925) 5.365 3.928 ( 1.066 -2.277 -0.594) 2.583 3.955 ( -5.230 -1.849 -0.285) 5.555 4.098 ( -2.454 -0.123 -0.113) 2.459 4.138 ( 1.766 0.448 1.413) 2.305 4.215 ( 0.116 2.346 -0.207) 2.358 4.283 ( 1.900 -0.872 -1.105) 2.365 4.609 ( -0.563 -0.957 1.174) 1.616 4.831 ( -3.292 -2.706 -0.745) 4.326 5.429 ( -5.829 -2.524 0.610) 6.381 5.627 ( -3.949 -0.892 -1.133) 4.204 6.059 ( -3.789 -1.361 3.700) 5.468 6.135 ( -1.724 -0.740 -4.331) 4.720 6.967 ( -14.578 0.996 1.904) 14.736 7.090 ( -10.838 0.919 -2.046) 11.068 7.395 ( -4.205 -0.984 -1.963) 4.744 7.431 ( 1.269 -0.736 -3.784) 4.058 7.626 ( -2.990 1.390 11.667) 12.124 7.837 ( -1.975 0.912 -1.393) 2.583 7.916 ( -4.114 -0.350 -1.381) 4.354 8.155 ( 0.335 -1.451 0.673) 1.634 8.189 ( 23.090 0.698 -5.433) 23.731 8.642 ( -1.876 -1.295 3.037) 3.797 9.382 ( -3.765 0.915 5.167) 6.458 9.683 ( 2.857 -4.973 -0.853) 5.799 9.923 ( -2.920 0.223 -10.372) 10.778 10.133 ( -1.498 3.103 -2.464) 4.237 10.324 ( -6.995 6.755 7.512) 12.288 10.491 ( -0.126 0.228 -2.034) 2.051 10.869 ( -1.953 -5.760 5.809) 8.410 11.076 ( -0.778 0.053 -1.782) 1.945 11.323 ( -4.841 0.215 1.563) 5.091 11.586 ( -5.637 -3.153 -3.785) 7.486 13.353 ( 1.114 1.417 2.270) 2.898 13.552 ( -1.684 -1.273 -1.569) 2.630 19.802 ( 0.082 1.068 1.634) 1.954 19.937 ( 0.838 -0.821 0.457) 1.259 20.001 ( 6.105 4.869 -4.166) 8.851 20.461 ( 8.697 6.872 4.116) 11.824 20.902 ( 2.694 -5.520 -3.490) 7.065 21.165 ( 4.608 -5.482 0.597) 7.186 21.455 ( 1.063 3.229 2.904) 4.471 21.629 ( -1.305 -0.976 -2.153) 2.700 25.778 ( -13.129 -0.950 1.470) 13.246 25.826 ( -11.474 -0.957 -1.546) 11.617 27.575 ( 5.406 -0.009 -1.677) 5.661 27.653 ( 3.313 -0.297 1.837) 3.800 ======================= Grid point 14 (10/95) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 3.209 3.870 -0.537) 5.056 1.412 ( -4.950 3.277 0.095) 5.938 1.486 ( -6.669 3.338 -6.003) 9.573 1.629 ( 3.072 8.995 4.670) 10.590 1.699 ( 1.054 1.436 -1.867) 2.580 1.945 ( -3.464 -1.067 -2.947) 4.671 2.006 ( 1.088 -0.381 4.743) 4.881 2.075 ( -0.257 2.223 2.487) 3.345 2.146 ( 0.435 -0.810 1.494) 1.754 2.216 ( -1.848 -0.281 -0.336) 1.899 2.319 ( -0.709 2.248 -4.619) 5.185 2.404 ( 0.195 3.773 -5.228) 6.450 2.455 ( 3.150 -1.481 5.606) 6.599 2.542 ( -0.316 4.465 -3.456) 5.655 2.599 ( -1.836 -2.938 3.257) 4.755 2.683 ( -2.486 -1.061 0.658) 2.782 2.792 ( -2.301 2.666 1.779) 3.945 2.834 ( 1.089 -1.487 -1.473) 2.360 2.941 ( 1.772 -0.781 3.178) 3.721 3.059 ( 3.316 1.037 -1.309) 3.713 3.105 ( -0.760 3.402 1.475) 3.785 3.170 ( -2.342 0.368 0.360) 2.398 3.354 ( -1.252 1.234 -3.533) 3.946 3.492 ( 1.616 5.135 -0.298) 5.392 3.583 ( 5.774 -3.595 -2.670) 7.307 3.659 ( -2.346 -5.748 1.965) 6.511 3.887 ( -4.633 -3.792 -0.725) 6.031 3.955 ( -2.113 -0.135 2.356) 3.167 4.052 ( -1.838 -1.210 -1.488) 2.656 4.123 ( -0.587 3.697 1.401) 3.997 4.188 ( -0.977 0.941 -0.401) 1.414 4.305 ( 1.262 0.662 0.237) 1.445 4.600 ( -1.830 -0.941 0.032) 2.058 4.828 ( -1.587 -4.427 1.697) 5.000 5.318 ( -10.342 -5.211 3.198) 12.014 5.549 ( -6.451 -3.671 -3.079) 8.035 5.987 ( -7.167 -1.676 4.165) 8.457 6.104 ( -4.491 -2.858 -9.099) 10.542 6.569 ( -26.799 0.863 2.017) 26.889 6.677 ( -24.908 0.596 1.722) 24.974 7.341 ( -3.933 -1.377 -3.686) 5.564 7.464 ( 0.253 -1.225 -1.540) 1.984 7.608 ( 0.583 0.945 3.637) 3.802 7.795 ( -3.892 -0.822 -0.602) 4.023 7.856 ( -2.597 0.300 -0.678) 2.701 8.160 ( -1.301 -1.533 0.727) 2.138 8.550 ( 7.602 1.396 1.617) 7.897 8.671 ( 13.701 1.414 -1.389) 13.844 9.315 ( -3.439 -1.537 7.433) 8.333 9.723 ( -3.337 -0.254 -6.671) 7.463 9.843 ( -7.743 -4.332 4.411) 9.909 10.074 ( -3.416 6.403 -2.047) 7.540 10.093 ( -9.594 1.151 -1.074) 9.723 10.494 ( 0.014 -3.685 -4.010) 5.446 10.816 ( -6.865 0.461 2.046) 7.178 11.041 ( -3.408 -0.297 -4.537) 5.682 11.207 ( -9.091 -3.383 8.752) 13.065 11.522 ( -5.236 -5.748 -3.780) 8.645 13.344 ( -0.254 2.358 2.357) 3.344 13.524 ( -2.262 -1.240 -1.606) 3.039 19.786 ( 0.429 3.292 1.693) 3.727 19.948 ( 0.123 0.593 0.098) 0.614 20.034 ( 4.383 7.887 -3.587) 9.710 20.566 ( 11.040 9.193 7.318) 16.123 20.986 ( 3.158 3.915 -11.750) 12.781 21.255 ( 8.221 -1.170 5.879) 10.175 21.550 ( 10.001 -2.042 -2.296) 10.463 21.861 ( 15.301 -13.061 2.354) 20.255 25.399 ( -29.220 -2.583 0.825) 29.345 25.492 ( -26.284 -3.080 -0.803) 26.476 27.726 ( 9.917 -0.184 -1.799) 10.080 27.772 ( 8.136 -0.895 2.174) 8.469 ======================= Grid point 15 (11/95) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -14.270 10.323 -7.157) 19.011 1.173 ( -12.343 10.929 1.656) 16.569 1.403 ( 4.744 5.977 3.686) 8.474 1.615 ( 1.704 5.589 -2.416) 6.323 1.751 ( 2.165 9.095 1.516) 9.471 1.893 ( -0.774 -0.775 2.363) 2.604 1.925 ( -8.496 3.183 3.087) 9.583 2.033 ( -5.299 5.532 -1.627) 7.831 2.133 ( -5.457 4.448 0.411) 7.052 2.153 ( -7.757 8.736 -3.371) 12.159 2.223 ( 4.142 -5.198 2.521) 7.108 2.346 ( -1.150 -0.180 -4.069) 4.232 2.395 ( -6.381 3.952 2.239) 7.832 2.412 ( -3.396 1.046 1.197) 3.750 2.659 ( 5.099 -3.225 -0.301) 6.041 2.757 ( 7.929 -0.200 1.332) 8.042 2.811 ( 0.816 -3.047 1.848) 3.656 2.914 ( 4.761 -4.945 -3.073) 7.521 3.045 ( 6.010 0.530 0.930) 6.105 3.086 ( 1.572 -0.578 0.188) 1.685 3.103 ( 0.098 -0.157 -0.094) 0.208 3.143 ( 2.603 0.530 -3.097) 4.080 3.310 ( -2.740 -1.212 -1.124) 3.199 3.474 ( -0.328 0.708 0.458) 0.905 3.709 ( 2.167 -1.178 -2.639) 3.612 3.722 ( 3.068 -6.409 0.992) 7.174 3.815 ( -7.004 2.898 4.812) 8.978 3.895 ( 1.196 -4.172 -0.293) 4.350 4.071 ( -1.237 -1.852 -3.080) 3.801 4.110 ( 2.834 1.634 0.109) 3.274 4.141 ( -2.076 1.184 0.637) 2.473 4.333 ( 1.795 0.499 3.652) 4.099 4.544 ( -5.609 -0.858 -2.525) 6.211 4.804 ( -6.762 -3.812 3.055) 8.342 5.165 ( -10.915 -4.235 5.488) 12.930 5.494 ( -3.716 -5.549 -5.846) 8.875 5.747 ( -22.128 -2.280 0.101) 22.245 5.951 ( -15.530 -2.380 -7.462) 17.393 6.144 ( -16.782 -1.384 2.936) 17.093 6.328 ( -13.267 -0.138 -0.528) 13.278 7.249 ( -4.143 0.604 1.678) 4.510 7.507 ( -0.637 -4.455 2.172) 4.997 7.574 ( -3.390 -1.935 -6.474) 7.560 7.749 ( -2.199 -0.090 1.000) 2.417 7.819 ( -0.696 -1.034 -0.050) 1.248 8.090 ( -7.824 -1.159 3.785) 8.768 8.604 ( 6.676 4.130 4.111) 8.862 8.945 ( 13.074 3.368 -9.198) 16.337 9.293 ( -3.176 -4.225 8.245) 9.794 9.557 ( -13.936 -1.905 -2.885) 14.358 9.700 ( -8.849 0.397 9.158) 12.741 9.922 ( -5.537 0.590 1.479) 5.762 9.980 ( -7.178 -0.431 -9.192) 11.671 10.561 ( 0.300 0.132 -0.702) 0.775 10.651 ( -4.925 1.244 -6.580) 8.313 10.951 ( -6.456 -1.150 -4.530) 7.970 11.097 ( -8.552 -7.423 12.305) 16.722 11.510 ( -2.205 -5.846 -3.056) 6.955 13.308 ( -1.292 2.090 1.477) 2.867 13.503 ( -0.335 -0.002 -0.634) 0.717 19.755 ( 0.562 5.404 1.822) 5.731 19.924 ( -1.092 2.980 -0.451) 3.206 20.022 ( 2.913 7.352 -2.434) 8.274 20.659 ( 5.952 7.397 9.740) 13.602 21.028 ( 16.837 15.589 -16.746) 28.407 21.520 ( 16.534 -2.889 9.975) 19.525 21.830 ( 15.989 -6.279 -6.087) 18.224 22.318 ( 17.894 -16.940 3.326) 24.864 24.812 ( -37.828 -3.418 0.003) 37.982 24.965 ( -35.847 -5.258 0.250) 36.231 27.889 ( 6.341 -1.539 1.835) 6.779 27.943 ( 9.477 -0.341 -0.663) 9.506 ======================= Grid point 16 (12/95) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -15.449 13.181 -5.488) 21.036 0.771 ( -18.881 13.617 1.088) 23.305 1.233 ( -10.367 27.560 3.113) 29.609 1.477 ( -13.964 3.656 -0.128) 14.435 1.640 ( 3.359 9.091 -0.142) 9.692 1.738 ( -0.111 9.354 7.875) 12.228 1.812 ( -3.921 10.833 -8.616) 14.386 1.941 ( 0.842 5.040 0.670) 5.153 2.006 ( -1.463 0.862 3.118) 3.550 2.084 ( -0.606 -1.752 -0.245) 1.870 2.249 ( -2.174 1.218 -0.964) 2.672 2.333 ( -0.880 -3.578 -1.046) 3.830 2.365 ( 1.257 -0.471 0.757) 1.541 2.492 ( 5.347 -7.784 1.723) 9.599 2.721 ( 2.508 3.075 1.545) 4.258 2.845 ( 2.271 -2.080 -2.066) 3.708 2.932 ( 6.418 -1.626 -2.040) 6.928 3.039 ( 2.206 -3.957 -2.532) 5.190 3.060 ( -0.780 -0.186 1.195) 1.439 3.137 ( 5.556 -1.546 1.760) 6.030 3.174 ( 1.695 -5.489 -0.359) 5.755 3.248 ( 5.028 -1.512 -1.596) 5.487 3.287 ( -1.014 -2.596 -2.193) 3.547 3.456 ( -2.566 -1.756 4.693) 5.630 3.647 ( -4.652 2.581 -1.726) 5.593 3.672 ( -5.257 0.311 1.742) 5.547 3.933 ( 11.118 -5.246 -3.461) 12.771 3.984 ( -2.420 0.908 0.427) 2.619 4.043 ( 3.872 -3.848 3.339) 6.399 4.107 ( -0.303 1.282 -3.222) 3.481 4.178 ( 4.231 -0.322 -0.369) 4.260 4.319 ( -5.748 -2.756 4.270) 7.672 4.448 ( -1.671 3.312 -0.865) 3.809 4.636 ( -14.792 -2.564 3.902) 15.511 5.058 ( -3.755 -2.413 5.843) 7.353 5.311 ( -20.517 -4.461 -5.976) 21.830 5.584 ( 1.194 -4.615 -10.960) 11.952 5.652 ( -13.312 0.192 0.588) 13.326 5.932 ( -12.787 -4.681 4.251) 14.265 6.139 ( -6.820 2.035 -3.046) 7.741 7.261 ( 5.257 -0.132 7.482) 9.145 7.424 ( -8.487 -5.310 -1.628) 10.142 7.596 ( -2.490 -5.627 -2.266) 6.558 7.690 ( -2.745 0.271 -0.719) 2.850 7.883 ( 6.176 -1.181 -8.152) 10.295 7.974 ( -2.939 2.617 10.127) 10.865 8.717 ( 8.115 2.814 0.289) 8.594 8.957 ( -16.067 -5.907 -15.656) 23.198 9.238 ( -5.703 -0.821 16.194) 17.189 9.397 ( -3.089 -0.796 2.051) 3.793 9.553 ( -5.100 4.077 -0.199) 6.533 9.845 ( -2.659 1.388 0.494) 3.040 9.848 ( -7.108 -3.788 -2.025) 8.305 10.361 ( -8.043 10.353 -1.351) 13.179 10.742 ( 4.299 -5.012 -6.185) 9.047 10.859 ( -4.375 -1.756 -4.375) 6.431 11.063 ( -4.060 -9.340 9.995) 14.269 11.537 ( -0.477 -4.704 -1.876) 5.087 13.269 ( -0.961 1.537 0.859) 2.006 13.523 ( 3.326 0.992 -0.043) 3.471 19.706 ( 0.119 6.434 1.422) 6.590 19.862 ( -1.429 4.115 -0.821) 4.433 20.006 ( 1.676 5.072 -0.980) 5.431 20.654 ( 0.662 4.771 4.145) 6.354 21.374 ( 46.134 25.514 -13.145) 54.333 21.860 ( 14.138 -5.801 7.370) 16.966 22.215 ( 19.887 -5.472 -5.413) 21.325 22.770 ( 8.707 -22.124 4.870) 24.269 24.134 ( -40.014 -4.338 -0.326) 40.250 24.293 ( -43.450 -4.303 1.629) 43.693 27.976 ( 1.175 -1.889 4.352) 4.888 28.094 ( 6.261 -0.429 -1.436) 6.438 ======================= Grid point 17 (13/95) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( -0.000 16.200 0.000) 16.200 0.367 ( -0.000 19.286 0.000) 19.286 0.778 ( -0.000 39.773 0.000) 39.773 1.256 ( -0.000 4.669 0.000) 4.669 1.627 ( -0.000 4.293 0.000) 4.293 1.648 ( -0.000 10.510 0.000) 10.510 1.699 ( -0.000 7.567 0.000) 7.567 1.863 ( -0.000 8.348 0.000) 8.348 2.040 ( 0.000 -6.761 -0.000) 6.761 2.106 ( -0.000 0.175 0.000) 0.175 2.271 ( -0.000 0.255 0.000) 0.255 2.295 ( 0.000 -4.156 -0.000) 4.156 2.378 ( -0.000 2.914 0.000) 2.914 2.604 ( 0.000 -3.814 -0.000) 3.814 2.743 ( 0.000 -2.101 -0.000) 2.101 2.894 ( 0.000 -3.373 -0.000) 3.373 3.012 ( 0.000 -0.022 -0.000) 0.022 3.016 ( -0.000 0.078 0.000) 0.078 3.134 ( 0.000 -2.580 -0.000) 2.580 3.190 ( -0.000 1.281 0.000) 1.281 3.238 ( -0.000 0.645 0.000) 0.645 3.278 ( 0.000 -9.163 -0.000) 9.163 3.339 ( -0.000 0.994 0.000) 0.994 3.427 ( 0.000 -3.515 -0.000) 3.515 3.575 ( -0.000 2.074 0.000) 2.074 3.613 ( -0.000 0.459 0.000) 0.459 3.905 ( -0.000 0.058 0.000) 0.058 4.075 ( -0.000 1.535 0.000) 1.535 4.135 ( 0.000 -3.775 -0.000) 3.775 4.237 ( 0.000 -6.570 -0.000) 6.570 4.264 ( 0.000 -1.600 -0.000) 1.600 4.268 ( 0.000 -0.140 -0.000) 0.140 4.386 ( -0.000 0.051 0.000) 0.051 4.402 ( -0.000 4.160 0.000) 4.160 5.065 ( -0.000 0.385 0.000) 0.385 5.078 ( 0.000 -2.485 -0.000) 2.485 5.524 ( 0.000 -2.010 -0.000) 2.010 5.643 ( -0.000 1.944 0.000) 1.944 5.843 ( 0.000 -7.704 -0.000) 7.704 6.058 ( -0.000 2.401 0.000) 2.401 7.283 ( 0.000 -4.483 -0.000) 4.483 7.544 ( 0.000 -8.154 -0.000) 8.154 7.592 ( 0.000 -1.023 -0.000) 1.023 7.654 ( 0.000 -4.687 -0.000) 4.687 7.953 ( 0.000 -4.048 -0.000) 4.048 7.967 ( -0.000 9.528 0.000) 9.528 8.591 ( -0.000 0.977 0.000) 0.977 8.792 ( -0.000 1.002 0.000) 1.002 9.156 ( -0.000 6.112 0.000) 6.112 9.370 ( -0.000 1.940 0.000) 1.940 9.472 ( -0.000 2.677 0.000) 2.677 9.786 ( 0.000 -2.589 -0.000) 2.589 9.843 ( -0.000 0.430 0.000) 0.430 10.177 ( -0.000 8.875 0.000) 8.875 10.822 ( 0.000 -3.150 -0.000) 3.150 10.831 ( 0.000 -1.459 -0.000) 1.459 11.130 ( 0.000 -9.160 -0.000) 9.160 11.570 ( 0.000 -3.114 -0.000) 3.114 13.247 ( -0.000 1.323 0.000) 1.323 13.590 ( 0.000 -1.902 -0.000) 1.902 19.649 ( -0.000 5.148 0.000) 5.148 19.813 ( -0.000 2.939 0.000) 2.939 19.980 ( -0.000 3.642 0.000) 3.642 20.621 ( -0.000 3.264 0.000) 3.264 22.062 ( 0.000 -6.017 -0.000) 6.017 22.392 ( 0.000 -0.592 -0.000) 0.592 22.522 ( 0.000 -3.686 -0.000) 3.686 22.603 ( 0.000 -13.525 -0.000) 13.525 23.532 ( -0.000 3.131 0.000) 3.131 23.786 ( -0.000 5.027 0.000) 5.027 27.977 ( -0.000 0.000 0.000) 0.000 28.158 ( 0.000 -0.414 -0.000) 0.414 ======================= Grid point 20 (14/95) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 8.523 -0.000 -3.757) 9.314 1.336 ( 4.528 -0.000 -3.955) 6.012 1.400 ( 7.172 -0.000 0.814) 7.218 1.594 ( 1.100 -0.000 -8.804) 8.872 1.662 ( 4.915 -0.000 7.101) 8.637 1.814 ( -3.045 0.000 -0.561) 3.096 1.962 ( -0.076 0.000 5.193) 5.193 2.097 ( 4.858 -0.000 -2.844) 5.629 2.189 ( 10.142 -0.000 6.597) 12.098 2.285 ( -5.439 0.000 -1.795) 5.727 2.308 ( -3.527 0.000 -0.420) 3.552 2.412 ( -0.775 0.000 1.749) 1.913 2.501 ( 2.517 -0.000 -2.117) 3.289 2.536 ( 2.482 -0.000 0.723) 2.585 2.610 ( 0.498 -0.000 1.027) 1.141 2.715 ( -3.476 0.000 -1.345) 3.727 2.788 ( -3.054 0.000 -1.279) 3.311 2.839 ( 6.320 -0.000 -6.209) 8.860 2.876 ( 1.383 -0.000 1.655) 2.156 3.009 ( 0.421 -0.000 0.826) 0.928 3.062 ( 0.202 -0.000 5.358) 5.362 3.236 ( 0.583 -0.000 1.742) 1.837 3.405 ( -4.865 0.000 5.452) 7.307 3.421 ( -0.737 0.000 -7.706) 7.741 3.724 ( 0.519 -0.000 1.408) 1.501 3.753 ( 0.237 -0.000 3.300) 3.309 3.856 ( -3.135 0.000 -4.140) 5.193 4.038 ( -5.520 0.000 0.512) 5.544 4.079 ( 9.652 -0.000 -3.621) 10.308 4.117 ( 1.539 -0.000 1.149) 1.921 4.203 ( -2.159 0.000 1.994) 2.939 4.207 ( 5.398 -0.000 -0.010) 5.398 4.608 ( -1.300 0.000 2.804) 3.091 4.889 ( -4.898 0.000 -4.272) 6.499 5.467 ( -0.653 0.000 -2.639) 2.719 5.671 ( -0.927 0.000 0.137) 0.937 6.117 ( -3.709 0.000 4.176) 5.585 6.169 ( -0.630 0.000 -1.672) 1.786 6.948 ( 15.694 -0.000 -1.387) 15.756 7.032 ( 14.824 -0.000 3.808) 15.305 7.436 ( -2.451 0.000 1.554) 2.902 7.508 ( -3.171 0.000 -3.593) 4.792 7.609 ( 6.876 -0.000 -5.007) 8.506 7.887 ( 0.460 -0.000 4.313) 4.337 7.904 ( 5.760 -0.000 4.369) 7.230 8.112 ( 1.406 -0.000 -1.426) 2.003 8.152 ( -23.008 0.000 4.774) 23.498 8.603 ( 3.971 -0.000 -6.891) 7.954 9.447 ( 0.823 -0.000 -0.987) 1.285 9.549 ( 0.431 -0.000 6.978) 6.992 9.951 ( 0.217 -0.000 -12.924) 12.926 10.278 ( -3.767 0.000 -1.438) 4.032 10.464 ( 5.002 -0.000 -4.864) 6.977 10.541 ( 2.597 -0.000 -0.864) 2.737 10.693 ( 0.958 -0.000 20.159) 20.182 11.072 ( 0.563 -0.000 1.088) 1.225 11.377 ( 0.939 -0.000 -4.479) 4.577 11.641 ( -3.399 0.000 -3.466) 4.855 13.337 ( 2.439 -0.000 1.480) 2.853 13.539 ( 0.649 -0.000 -0.710) 0.962 19.803 ( 1.795 -0.000 1.290) 2.210 19.870 ( 0.463 -0.000 -0.272) 0.537 19.951 ( 8.319 -0.000 -3.525) 9.035 20.397 ( 7.755 -0.000 3.527) 8.520 20.770 ( 5.622 -0.000 8.233) 9.969 20.942 ( -6.495 0.000 -10.674) 12.495 21.597 ( -7.805 0.000 6.908) 10.423 21.902 ( -17.618 0.000 -5.400) 18.427 25.818 ( 8.584 -0.000 1.765) 8.763 25.866 ( 6.671 -0.000 -2.088) 6.990 27.569 ( -5.229 0.000 -0.810) 5.291 27.676 ( -5.511 0.000 0.926) 5.589 ======================= Grid point 21 (15/95) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 0.679 3.507 0.981) 3.704 1.393 ( -0.983 -3.922 0.514) 4.076 1.553 ( 5.392 2.382 -4.245) 7.264 1.637 ( 6.497 -5.374 -2.939) 8.929 1.728 ( 2.701 4.871 -3.847) 6.769 1.854 ( 5.565 -5.362 -0.205) 7.730 2.005 ( 2.399 3.512 4.448) 6.154 2.153 ( 3.826 2.185 2.130) 4.894 2.189 ( -7.670 2.948 0.238) 8.221 2.277 ( 0.004 -3.195 1.643) 3.593 2.291 ( -3.347 -4.242 -1.613) 5.639 2.379 ( -0.663 2.567 0.812) 2.773 2.454 ( -4.642 0.200 -0.776) 4.711 2.505 ( 3.074 4.589 1.434) 5.706 2.624 ( 2.260 -4.826 2.417) 5.851 2.664 ( -1.674 0.702 -4.374) 4.735 2.805 ( 1.772 2.438 -0.421) 3.043 2.905 ( 3.603 2.123 -4.505) 6.146 2.989 ( 3.184 -1.616 -2.751) 4.508 3.057 ( -0.020 0.254 3.651) 3.660 3.094 ( 5.938 -1.857 3.231) 7.010 3.224 ( -2.209 1.548 6.094) 6.664 3.318 ( -1.636 -2.334 1.557) 3.247 3.430 ( 1.497 -0.043 -4.024) 4.294 3.648 ( -3.408 8.175 -1.354) 8.960 3.762 ( -1.504 -1.872 1.302) 2.732 3.884 ( 2.962 -1.928 -1.260) 3.752 3.913 ( -8.652 -1.539 0.893) 8.833 4.103 ( -4.105 0.432 1.255) 4.314 4.172 ( 3.556 2.848 0.257) 4.563 4.238 ( 3.983 -0.983 -2.561) 4.836 4.254 ( 0.211 -1.009 0.591) 1.188 4.592 ( -0.725 -0.608 2.245) 2.436 4.784 ( -6.290 -1.691 -2.608) 7.016 5.387 ( -8.706 -1.446 0.835) 8.865 5.617 ( -5.155 -0.264 -2.025) 5.545 6.044 ( -4.190 -0.337 1.092) 4.344 6.121 ( -3.868 -0.549 -0.793) 3.987 6.992 ( -12.490 1.191 1.331) 12.617 7.094 ( -10.941 -0.266 -1.255) 11.016 7.377 ( -8.075 -0.632 -5.789) 9.956 7.428 ( 3.552 0.085 -0.839) 3.650 7.648 ( -3.724 0.761 13.330) 13.861 7.865 ( -2.922 1.801 -1.484) 3.739 7.899 ( -3.044 -1.403 -0.736) 3.432 8.127 ( -0.210 -1.046 -1.200) 1.606 8.200 ( 24.691 0.385 -4.582) 25.115 8.614 ( -2.167 -1.130 3.628) 4.374 9.432 ( -2.007 4.054 1.852) 4.888 9.560 ( -1.649 -6.427 3.075) 7.314 9.944 ( 0.597 0.997 -13.096) 13.148 10.193 ( -3.707 2.709 -4.988) 6.780 10.469 ( -5.127 0.042 6.572) 8.335 10.492 ( -3.096 6.381 -2.504) 7.522 10.739 ( -1.243 -6.547 13.770) 15.297 11.074 ( -0.580 -0.142 -1.667) 1.771 11.331 ( -5.615 0.330 0.615) 5.659 11.534 ( -8.310 -1.765 -6.357) 10.611 13.379 ( 2.402 0.989 3.593) 4.434 13.526 ( -2.381 -1.031 -2.562) 3.647 19.834 ( 2.596 1.992 2.134) 3.906 19.896 ( 1.293 -2.339 -0.547) 2.728 20.112 ( 10.653 4.702 -5.032) 12.686 20.557 ( 9.826 1.475 5.834) 11.522 20.843 ( 3.673 2.826 -1.881) 5.002 20.996 ( 7.131 -10.475 -0.725) 12.693 21.518 ( 0.249 2.275 5.851) 6.283 21.642 ( -8.899 0.994 -5.745) 10.639 25.764 ( -14.352 -0.382 2.463) 14.567 25.812 ( -12.746 -0.416 -2.652) 13.026 27.574 ( 5.619 -0.010 -2.138) 6.012 27.650 ( 2.632 -0.103 2.388) 3.555 ======================= Grid point 22 (16/95) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 3.843 2.420 2.466) 5.167 1.398 ( -0.252 -1.894 -2.007) 2.771 1.594 ( 1.182 5.582 -3.068) 6.478 1.742 ( -3.222 1.392 -1.186) 3.705 1.772 ( 8.215 3.842 2.039) 9.296 1.877 ( -4.783 1.754 -4.457) 6.769 2.016 ( 4.996 -5.833 -1.671) 7.859 2.075 ( -2.368 3.183 0.306) 3.979 2.155 ( -1.736 1.884 6.469) 6.957 2.260 ( -2.158 2.080 2.311) 3.785 2.345 ( -0.004 -4.469 -1.627) 4.756 2.373 ( 1.009 -1.564 -1.092) 2.158 2.400 ( 2.014 -3.229 0.095) 3.807 2.546 ( 2.509 3.190 1.062) 4.195 2.625 ( -1.436 3.373 -3.046) 4.766 2.720 ( 1.222 -2.504 2.561) 3.785 2.790 ( -0.122 0.563 -3.238) 3.289 2.891 ( -3.006 5.183 -3.522) 6.950 2.989 ( 3.011 5.481 0.611) 6.283 3.048 ( 0.241 -1.746 3.064) 3.535 3.166 ( -0.930 -0.848 0.086) 1.261 3.189 ( 0.870 4.258 7.051) 8.283 3.386 ( 0.243 -2.470 -1.973) 3.171 3.479 ( 3.487 -2.977 0.100) 4.586 3.537 ( 1.518 2.368 -2.294) 3.629 3.684 ( -4.832 5.516 0.114) 7.334 3.799 ( -6.906 -5.742 -0.142) 8.983 3.949 ( 1.994 -0.329 0.905) 2.214 4.032 ( -2.866 -0.660 -1.373) 3.246 4.189 ( -2.428 2.407 0.415) 3.444 4.205 ( -0.477 1.553 -0.760) 1.794 4.300 ( 0.989 -1.112 0.535) 1.581 4.582 ( -2.031 -0.915 1.599) 2.743 4.738 ( -1.944 -4.663 -0.129) 5.053 5.206 ( -13.641 -5.562 3.011) 15.036 5.495 ( -8.768 -1.891 -2.672) 9.359 5.969 ( -5.475 -0.544 -0.417) 5.517 6.049 ( -6.525 -2.360 -4.297) 8.161 6.603 ( -27.339 2.376 1.043) 27.462 6.675 ( -25.757 -0.794 1.842) 25.835 7.325 ( -1.578 -0.186 -5.605) 5.826 7.438 ( -3.412 -1.668 -0.103) 3.799 7.629 ( 1.740 1.131 9.047) 9.282 7.793 ( -6.006 0.551 -3.190) 6.823 7.857 ( -2.397 -0.368 0.203) 2.434 8.112 ( -4.225 -2.878 -2.120) 5.534 8.581 ( 8.080 2.035 5.124) 9.781 8.678 ( 18.237 -0.659 -2.766) 18.457 9.325 ( -5.055 2.637 6.098) 8.348 9.573 ( -6.888 -9.418 -1.776) 11.802 9.909 ( -2.169 5.495 -0.275) 5.914 10.120 ( -1.540 2.320 -16.391) 16.626 10.260 ( -9.274 10.446 6.802) 15.537 10.401 ( -6.329 -5.776 -0.367) 8.577 10.752 ( -4.628 -6.177 10.213) 12.801 11.035 ( -4.382 -0.414 -5.705) 7.206 11.179 ( -10.581 0.178 5.457) 11.907 11.416 ( -6.587 -4.857 -5.361) 9.784 13.393 ( 0.170 2.657 2.405) 3.587 13.490 ( -2.310 -2.239 -1.551) 3.571 19.859 ( 3.244 3.953 0.838) 5.182 19.946 ( 2.142 -0.607 0.861) 2.387 20.209 ( 7.553 9.957 -4.455) 13.268 20.711 ( 8.482 3.472 8.091) 12.225 20.961 ( 10.429 -2.238 -5.387) 11.950 21.212 ( 6.204 -4.069 -1.766) 7.627 21.566 ( 8.704 1.686 1.844) 9.056 21.660 ( 8.915 -6.729 -0.258) 11.173 25.359 ( -29.886 -1.459 1.901) 29.982 25.442 ( -27.943 -2.041 -2.020) 28.091 27.727 ( 9.619 0.263 -1.530) 9.744 27.756 ( 7.991 -0.852 1.883) 8.254 ======================= Grid point 23 (17/95) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -7.251 8.396 -6.592) 12.904 1.368 ( -10.831 10.636 4.540) 15.845 1.482 ( 10.090 2.364 1.165) 10.429 1.727 ( 3.163 3.029 0.040) 4.379 1.850 ( -3.029 -1.857 -6.346) 7.273 1.889 ( 3.599 5.263 -0.985) 6.451 1.941 ( -2.365 -0.815 6.067) 6.562 2.079 ( -3.095 2.306 1.186) 4.038 2.167 ( -0.024 -1.841 2.680) 3.251 2.182 ( -0.170 1.909 1.095) 2.207 2.304 ( -2.045 2.716 -5.441) 6.416 2.400 ( -4.085 3.998 -1.421) 5.890 2.462 ( -2.315 2.449 7.160) 7.913 2.521 ( -4.048 -0.285 0.669) 4.113 2.610 ( -2.424 3.668 0.564) 4.433 2.634 ( 5.735 -1.770 -3.331) 6.864 2.789 ( 0.955 0.808 -0.407) 1.315 2.876 ( 5.296 -1.842 -3.278) 6.495 3.055 ( 5.484 1.047 0.842) 5.646 3.064 ( -0.632 -0.445 2.788) 2.894 3.142 ( -0.550 0.667 0.564) 1.032 3.196 ( 5.424 5.024 -1.178) 7.486 3.332 ( -2.868 2.766 -2.749) 4.841 3.535 ( -3.569 5.510 0.690) 6.601 3.590 ( 2.714 -6.538 1.508) 7.238 3.655 ( 4.685 -4.355 -1.478) 6.565 3.771 ( -1.868 -6.732 0.151) 6.988 3.898 ( -4.554 4.235 1.257) 6.344 4.037 ( 0.268 -1.655 -1.539) 2.276 4.131 ( -1.954 -0.182 -4.169) 4.608 4.163 ( -0.818 1.396 4.081) 4.390 4.323 ( -1.148 -0.939 3.817) 4.095 4.523 ( -4.763 -1.368 -1.538) 5.189 4.733 ( -5.228 -3.776 1.420) 6.603 5.051 ( -10.062 -7.525 3.851) 13.141 5.381 ( -5.608 -5.585 -4.314) 9.013 5.729 ( -24.387 0.109 3.463) 24.632 5.884 ( -13.511 -3.941 -9.944) 17.233 6.159 ( -16.822 2.504 1.633) 17.086 6.312 ( -13.692 -1.560 -0.335) 13.784 7.239 ( -6.581 -0.947 4.842) 8.225 7.426 ( -1.618 -4.221 -1.409) 4.735 7.569 ( -7.507 1.183 -8.077) 11.090 7.751 ( 2.003 0.310 4.047) 4.526 7.807 ( -2.363 -0.539 2.431) 3.433 8.024 ( -8.194 -4.956 1.170) 9.647 8.682 ( 7.764 4.054 4.927) 10.049 8.994 ( 11.401 1.914 -9.992) 15.281 9.230 ( -4.780 -2.841 11.409) 12.692 9.470 ( -10.274 -4.892 -0.330) 11.384 9.784 ( -4.788 5.610 1.621) 7.552 9.976 ( -7.135 6.279 -3.687) 10.194 10.042 ( -7.617 5.001 -5.873) 10.841 10.442 ( 2.687 -9.250 -5.038) 10.870 10.698 ( -5.579 -1.258 5.672) 8.055 10.919 ( -8.964 -2.100 -3.074) 9.706 10.987 ( -10.423 -2.071 6.838) 12.637 11.392 ( -2.231 -6.145 -3.083) 7.227 13.341 ( -2.901 1.233 -1.077) 3.331 13.495 ( 0.941 -0.487 1.708) 2.010 19.873 ( 3.401 6.282 0.446) 7.158 19.971 ( 1.292 2.398 1.353) 3.041 20.202 ( 3.507 11.376 -3.347) 12.366 20.776 ( 2.427 4.426 6.553) 8.272 21.234 ( 19.947 2.637 -9.868) 22.410 21.385 ( 10.534 -5.749 2.452) 12.249 21.800 ( 17.875 1.384 0.134) 17.929 22.010 ( 15.451 -14.632 1.822) 21.358 24.758 ( -37.454 -1.945 0.687) 37.510 24.884 ( -35.725 -3.675 -0.633) 35.919 27.870 ( 6.235 -0.453 1.660) 6.468 27.933 ( 9.449 -0.648 -1.105) 9.535 ======================= Grid point 24 (18/95) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -12.218 14.149 -6.214) 19.700 1.033 ( -14.045 14.319 3.723) 20.400 1.571 ( -7.673 6.241 1.595) 10.019 1.627 ( 2.605 13.352 -0.059) 13.604 1.803 ( -1.107 -2.047 -0.449) 2.370 1.877 ( 2.361 5.891 1.514) 6.525 1.947 ( 0.456 7.899 4.611) 9.157 2.029 ( 1.351 4.021 -8.102) 9.145 2.097 ( -2.200 4.979 -1.524) 5.652 2.167 ( -1.707 5.485 5.207) 7.753 2.249 ( 2.089 5.431 2.501) 6.333 2.335 ( -0.612 2.669 0.088) 2.739 2.347 ( -2.194 0.948 -4.936) 5.484 2.390 ( -0.911 0.882 2.956) 3.217 2.695 ( 2.544 -8.024 2.738) 8.852 2.777 ( 1.902 -6.637 -0.768) 6.947 2.881 ( 5.030 -4.466 -0.913) 6.788 2.981 ( 4.740 0.011 -3.203) 5.721 3.047 ( -1.174 -2.205 1.799) 3.078 3.074 ( -2.388 3.195 0.030) 3.989 3.168 ( 4.754 0.154 0.321) 4.767 3.265 ( 1.455 0.529 -2.585) 3.013 3.290 ( 5.151 4.326 -1.551) 6.903 3.451 ( -2.476 1.729 3.280) 4.458 3.651 ( -2.612 -1.751 -2.643) 4.108 3.694 ( -3.648 -1.026 1.767) 4.181 3.845 ( 5.816 -2.265 -0.340) 6.250 3.899 ( 3.854 -9.463 1.632) 10.347 3.983 ( -5.721 -0.882 -0.363) 5.800 4.131 ( 0.272 0.465 -1.081) 1.207 4.176 ( 2.661 -0.008 -1.332) 2.976 4.258 ( -5.715 -3.273 3.548) 7.481 4.482 ( -1.686 0.220 -1.629) 2.355 4.598 ( -11.063 -1.481 2.612) 11.463 4.986 ( -3.719 -5.225 4.054) 7.587 5.266 ( -18.541 -0.952 -0.409) 18.570 5.448 ( -0.445 -9.057 -7.116) 11.526 5.636 ( -12.751 -2.091 -4.228) 13.596 5.889 ( -12.763 0.603 5.212) 13.800 6.165 ( -4.872 0.817 -4.419) 6.628 7.170 ( -6.487 -6.947 11.439) 14.873 7.371 ( -2.325 -0.941 -5.857) 6.372 7.516 ( -1.563 -3.490 -4.541) 5.937 7.698 ( -4.084 0.532 0.960) 4.229 7.824 ( -1.304 -3.216 -7.925) 8.651 8.009 ( 5.297 -0.106 13.146) 14.173 8.777 ( 5.521 3.321 0.429) 6.457 8.861 ( -19.262 -3.186 -4.742) 20.091 9.313 ( 7.721 4.501 5.622) 10.559 9.387 ( -0.540 -0.413 1.808) 1.931 9.637 ( -6.302 4.399 -1.118) 7.766 9.827 ( -5.536 2.401 -3.962) 7.219 9.880 ( -4.080 2.242 -1.407) 4.864 10.547 ( -3.571 6.178 1.819) 7.364 10.627 ( 3.915 -5.838 -10.616) 12.732 10.802 ( -6.431 -5.524 4.704) 9.695 10.874 ( -7.030 -6.948 5.154) 11.147 11.428 ( -0.624 -6.547 -1.474) 6.740 13.288 ( -1.918 0.196 -0.763) 2.074 13.524 ( 1.935 0.069 1.267) 2.314 19.858 ( 2.537 8.985 0.731) 9.365 19.945 ( -0.595 4.366 0.352) 4.420 20.141 ( 1.364 9.567 -1.696) 9.811 20.749 ( 0.057 4.919 2.606) 5.567 21.647 ( 16.862 -9.537 -4.386) 19.863 21.680 ( 25.317 2.616 -0.327) 25.454 22.164 ( 21.622 -0.264 -1.336) 21.665 22.397 ( 7.864 -16.535 3.181) 18.584 24.078 ( -37.830 -0.952 -0.062) 37.842 24.258 ( -34.022 -1.541 0.485) 34.060 27.957 ( 2.616 -0.423 1.952) 3.291 28.082 ( 5.831 -0.830 -1.106) 5.993 ======================= Grid point 25 (19/95) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -0.000 16.640 0.000) 16.640 0.721 ( -0.000 18.277 0.000) 18.277 1.374 ( -0.000 7.399 0.000) 7.399 1.444 ( -0.000 28.490 0.000) 28.490 1.778 ( -0.000 12.331 0.000) 12.331 1.825 ( -0.000 1.489 0.000) 1.489 1.871 ( -0.000 10.216 0.000) 10.216 1.991 ( -0.000 6.120 0.000) 6.120 2.071 ( -0.000 11.124 0.000) 11.124 2.114 ( -0.000 3.339 0.000) 3.339 2.173 ( 0.000 -6.615 -0.000) 6.615 2.296 ( -0.000 2.542 0.000) 2.542 2.378 ( 0.000 -2.470 -0.000) 2.470 2.475 ( 0.000 -8.977 -0.000) 8.977 2.774 ( -0.000 0.837 0.000) 0.837 2.817 ( 0.000 -4.626 -0.000) 4.626 2.985 ( 0.000 -3.836 -0.000) 3.836 3.006 ( 0.000 -0.115 -0.000) 0.115 3.069 ( 0.000 -8.982 -0.000) 8.982 3.081 ( 0.000 -2.478 -0.000) 2.478 3.222 ( -0.000 1.931 0.000) 1.931 3.250 ( -0.000 0.083 0.000) 0.083 3.376 ( 0.000 0.132 0.000) 0.132 3.376 ( 0.000 2.018 0.000) 2.018 3.619 ( -0.000 0.017 0.000) 0.017 3.627 ( -0.000 2.980 0.000) 2.980 3.886 ( 0.000 -2.556 -0.000) 2.556 4.019 ( 0.000 -7.820 -0.000) 7.820 4.071 ( 0.000 -10.036 -0.000) 10.036 4.113 ( -0.000 2.227 0.000) 2.227 4.215 ( 0.000 -3.566 -0.000) 3.566 4.257 ( 0.000 -0.776 -0.000) 0.776 4.391 ( -0.000 0.295 0.000) 0.295 4.487 ( -0.000 3.847 0.000) 3.847 5.011 ( 0.000 -4.588 -0.000) 4.588 5.074 ( -0.000 0.415 0.000) 0.415 5.469 ( 0.000 -4.178 -0.000) 4.178 5.664 ( 0.000 -10.225 -0.000) 10.225 5.695 ( -0.000 3.495 0.000) 3.495 6.103 ( -0.000 2.262 0.000) 2.262 7.156 ( 0.000 -8.308 -0.000) 8.308 7.429 ( 0.000 -3.946 -0.000) 3.946 7.515 ( 0.000 -4.312 -0.000) 4.312 7.643 ( -0.000 0.898 0.000) 0.898 7.853 ( 0.000 -6.032 -0.000) 6.032 8.105 ( -0.000 4.691 0.000) 4.691 8.595 ( 0.000 -0.576 -0.000) 0.576 8.823 ( -0.000 2.333 0.000) 2.333 9.301 ( -0.000 7.732 0.000) 7.732 9.413 ( -0.000 3.473 0.000) 3.473 9.525 ( -0.000 1.975 0.000) 1.975 9.750 ( 0.000 -0.212 -0.000) 0.212 9.849 ( -0.000 0.334 0.000) 0.334 10.391 ( -0.000 12.534 0.000) 12.534 10.743 ( 0.000 -4.854 -0.000) 4.854 10.792 ( 0.000 -3.080 -0.000) 3.080 10.900 ( 0.000 -14.039 -0.000) 14.039 11.483 ( 0.000 -6.009 -0.000) 6.009 13.268 ( -0.000 0.530 0.000) 0.530 13.554 ( 0.000 -1.347 -0.000) 1.347 19.791 ( -0.000 9.636 0.000) 9.636 19.891 ( -0.000 4.814 0.000) 4.814 20.077 ( -0.000 6.887 0.000) 6.887 20.702 ( -0.000 4.964 0.000) 4.964 21.874 ( 0.000 -13.822 -0.000) 13.822 22.310 ( 0.000 -16.409 -0.000) 16.409 22.380 ( 0.000 -0.564 -0.000) 0.564 22.456 ( 0.000 -2.845 -0.000) 2.845 23.597 ( -0.000 3.885 0.000) 3.885 23.872 ( -0.000 3.290 0.000) 3.290 27.978 ( -0.000 0.094 0.000) 0.094 28.146 ( 0.000 -0.894 -0.000) 0.894 ======================= Grid point 30 (20/95) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 2.862 -0.000 2.168) 3.591 1.380 ( 1.858 -0.000 -0.478) 1.918 1.675 ( 0.194 -0.000 2.803) 2.809 1.684 ( 7.562 -0.000 -6.468) 9.951 1.876 ( 9.568 -0.000 -1.653) 9.710 1.890 ( -3.818 0.000 -2.486) 4.556 1.962 ( -8.919 0.000 -1.386) 9.026 2.132 ( 6.776 -0.000 1.138) 6.871 2.146 ( -7.079 0.000 5.188) 8.777 2.228 ( 2.112 -0.000 0.138) 2.116 2.316 ( 4.800 -0.000 -1.210) 4.951 2.363 ( -7.227 0.000 0.393) 7.238 2.380 ( -0.993 0.000 1.482) 1.784 2.621 ( 0.488 -0.000 -5.133) 5.157 2.626 ( 6.124 -0.000 0.089) 6.125 2.666 ( -0.289 0.000 1.491) 1.519 2.830 ( 0.372 -0.000 0.962) 1.031 2.934 ( -1.128 0.000 -8.964) 9.035 3.023 ( -2.060 0.000 4.505) 4.953 3.058 ( 3.256 -0.000 -0.763) 3.344 3.176 ( -2.603 0.000 2.081) 3.333 3.238 ( 6.996 -0.000 5.418) 8.848 3.274 ( 1.120 -0.000 5.415) 5.530 3.489 ( 3.670 -0.000 -2.837) 4.638 3.643 ( -2.480 0.000 -2.315) 3.393 3.661 ( -8.402 0.000 0.774) 8.438 3.758 ( -4.706 0.000 -0.415) 4.724 3.945 ( 3.592 -0.000 0.377) 3.612 4.027 ( -3.270 0.000 -0.690) 3.342 4.199 ( -4.663 0.000 -2.667) 5.372 4.253 ( -2.672 0.000 0.728) 2.769 4.270 ( 4.586 -0.000 0.919) 4.677 4.572 ( -1.996 0.000 2.297) 3.043 4.685 ( -2.226 0.000 -0.950) 2.420 5.148 ( -15.432 0.000 3.319) 15.785 5.478 ( -9.589 0.000 -2.952) 10.033 5.963 ( -5.065 0.000 -5.377) 7.387 6.027 ( -6.966 0.000 0.962) 7.032 6.639 ( -30.865 0.000 -2.777) 30.990 6.656 ( -22.799 0.000 5.307) 23.409 7.327 ( 0.696 -0.000 -8.017) 8.047 7.416 ( -6.580 0.000 2.127) 6.915 7.642 ( 2.682 -0.000 12.687) 12.967 7.803 ( -7.786 0.000 -6.288) 10.008 7.849 ( -1.474 0.000 1.314) 1.975 8.080 ( -5.618 0.000 -3.580) 6.662 8.611 ( 4.393 -0.000 10.539) 11.418 8.662 ( 24.210 -0.000 -7.107) 25.232 9.393 ( -10.215 0.000 8.121) 13.049 9.441 ( -2.180 0.000 -4.405) 4.915 9.977 ( 0.085 -0.000 -0.888) 0.892 10.145 ( -0.487 0.000 -17.721) 17.728 10.322 ( -9.996 0.000 2.977) 10.430 10.397 ( -10.803 0.000 0.884) 10.840 10.662 ( -3.829 0.000 17.024) 17.449 11.029 ( -5.167 0.000 -6.557) 8.348 11.186 ( -9.963 0.000 4.726) 11.027 11.365 ( -7.020 0.000 -6.298) 9.431 13.436 ( 2.868 -0.000 5.280) 6.008 13.450 ( -4.879 0.000 -4.421) 6.584 19.912 ( 2.208 -0.000 -1.979) 2.965 19.929 ( 5.463 -0.000 3.692) 6.594 20.338 ( 10.269 -0.000 -5.994) 11.890 20.680 ( 4.796 -0.000 4.488) 6.568 21.021 ( 6.172 -0.000 6.536) 8.990 21.106 ( 15.728 -0.000 -6.233) 16.918 21.575 ( 2.920 -0.000 -5.449) 6.182 21.616 ( 9.020 -0.000 4.728) 10.184 25.346 ( -29.930 0.000 2.537) 30.037 25.422 ( -28.649 0.000 -2.709) 28.777 27.733 ( 10.618 -0.000 -2.217) 10.847 27.744 ( 6.848 -0.000 2.571) 7.315 ======================= Grid point 32 (21/95) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 3.093 5.865 -2.064) 6.944 1.464 ( 7.003 -2.344 -0.239) 7.389 1.578 ( -7.501 8.533 2.369) 11.606 1.698 ( -4.814 -4.207 3.002) 7.063 1.802 ( 1.668 -1.843 -1.988) 3.183 1.955 ( -0.835 1.471 -2.766) 3.242 1.991 ( -1.324 4.548 0.462) 4.759 2.065 ( 1.508 -4.302 0.274) 4.567 2.200 ( -2.501 4.679 1.995) 5.668 2.208 ( -0.921 0.505 -0.354) 1.108 2.272 ( -0.874 -3.777 -0.695) 3.938 2.380 ( 2.149 -1.871 2.651) 3.892 2.438 ( 4.496 -2.039 -2.830) 5.691 2.565 ( -3.324 2.683 2.292) 4.848 2.638 ( 0.959 4.276 1.441) 4.613 2.722 ( 1.825 -1.945 0.153) 2.671 2.826 ( 0.192 3.509 -4.391) 5.624 2.874 ( -2.410 1.381 -7.162) 7.682 3.034 ( 1.402 -1.707 3.484) 4.125 3.096 ( 3.364 1.455 0.703) 3.732 3.162 ( 1.041 1.768 -0.325) 2.077 3.298 ( 5.384 5.220 4.070) 8.532 3.344 ( -0.604 -2.167 1.624) 2.775 3.509 ( 0.751 -0.821 1.660) 1.999 3.567 ( 0.104 -2.604 -0.785) 2.722 3.647 ( -2.502 -4.905 -1.416) 5.686 3.671 ( -2.655 4.403 -0.431) 5.160 3.970 ( -0.990 2.822 0.389) 3.016 4.010 ( 0.576 -1.282 -1.227) 1.865 4.111 ( -4.602 -1.320 -6.940) 8.431 4.182 ( -2.254 0.438 5.432) 5.897 4.317 ( -1.902 0.212 4.077) 4.504 4.500 ( -4.825 -0.780 -0.066) 4.888 4.669 ( -3.475 -2.447 -0.416) 4.271 4.925 ( -9.439 -4.316 3.470) 10.944 5.308 ( -8.085 -1.995 -3.725) 9.123 5.736 ( -26.257 0.339 4.786) 26.692 5.827 ( -11.742 -1.728 -11.313) 16.397 6.216 ( -14.735 3.180 -0.587) 15.086 6.273 ( -15.155 -2.514 1.568) 15.442 7.231 ( -11.098 0.105 8.694) 14.099 7.356 ( 0.260 -2.580 -5.759) 6.315 7.602 ( -11.000 1.626 -9.661) 14.730 7.754 ( 7.507 -0.201 11.634) 13.847 7.799 ( -4.165 -0.153 1.495) 4.428 7.942 ( -9.111 -2.801 -3.390) 10.116 8.745 ( 8.803 2.113 6.791) 11.317 9.018 ( 10.531 0.596 -10.770) 15.075 9.182 ( -8.532 -1.787 10.674) 13.781 9.407 ( -2.777 -1.650 -1.886) 3.740 9.889 ( -5.283 4.607 0.296) 7.016 10.088 ( -8.568 4.160 -7.935) 12.397 10.153 ( -10.110 5.749 1.734) 11.759 10.260 ( 1.758 -8.669 -8.036) 11.950 10.611 ( -5.233 -4.845 13.960) 15.676 10.892 ( -8.489 -0.816 -7.069) 11.077 11.001 ( -9.336 1.561 6.319) 11.381 11.301 ( -2.343 -2.922 -3.937) 5.434 13.353 ( -4.947 0.152 -4.240) 6.517 13.491 ( 2.749 0.046 4.629) 5.384 19.949 ( 2.771 1.519 -1.596) 3.540 20.025 ( 5.333 2.539 3.705) 6.972 20.421 ( 4.551 9.921 -4.817) 11.931 20.784 ( 2.846 -3.817 3.029) 5.644 21.138 ( 7.253 -4.035 2.539) 8.680 21.407 ( 16.897 1.825 -4.325) 17.537 21.782 ( 16.716 -4.690 -1.038) 17.393 21.852 ( 16.444 -0.353 2.208) 16.596 24.741 ( -35.933 -0.116 1.897) 35.983 24.828 ( -36.205 -1.857 -1.933) 36.304 27.868 ( 6.137 0.019 1.947) 6.439 27.922 ( 9.491 -0.407 -1.589) 9.632 ======================= Grid point 33 (22/95) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -9.109 13.340 -4.956) 16.897 1.295 ( -10.183 13.087 4.147) 17.092 1.670 ( -3.535 -2.080 4.277) 5.926 1.698 ( -7.899 -2.957 0.242) 8.438 1.755 ( 10.924 -0.929 -0.386) 10.970 1.895 ( 1.973 2.894 -2.719) 4.434 2.030 ( 0.776 1.031 -3.085) 3.344 2.086 ( 3.632 -4.814 4.000) 7.236 2.128 ( 1.702 6.106 -0.052) 6.339 2.226 ( 1.389 1.638 1.285) 2.502 2.338 ( 1.220 2.814 -4.275) 5.262 2.384 ( -1.731 2.337 -0.045) 2.909 2.436 ( -1.628 -3.407 2.566) 4.565 2.518 ( 0.554 6.102 4.295) 7.482 2.605 ( -4.075 9.661 -2.022) 10.679 2.717 ( -1.015 0.001 -2.114) 2.345 2.784 ( 3.795 -4.811 -0.101) 6.128 2.940 ( 2.721 -4.010 -2.437) 5.425 3.040 ( 0.333 1.797 -0.040) 1.828 3.164 ( 1.961 1.771 2.805) 3.854 3.171 ( 4.502 2.785 -1.964) 5.646 3.313 ( -1.771 3.271 0.697) 3.784 3.363 ( 6.459 3.455 -0.463) 7.339 3.528 ( -1.573 3.811 1.627) 4.432 3.579 ( 0.572 -4.021 -2.172) 4.606 3.639 ( -1.444 -2.069 1.005) 2.716 3.681 ( -0.748 -10.569 1.121) 10.654 3.905 ( -0.342 4.162 1.572) 4.462 3.966 ( -6.127 -0.471 -2.392) 6.594 4.092 ( -0.684 -4.289 -3.507) 5.583 4.186 ( -0.098 0.843 2.118) 2.282 4.216 ( -2.655 -0.997 3.822) 4.759 4.476 ( -1.823 -0.143 -1.247) 2.214 4.564 ( -8.118 -2.416 1.124) 8.544 4.875 ( -2.755 -5.737 2.817) 6.960 5.252 ( -12.381 -1.450 0.162) 12.467 5.295 ( -8.441 -5.420 -3.075) 10.492 5.592 ( -12.739 -2.073 -8.109) 15.243 5.928 ( -12.320 2.508 6.651) 14.224 6.172 ( -2.365 0.006 -5.443) 5.934 7.059 ( -9.890 -4.295 11.416) 15.703 7.365 ( -0.609 -0.168 -5.384) 5.421 7.455 ( -3.507 -2.554 -6.641) 7.932 7.708 ( -4.598 0.437 0.726) 4.676 7.781 ( -5.543 -1.397 -4.938) 7.554 7.983 ( 10.607 -1.977 12.584) 16.576 8.802 ( -16.442 -0.977 -1.784) 16.567 8.858 ( 2.635 2.567 0.440) 3.705 9.346 ( 11.810 -0.545 -0.116) 11.823 9.383 ( -0.599 0.011 1.196) 1.338 9.738 ( -6.260 6.308 1.691) 9.046 9.883 ( -8.873 0.901 -6.161) 10.840 9.962 ( -3.658 7.531 1.051) 8.438 10.409 ( 3.173 -11.972 -10.126) 15.997 10.579 ( -4.030 -5.420 10.400) 12.401 10.772 ( -4.088 1.562 1.613) 4.664 10.839 ( -6.288 2.456 0.171) 6.752 11.308 ( -1.234 -5.595 -1.785) 6.001 13.279 ( -3.010 -0.768 -2.507) 3.992 13.534 ( 2.085 0.778 2.648) 3.459 19.974 ( 2.020 2.542 -1.199) 3.461 20.057 ( 2.856 7.351 2.908) 8.405 20.356 ( 1.021 12.237 -2.703) 12.574 20.817 ( 0.313 1.672 1.667) 2.382 21.361 ( 5.996 -14.294 0.741) 15.518 21.719 ( 18.060 -1.924 -3.098) 18.424 22.162 ( 18.616 -2.775 1.042) 18.850 22.191 ( 17.520 -2.827 0.258) 17.748 24.091 ( -33.172 1.970 0.348) 33.232 24.215 ( -31.485 -2.943 -0.194) 31.623 27.954 ( 3.169 0.025 1.276) 3.416 28.066 ( 5.534 -0.759 -0.955) 5.667 ======================= Grid point 34 (23/95) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -0.000 16.044 0.000) 16.044 1.046 ( -0.000 15.968 0.000) 15.968 1.511 ( -0.000 6.055 0.000) 6.055 1.743 ( 0.000 -6.624 -0.000) 6.624 1.792 ( -0.000 10.720 0.000) 10.720 1.994 ( 0.000 -6.842 -0.000) 6.842 1.996 ( -0.000 6.323 0.000) 6.323 2.076 ( -0.000 9.484 0.000) 9.484 2.188 ( -0.000 10.863 0.000) 10.863 2.208 ( -0.000 5.024 0.000) 5.024 2.281 ( 0.000 -9.856 -0.000) 9.856 2.346 ( -0.000 3.476 0.000) 3.476 2.390 ( -0.000 16.256 0.000) 16.256 2.396 ( -0.000 5.480 0.000) 5.480 2.608 ( 0.000 -12.811 -0.000) 12.811 2.730 ( 0.000 -4.542 -0.000) 4.542 2.888 ( 0.000 -5.420 -0.000) 5.420 2.983 ( 0.000 -3.230 -0.000) 3.230 3.050 ( 0.000 -0.396 -0.000) 0.396 3.107 ( -0.000 8.829 0.000) 8.829 3.235 ( 0.000 -1.006 -0.000) 1.006 3.263 ( -0.000 2.488 0.000) 2.488 3.425 ( -0.000 2.271 0.000) 2.271 3.438 ( -0.000 6.326 0.000) 6.326 3.614 ( 0.000 -0.508 -0.000) 0.508 3.640 ( 0.000 -3.376 -0.000) 3.376 3.765 ( 0.000 -10.773 -0.000) 10.773 3.906 ( 0.000 -1.912 -0.000) 1.912 3.928 ( 0.000 -3.895 -0.000) 3.895 4.131 ( 0.000 -5.391 -0.000) 5.391 4.152 ( -0.000 1.630 0.000) 1.630 4.248 ( -0.000 0.188 0.000) 0.188 4.392 ( 0.000 -0.272 -0.000) 0.272 4.526 ( -0.000 0.147 0.000) 0.147 4.910 ( 0.000 -5.790 -0.000) 5.790 5.075 ( 0.000 -0.305 -0.000) 0.305 5.349 ( 0.000 -8.135 -0.000) 8.135 5.515 ( 0.000 -4.904 -0.000) 4.904 5.766 ( -0.000 3.673 0.000) 3.673 6.140 ( -0.000 1.603 0.000) 1.603 7.008 ( 0.000 -6.620 -0.000) 6.620 7.388 ( 0.000 -0.734 -0.000) 0.734 7.442 ( 0.000 -3.813 -0.000) 3.813 7.656 ( -0.000 0.485 0.000) 0.485 7.751 ( 0.000 -4.253 -0.000) 4.253 8.147 ( -0.000 0.348 0.000) 0.348 8.576 ( 0.000 -1.225 -0.000) 1.225 8.876 ( -0.000 3.133 0.000) 3.133 9.373 ( -0.000 1.031 0.000) 1.031 9.521 ( 0.000 -1.949 -0.000) 1.949 9.549 ( -0.000 9.188 0.000) 9.188 9.786 ( -0.000 2.328 0.000) 2.328 9.877 ( -0.000 3.990 0.000) 3.990 10.565 ( -0.000 1.168 0.000) 1.168 10.581 ( 0.000 -16.003 -0.000) 16.003 10.696 ( -0.000 4.337 0.000) 4.337 10.773 ( 0.000 -1.850 -0.000) 1.850 11.357 ( 0.000 -6.879 -0.000) 6.879 13.261 ( 0.000 -1.097 -0.000) 1.097 13.548 ( -0.000 0.588 0.000) 0.588 19.969 ( -0.000 3.121 0.000) 3.121 19.991 ( -0.000 10.837 0.000) 10.837 20.251 ( -0.000 11.349 0.000) 11.349 20.791 ( -0.000 3.930 0.000) 3.930 21.571 ( 0.000 -17.107 -0.000) 17.107 22.017 ( 0.000 -14.065 -0.000) 14.065 22.373 ( 0.000 -0.221 -0.000) 0.221 22.417 ( 0.000 -1.422 -0.000) 1.422 23.679 ( -0.000 4.781 0.000) 4.781 23.897 ( 0.000 -0.684 -0.000) 0.684 27.981 ( -0.000 0.192 0.000) 0.192 28.126 ( 0.000 -1.050 -0.000) 1.050 ======================= Grid point 41 (24/95) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -8.881 0.000 -3.687) 9.616 1.490 ( -11.975 0.000 4.485) 12.787 1.554 ( 1.662 -0.000 0.099) 1.665 1.585 ( -2.191 0.000 1.466) 2.637 1.816 ( 8.651 -0.000 -1.241) 8.740 1.947 ( -1.874 0.000 1.352) 2.311 1.978 ( -0.564 0.000 3.199) 3.249 2.053 ( 2.881 -0.000 -2.821) 4.032 2.208 ( 3.004 -0.000 -0.494) 3.044 2.265 ( 4.429 -0.000 0.466) 4.453 2.268 ( 0.330 -0.000 1.054) 1.105 2.408 ( 1.213 -0.000 1.610) 2.015 2.443 ( -3.778 0.000 -5.279) 6.491 2.607 ( 4.506 -0.000 3.606) 5.771 2.675 ( -5.390 0.000 -2.029) 5.760 2.711 ( -0.793 0.000 3.363) 3.456 2.790 ( -0.817 0.000 -6.800) 6.849 2.871 ( 1.182 -0.000 -1.192) 1.679 3.088 ( 4.114 -0.000 0.502) 4.144 3.156 ( 3.902 -0.000 1.130) 4.063 3.229 ( 3.703 -0.000 -2.093) 4.254 3.333 ( 0.159 -0.000 2.503) 2.508 3.439 ( 4.777 -0.000 2.555) 5.417 3.494 ( -2.961 0.000 -0.131) 2.964 3.502 ( -0.259 0.000 1.420) 1.444 3.622 ( 0.083 -0.000 -0.468) 0.475 3.643 ( -3.109 0.000 -0.609) 3.168 3.959 ( -2.180 0.000 1.143) 2.462 3.964 ( -5.203 0.000 -0.805) 5.264 4.024 ( -3.095 0.000 -4.729) 5.652 4.201 ( -5.134 0.000 3.537) 6.234 4.204 ( 3.841 -0.000 2.400) 4.529 4.486 ( 1.424 -0.000 0.080) 1.426 4.524 ( -10.414 0.000 -0.613) 10.432 4.813 ( -2.084 0.000 2.423) 3.196 5.215 ( -1.014 0.000 -3.729) 3.865 5.265 ( -21.141 0.000 1.979) 21.234 5.571 ( -12.515 0.000 -9.314) 15.601 5.956 ( -12.638 0.000 7.589) 14.741 6.171 ( -0.944 0.000 -6.005) 6.079 7.018 ( -10.677 0.000 11.391) 15.613 7.360 ( 0.845 -0.000 -3.840) 3.931 7.433 ( -5.807 0.000 -8.900) 10.626 7.712 ( -4.545 0.000 0.160) 4.548 7.769 ( -7.335 0.000 -3.586) 8.165 7.960 ( 12.918 -0.000 12.372) 17.887 8.790 ( -18.891 0.000 -2.132) 19.011 8.889 ( 5.031 -0.000 2.151) 5.472 9.334 ( 11.856 -0.000 -2.086) 12.038 9.384 ( -0.221 0.000 0.782) 0.813 9.831 ( -3.135 0.000 -1.831) 3.630 9.866 ( -12.975 0.000 0.492) 12.984 10.086 ( -3.846 0.000 2.155) 4.408 10.241 ( 0.935 -0.000 -10.453) 10.495 10.517 ( -2.565 0.000 9.700) 10.034 10.775 ( -3.409 0.000 -4.278) 5.470 10.888 ( -4.398 0.000 5.072) 6.713 11.247 ( -1.902 0.000 -2.561) 3.191 13.270 ( -3.378 0.000 -3.114) 4.595 13.543 ( 2.212 -0.000 3.106) 3.813 19.995 ( 1.690 -0.000 -0.879) 1.905 20.137 ( 4.348 -0.000 2.850) 5.199 20.512 ( 0.302 -0.000 -3.872) 3.884 20.812 ( 2.157 -0.000 1.614) 2.694 21.207 ( 3.993 -0.000 1.064) 4.132 21.682 ( 11.149 -0.000 -1.383) 11.234 22.122 ( 21.416 -0.000 -0.187) 21.417 22.188 ( 18.582 -0.000 0.556) 18.590 24.129 ( -29.603 0.000 1.722) 29.653 24.168 ( -32.684 0.000 -1.662) 32.727 27.955 ( 3.287 -0.000 1.154) 3.484 28.058 ( 5.444 -0.000 -0.941) 5.525 ======================= Grid point 43 (25/95) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -0.000 10.568 0.000) 10.568 1.304 ( -0.000 10.393 0.000) 10.393 1.534 ( 0.000 -4.077 -0.000) 4.077 1.617 ( 0.000 -5.810 -0.000) 5.810 1.905 ( -0.000 2.193 0.000) 2.193 1.935 ( -0.000 2.441 0.000) 2.441 2.066 ( -0.000 2.367 0.000) 2.367 2.089 ( 0.000 -8.727 -0.000) 8.727 2.223 ( -0.000 4.697 0.000) 4.697 2.256 ( -0.000 1.553 0.000) 1.553 2.352 ( 0.000 -7.391 -0.000) 7.391 2.363 ( -0.000 5.209 0.000) 5.209 2.391 ( -0.000 3.106 0.000) 3.106 2.614 ( -0.000 8.032 0.000) 8.032 2.623 ( -0.000 0.363 0.000) 0.363 2.637 ( -0.000 0.296 0.000) 0.296 2.820 ( 0.000 -1.602 -0.000) 1.602 2.905 ( 0.000 -4.479 -0.000) 4.479 3.104 ( -0.000 5.871 0.000) 5.871 3.220 ( 0.000 -0.819 -0.000) 0.819 3.247 ( -0.000 4.691 0.000) 4.691 3.310 ( -0.000 1.946 0.000) 1.946 3.459 ( -0.000 1.786 0.000) 1.786 3.528 ( 0.000 -6.026 -0.000) 6.026 3.531 ( 0.000 -6.950 -0.000) 6.950 3.578 ( -0.000 3.708 0.000) 3.708 3.622 ( 0.000 -0.480 -0.000) 0.480 3.893 ( 0.000 -0.199 -0.000) 0.199 3.928 ( -0.000 1.873 0.000) 1.873 4.023 ( 0.000 -5.112 -0.000) 5.112 4.169 ( -0.000 0.286 0.000) 0.286 4.267 ( -0.000 1.269 0.000) 1.269 4.384 ( 0.000 -0.395 -0.000) 0.395 4.507 ( 0.000 -1.365 -0.000) 1.365 4.816 ( 0.000 -3.232 -0.000) 3.232 5.066 ( 0.000 -0.484 -0.000) 0.484 5.226 ( 0.000 -3.693 -0.000) 3.693 5.460 ( 0.000 -1.348 -0.000) 1.348 5.820 ( -0.000 1.697 0.000) 1.697 6.161 ( -0.000 0.582 0.000) 0.582 6.923 ( 0.000 -2.300 -0.000) 2.300 7.379 ( 0.000 -2.256 -0.000) 2.256 7.386 ( -0.000 0.158 0.000) 0.158 7.664 ( -0.000 0.322 0.000) 0.322 7.700 ( 0.000 -1.355 -0.000) 1.355 8.141 ( 0.000 -0.494 -0.000) 0.494 8.557 ( 0.000 -0.580 -0.000) 0.580 8.927 ( -0.000 1.692 0.000) 1.692 9.382 ( -0.000 0.157 0.000) 0.157 9.483 ( 0.000 -1.389 -0.000) 1.389 9.687 ( -0.000 4.323 0.000) 4.323 9.803 ( -0.000 0.112 0.000) 0.112 10.005 ( -0.000 7.890 0.000) 7.890 10.306 ( 0.000 -11.743 -0.000) 11.743 10.513 ( 0.000 -2.619 -0.000) 2.619 10.751 ( 0.000 -0.536 -0.000) 0.536 10.825 ( -0.000 5.154 0.000) 5.154 11.246 ( 0.000 -4.005 -0.000) 4.005 13.241 ( 0.000 -0.690 -0.000) 0.690 13.563 ( -0.000 0.559 0.000) 0.559 20.006 ( -0.000 0.953 0.000) 0.953 20.155 ( -0.000 5.266 0.000) 5.266 20.463 ( -0.000 8.863 0.000) 8.863 20.833 ( -0.000 0.353 0.000) 0.353 21.295 ( 0.000 -9.765 -0.000) 9.765 21.816 ( 0.000 -6.119 -0.000) 6.119 22.371 ( 0.000 -0.037 -0.000) 0.037 22.400 ( 0.000 -0.462 -0.000) 0.462 23.772 ( -0.000 4.868 0.000) 4.868 23.854 ( 0.000 -3.576 -0.000) 3.576 27.984 ( -0.000 0.119 0.000) 0.119 28.111 ( 0.000 -0.496 -0.000) 0.496 ======================= Grid point 85 (26/95) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( -5.481 0.000 19.970) 20.708 0.428 ( 0.476 -0.000 21.615) 21.620 0.806 ( -2.220 0.000 39.515) 39.577 1.085 ( 1.278 -0.000 -11.793) 11.862 1.202 ( 1.616 -0.000 -20.253) 20.318 1.671 ( -4.109 0.000 3.858) 5.636 1.812 ( 0.902 -0.000 2.946) 3.081 1.936 ( -0.893 0.000 13.328) 13.358 2.083 ( 2.860 -0.000 -9.217) 9.651 2.120 ( -2.236 0.000 2.825) 3.603 2.174 ( 0.679 -0.000 -4.343) 4.396 2.390 ( 2.087 -0.000 0.034) 2.087 2.552 ( -13.813 0.000 -0.219) 13.815 2.554 ( 1.811 -0.000 -16.555) 16.654 2.615 ( 5.628 -0.000 -0.525) 5.652 2.893 ( 1.536 -0.000 -5.074) 5.301 2.951 ( -1.092 0.000 -3.301) 3.477 3.046 ( 2.793 -0.000 2.264) 3.595 3.109 ( 4.076 -0.000 -3.852) 5.608 3.195 ( -5.322 0.000 -1.515) 5.533 3.214 ( 3.750 -0.000 2.977) 4.787 3.282 ( 0.520 -0.000 -2.014) 2.080 3.355 ( -1.859 0.000 -1.272) 2.253 3.358 ( 1.418 -0.000 -0.916) 1.688 3.643 ( -0.612 0.000 5.767) 5.800 3.670 ( -1.686 0.000 4.517) 4.821 3.815 ( 0.153 -0.000 10.571) 10.572 3.906 ( -1.655 0.000 0.688) 1.792 4.114 ( -2.240 0.000 -1.730) 2.830 4.178 ( 12.894 -0.000 -2.636) 13.160 4.293 ( 6.028 -0.000 1.657) 6.251 4.299 ( 2.556 -0.000 0.821) 2.685 4.443 ( -16.504 0.000 3.027) 16.780 4.655 ( -21.314 0.000 1.129) 21.344 5.058 ( -1.137 0.000 -2.750) 2.976 5.331 ( 5.873 -0.000 -12.466) 13.780 5.420 ( 23.460 -0.000 4.102) 23.815 5.667 ( 11.315 -0.000 -4.649) 12.233 5.860 ( -7.769 0.000 6.590) 10.188 6.028 ( -2.688 0.000 -0.434) 2.723 7.278 ( 0.758 -0.000 4.845) 4.904 7.407 ( -5.683 0.000 7.309) 9.258 7.591 ( -3.176 0.000 -5.876) 6.679 7.670 ( 10.685 -0.000 -9.218) 14.112 7.786 ( -2.588 0.000 6.045) 6.576 8.025 ( 1.286 -0.000 -0.870) 1.553 8.628 ( 10.122 -0.000 3.262) 10.634 8.760 ( -0.953 0.000 -1.906) 2.130 9.358 ( -2.223 0.000 1.049) 2.458 9.423 ( 4.730 -0.000 -1.935) 5.111 9.782 ( -0.917 0.000 0.038) 0.918 9.793 ( -5.304 0.000 -1.223) 5.443 9.953 ( -15.104 0.000 6.796) 16.563 10.105 ( 6.093 -0.000 0.931) 6.164 10.686 ( 2.759 -0.000 -9.287) 9.688 10.759 ( 1.271 -0.000 -7.942) 8.043 11.274 ( -4.860 0.000 13.500) 14.348 11.620 ( 2.911 -0.000 -3.696) 4.705 13.253 ( -1.328 0.000 2.031) 2.427 13.338 ( 1.268 -0.000 -1.511) 1.973 19.631 ( -1.647 0.000 2.990) 3.414 19.761 ( 1.149 -0.000 -2.483) 2.736 19.999 ( 0.717 -0.000 5.677) 5.722 20.324 ( 0.046 -0.000 -8.029) 8.029 22.160 ( -12.813 0.000 3.936) 13.404 22.264 ( 71.144 -0.000 -1.095) 71.153 22.612 ( 8.439 -0.000 5.286) 9.958 22.946 ( -59.220 0.000 -8.900) 59.885 23.551 ( -4.948 0.000 4.872) 6.944 23.705 ( 1.403 -0.000 -2.284) 2.680 28.145 ( -14.498 0.000 0.292) 14.501 28.159 ( 2.609 -0.000 -0.271) 2.623 ======================= Grid point 86 (27/95) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 9.715 -17.177 11.373) 22.777 0.700 ( 16.033 -4.910 16.337) 23.411 1.048 ( 19.139 -7.944 25.056) 32.515 1.278 ( 12.059 -1.484 -14.558) 18.962 1.322 ( 8.956 -5.820 -16.617) 19.753 1.611 ( 1.166 -2.147 3.670) 4.409 1.789 ( -2.498 -3.764 2.558) 5.191 1.910 ( 0.392 0.389 11.514) 11.527 2.104 ( 0.271 0.939 2.288) 2.488 2.138 ( 3.010 1.723 -1.949) 3.979 2.201 ( 0.776 -2.231 -2.372) 3.347 2.365 ( -1.006 -2.241 5.869) 6.363 2.391 ( -3.212 -0.689 3.086) 4.507 2.546 ( -1.226 1.565 -18.220) 18.328 2.595 ( -2.866 3.365 -1.884) 4.805 2.865 ( -1.434 1.630 -2.647) 3.423 2.952 ( -1.798 0.362 -4.696) 5.041 2.984 ( -6.221 1.749 -1.020) 6.543 3.025 ( -7.796 -1.976 -3.516) 8.777 3.145 ( -0.276 2.316 -0.612) 2.412 3.287 ( -1.530 4.834 -2.344) 5.586 3.324 ( 2.186 -0.291 0.182) 2.213 3.349 ( -0.700 3.739 -1.841) 4.226 3.388 ( 0.686 4.468 -4.622) 6.466 3.682 ( 2.383 -0.972 4.488) 5.174 3.745 ( 5.185 -6.546 -1.026) 8.413 3.856 ( 4.852 1.058 6.401) 8.101 3.954 ( 5.397 0.534 -2.062) 5.802 4.083 ( -1.810 0.491 -1.584) 2.454 4.118 ( -14.027 0.632 6.420) 15.439 4.243 ( -4.409 -4.232 0.814) 6.166 4.314 ( -12.019 -0.128 5.246) 13.115 4.462 ( 10.883 0.128 5.079) 12.010 4.529 ( 16.319 0.425 -9.542) 18.908 5.018 ( 0.731 0.547 -0.864) 1.257 5.551 ( 17.464 -0.906 -6.826) 18.772 5.669 ( 10.195 10.946 3.343) 15.328 5.768 ( 3.060 1.167 -0.430) 3.303 6.017 ( 16.644 3.400 4.168) 17.492 6.096 ( 10.749 -3.711 0.009) 11.371 7.147 ( -7.670 -3.646 3.783) 9.297 7.484 ( -1.869 1.605 -7.295) 7.700 7.595 ( 11.313 -3.001 -0.513) 11.715 7.735 ( 4.307 8.342 0.432) 9.398 7.866 ( -0.969 -1.121 3.858) 4.132 8.046 ( 2.201 -1.674 0.160) 2.770 8.642 ( -11.661 -2.594 -2.170) 12.141 8.906 ( 11.949 -0.021 -15.191) 19.328 9.349 ( -0.404 1.741 -2.125) 2.777 9.463 ( 0.925 1.476 0.712) 1.882 9.643 ( 5.107 14.693 9.508) 18.231 9.832 ( 5.717 -2.775 3.193) 7.112 9.908 ( 7.977 2.288 -0.067) 8.299 10.319 ( 8.405 -7.387 6.520) 12.951 10.709 ( 4.803 5.517 -12.375) 14.375 10.836 ( 4.936 -3.557 -7.782) 9.878 11.183 ( -5.637 1.014 12.187) 13.466 11.629 ( 1.196 2.786 -1.328) 3.309 13.246 ( 0.133 -0.577 1.489) 1.602 13.404 ( 2.001 -4.255 -2.431) 5.293 19.627 ( -0.063 -2.058 1.907) 2.807 19.798 ( 2.154 -1.742 -1.603) 3.201 20.009 ( -1.069 -2.168 5.896) 6.373 20.332 ( -2.947 -6.473 -9.778) 12.091 21.535 ( -45.206 -7.617 37.033) 58.933 21.738 ( -28.330 -0.551 -9.314) 29.827 22.492 ( -13.307 4.122 11.970) 18.367 22.866 ( -11.159 10.574 -20.706) 25.789 24.186 ( 39.140 -0.002 1.440) 39.166 24.288 ( 53.032 4.613 -12.240) 54.621 27.949 ( -5.176 -0.048 1.679) 5.442 28.133 ( -5.257 0.503 1.736) 5.559 ======================= Grid point 87 (28/95) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 13.253 -18.403 4.627) 23.145 1.025 ( 12.997 -7.293 10.733) 18.366 1.234 ( -2.138 0.795 -4.534) 5.076 1.462 ( 3.905 -7.885 -9.302) 12.805 1.664 ( 7.783 3.295 5.973) 10.349 1.673 ( 13.097 -10.593 -4.446) 17.422 1.912 ( 3.473 -0.030 4.689) 5.835 2.016 ( 11.611 -6.115 0.259) 13.126 2.093 ( 0.219 2.408 3.859) 4.554 2.166 ( 2.106 0.789 -0.154) 2.254 2.230 ( 0.205 -3.555 -0.249) 3.570 2.351 ( 1.371 -0.813 1.329) 2.075 2.399 ( -0.558 2.164 0.933) 2.422 2.502 ( 3.111 0.577 3.500) 4.719 2.588 ( 0.837 -5.055 -2.082) 5.530 2.716 ( -13.640 2.251 -1.700) 13.928 2.860 ( 1.787 3.957 -3.301) 5.454 2.954 ( -0.563 -2.863 -4.719) 5.549 2.999 ( 0.212 0.634 -7.086) 7.117 3.063 ( -4.357 3.478 0.036) 5.575 3.166 ( -5.550 4.743 -0.252) 7.305 3.244 ( -5.871 3.296 -3.575) 7.623 3.276 ( -2.984 3.035 0.014) 4.257 3.435 ( 5.863 -0.901 -1.630) 6.152 3.751 ( 3.855 -1.363 3.845) 5.613 3.795 ( -4.811 0.170 2.445) 5.400 3.852 ( -6.790 4.195 2.070) 8.245 3.951 ( 4.827 1.821 2.592) 5.773 4.044 ( 0.095 0.250 -2.794) 2.806 4.073 ( 0.379 -1.465 -2.172) 2.648 4.178 ( -3.098 -0.811 1.176) 3.411 4.239 ( -1.355 -4.258 0.566) 4.504 4.639 ( 6.981 1.145 5.685) 9.076 4.742 ( 7.893 1.398 -8.404) 11.614 5.135 ( 11.802 0.321 -0.558) 11.820 5.665 ( 1.548 4.239 1.929) 4.908 5.891 ( 12.722 6.959 1.861) 14.620 5.982 ( 25.086 -0.244 -4.095) 25.419 6.214 ( 14.851 2.495 4.627) 15.754 6.358 ( 7.725 -2.177 3.577) 8.787 7.182 ( 9.946 -0.056 -1.277) 10.027 7.430 ( -1.900 1.010 -9.653) 9.890 7.757 ( 5.388 5.839 0.900) 7.996 7.783 ( -1.093 1.746 6.012) 6.355 7.858 ( 8.243 0.896 -0.647) 8.317 8.095 ( 1.427 -4.745 6.696) 8.330 8.445 ( -12.536 -5.347 -3.008) 13.957 8.958 ( -7.280 -3.220 -1.924) 8.190 9.289 ( -1.222 5.250 -4.523) 7.036 9.523 ( 6.895 0.603 -7.543) 10.237 9.692 ( 10.882 8.203 3.438) 14.054 9.986 ( 6.156 -0.702 8.116) 10.211 10.088 ( 12.329 2.098 -1.622) 12.611 10.480 ( 2.782 -6.130 4.244) 7.958 10.790 ( 9.475 5.397 -7.192) 13.062 10.966 ( 7.066 0.205 -10.524) 12.678 11.086 ( -2.634 1.156 12.398) 12.727 11.628 ( 1.761 3.120 -0.377) 3.603 13.270 ( 1.671 -0.744 1.607) 2.435 13.472 ( 2.376 -2.113 -1.752) 3.631 19.663 ( 1.456 -2.544 0.866) 3.057 19.865 ( 2.294 -3.251 -1.084) 4.124 20.008 ( -2.399 -3.864 6.405) 7.855 20.323 ( -4.004 -6.267 -9.113) 11.762 21.136 ( -15.368 -8.593 20.321) 26.888 21.290 ( -20.922 -3.648 -10.690) 23.776 22.164 ( -16.124 7.788 11.593) 21.332 22.437 ( -20.697 10.751 -12.561) 26.490 24.888 ( 37.459 2.386 2.159) 37.597 25.021 ( 35.801 4.616 -4.996) 36.441 27.865 ( -5.110 0.568 -2.080) 5.546 27.978 ( -10.726 0.435 2.048) 10.928 ======================= Grid point 88 (29/95) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -2.030 -0.206 -0.236) 2.054 1.296 ( 9.007 -5.163 2.100) 10.592 1.308 ( 8.888 -14.350 -2.895) 17.126 1.539 ( 2.774 -4.606 0.713) 5.424 1.716 ( 2.603 2.825 -1.714) 4.206 1.864 ( 1.577 0.071 -4.495) 4.764 1.996 ( -0.164 -1.589 1.437) 2.148 2.037 ( 0.989 -1.548 2.917) 3.447 2.145 ( 3.916 -0.842 -0.717) 4.069 2.253 ( 0.797 1.885 1.581) 2.586 2.337 ( 4.320 -5.124 4.182) 7.900 2.423 ( -2.219 -2.993 -2.267) 4.362 2.469 ( 1.631 -3.029 -0.613) 3.494 2.485 ( -1.602 4.290 -0.239) 4.586 2.500 ( 3.187 -0.138 4.305) 5.358 2.729 ( 4.287 -5.144 2.716) 7.226 2.859 ( 1.992 3.220 0.786) 3.867 2.889 ( -5.041 3.642 1.249) 6.343 2.911 ( -4.852 -0.079 -0.309) 4.863 3.029 ( -2.561 0.886 -2.610) 3.762 3.104 ( 2.360 2.568 -2.814) 4.481 3.155 ( -0.443 -0.350 0.516) 0.765 3.248 ( 2.324 -2.450 -7.273) 8.019 3.523 ( -1.247 1.341 2.998) 3.513 3.652 ( -1.546 2.182 -2.725) 3.818 3.729 ( -3.343 4.778 -0.261) 5.837 3.855 ( 4.397 -2.716 1.055) 5.275 3.992 ( 1.039 0.709 1.317) 1.821 4.047 ( 1.893 1.353 0.030) 2.327 4.070 ( -1.401 -0.431 -4.003) 4.263 4.182 ( 1.712 0.041 1.260) 2.126 4.266 ( -0.327 -3.268 0.030) 3.284 4.692 ( 1.108 2.137 5.983) 6.449 4.803 ( 1.712 1.060 -6.013) 6.341 5.342 ( 10.017 1.409 0.209) 10.118 5.654 ( 1.391 4.045 -0.092) 4.278 5.993 ( 5.163 4.271 -0.900) 6.761 6.325 ( 0.154 0.083 8.957) 8.959 6.495 ( 25.742 0.228 -5.675) 26.362 6.652 ( 25.612 -1.808 1.477) 25.718 7.385 ( 8.041 2.077 -3.621) 9.060 7.399 ( 2.110 2.953 -4.695) 5.934 7.684 ( -5.858 1.067 6.429) 8.762 7.813 ( 3.400 1.611 0.490) 3.794 7.953 ( 3.274 0.648 2.222) 4.009 8.135 ( -3.929 -1.494 3.015) 5.172 8.406 ( 4.139 -5.802 -6.819) 9.864 8.731 ( -19.532 -2.029 6.614) 20.721 9.240 ( 1.685 4.082 -6.021) 7.467 9.645 ( 4.869 -4.014 -3.708) 7.320 9.875 ( 13.555 3.723 -6.860) 15.642 10.008 ( -0.920 5.412 6.721) 8.678 10.260 ( 6.117 -1.954 6.908) 9.431 10.584 ( 3.342 -2.060 -0.401) 3.946 10.854 ( 3.349 5.465 -1.412) 6.563 11.040 ( 4.357 1.585 -4.826) 6.692 11.159 ( 7.948 -0.774 3.796) 8.842 11.632 ( 1.361 2.135 -0.286) 2.548 13.315 ( 2.637 -0.057 2.255) 3.470 13.524 ( 1.546 -1.198 -1.836) 2.683 19.721 ( 2.657 -1.313 0.181) 2.970 19.922 ( 0.054 -3.216 -0.917) 3.345 20.005 ( -2.464 -4.666 5.947) 7.950 20.314 ( -1.547 -3.628 -5.691) 6.924 20.967 ( -11.342 -4.550 -5.608) 13.446 21.137 ( -3.173 -9.262 7.978) 12.630 21.807 ( -13.910 9.492 8.475) 18.852 21.969 ( -18.818 9.604 -9.066) 22.990 25.460 ( 27.877 3.165 1.209) 28.083 25.533 ( 24.372 2.054 -1.546) 24.507 27.746 ( -7.005 1.188 -2.365) 7.488 27.767 ( -11.333 -0.204 2.080) 11.524 ======================= Grid point 89 (30/95) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -0.568 0.065 -0.371) 0.681 1.415 ( 1.933 -1.773 -4.098) 4.866 1.465 ( 1.956 -2.964 1.791) 3.977 1.645 ( -2.565 2.020 0.210) 3.271 1.782 ( 8.020 -10.094 0.602) 12.907 1.900 ( 3.094 -0.530 0.403) 3.165 2.002 ( 0.474 -0.137 0.625) 0.796 2.053 ( -2.027 2.134 -1.958) 3.535 2.187 ( -2.847 -1.194 4.286) 5.282 2.227 ( -0.566 2.017 -2.943) 3.613 2.336 ( 0.548 2.114 -1.835) 2.853 2.349 ( -1.456 3.892 2.434) 4.815 2.464 ( 2.452 -2.796 1.474) 4.001 2.527 ( -0.822 -3.767 -2.180) 4.430 2.625 ( -0.381 -0.836 1.822) 2.041 2.672 ( -3.981 4.349 -1.198) 6.016 2.803 ( -0.395 -3.922 3.394) 5.202 2.858 ( -0.966 1.004 2.446) 2.815 2.980 ( 5.743 -0.486 -0.051) 5.764 3.045 ( 1.146 -1.311 0.744) 1.893 3.113 ( 3.320 3.768 0.398) 5.038 3.164 ( 1.206 -0.454 -1.817) 2.227 3.348 ( 1.128 -5.169 -2.968) 6.066 3.409 ( -5.197 0.320 0.086) 5.207 3.570 ( -2.975 3.177 1.791) 4.706 3.729 ( 1.924 4.721 -2.358) 5.617 3.922 ( 0.761 -1.730 -0.161) 1.897 3.999 ( -0.379 -0.404 -1.420) 1.525 4.079 ( 1.239 -1.322 -0.969) 2.055 4.100 ( 5.551 0.686 -0.767) 5.646 4.181 ( -1.183 1.114 0.328) 1.658 4.275 ( -1.661 -1.475 -1.381) 2.616 4.673 ( -0.588 1.849 4.669) 5.056 4.821 ( 1.407 -0.771 -3.338) 3.703 5.458 ( 4.270 0.555 1.063) 4.435 5.639 ( -0.342 1.293 -1.981) 2.391 6.020 ( 1.792 2.266 -2.165) 3.610 6.283 ( -2.757 0.067 6.678) 7.225 6.924 ( 18.295 -0.309 -1.588) 18.366 7.091 ( 13.345 -1.265 -0.250) 13.407 7.396 ( -0.898 1.462 -2.811) 3.293 7.406 ( -2.577 0.307 -3.950) 4.726 7.598 ( 2.303 0.480 5.712) 6.177 7.856 ( 1.989 0.493 0.646) 2.149 7.998 ( 0.971 0.786 4.292) 4.470 8.090 ( 0.457 0.198 -4.886) 4.912 8.333 ( -23.195 -0.275 10.820) 25.596 8.562 ( 7.022 -1.734 -7.624) 10.509 9.270 ( 4.140 1.722 -6.002) 7.492 9.782 ( 3.917 -8.046 -1.588) 9.088 9.850 ( -7.438 4.043 3.909) 9.325 10.103 ( 11.097 2.355 -7.959) 13.858 10.342 ( -0.656 -3.580 12.403) 12.926 10.584 ( -2.185 3.380 2.211) 4.592 10.861 ( 3.058 6.066 -6.728) 9.561 11.079 ( -0.602 -1.342 -0.477) 1.546 11.311 ( 7.365 -0.456 2.127) 7.680 11.633 ( -0.695 -0.622 -0.802) 1.230 13.359 ( 2.397 1.043 3.102) 4.056 13.545 ( -0.440 -1.095 -2.510) 2.774 19.776 ( 2.839 0.579 -0.160) 2.902 19.920 ( -2.368 -1.983 -0.500) 3.128 20.012 ( -1.639 -3.490 4.390) 5.843 20.327 ( 1.413 0.593 -2.758) 3.156 20.877 ( -3.257 -4.383 -5.061) 7.445 21.229 ( 1.855 -5.901 5.864) 8.523 21.519 ( -7.906 8.225 3.158) 11.837 21.633 ( -7.864 3.503 -4.758) 9.836 25.803 ( 11.642 2.364 0.641) 11.897 25.837 ( 9.052 -0.488 -0.631) 9.087 27.587 ( -6.687 -0.679 0.309) 6.729 27.647 ( -2.657 1.108 -0.421) 2.909 ======================= Grid point 90 (31/95) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -0.028 -0.872 -0.345) 0.938 1.421 ( -2.351 -0.960 -3.806) 4.575 1.509 ( -3.095 1.359 1.341) 3.636 1.550 ( 0.393 1.554 1.041) 1.911 1.816 ( -10.756 6.766 -0.499) 12.717 1.966 ( 1.937 -1.829 0.119) 2.667 1.990 ( 1.973 -1.195 -2.823) 3.645 2.055 ( 3.887 -0.565 5.556) 6.805 2.162 ( -0.496 -0.479 -4.246) 4.301 2.230 ( -2.509 4.354 3.644) 6.207 2.251 ( -1.357 -1.126 -2.024) 2.685 2.341 ( 1.139 1.325 0.948) 1.988 2.486 ( -2.803 -1.780 -2.425) 4.111 2.534 ( 1.338 0.357 5.386) 5.561 2.626 ( 4.989 -1.074 -0.471) 5.125 2.688 ( 3.969 1.973 -0.001) 4.432 2.829 ( -0.700 -1.082 -0.975) 1.616 2.898 ( 0.682 -5.743 4.628) 7.408 2.972 ( -2.162 4.585 -1.767) 5.368 3.039 ( -0.028 1.803 0.461) 1.862 3.136 ( -3.010 -1.777 2.293) 4.180 3.170 ( 0.269 5.364 1.738) 5.645 3.288 ( -6.043 2.137 -6.187) 8.908 3.401 ( 3.944 -1.749 0.125) 4.316 3.573 ( -0.280 -2.171 1.341) 2.567 3.693 ( -0.093 -2.614 -2.843) 3.863 3.961 ( 1.872 -0.521 -0.742) 2.080 3.974 ( -2.115 -0.257 0.675) 2.235 4.065 ( -2.298 0.626 -1.797) 2.983 4.154 ( 0.271 2.739 -0.970) 2.918 4.182 ( -0.975 -2.207 0.875) 2.566 4.249 ( 0.680 0.680 -1.729) 1.978 4.651 ( -0.473 1.361 3.235) 3.541 4.868 ( 1.401 -3.050 -2.056) 3.936 5.501 ( -0.333 -2.200 1.843) 2.889 5.607 ( -3.401 -1.198 -2.725) 4.520 6.027 ( 0.204 -0.328 -3.171) 3.195 6.247 ( -2.783 -1.475 7.551) 8.182 6.981 ( -15.853 2.171 -3.740) 16.433 7.007 ( -12.419 1.078 2.030) 12.630 7.372 ( -1.406 -1.001 -2.489) 3.029 7.400 ( 0.626 -3.095 -2.463) 4.005 7.792 ( 6.462 0.193 1.843) 6.722 7.825 ( -6.589 0.300 4.313) 7.880 7.909 ( -8.316 1.333 1.741) 8.600 8.104 ( 11.585 1.372 0.559) 11.679 8.170 ( 3.829 -0.121 0.034) 3.831 8.689 ( 5.479 -0.264 -0.804) 5.544 9.329 ( 4.058 0.864 -7.872) 8.899 9.667 ( -7.932 5.046 3.084) 9.894 9.906 ( -0.931 -10.793 -4.411) 11.697 10.240 ( 4.398 -1.074 -7.977) 9.172 10.306 ( -5.844 -1.428 16.934) 17.971 10.495 ( -4.873 -0.263 3.397) 5.946 10.810 ( -1.358 8.199 -6.891) 10.796 11.044 ( -3.706 -0.312 -1.060) 3.867 11.418 ( 2.415 -2.493 3.135) 4.677 11.607 ( -4.191 -3.105 -1.811) 5.521 13.379 ( 0.991 1.683 3.802) 4.274 13.527 ( -2.233 -0.804 -3.212) 3.994 19.801 ( 0.321 0.705 -0.271) 0.820 19.897 ( -0.014 1.365 -0.473) 1.444 20.001 ( -2.053 -0.618 4.315) 4.818 20.354 ( 4.626 4.619 -2.584) 7.029 20.838 ( -3.983 3.521 -4.544) 6.994 21.278 ( 4.779 0.114 8.091) 9.397 21.400 ( 1.555 2.842 -2.481) 4.081 21.723 ( 11.434 -9.714 -1.876) 15.120 25.803 ( -10.356 0.245 0.610) 10.377 25.840 ( -10.231 -2.343 -0.601) 10.513 27.569 ( 3.883 -0.892 0.173) 3.988 27.665 ( 5.708 0.629 -0.285) 5.750 ======================= Grid point 91 (32/95) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -7.210 0.829 -0.994) 7.325 1.315 ( -10.561 7.789 3.079) 13.479 1.385 ( -0.078 -0.036 -1.539) 1.541 1.553 ( -4.058 4.774 -1.102) 6.362 1.650 ( 1.539 0.341 -1.859) 2.437 1.891 ( -8.244 6.744 -9.675) 14.389 1.970 ( -0.843 3.455 7.720) 8.500 2.058 ( 2.076 2.275 0.060) 3.080 2.177 ( 1.453 -0.899 1.175) 2.074 2.233 ( -0.252 1.543 2.031) 2.563 2.299 ( 0.552 -3.866 0.445) 3.931 2.341 ( -3.316 -2.533 4.635) 6.237 2.437 ( -1.886 -0.034 -2.116) 2.835 2.568 ( 6.273 2.912 3.528) 7.764 2.647 ( -10.181 3.357 5.654) 12.120 2.746 ( 0.376 -1.940 -0.610) 2.068 2.814 ( 1.376 -0.914 -2.422) 2.932 2.868 ( -0.615 3.387 -4.197) 5.428 2.897 ( -6.533 6.314 0.521) 9.101 3.017 ( 3.276 -0.071 1.942) 3.809 3.033 ( 2.222 -1.736 -1.026) 3.000 3.159 ( -3.631 0.263 -4.636) 5.895 3.280 ( 4.465 -4.444 -5.826) 8.581 3.481 ( 0.690 -3.508 4.424) 5.688 3.621 ( 4.596 -3.113 -1.033) 5.646 3.761 ( 1.918 -3.825 -1.178) 4.438 3.936 ( -3.006 -1.565 1.345) 3.646 3.986 ( 0.579 1.232 -2.001) 2.420 4.042 ( 0.567 -0.186 -1.048) 1.205 4.065 ( -5.003 1.588 0.048) 5.249 4.168 ( -2.066 0.532 1.064) 2.384 4.276 ( 3.529 2.586 -0.159) 4.378 4.623 ( -2.025 0.943 2.092) 3.060 4.908 ( -0.952 -3.657 -2.475) 4.517 5.481 ( -5.558 -3.968 0.366) 6.839 5.525 ( -7.278 -2.263 -0.142) 7.623 6.013 ( -4.172 -2.539 -3.941) 6.275 6.164 ( -11.451 -2.176 8.386) 14.359 6.577 ( -22.671 0.312 -1.480) 22.721 6.692 ( -18.810 2.051 1.143) 18.956 7.280 ( -7.193 -0.967 -3.277) 7.963 7.394 ( -4.357 -2.592 -4.242) 6.610 7.698 ( -0.232 -1.387 4.469) 4.685 7.826 ( -1.123 -1.959 0.286) 2.276 7.891 ( -1.647 0.909 4.286) 4.681 8.189 ( 3.767 3.200 2.155) 5.392 8.426 ( 16.319 1.218 -7.604) 18.045 8.732 ( -0.473 1.195 6.994) 7.111 9.396 ( 3.908 1.919 -9.561) 10.506 9.473 ( -7.715 3.921 0.881) 8.698 9.935 ( -6.180 -10.381 -7.211) 14.070 10.130 ( -10.602 0.231 6.748) 12.569 10.326 ( -3.968 -8.010 9.073) 12.737 10.454 ( -0.605 -3.013 -0.488) 3.112 10.660 ( -5.167 9.469 -2.251) 11.019 10.961 ( -5.371 0.115 -4.901) 7.273 11.447 ( -2.101 -3.025 6.176) 7.191 11.546 ( -5.445 -3.867 -4.215) 7.898 13.367 ( -0.885 1.328 3.916) 4.228 13.481 ( -2.637 0.591 -3.513) 4.432 19.778 ( -1.966 0.187 -0.007) 1.975 19.885 ( 0.575 4.297 -1.284) 4.521 19.963 ( -0.633 2.138 5.729) 6.147 20.404 ( 8.127 10.293 -6.088) 14.459 20.714 ( -1.943 5.492 0.371) 5.837 21.388 ( 11.435 5.889 4.289) 13.559 21.594 ( 13.618 -9.000 1.567) 16.398 22.105 ( 18.590 -11.521 -3.264) 22.113 25.458 ( -27.485 -1.849 1.047) 27.567 25.542 ( -24.671 -3.710 -1.387) 24.987 27.708 ( 9.507 -0.525 -0.545) 9.537 27.816 ( 9.982 -0.629 0.246) 10.005 ======================= Grid point 92 (33/95) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -13.638 4.368 4.760) 15.091 0.995 ( -13.714 12.045 8.733) 20.234 1.357 ( -5.125 2.068 -8.398) 10.053 1.536 ( 3.183 -1.483 0.059) 3.512 1.582 ( -8.366 7.511 -11.554) 16.121 1.703 ( -4.739 7.537 4.012) 9.766 1.874 ( -10.163 10.688 14.758) 20.864 2.035 ( -7.886 -0.969 4.115) 8.947 2.067 ( -1.105 0.538 -0.484) 1.321 2.196 ( -1.600 -1.639 0.771) 2.417 2.258 ( -0.841 0.219 -3.320) 3.432 2.316 ( -5.238 -0.130 0.655) 5.280 2.440 ( 0.627 -2.663 -2.590) 3.767 2.479 ( -5.597 1.366 4.565) 7.351 2.598 ( 0.249 6.984 -3.392) 7.768 2.722 ( 8.776 -1.294 -2.689) 9.270 2.795 ( 0.891 -0.161 -2.086) 2.274 2.925 ( 4.937 -4.395 -6.167) 9.040 2.988 ( 9.140 -0.613 1.430) 9.271 3.055 ( -0.548 1.524 -1.568) 2.254 3.111 ( 2.178 -0.743 -4.193) 4.783 3.177 ( 5.196 -7.299 -0.275) 8.964 3.385 ( 1.102 -4.540 -2.770) 5.431 3.498 ( -2.341 -3.004 -0.639) 3.861 3.726 ( 2.307 -0.391 3.348) 4.085 3.809 ( 0.723 -1.103 -1.316) 1.863 3.885 ( -3.492 1.128 4.517) 5.820 3.954 ( -2.418 -1.978 2.912) 4.271 4.010 ( -1.089 -1.069 -2.249) 2.718 4.069 ( 2.250 1.377 -1.166) 2.884 4.139 ( 2.955 3.332 1.565) 4.721 4.340 ( 6.245 1.528 -0.907) 6.493 4.543 ( -6.577 -0.024 0.571) 6.601 4.870 ( -7.309 -2.776 -3.682) 8.642 5.380 ( -6.180 -1.289 -11.010) 12.692 5.404 ( -9.178 -3.242 11.630) 15.165 5.790 ( -26.788 -0.465 1.976) 26.865 5.896 ( -12.984 -2.270 -1.453) 13.261 6.282 ( -12.834 -3.709 5.114) 14.304 6.348 ( -16.975 0.950 1.536) 17.071 7.179 ( -1.591 2.082 -0.262) 2.633 7.428 ( 6.420 -1.836 -10.873) 12.759 7.736 ( -4.033 -6.009 4.465) 8.504 7.803 ( -6.657 -0.738 2.507) 7.152 7.817 ( -1.566 -3.702 0.582) 4.062 8.169 ( -2.514 7.716 6.493) 10.393 8.599 ( 4.691 1.282 -5.709) 7.499 8.714 ( 2.365 4.516 0.081) 5.098 9.306 ( -2.152 3.152 -5.971) 7.087 9.456 ( 0.163 -0.362 0.812) 0.904 9.874 ( -7.413 -2.886 1.232) 8.050 9.976 ( -9.319 -8.288 -4.799) 13.363 10.277 ( -10.695 -9.412 13.650) 19.730 10.400 ( -8.274 4.170 -6.768) 11.474 10.560 ( 2.079 -0.398 3.336) 3.951 10.850 ( -5.668 0.430 -8.857) 10.524 11.412 ( -4.542 -2.522 10.213) 11.458 11.510 ( -1.367 -2.920 -6.342) 7.114 13.331 ( -2.010 0.716 3.485) 4.086 13.424 ( -1.637 2.894 -3.715) 4.985 19.736 ( -2.189 0.803 1.476) 2.759 19.820 ( -2.179 4.271 -1.849) 5.139 19.963 ( 2.577 3.305 5.545) 6.950 20.408 ( 5.159 13.568 -12.878) 19.405 20.746 ( 12.000 6.087 14.164) 19.537 21.640 ( 21.359 3.298 -0.102) 21.612 21.953 ( 14.993 -8.875 5.957) 18.413 22.580 ( 21.389 -11.428 -6.343) 25.066 24.877 ( -38.074 -1.922 1.523) 38.153 25.049 ( -34.074 -5.846 -4.405) 34.851 27.890 ( 9.882 -0.125 -2.063) 10.096 28.010 ( 9.211 -2.674 1.675) 9.736 ======================= Grid point 93 (34/95) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -11.966 6.129 15.837) 20.773 0.639 ( -14.368 7.546 14.647) 21.861 1.120 ( -21.247 8.020 11.762) 25.575 1.260 ( -15.041 3.289 -7.343) 17.058 1.309 ( -10.447 7.770 -10.224) 16.555 1.672 ( 3.859 0.047 4.856) 6.203 1.765 ( 2.882 5.141 6.953) 9.115 1.963 ( -3.123 1.082 8.501) 9.121 2.048 ( 0.048 -1.996 -7.109) 7.384 2.180 ( -3.034 -1.409 -0.511) 3.384 2.182 ( -2.257 0.749 -1.087) 2.614 2.329 ( 3.614 0.073 -1.257) 3.827 2.458 ( 4.766 -3.081 -0.144) 5.677 2.531 ( 1.087 5.285 -1.846) 5.703 2.556 ( 5.263 -0.944 -4.940) 7.280 2.847 ( 3.321 -0.336 -6.241) 7.078 2.907 ( 4.373 -7.290 -0.834) 8.542 3.015 ( 0.727 3.056 -2.427) 3.969 3.032 ( 3.344 -2.414 -6.710) 7.877 3.152 ( 7.597 -0.034 1.838) 7.816 3.220 ( 5.864 -1.422 -1.873) 6.318 3.308 ( -0.758 -9.442 -0.455) 9.483 3.383 ( -4.637 -2.748 -1.859) 5.702 3.437 ( -5.912 1.147 -5.768) 8.339 3.705 ( -2.632 1.090 4.431) 5.268 3.754 ( -4.343 5.352 0.265) 6.898 3.838 ( -2.427 -0.371 5.512) 6.034 3.960 ( -1.945 -0.153 -0.803) 2.110 3.990 ( 3.827 -1.003 1.769) 4.333 4.137 ( 3.764 1.538 2.214) 4.629 4.212 ( 5.892 0.762 3.380) 6.835 4.329 ( -7.943 1.568 -2.241) 8.401 4.578 ( 13.825 -3.970 -1.326) 14.444 4.699 ( -12.677 -1.623 -2.844) 13.093 5.284 ( -11.307 -0.582 7.299) 13.471 5.294 ( -11.798 -2.782 3.900) 12.734 5.334 ( -8.752 1.743 -11.568) 14.610 5.666 ( -10.369 -0.118 1.372) 10.460 6.061 ( -13.667 -0.178 1.972) 13.809 6.130 ( -8.517 -2.384 2.838) 9.289 7.195 ( 6.235 4.949 3.076) 8.534 7.580 ( 3.778 -0.678 -12.370) 12.952 7.632 ( -7.719 -4.816 1.453) 9.213 7.668 ( -9.480 -0.167 0.807) 9.515 7.840 ( -3.954 -4.429 6.571) 8.856 8.015 ( -1.249 7.138 2.273) 7.594 8.626 ( -1.605 2.138 -8.423) 8.837 8.713 ( 3.595 1.520 1.122) 4.062 9.326 ( 5.053 0.403 -2.928) 5.854 9.428 ( -3.067 0.732 1.761) 3.612 9.789 ( -3.588 -2.950 2.744) 5.395 9.893 ( -9.694 -8.496 -4.090) 13.524 10.110 ( -10.347 -0.689 2.465) 10.658 10.231 ( -11.220 -4.384 4.283) 12.785 10.623 ( 2.556 -2.528 -4.802) 5.999 10.770 ( -1.516 1.040 -9.356) 9.535 11.352 ( -4.322 -0.644 11.564) 12.362 11.544 ( 2.688 -2.002 -4.021) 5.235 13.289 ( -2.077 0.572 3.035) 3.722 13.368 ( -0.095 5.163 -4.184) 6.647 19.680 ( -2.731 1.574 3.545) 4.743 19.762 ( -0.367 2.004 -3.229) 3.818 19.983 ( 2.074 2.240 5.260) 6.082 20.356 ( 2.491 9.966 -11.029) 15.072 21.094 ( 39.209 10.283 29.653) 50.223 22.067 ( 23.175 0.474 4.752) 23.661 22.273 ( 13.857 -5.746 3.336) 15.367 23.040 ( 16.405 -9.837 -12.705) 22.964 24.160 ( -39.368 0.187 -0.168) 39.369 24.395 ( -47.808 -7.820 -12.656) 50.069 28.056 ( 8.002 -0.198 -2.425) 8.364 28.184 ( 4.648 -5.492 0.897) 7.250 ======================= Grid point 95 (35/95) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 16.012 -0.000 8.759) 18.251 0.953 ( 14.209 -0.000 13.010) 19.265 1.303 ( -2.088 0.000 -9.031) 9.269 1.342 ( 7.778 -0.000 -3.086) 8.368 1.534 ( 18.838 -0.000 -2.148) 18.960 1.772 ( 4.581 -0.000 3.000) 5.476 1.848 ( 13.041 -0.000 0.067) 13.041 1.964 ( 4.436 -0.000 6.992) 8.280 2.156 ( 3.989 -0.000 0.474) 4.017 2.159 ( -4.388 0.000 0.331) 4.401 2.185 ( 3.798 -0.000 -3.962) 5.489 2.361 ( 2.207 -0.000 4.119) 4.673 2.379 ( 3.089 -0.000 2.153) 3.766 2.521 ( -2.914 0.000 3.775) 4.769 2.541 ( -0.258 0.000 -8.164) 8.168 2.742 ( -13.321 0.000 -0.164) 13.322 2.901 ( 4.010 -0.000 -8.111) 9.048 2.921 ( -3.746 0.000 2.356) 4.426 3.009 ( 3.228 -0.000 -9.270) 9.816 3.106 ( -5.645 0.000 -1.010) 5.734 3.214 ( -9.258 0.000 3.696) 9.968 3.290 ( -4.819 0.000 -8.116) 9.439 3.319 ( -5.887 0.000 -1.175) 6.003 3.422 ( 5.321 -0.000 -0.797) 5.381 3.705 ( 2.684 -0.000 4.527) 5.263 3.814 ( 1.382 -0.000 -0.478) 1.462 3.896 ( -9.597 0.000 3.784) 10.316 3.978 ( 7.170 -0.000 4.853) 8.657 4.047 ( 2.753 -0.000 -2.313) 3.595 4.070 ( -0.805 0.000 -5.430) 5.489 4.122 ( -5.663 0.000 3.680) 6.754 4.207 ( -0.487 0.000 0.448) 0.662 4.649 ( 7.234 -0.000 6.344) 9.622 4.757 ( 7.917 -0.000 -9.438) 12.319 5.136 ( 11.930 -0.000 -0.619) 11.946 5.701 ( 1.249 -0.000 2.928) 3.183 5.977 ( 24.932 -0.000 -4.987) 25.426 5.986 ( 9.748 -0.000 2.142) 9.980 6.237 ( 15.317 -0.000 3.319) 15.672 6.324 ( 6.247 -0.000 4.748) 7.847 7.179 ( 13.106 -0.000 1.205) 13.161 7.436 ( -1.647 0.000 -11.054) 11.176 7.806 ( -4.172 0.000 6.472) 7.700 7.849 ( 14.035 -0.000 -1.694) 14.137 7.869 ( 5.391 -0.000 3.367) 6.356 8.012 ( -4.026 0.000 4.422) 5.980 8.387 ( -12.556 0.000 -3.856) 13.135 8.924 ( -6.807 0.000 -1.016) 6.882 9.334 ( -1.741 0.000 -5.206) 5.489 9.519 ( 4.018 -0.000 -4.357) 5.927 9.874 ( 9.523 -0.000 -3.564) 10.168 9.922 ( 6.492 -0.000 6.450) 9.151 10.145 ( 15.141 -0.000 -3.245) 15.484 10.388 ( 1.452 -0.000 6.869) 7.021 10.901 ( 4.927 -0.000 -8.636) 9.942 10.901 ( 12.857 -0.000 -7.383) 14.826 11.100 ( -4.232 0.000 12.227) 12.938 11.657 ( 0.673 -0.000 -0.568) 0.881 13.265 ( 2.106 -0.000 1.813) 2.779 13.443 ( 3.494 -0.000 -0.994) 3.632 19.640 ( 2.431 -0.000 0.964) 2.615 19.828 ( 2.017 -0.000 -0.980) 2.242 19.974 ( -1.800 0.000 5.523) 5.809 20.256 ( -1.398 0.000 -7.197) 7.332 21.044 ( -12.556 0.000 25.901) 28.783 21.253 ( -22.488 0.000 -13.115) 26.033 22.241 ( -16.397 0.000 12.194) 20.434 22.547 ( -23.395 0.000 -13.851) 27.188 24.911 ( 37.867 -0.000 2.824) 37.972 25.073 ( 33.510 -0.000 -7.450) 34.328 27.872 ( -4.657 0.000 -2.933) 5.504 27.982 ( -11.089 0.000 2.455) 11.358 ======================= Grid point 96 (36/95) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 13.680 -9.572 3.662) 17.093 1.175 ( 6.779 -0.339 4.823) 8.327 1.294 ( 6.020 2.970 -2.268) 7.086 1.454 ( 4.407 -4.444 -3.077) 6.974 1.807 ( 2.361 5.486 -2.241) 6.379 1.826 ( 7.843 -2.632 -3.337) 8.921 1.917 ( -2.992 -4.394 4.549) 6.997 2.052 ( 0.575 2.058 0.762) 2.268 2.115 ( 3.546 -3.381 1.738) 5.199 2.250 ( 5.281 -1.971 2.319) 6.095 2.299 ( 4.102 1.299 -3.981) 5.862 2.397 ( 1.168 2.196 -0.853) 2.629 2.442 ( 2.391 -0.707 -1.016) 2.693 2.525 ( -2.042 0.875 2.494) 3.340 2.562 ( -0.938 2.674 0.239) 2.844 2.609 ( 7.814 -5.856 4.725) 10.848 2.889 ( -1.527 -0.064 3.553) 3.868 2.924 ( -3.836 1.683 -1.168) 4.349 2.935 ( -11.076 0.987 -1.401) 11.208 3.062 ( 2.739 1.114 -3.693) 4.731 3.111 ( 1.004 0.632 -3.951) 4.126 3.144 ( -3.956 -0.927 -1.498) 4.330 3.273 ( -0.843 2.031 -5.709) 6.118 3.527 ( 4.217 -0.644 1.021) 4.387 3.715 ( -3.167 3.374 -1.120) 4.761 3.786 ( -3.238 1.414 1.105) 3.702 3.809 ( 3.415 -1.659 1.130) 3.961 4.013 ( -2.678 1.390 2.892) 4.179 4.049 ( -1.270 -0.188 -4.605) 4.781 4.075 ( 2.867 0.417 0.073) 2.898 4.143 ( 3.902 -4.043 1.881) 5.925 4.230 ( 1.125 -0.054 -0.298) 1.165 4.719 ( 1.090 0.721 7.290) 7.406 4.816 ( 0.173 0.300 -8.168) 8.175 5.354 ( 9.710 0.159 0.336) 9.717 5.703 ( -0.854 1.189 1.172) 1.876 6.081 ( 4.205 3.878 -0.620) 5.754 6.299 ( -1.059 -1.797 8.195) 8.456 6.493 ( 24.336 -0.544 -6.650) 25.234 6.637 ( 26.500 0.000 1.321) 26.533 7.417 ( 1.835 1.122 -7.127) 7.445 7.443 ( 9.091 1.302 1.220) 9.264 7.697 ( -8.022 0.186 7.667) 11.098 7.886 ( 2.183 6.012 1.422) 6.552 7.962 ( 0.519 0.005 0.691) 0.864 8.071 ( 1.375 -5.545 3.055) 6.478 8.295 ( 4.445 -3.624 -9.349) 10.968 8.699 ( -18.283 -1.066 7.239) 19.693 9.306 ( 0.526 2.010 -6.794) 7.105 9.597 ( 3.905 -1.162 -1.519) 4.348 9.968 ( 3.485 3.813 1.762) 5.458 10.063 ( 7.539 0.951 -2.330) 7.948 10.311 ( 4.159 6.825 2.292) 8.314 10.476 ( 6.487 -8.173 0.358) 10.440 10.945 ( 2.683 3.496 -7.026) 8.294 11.053 ( -1.308 -0.486 9.597) 9.698 11.150 ( 12.242 -0.160 -2.641) 12.525 11.651 ( -1.343 0.220 -0.985) 1.680 13.318 ( 3.565 0.231 2.904) 4.604 13.499 ( 1.778 -1.060 -1.997) 2.876 19.708 ( 4.557 -0.268 0.041) 4.565 19.862 ( 0.301 -2.257 -1.471) 2.711 19.956 ( -0.681 -0.842 5.958) 6.055 20.276 ( 3.331 -0.817 -5.203) 6.231 20.914 ( -10.071 -0.090 -2.328) 10.337 20.979 ( -5.044 -6.591 6.471) 10.524 21.939 ( -14.702 3.814 9.943) 18.154 22.101 ( -21.932 3.862 -10.889) 24.789 25.504 ( 27.307 1.268 2.022) 27.411 25.563 ( 21.878 0.921 -2.617) 22.053 27.761 ( -11.680 0.153 0.906) 11.716 27.767 ( -7.054 0.339 -1.566) 7.234 ======================= Grid point 97 (37/95) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 2.698 3.331 1.002) 4.402 1.352 ( 7.393 -7.585 -2.028) 10.784 1.413 ( 5.478 0.588 0.538) 5.536 1.593 ( 6.171 -4.632 0.754) 7.752 1.715 ( -4.845 1.664 1.909) 5.467 1.883 ( 0.805 -1.895 3.274) 3.868 1.998 ( 4.005 -0.496 -3.262) 5.190 2.055 ( 2.830 0.126 3.295) 4.346 2.215 ( 2.062 2.090 -2.342) 3.756 2.265 ( -2.713 -0.550 -3.302) 4.309 2.356 ( -0.295 0.126 1.273) 1.313 2.375 ( 3.228 -0.346 3.154) 4.527 2.464 ( -2.580 3.783 1.803) 4.922 2.492 ( 2.634 0.160 -3.752) 4.587 2.573 ( 0.627 -0.951 -3.086) 3.290 2.717 ( -9.878 1.144 -0.676) 9.967 2.739 ( -1.079 -3.608 1.715) 4.139 2.885 ( 3.934 -6.725 -2.075) 8.063 2.945 ( 0.506 4.235 5.957) 7.326 3.024 ( 3.418 -0.480 2.172) 4.078 3.162 ( 1.043 -0.049 1.385) 1.734 3.189 ( 4.683 1.620 -3.535) 6.087 3.269 ( 1.890 -0.828 -5.083) 5.486 3.470 ( -5.415 3.812 1.934) 6.899 3.639 ( -3.615 5.117 1.752) 6.505 3.792 ( 4.264 0.968 -1.126) 4.515 3.877 ( -0.867 -3.096 -1.803) 3.686 3.999 ( 0.664 0.689 -2.391) 2.576 4.035 ( 1.761 -1.937 -0.517) 2.668 4.125 ( 3.377 0.441 0.836) 3.507 4.206 ( -1.783 1.384 1.073) 2.499 4.238 ( 0.977 -1.772 -1.644) 2.607 4.698 ( -2.108 0.865 5.900) 6.325 4.795 ( -1.772 -1.703 -5.254) 5.800 5.459 ( 2.250 -0.198 1.473) 2.697 5.651 ( -3.742 0.109 -1.864) 4.182 6.086 ( 0.842 4.317 -1.713) 4.721 6.255 ( -4.521 -2.644 5.670) 7.719 6.924 ( 19.469 -0.043 -1.860) 19.557 7.069 ( 14.590 -0.806 -0.338) 14.616 7.411 ( -3.111 0.558 -3.962) 5.068 7.435 ( -5.395 1.852 -0.365) 5.715 7.608 ( 4.030 0.498 4.165) 5.817 7.890 ( 1.925 3.268 0.974) 3.916 8.001 ( 2.815 -0.311 1.862) 3.390 8.081 ( -1.751 -1.613 -1.957) 3.082 8.322 ( -22.822 -0.778 11.432) 25.538 8.493 ( 9.428 -4.442 -9.106) 13.840 9.323 ( 4.095 3.002 -7.095) 8.725 9.676 ( 2.501 -3.292 1.436) 4.377 9.898 ( -7.225 1.197 5.830) 9.360 10.181 ( 8.252 5.144 -8.808) 13.120 10.309 ( -0.461 0.171 6.074) 6.094 10.600 ( -0.272 -1.925 0.265) 1.963 10.949 ( 2.329 3.603 -3.667) 5.644 11.053 ( -0.706 -1.326 3.067) 3.415 11.316 ( 6.286 0.862 1.468) 6.512 11.602 ( -4.859 -2.252 -1.754) 5.635 13.381 ( 3.568 1.130 3.875) 5.387 13.518 ( -0.837 -1.499 -3.129) 3.569 19.789 ( 3.769 0.704 -0.358) 3.850 19.884 ( 0.526 -2.500 -2.179) 3.358 19.971 ( 1.521 0.201 5.883) 6.080 20.375 ( 8.185 3.076 -2.464) 9.084 20.783 ( -4.484 -3.892 -5.951) 8.406 21.068 ( 3.930 -9.311 7.819) 12.778 21.665 ( -10.867 6.475 2.586) 12.911 21.718 ( -13.853 3.831 -4.903) 15.186 25.828 ( 7.033 -0.312 -1.608) 7.221 25.842 ( 9.948 1.410 1.616) 10.176 27.575 ( -7.050 -0.512 0.714) 7.104 27.666 ( -2.947 0.836 -0.936) 3.203 ======================= Grid point 98 (38/95) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 2.920 5.538 0.570) 6.286 1.419 ( -1.492 0.488 -4.386) 4.659 1.491 ( 0.511 -2.887 2.149) 3.635 1.596 ( 0.252 3.263 -0.756) 3.359 1.827 ( 6.343 -8.935 3.127) 11.395 1.944 ( 0.660 -0.757 1.396) 1.720 1.988 ( -6.158 6.005 1.102) 8.672 2.052 ( 2.183 1.377 -0.896) 2.732 2.177 ( 1.171 2.366 -3.203) 4.150 2.250 ( 2.219 1.580 0.113) 2.726 2.336 ( -1.892 0.305 -1.102) 2.211 2.375 ( -2.486 3.557 4.449) 6.215 2.481 ( 1.019 -0.193 -1.591) 1.899 2.514 ( 1.720 -0.009 2.046) 2.673 2.566 ( -1.563 -3.982 0.599) 4.320 2.670 ( 3.358 -5.220 -6.026) 8.650 2.767 ( 0.002 -3.300 2.190) 3.961 2.875 ( 0.610 3.173 1.668) 3.637 3.006 ( -0.573 -3.995 -0.270) 4.045 3.068 ( -0.259 4.527 0.561) 4.569 3.162 ( 0.014 3.199 0.885) 3.319 3.263 ( 5.169 2.373 5.049) 7.605 3.299 ( -0.357 0.042 -4.050) 4.066 3.407 ( 2.227 2.473 -1.266) 3.561 3.536 ( -2.508 -0.964 1.826) 3.249 3.724 ( -6.724 4.833 -3.216) 8.883 3.925 ( 2.202 -2.340 0.952) 3.351 3.977 ( -2.032 -0.754 1.308) 2.531 4.075 ( -3.344 0.986 -1.414) 3.763 4.142 ( 0.993 -1.370 -0.664) 1.818 4.199 ( -0.347 1.611 -1.804) 2.444 4.243 ( 1.646 -1.228 -2.007) 2.871 4.663 ( -1.316 -0.063 3.864) 4.082 4.796 ( -1.255 -4.399 -2.739) 5.332 5.456 ( -3.570 -2.267 2.286) 4.808 5.573 ( -5.925 -2.220 -3.919) 7.443 6.041 ( -2.182 1.703 -2.144) 3.501 6.199 ( -5.160 -3.075 6.641) 8.955 7.010 ( -15.711 1.123 1.817) 15.855 7.040 ( -9.133 1.901 -2.296) 9.607 7.336 ( -6.237 -2.201 -2.166) 6.960 7.380 ( 2.479 0.403 -2.423) 3.490 7.803 ( 5.717 1.201 -0.350) 5.852 7.847 ( -6.072 2.106 5.645) 8.554 7.919 ( -7.238 -0.431 1.423) 7.390 8.122 ( 11.638 -1.411 -3.366) 12.197 8.145 ( 2.627 -0.450 3.695) 4.556 8.667 ( 6.418 -2.007 -1.631) 6.920 9.367 ( 3.606 2.739 -7.007) 8.343 9.742 ( -0.835 -6.391 0.893) 6.507 9.751 ( -5.997 3.621 3.526) 7.843 10.221 ( -2.139 -1.505 1.060) 2.822 10.289 ( -1.285 1.275 -0.643) 1.921 10.519 ( -7.302 1.329 1.215) 7.521 10.932 ( -0.630 4.763 -2.271) 5.314 11.030 ( -3.532 -0.918 -0.016) 3.649 11.375 ( 0.384 -1.601 2.436) 2.940 11.525 ( -7.422 -5.381 -1.096) 9.233 13.414 ( 1.043 1.871 3.261) 3.902 13.503 ( -1.766 -1.581 -2.918) 3.759 19.812 ( 0.252 0.902 -0.593) 1.108 19.940 ( 3.413 0.113 -1.620) 3.779 20.001 ( 3.220 3.333 5.484) 7.180 20.486 ( 10.508 8.721 -2.540) 13.890 20.815 ( 1.120 -5.425 -2.936) 6.269 21.225 ( 2.683 -4.961 3.951) 6.886 21.493 ( -0.258 2.391 -0.288) 2.422 21.580 ( 1.709 -1.894 -1.427) 2.923 25.790 ( -12.587 -1.986 -1.538) 12.835 25.813 ( -12.082 -0.039 1.520) 12.178 27.555 ( 4.261 -0.535 -0.266) 4.303 27.675 ( 4.656 0.353 0.246) 4.676 ======================= Grid point 99 (39/95) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -2.125 5.841 -2.479) 6.692 1.369 ( 0.026 0.431 -1.866) 1.915 1.458 ( -2.195 4.955 1.666) 5.670 1.663 ( 4.927 1.552 -1.458) 5.368 1.707 ( -6.219 10.186 2.816) 12.263 1.914 ( -3.361 -4.300 -1.382) 5.630 2.022 ( 0.288 2.638 -4.312) 5.063 2.117 ( -0.469 0.701 2.752) 2.878 2.153 ( 2.325 -1.075 -2.403) 3.512 2.225 ( -0.361 2.121 -0.509) 2.211 2.284 ( -1.066 1.323 5.465) 5.723 2.354 ( 0.801 1.700 0.979) 2.119 2.471 ( 1.404 3.481 -2.448) 4.481 2.575 ( 2.940 -1.671 5.714) 6.640 2.661 ( 4.442 -7.128 0.410) 8.409 2.708 ( -6.904 0.537 1.254) 7.037 2.798 ( -1.935 -0.347 0.260) 1.983 2.864 ( 0.476 -3.164 2.879) 4.305 2.964 ( -1.917 2.145 -2.986) 4.147 3.054 ( 1.954 2.309 1.921) 3.584 3.103 ( -1.587 8.147 0.082) 8.301 3.164 ( -4.357 1.767 -1.248) 4.865 3.267 ( -1.099 4.034 -4.342) 6.028 3.494 ( -0.733 4.704 0.496) 4.786 3.551 ( 5.855 -4.013 -0.533) 7.118 3.652 ( 1.566 -7.026 -2.326) 7.565 3.906 ( -3.795 -1.779 3.007) 5.158 3.986 ( -2.729 -0.787 -0.750) 2.938 4.025 ( 1.277 -1.414 0.133) 1.910 4.109 ( -4.710 1.872 -3.557) 6.192 4.172 ( 0.685 0.266 -0.238) 0.773 4.307 ( 3.401 0.606 -0.061) 3.456 4.635 ( -2.629 0.330 2.999) 4.002 4.819 ( -1.750 -5.572 -2.702) 6.435 5.387 ( -7.899 -5.731 2.891) 10.178 5.467 ( -8.813 -3.731 -3.934) 10.348 5.972 ( -6.053 -1.843 -3.940) 7.454 6.109 ( -9.764 -3.174 7.700) 12.833 6.591 ( -26.896 1.391 0.424) 26.935 6.727 ( -19.740 1.536 2.317) 19.934 7.239 ( -5.161 -2.827 -4.657) 7.505 7.367 ( -3.789 -0.441 -5.834) 6.971 7.699 ( -3.229 1.115 3.921) 5.200 7.803 ( -1.731 -0.302 0.964) 2.004 7.910 ( -1.899 0.961 3.486) 4.084 8.191 ( 1.984 -3.105 4.089) 5.504 8.454 ( 18.418 1.685 -8.407) 20.316 8.751 ( 2.256 0.850 5.714) 6.202 9.402 ( 2.106 -0.175 -2.188) 3.042 9.600 ( -5.794 7.861 -4.423) 10.720 9.756 ( -4.261 -7.846 -4.441) 9.972 10.161 ( -9.236 -7.598 11.230) 16.406 10.178 ( -9.036 4.498 1.354) 10.184 10.413 ( -2.322 -2.393 -2.624) 4.243 10.825 ( -4.625 7.496 -1.188) 8.888 10.949 ( -6.182 -1.297 -3.930) 7.440 11.375 ( -3.653 -4.101 6.062) 8.179 11.444 ( -6.906 -6.705 -2.711) 10.000 13.386 ( -2.601 0.285 0.821) 2.742 13.490 ( -0.292 0.675 -0.933) 1.188 19.800 ( 0.296 2.264 -0.457) 2.328 19.965 ( 0.562 2.676 -0.149) 2.738 20.031 ( 4.754 6.342 5.012) 9.378 20.615 ( 14.323 11.502 -7.475) 19.833 20.808 ( -1.689 3.549 0.055) 3.930 21.391 ( 10.753 -9.496 6.594) 15.788 21.523 ( 8.503 5.598 -0.303) 10.185 21.855 ( 15.235 -14.171 -2.931) 21.012 25.417 ( -29.268 -2.295 0.668) 29.366 25.471 ( -26.470 -3.492 -0.906) 26.714 27.699 ( 9.939 -0.312 -0.843) 9.980 27.805 ( 8.536 -0.621 0.905) 8.606 ======================= Grid point 100 (40/95) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -9.748 7.486 1.000) 12.332 1.242 ( -9.939 13.106 5.925) 17.483 1.451 ( 4.694 5.464 0.071) 7.203 1.543 ( -1.405 4.536 -5.589) 7.334 1.738 ( 1.439 7.153 -5.411) 9.083 1.825 ( -3.130 3.923 -2.883) 5.787 1.951 ( -1.484 0.252 0.765) 1.688 2.108 ( -2.813 -0.552 2.187) 3.606 2.155 ( -7.630 8.744 4.074) 12.300 2.176 ( -6.707 1.322 5.204) 8.591 2.273 ( 1.045 2.367 -0.787) 2.704 2.299 ( 1.888 0.454 4.878) 5.251 2.410 ( -7.352 2.337 0.703) 7.746 2.513 ( -3.864 1.890 4.393) 6.148 2.640 ( 1.923 -1.780 -0.371) 2.647 2.753 ( 5.419 1.096 -4.066) 6.863 2.815 ( 1.114 -5.153 -1.087) 5.383 2.858 ( -0.931 3.826 -3.173) 5.057 3.006 ( 8.144 1.958 -2.755) 8.818 3.049 ( 1.047 -0.654 -1.147) 1.685 3.099 ( -1.600 0.340 -2.481) 2.971 3.107 ( 4.441 -0.207 -0.317) 4.457 3.270 ( -0.035 -4.862 -1.853) 5.204 3.450 ( -0.806 -1.317 -1.718) 2.310 3.713 ( 4.757 -1.625 2.163) 5.472 3.738 ( 0.374 -5.198 -0.124) 5.213 3.891 ( -0.740 -2.101 1.169) 2.516 3.913 ( -3.563 -1.513 3.769) 5.403 4.021 ( -2.509 1.339 -3.180) 4.266 4.072 ( 1.537 -0.884 -0.191) 1.783 4.188 ( 3.196 2.018 1.450) 4.048 4.363 ( 3.902 0.619 -0.766) 4.024 4.540 ( -8.282 -0.289 1.938) 8.511 4.798 ( -6.958 -4.685 -3.799) 9.209 5.300 ( -8.364 -7.061 6.076) 12.520 5.342 ( -6.996 -3.397 -6.824) 10.347 5.798 ( -24.635 1.281 4.635) 25.100 5.833 ( -14.449 -4.335 -3.931) 15.589 6.198 ( -14.870 -4.453 3.510) 15.915 6.369 ( -17.888 1.242 2.846) 18.155 7.204 ( 0.542 0.008 -2.838) 2.889 7.369 ( 3.881 -3.281 -10.467) 11.636 7.655 ( -5.442 -3.823 7.228) 9.822 7.755 ( -3.704 -0.476 -0.594) 3.782 7.819 ( -6.422 0.824 0.903) 6.537 8.239 ( -0.424 -0.725 8.882) 8.922 8.645 ( 5.343 3.274 -4.424) 7.671 8.788 ( 3.917 3.161 -2.206) 5.496 9.388 ( -4.723 4.116 0.038) 6.265 9.456 ( 0.210 1.287 -3.573) 3.803 9.758 ( -3.150 -6.813 -6.783) 10.117 9.924 ( -14.058 0.562 3.652) 14.536 10.069 ( -9.688 -7.651 14.483) 19.030 10.434 ( -0.511 -3.229 -8.965) 9.542 10.641 ( -6.021 8.554 3.319) 10.974 10.842 ( -6.095 -1.477 -6.714) 9.187 11.323 ( -7.021 -6.552 10.799) 14.451 11.429 ( -1.270 -5.410 -5.819) 8.046 13.336 ( -2.689 -0.476 0.899) 2.875 13.474 ( 0.158 2.403 -1.834) 3.027 19.780 ( 0.531 3.819 0.141) 3.858 19.915 ( -1.516 5.458 -0.482) 5.685 20.054 ( 4.120 6.405 6.041) 9.721 20.641 ( 0.490 9.511 -15.261) 17.989 20.919 ( 22.738 11.522 9.668) 27.263 21.719 ( 19.142 4.405 2.567) 19.809 21.735 ( 12.690 -13.162 3.461) 18.608 22.304 ( 17.386 -16.679 -4.511) 24.511 24.825 ( -38.139 -3.232 1.281) 38.298 24.943 ( -35.892 -4.995 -2.278) 36.309 27.885 ( 9.715 -0.357 -1.446) 9.829 27.965 ( 7.240 -1.893 1.806) 7.699 ======================= Grid point 101 (41/95) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -8.876 9.160 12.437) 17.815 0.887 ( -13.265 15.363 9.963) 22.611 1.320 ( -6.235 10.692 -7.248) 14.344 1.407 ( -13.248 9.396 -5.163) 17.043 1.549 ( -8.841 17.371 1.472) 19.547 1.764 ( 3.590 10.518 5.309) 12.317 1.870 ( -0.411 3.775 7.680) 8.567 1.966 ( 0.998 0.537 -0.052) 1.135 2.068 ( -1.364 4.823 2.325) 5.526 2.129 ( 0.172 -2.549 1.454) 2.940 2.236 ( -4.330 3.512 -1.306) 5.726 2.310 ( 1.179 -2.415 -1.211) 2.948 2.405 ( 1.295 -1.221 -1.479) 2.314 2.488 ( 2.905 -5.907 -1.814) 6.828 2.674 ( -3.267 9.107 -1.948) 9.870 2.802 ( 7.757 -3.228 -1.236) 8.492 2.846 ( 3.074 0.368 -5.527) 6.335 2.946 ( 3.270 -5.969 -6.368) 9.321 3.038 ( -0.289 -0.347 -2.673) 2.711 3.148 ( 7.566 -0.471 0.273) 7.586 3.170 ( 4.297 -4.049 -1.118) 6.009 3.205 ( 3.783 -1.533 0.372) 4.098 3.288 ( -3.676 -5.581 -0.012) 6.682 3.430 ( -4.088 -1.063 -3.291) 5.355 3.702 ( -4.176 -1.254 3.559) 5.628 3.804 ( -1.077 -2.964 2.896) 4.282 3.825 ( 0.177 1.518 -1.668) 2.262 3.949 ( -3.722 -1.843 0.334) 4.166 3.997 ( 4.596 1.776 0.608) 4.964 4.148 ( 6.261 -1.705 -0.371) 6.499 4.227 ( -1.326 1.334 6.574) 6.838 4.369 ( -3.464 1.626 -2.596) 4.624 4.476 ( 4.671 -5.555 1.255) 7.365 4.648 ( -12.438 -3.163 -2.482) 13.072 5.217 ( -8.686 -5.234 9.034) 13.582 5.274 ( -9.388 -0.770 -2.894) 9.854 5.347 ( -12.307 -0.348 -5.214) 13.370 5.642 ( -8.487 -3.186 -1.776) 9.238 6.029 ( -11.797 -3.067 4.211) 12.896 6.096 ( -9.168 -0.246 -0.325) 9.177 7.276 ( 8.120 2.081 -1.355) 8.491 7.503 ( -5.458 -6.482 -0.485) 8.488 7.536 ( -1.921 -5.046 -2.115) 5.798 7.686 ( -4.546 1.648 -0.837) 4.908 7.749 ( -0.275 -3.737 1.433) 4.012 8.160 ( -5.611 5.960 4.854) 9.517 8.675 ( -0.038 2.447 -6.374) 6.827 8.755 ( -1.157 2.263 -0.323) 2.562 9.357 ( 5.010 3.175 -1.742) 6.182 9.439 ( -2.460 0.095 2.339) 3.395 9.683 ( -13.095 -4.449 8.793) 16.389 9.760 ( -3.816 -4.992 -5.268) 8.200 9.981 ( -7.425 -5.401 12.483) 15.495 10.336 ( -5.395 8.147 -8.325) 12.837 10.564 ( 0.162 -2.525 -0.757) 2.641 10.779 ( -1.277 -0.633 -6.955) 7.100 11.277 ( -5.642 -7.179 11.297) 14.526 11.478 ( 1.377 -4.777 -4.876) 6.964 13.301 ( -1.552 0.308 2.186) 2.698 13.456 ( 1.138 3.160 -5.402) 6.360 19.743 ( -0.343 5.075 1.859) 5.415 19.831 ( -1.286 5.168 -1.980) 5.682 20.061 ( 2.595 5.766 6.696) 9.210 20.550 ( -0.051 8.736 -12.894) 15.575 21.371 ( 42.591 14.898 10.169) 46.254 22.041 ( 8.296 -8.894 11.574) 16.789 22.128 ( 25.012 -3.076 -4.956) 25.683 22.739 ( 9.557 -19.376 -7.118) 22.747 24.139 ( -38.951 -2.727 0.915) 39.057 24.269 ( -42.291 -3.122 -3.277) 42.533 28.042 ( 6.221 -1.538 -0.553) 6.432 28.086 ( 2.964 -3.165 2.191) 4.858 ======================= Grid point 102 (42/95) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 1.760 10.636 17.493) 20.548 0.601 ( -0.521 15.625 16.345) 22.618 1.049 ( -3.029 23.260 21.963) 32.134 1.144 ( 0.932 6.488 -8.973) 11.112 1.321 ( 0.538 11.771 -16.150) 19.992 1.723 ( -3.275 5.552 4.399) 7.804 1.875 ( 1.790 4.963 4.205) 6.747 1.912 ( -2.984 1.083 9.914) 10.410 2.063 ( 2.440 -0.618 -1.565) 2.964 2.136 ( -1.717 1.958 1.097) 2.826 2.208 ( 2.983 1.551 -6.839) 7.620 2.337 ( -0.943 -5.134 1.690) 5.486 2.475 ( -1.823 -4.579 4.822) 6.895 2.547 ( -0.916 -3.583 -9.575) 10.264 2.568 ( 0.305 2.704 -6.259) 6.825 2.861 ( -0.208 -3.454 -1.508) 3.774 2.969 ( 2.022 -0.092 -7.219) 7.497 3.017 ( 0.480 -3.325 -2.070) 3.946 3.090 ( 5.044 -0.823 -0.537) 5.139 3.196 ( -5.034 0.185 -3.033) 5.880 3.222 ( 0.054 0.994 2.593) 2.778 3.271 ( 0.583 -5.390 -0.297) 5.430 3.286 ( 1.331 -2.393 -3.353) 4.329 3.355 ( -0.550 -0.055 -1.705) 1.793 3.656 ( -1.575 -1.202 3.802) 4.287 3.774 ( 0.234 6.439 -3.170) 7.180 3.802 ( -0.779 -1.295 8.985) 9.111 3.903 ( -0.898 -0.827 -1.248) 1.746 4.126 ( -3.524 0.973 -0.002) 3.655 4.171 ( 13.278 -0.529 -1.777) 13.407 4.276 ( 5.680 -1.377 1.581) 6.055 4.364 ( 1.163 4.182 0.233) 4.347 4.419 ( -13.511 -1.865 1.844) 13.763 4.566 ( -11.764 -7.734 5.205) 15.010 5.032 ( -3.137 -1.298 -0.336) 3.411 5.284 ( 9.503 -6.787 12.534) 17.131 5.342 ( 6.351 -0.570 -13.439) 14.875 5.679 ( 10.241 -1.662 -4.669) 11.377 5.854 ( -7.901 -1.750 5.167) 9.601 6.028 ( 0.471 0.796 -1.910) 2.122 7.354 ( -9.115 -3.732 3.426) 10.428 7.396 ( 4.470 2.835 1.095) 5.405 7.578 ( 0.944 -2.615 -2.017) 3.434 7.668 ( -2.191 1.944 -12.759) 13.091 7.803 ( 5.237 -0.558 5.300) 7.472 8.025 ( -1.347 1.267 -1.612) 2.453 8.638 ( 6.374 0.908 3.973) 7.565 8.772 ( 0.046 1.208 -1.756) 2.131 9.371 ( -3.940 -0.198 1.662) 4.281 9.446 ( 6.256 2.591 -1.589) 6.955 9.530 ( -10.273 -10.358 17.039) 22.431 9.764 ( 1.140 -2.509 -1.678) 3.226 9.888 ( -5.293 0.312 5.474) 7.621 10.252 ( 5.253 7.167 0.739) 8.917 10.613 ( 1.252 -5.079 -9.220) 10.601 10.792 ( 2.723 1.122 -7.086) 7.674 11.250 ( -4.948 -5.004 10.527) 12.662 11.558 ( 2.278 -4.932 -2.742) 6.086 13.268 ( -1.198 1.422 2.203) 2.883 13.441 ( 0.740 4.623 -8.460) 9.669 19.675 ( -1.494 4.628 2.557) 5.494 19.790 ( 1.063 3.122 -2.272) 4.005 20.044 ( 0.620 4.509 6.595) 8.013 20.455 ( -1.152 8.892 -12.621) 15.481 22.095 ( -7.271 -6.445 4.845) 10.857 22.285 ( 49.770 0.411 -4.437) 49.969 22.523 ( 0.518 -6.723 3.185) 7.457 22.728 ( -37.596 -16.566 -1.165) 41.100 23.591 ( -3.532 3.084 5.213) 7.011 23.761 ( 1.014 4.487 -2.582) 5.275 28.070 ( -7.258 -4.032 4.889) 9.636 28.153 ( 2.050 -0.765 -0.658) 2.285 ======================= Grid point 105 (43/95) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 9.191 -0.000 1.160) 9.264 1.279 ( 5.107 -0.000 -0.490) 5.131 1.464 ( 11.063 -0.000 6.401) 12.782 1.506 ( 1.123 -0.000 -1.657) 2.001 1.766 ( -5.885 0.000 -3.665) 6.933 1.832 ( -0.736 0.000 9.821) 9.849 1.989 ( 8.911 -0.000 -7.682) 11.765 2.081 ( 1.933 -0.000 5.166) 5.516 2.214 ( 6.835 -0.000 -5.148) 8.557 2.239 ( -5.681 0.000 -2.483) 6.200 2.329 ( 4.062 -0.000 3.542) 5.390 2.446 ( -0.296 0.000 0.531) 0.608 2.455 ( -1.655 0.000 2.619) 3.098 2.523 ( 3.945 -0.000 -2.555) 4.700 2.621 ( 0.723 -0.000 -7.278) 7.314 2.654 ( -11.351 0.000 -1.117) 11.406 2.763 ( -7.223 0.000 -1.106) 7.307 2.773 ( 5.829 -0.000 1.377) 5.989 2.975 ( 4.893 -0.000 8.375) 9.699 3.036 ( -1.807 0.000 1.437) 2.308 3.146 ( 2.501 -0.000 0.568) 2.565 3.204 ( 5.491 -0.000 -3.590) 6.560 3.282 ( 1.504 -0.000 -6.260) 6.439 3.500 ( -6.408 0.000 3.952) 7.529 3.753 ( -1.727 0.000 0.657) 1.848 3.776 ( 5.138 -0.000 -0.292) 5.146 3.812 ( -2.596 0.000 -2.101) 3.340 4.012 ( -2.612 0.000 -2.625) 3.703 4.018 ( 5.582 -0.000 0.873) 5.650 4.118 ( 2.589 -0.000 -0.609) 2.660 4.220 ( 3.638 -0.000 -0.290) 3.650 4.226 ( -2.454 0.000 0.689) 2.549 4.707 ( -2.639 0.000 7.120) 7.593 4.774 ( -3.581 0.000 -7.058) 7.915 5.457 ( 1.693 -0.000 1.681) 2.386 5.651 ( -5.113 0.000 -1.859) 5.441 6.149 ( 1.094 -0.000 -0.980) 1.468 6.210 ( -5.770 0.000 4.540) 7.342 6.922 ( 19.690 -0.000 -1.453) 19.744 7.062 ( 14.914 -0.000 -0.638) 14.928 7.417 ( -3.887 0.000 -3.433) 5.186 7.455 ( -7.211 0.000 0.536) 7.231 7.613 ( 6.056 -0.000 3.114) 6.810 7.953 ( -0.031 0.000 1.930) 1.930 7.986 ( 2.386 -0.000 3.384) 4.141 8.045 ( -0.549 0.000 -4.301) 4.335 8.313 ( -22.413 0.000 12.063) 25.454 8.443 ( 11.016 -0.000 -10.233) 15.036 9.355 ( 4.018 -0.000 -6.903) 7.987 9.647 ( 1.935 -0.000 2.686) 3.311 9.907 ( -7.038 0.000 7.088) 9.988 10.245 ( 7.957 -0.000 -11.878) 14.297 10.321 ( -3.632 0.000 5.957) 6.977 10.561 ( 2.698 -0.000 -1.128) 2.924 10.990 ( 1.645 -0.000 -10.737) 10.862 11.037 ( -0.680 0.000 12.904) 12.922 11.328 ( 6.347 -0.000 1.698) 6.570 11.574 ( -7.064 0.000 -2.657) 7.547 13.394 ( 4.176 -0.000 4.061) 5.825 13.501 ( -1.069 0.000 -3.258) 3.429 19.802 ( 5.322 -0.000 -0.352) 5.334 19.846 ( -0.386 0.000 -2.075) 2.111 19.987 ( 4.478 -0.000 6.062) 7.536 20.405 ( 10.630 -0.000 -3.084) 11.068 20.757 ( -5.322 0.000 -8.181) 9.760 20.957 ( 3.419 -0.000 10.791) 11.320 21.737 ( -9.417 0.000 7.663) 12.141 21.749 ( -17.630 0.000 -10.245) 20.391 25.824 ( 5.983 -0.000 -2.048) 6.324 25.856 ( 9.483 -0.000 2.047) 9.701 27.569 ( -7.121 0.000 0.822) 7.168 27.674 ( -3.178 0.000 -1.097) 3.362 ======================= Grid point 106 (44/95) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 3.152 2.996 2.138) 4.846 1.409 ( 5.078 -2.620 -5.067) 7.637 1.448 ( -2.676 1.255 3.502) 4.582 1.673 ( 2.967 1.971 -0.028) 3.562 1.704 ( 7.203 -1.484 5.204) 9.009 1.877 ( 1.870 -3.947 1.996) 4.802 2.089 ( 2.644 3.721 0.128) 4.566 2.120 ( -1.665 3.732 -0.020) 4.087 2.199 ( 1.715 -1.344 -4.971) 5.427 2.240 ( -1.786 -2.437 1.606) 3.422 2.336 ( -2.597 1.323 3.636) 4.660 2.414 ( -0.602 0.361 2.220) 2.329 2.477 ( -4.407 -1.358 1.876) 4.979 2.487 ( 2.758 1.066 -1.547) 3.337 2.551 ( -3.345 -1.788 -6.566) 7.583 2.612 ( 4.684 0.934 -3.039) 5.661 2.726 ( 0.495 -0.577 -5.650) 5.701 2.870 ( 0.437 -4.020 0.305) 4.055 2.981 ( 1.365 1.598 1.046) 2.348 3.135 ( 2.042 2.824 3.243) 4.760 3.187 ( 5.822 -1.337 4.142) 7.269 3.278 ( 1.527 1.179 0.285) 1.950 3.318 ( 3.921 1.495 -3.404) 5.403 3.395 ( -2.515 -2.747 2.131) 4.291 3.640 ( -4.254 9.080 1.098) 10.087 3.767 ( -4.145 -2.217 -1.435) 4.915 3.888 ( 4.362 -1.257 1.420) 4.756 3.943 ( -5.394 -1.582 1.649) 5.858 4.109 ( -5.433 1.866 0.380) 5.757 4.142 ( 4.379 1.099 -2.380) 5.104 4.201 ( 4.132 -1.719 -0.541) 4.508 4.221 ( -3.596 -0.183 -4.409) 5.692 4.660 ( -2.016 0.089 4.131) 4.598 4.720 ( -3.111 -3.015 -3.473) 5.552 5.425 ( -5.717 -0.937 3.221) 6.628 5.536 ( -7.668 -1.264 -5.389) 9.458 6.080 ( -5.784 2.005 1.597) 6.327 6.145 ( -4.388 -2.320 3.038) 5.820 7.031 ( -10.690 0.871 2.456) 11.003 7.061 ( -11.485 0.254 -2.177) 11.693 7.307 ( -8.205 -0.783 -0.995) 8.302 7.391 ( 2.176 0.464 -2.794) 3.572 7.840 ( 2.305 2.601 -0.822) 3.571 7.890 ( 1.094 -1.897 1.075) 2.439 7.895 ( -9.349 1.859 7.065) 11.865 8.058 ( 0.377 -3.156 -4.449) 5.468 8.161 ( 11.041 0.755 2.576) 11.363 8.628 ( 8.284 -1.499 -2.715) 8.846 9.415 ( 2.577 1.739 -5.355) 6.192 9.663 ( -1.561 -2.143 5.949) 6.513 9.796 ( -3.430 1.155 3.163) 4.807 10.218 ( -6.932 0.969 4.939) 8.566 10.316 ( 0.323 0.654 -11.315) 11.338 10.520 ( -6.713 -0.652 -2.185) 7.089 10.997 ( -0.211 2.022 -1.217) 2.369 11.019 ( -2.628 -0.058 6.065) 6.611 11.366 ( -1.924 0.610 2.315) 3.071 11.425 ( -9.804 -4.337 -2.387) 10.983 13.445 ( -1.052 1.304 -0.323) 1.706 13.475 ( 0.631 -1.304 0.485) 1.527 19.839 ( 1.326 1.646 -1.345) 2.505 19.906 ( 4.249 -2.066 0.659) 4.771 20.098 ( 8.507 4.254 4.013) 10.323 20.626 ( 14.641 2.803 -0.218) 14.908 20.719 ( 0.914 -0.817 -6.401) 6.518 21.091 ( 6.326 -6.827 7.558) 11.989 21.494 ( -7.927 0.177 -8.900) 11.920 21.624 ( -1.746 2.274 4.634) 5.450 25.760 ( -13.331 -0.896 -2.526) 13.597 25.814 ( -13.880 0.046 2.479) 14.100 27.548 ( 4.643 -0.170 -0.489) 4.672 27.679 ( 3.875 0.104 0.517) 3.910 ======================= Grid point 107 (45/95) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -2.112 4.652 -2.442) 5.663 1.383 ( 2.441 0.326 1.306) 2.788 1.527 ( 5.217 3.599 -0.928) 6.406 1.711 ( 4.849 2.762 -1.205) 5.709 1.823 ( 0.183 -2.328 3.041) 3.834 1.902 ( -7.366 9.265 4.499) 12.662 1.993 ( 5.436 -5.875 -1.633) 8.169 2.099 ( 0.279 1.325 2.385) 2.743 2.190 ( -1.393 1.787 -7.242) 7.588 2.290 ( -3.846 2.492 2.013) 5.006 2.325 ( 0.644 1.503 5.001) 5.262 2.364 ( 0.583 0.426 -0.537) 0.900 2.443 ( 0.439 -8.399 2.701) 8.834 2.527 ( 2.200 -0.815 -0.357) 2.373 2.602 ( 3.079 0.797 -1.176) 3.391 2.672 ( 2.007 -1.923 -6.418) 6.995 2.741 ( -0.563 -2.659 -0.599) 2.783 2.858 ( -4.615 -0.437 -0.855) 4.714 3.010 ( 2.912 3.370 0.066) 4.455 3.101 ( 0.351 1.382 1.855) 2.340 3.176 ( -1.726 2.560 0.642) 3.154 3.295 ( -0.473 5.649 1.275) 5.810 3.379 ( -2.086 6.679 3.918) 8.019 3.479 ( 5.190 -3.828 -0.120) 6.450 3.517 ( 4.074 -1.446 0.294) 4.333 3.644 ( -6.199 7.012 -3.835) 10.115 3.850 ( -6.927 -4.757 5.043) 9.800 3.968 ( 0.464 -1.072 0.645) 1.335 4.001 ( -1.415 -0.491 -0.989) 1.795 4.111 ( -6.987 -1.302 -6.466) 9.609 4.198 ( 3.150 2.411 -1.099) 4.116 4.300 ( 3.673 -1.316 -0.486) 3.932 4.635 ( -2.173 -0.260 3.196) 3.873 4.712 ( -2.316 -5.249 -2.578) 6.290 5.285 ( -11.661 -4.499 5.066) 13.486 5.396 ( -9.910 -3.395 -6.965) 12.579 5.941 ( -9.649 -1.370 -0.703) 9.771 6.064 ( -6.830 -1.364 3.999) 8.032 6.622 ( -30.396 1.520 1.506) 30.471 6.751 ( -19.090 1.026 4.151) 19.563 7.194 ( -3.785 -1.733 -5.887) 7.210 7.362 ( -4.844 -0.272 -6.254) 7.915 7.727 ( -6.355 1.385 0.571) 6.529 7.816 ( 0.714 1.606 4.097) 4.458 7.927 ( -2.220 1.060 3.681) 4.428 8.092 ( -1.014 -6.442 3.001) 7.179 8.486 ( 19.817 1.533 -9.126) 21.871 8.759 ( 5.184 -0.028 4.873) 7.115 9.409 ( -0.444 0.955 -0.217) 1.075 9.623 ( -7.277 -4.382 6.194) 10.513 9.756 ( 1.271 6.066 -7.460) 9.699 10.070 ( -9.443 -1.802 6.228) 11.455 10.254 ( -5.906 0.908 -8.197) 10.143 10.366 ( -8.828 -0.845 -1.119) 8.939 10.920 ( -6.596 1.257 5.890) 8.932 10.938 ( -4.808 1.914 -3.747) 6.389 11.310 ( -7.538 -6.802 -2.542) 10.467 11.313 ( -5.084 -2.241 5.185) 7.599 13.377 ( -4.508 -0.821 -2.929) 5.438 13.509 ( 1.774 1.083 2.440) 3.206 19.853 ( 2.411 2.750 -0.987) 3.788 19.990 ( 3.664 0.562 1.999) 4.211 20.185 ( 7.404 8.796 2.818) 11.838 20.775 ( 3.226 -0.412 -9.620) 10.154 20.857 ( 15.516 7.155 4.175) 17.589 21.236 ( 4.451 -6.306 3.233) 8.368 21.567 ( 10.836 -6.763 -1.856) 12.907 21.657 ( 8.135 -0.437 0.227) 8.150 25.379 ( -29.337 -1.586 -1.467) 29.417 25.418 ( -28.681 -2.030 1.163) 28.776 27.697 ( 10.280 0.023 -1.143) 10.344 27.793 ( 7.603 -0.532 1.407) 7.750 ======================= Grid point 108 (46/95) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -5.240 9.249 -1.419) 10.725 1.469 ( -5.449 10.749 5.233) 13.138 1.515 ( 10.199 1.694 0.949) 10.382 1.693 ( 0.538 8.228 -1.865) 8.454 1.808 ( -2.701 -2.452 1.308) 3.875 1.843 ( 4.409 4.739 -3.957) 7.587 2.008 ( -8.578 -0.329 -2.109) 8.840 2.071 ( -0.043 1.400 1.721) 2.219 2.173 ( 1.311 -1.148 -5.138) 5.425 2.210 ( -4.542 1.012 0.447) 4.675 2.288 ( 1.785 2.434 7.154) 7.765 2.390 ( -0.593 0.436 1.204) 1.411 2.527 ( -4.225 -0.508 -1.035) 4.380 2.552 ( -1.318 5.434 -0.033) 5.592 2.622 ( 0.720 2.824 5.106) 5.879 2.658 ( 1.736 -7.366 2.757) 8.054 2.767 ( -0.116 1.458 -2.380) 2.793 2.821 ( 2.715 -7.203 -1.790) 7.903 3.046 ( 3.969 3.053 -2.323) 5.520 3.098 ( -2.586 0.492 1.098) 2.852 3.133 ( 2.163 2.878 -0.629) 3.654 3.180 ( 0.725 9.888 -0.767) 9.944 3.283 ( -0.684 5.237 -1.526) 5.498 3.476 ( -3.237 4.594 -4.782) 7.379 3.624 ( 2.300 -6.213 1.087) 6.713 3.657 ( 5.153 -4.047 1.236) 6.668 3.806 ( -2.880 -5.839 3.616) 7.448 3.923 ( -2.994 1.397 0.588) 3.356 4.019 ( -3.514 -1.738 -3.561) 5.297 4.047 ( 1.621 -1.480 -0.267) 2.211 4.226 ( 2.867 2.089 1.281) 3.771 4.361 ( 2.449 -0.515 -0.478) 2.548 4.537 ( -9.345 0.041 3.424) 9.953 4.701 ( -5.671 -5.487 -4.772) 9.222 5.149 ( -9.142 -8.315 5.985) 13.730 5.263 ( -7.365 -4.776 -7.139) 11.315 5.741 ( -15.312 -4.669 -4.738) 16.695 5.831 ( -24.381 1.804 6.782) 25.371 6.136 ( -15.198 -1.973 -0.479) 15.333 6.396 ( -18.255 1.653 5.355) 19.096 7.186 ( 1.683 -1.197 -5.731) 6.091 7.322 ( 0.967 -2.228 -8.877) 9.203 7.589 ( -10.138 -2.637 6.547) 12.353 7.783 ( -3.109 2.715 -0.588) 4.169 7.832 ( -6.377 0.521 1.596) 6.594 8.160 ( 0.956 -6.631 9.390) 11.535 8.714 ( 6.868 3.752 -6.910) 10.440 8.833 ( 3.593 1.661 -1.277) 4.159 9.408 ( -0.481 -0.564 5.896) 5.942 9.482 ( -8.483 -1.720 0.839) 8.696 9.717 ( 0.456 4.115 -10.654) 11.431 9.915 ( -10.291 -1.301 8.214) 13.231 10.057 ( -9.442 4.703 0.624) 10.567 10.325 ( -1.710 -7.711 -5.894) 9.856 10.789 ( -6.064 3.696 3.438) 7.890 10.806 ( -6.681 0.294 -5.548) 8.689 11.196 ( -9.073 -5.852 10.808) 15.276 11.319 ( -1.098 -5.987 -4.509) 7.575 13.314 ( -3.290 -1.556 -1.281) 3.858 13.517 ( 0.714 2.098 0.236) 2.229 19.866 ( 2.840 4.714 -0.729) 5.552 20.012 ( 1.195 4.740 1.285) 5.054 20.207 ( 4.900 9.693 4.725) 11.845 20.765 ( -1.372 3.791 -9.366) 10.197 21.123 ( 23.697 9.000 1.814) 25.413 21.476 ( 10.300 -12.784 5.505) 17.316 21.805 ( 17.034 3.823 0.191) 17.459 21.995 ( 15.735 -15.033 -3.157) 21.990 24.774 ( -37.721 -1.822 0.747) 37.772 24.860 ( -35.566 -3.893 -1.392) 35.806 27.881 ( 9.365 -0.013 -0.938) 9.412 27.937 ( 6.728 -1.262 1.494) 7.007 ======================= Grid point 109 (47/95) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -5.616 12.516 8.246) 16.006 1.178 ( -11.502 15.138 10.178) 21.565 1.496 ( -10.331 8.103 -7.617) 15.179 1.593 ( 0.468 10.129 -6.380) 11.980 1.828 ( 2.643 9.847 -0.438) 10.205 1.866 ( 1.976 -0.171 2.354) 3.078 1.953 ( 5.683 -0.355 1.999) 6.035 2.054 ( 0.266 2.565 -0.161) 2.584 2.076 ( -5.027 5.327 3.465) 8.102 2.227 ( -0.419 8.250 -2.423) 8.609 2.254 ( -4.454 0.690 1.802) 4.854 2.321 ( 0.676 2.340 0.763) 2.552 2.359 ( 0.291 -1.182 3.123) 3.352 2.475 ( -3.881 6.180 4.307) 8.474 2.736 ( 0.871 -8.103 0.495) 8.164 2.758 ( 4.946 -2.331 -1.266) 5.612 2.836 ( 3.870 -2.162 -2.830) 5.260 2.894 ( 2.162 2.590 -5.348) 6.323 3.032 ( -2.048 0.929 -2.177) 3.130 3.076 ( 0.033 -3.690 0.848) 3.786 3.157 ( 5.304 3.222 -7.308) 9.588 3.186 ( 3.686 -0.116 1.582) 4.013 3.275 ( 2.172 3.422 -0.659) 4.106 3.419 ( -1.832 0.335 -3.337) 3.821 3.663 ( -2.676 -3.057 2.404) 4.721 3.728 ( 0.149 -4.250 -0.866) 4.340 3.839 ( -1.994 -1.526 -0.291) 2.528 3.886 ( -1.186 -3.969 1.035) 4.270 4.010 ( 2.528 -0.702 1.872) 3.222 4.095 ( 2.279 -2.429 0.505) 3.369 4.257 ( -0.501 1.536 6.862) 7.050 4.361 ( -5.546 -2.267 3.251) 6.817 4.404 ( 0.079 -1.877 -5.349) 5.669 4.595 ( -8.881 -2.585 -2.816) 9.668 5.100 ( -5.874 -7.125 7.290) 11.766 5.231 ( -2.324 -4.066 -10.110) 11.142 5.342 ( -21.203 0.108 4.988) 21.782 5.540 ( -9.603 -6.898 -5.081) 12.869 5.999 ( -7.001 0.368 2.799) 7.549 6.102 ( -10.344 0.604 0.450) 10.371 7.279 ( 5.182 -1.028 -2.337) 5.777 7.398 ( 2.554 -4.996 -7.854) 9.653 7.424 ( -10.685 -5.727 12.041) 17.087 7.712 ( -0.475 -0.455 -2.665) 2.745 7.715 ( -5.296 1.090 0.511) 5.431 8.204 ( -2.607 -0.955 4.687) 5.447 8.710 ( -5.384 1.020 -7.011) 8.898 8.795 ( -0.497 2.504 1.168) 2.807 9.410 ( 2.152 0.622 1.117) 2.503 9.438 ( 0.039 0.278 2.748) 2.762 9.661 ( -6.170 0.933 -0.102) 6.241 9.739 ( -4.362 3.865 1.086) 5.928 9.925 ( -3.253 -1.071 5.458) 6.444 10.371 ( -0.789 -5.287 -12.750) 13.825 10.616 ( -5.176 7.634 4.443) 10.238 10.746 ( -1.508 -2.438 -5.527) 6.227 11.118 ( -7.190 -8.386 13.321) 17.305 11.371 ( 0.579 -6.319 -4.814) 7.965 13.291 ( -0.844 -1.257 1.116) 1.881 13.501 ( -0.075 2.038 -3.223) 3.814 19.861 ( 2.290 6.749 -0.239) 7.131 19.949 ( -1.389 7.146 -0.342) 7.288 20.195 ( 3.053 8.613 7.358) 11.732 20.688 ( -1.118 6.099 -9.180) 11.078 21.558 ( 30.176 3.251 0.524) 30.355 21.788 ( 9.384 -13.438 6.455) 17.616 22.142 ( 22.122 1.772 -1.281) 22.229 22.392 ( 9.595 -15.964 -3.137) 18.888 24.098 ( -36.669 -0.996 2.059) 36.741 24.234 ( -34.556 -1.753 -2.741) 34.708 28.010 ( 3.397 -1.310 2.553) 4.447 28.056 ( 5.413 -0.949 -1.230) 5.632 ======================= Grid point 110 (48/95) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 3.253 13.634 13.615) 19.540 0.895 ( -1.269 15.871 15.390) 22.144 1.279 ( -0.300 8.767 -9.200) 12.712 1.468 ( -0.036 14.465 -8.160) 16.608 1.656 ( -1.049 23.339 5.550) 24.013 1.846 ( -2.422 4.384 2.945) 5.810 1.929 ( -0.726 5.873 4.581) 7.484 2.036 ( 2.047 7.106 -0.015) 7.395 2.086 ( -3.160 2.308 -1.535) 4.203 2.170 ( 3.153 0.020 6.539) 7.259 2.224 ( 2.933 1.120 -0.994) 3.293 2.289 ( -1.659 2.842 2.453) 4.105 2.406 ( -0.969 -1.066 0.436) 1.505 2.423 ( -1.538 -7.982 -4.356) 9.223 2.699 ( -1.975 6.435 -4.770) 8.250 2.799 ( -0.875 -2.894 -1.582) 3.412 2.923 ( 0.464 -5.311 -6.155) 8.142 2.949 ( 3.433 -1.410 -5.025) 6.247 3.074 ( 3.751 -1.927 2.296) 4.802 3.116 ( -2.128 -7.613 1.490) 8.044 3.215 ( -3.423 1.805 -4.538) 5.964 3.239 ( 2.494 -2.499 -5.538) 6.568 3.254 ( 1.847 1.777 2.531) 3.602 3.375 ( -1.564 1.910 -1.585) 2.934 3.635 ( -0.843 -0.960 2.113) 2.469 3.768 ( -0.276 -2.746 3.492) 4.451 3.826 ( 0.451 -0.386 -2.033) 2.118 3.866 ( -0.838 -2.748 -2.703) 3.945 4.106 ( -2.128 -4.003 3.762) 5.891 4.170 ( 8.795 0.232 -0.435) 8.809 4.231 ( -0.363 -2.299 3.110) 3.885 4.377 ( -2.140 -5.779 1.314) 6.301 4.383 ( -2.083 -1.042 1.523) 2.783 4.478 ( -5.067 1.152 0.667) 5.239 5.013 ( -5.146 -1.418 1.037) 5.438 5.177 ( 2.925 -4.576 9.375) 10.835 5.313 ( 7.379 -3.059 -11.906) 14.337 5.584 ( 5.209 -7.887 -6.537) 11.492 5.834 ( -6.232 0.481 8.664) 10.684 6.056 ( 3.305 1.913 -3.847) 5.420 7.233 ( -7.972 -7.241 6.251) 12.452 7.419 ( 1.809 0.106 1.758) 2.524 7.519 ( 3.367 -4.304 -2.460) 5.993 7.655 ( 0.080 -1.055 -2.416) 2.638 7.796 ( 6.505 -1.027 0.441) 6.600 8.053 ( -10.273 0.669 -5.502) 11.673 8.651 ( 4.135 0.233 4.928) 6.438 8.803 ( 0.699 1.998 -1.984) 2.902 9.360 ( -4.587 0.887 3.250) 5.691 9.483 ( -4.914 1.229 1.019) 5.166 9.526 ( 4.380 4.305 5.778) 8.432 9.728 ( 3.385 -0.333 -2.088) 3.991 9.903 ( -1.703 1.004 6.220) 6.526 10.382 ( 4.588 4.744 -10.205) 12.153 10.532 ( -0.908 -1.784 -0.927) 2.206 10.778 ( 2.200 -2.635 -5.981) 6.896 11.102 ( -4.719 -9.068 13.699) 17.093 11.451 ( 1.700 -6.422 -3.758) 7.632 13.292 ( 0.070 0.777 2.538) 2.655 13.480 ( -0.510 0.672 -6.377) 6.432 19.801 ( -1.184 8.494 1.195) 8.659 19.874 ( 0.734 5.448 -1.661) 5.743 20.158 ( 0.834 7.578 8.213) 11.206 20.601 ( -1.509 6.895 -10.254) 12.448 21.910 ( -3.759 -13.115 5.188) 14.596 22.213 ( 25.165 -10.162 -6.795) 27.977 22.419 ( -11.430 -3.865 1.674) 12.182 22.479 ( -7.081 -7.227 0.335) 10.124 23.647 ( -1.034 2.965 4.736) 5.682 23.836 ( -0.114 2.871 -3.570) 4.583 28.025 ( -2.972 -1.210 3.916) 5.063 28.134 ( 1.569 -1.138 -1.285) 2.325 ======================= Grid point 111 (49/95) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 11.468 12.249 11.200) 20.174 0.874 ( 13.739 13.232 10.518) 21.783 1.321 ( 0.908 13.608 0.803) 13.662 1.354 ( 13.873 9.257 -7.271) 18.194 1.523 ( 9.160 16.395 -3.732) 19.147 1.705 ( -3.109 8.083 3.139) 9.212 1.900 ( -0.979 -0.530 3.447) 3.622 1.925 ( 0.107 9.295 1.827) 9.473 2.091 ( -1.470 -0.383 3.806) 4.098 2.122 ( 1.821 1.165 3.024) 3.717 2.256 ( 1.860 3.861 -1.214) 4.454 2.358 ( 2.662 -5.153 1.875) 6.096 2.389 ( -3.091 -1.796 0.555) 3.618 2.447 ( -0.973 -4.761 -2.255) 5.357 2.625 ( 0.710 5.805 -6.928) 9.066 2.815 ( -0.296 -2.751 -3.727) 4.642 2.910 ( -7.999 -3.821 -3.715) 9.612 2.979 ( -0.369 0.604 -5.338) 5.384 3.073 ( -5.343 2.680 -3.748) 7.055 3.093 ( -3.472 -1.792 2.554) 4.668 3.154 ( -2.122 -8.507 -0.867) 8.811 3.276 ( -0.290 -1.903 -1.873) 2.686 3.319 ( -1.253 -3.528 -0.579) 3.789 3.339 ( 2.858 0.610 -1.014) 3.094 3.674 ( 3.697 -0.770 1.931) 4.241 3.819 ( 2.746 -0.769 9.249) 9.679 3.849 ( 2.334 0.657 -5.874) 6.354 3.918 ( 1.144 -3.605 -3.271) 5.001 4.067 ( -4.734 -1.745 5.614) 7.548 4.115 ( -5.489 1.113 0.662) 5.639 4.295 ( -10.552 -2.662 4.620) 11.822 4.312 ( -1.128 1.389 1.132) 2.118 4.464 ( 8.766 0.567 1.376) 8.891 4.518 ( 14.337 -0.574 -7.259) 16.080 5.003 ( 2.010 -1.060 0.143) 2.277 5.451 ( 15.549 -10.139 6.417) 19.640 5.572 ( 19.224 -0.078 -8.066) 20.848 5.686 ( -0.952 -5.849 -0.525) 5.949 5.947 ( 14.258 -3.673 5.297) 15.648 6.157 ( 11.166 2.694 -1.281) 11.558 7.175 ( -5.912 -2.539 1.291) 6.562 7.457 ( 0.270 -1.328 -1.724) 2.193 7.603 ( 4.715 -3.722 -1.210) 6.128 7.654 ( 4.639 2.281 -4.324) 6.739 7.846 ( -2.004 -1.934 1.709) 3.268 8.050 ( 4.945 -2.124 5.229) 7.503 8.708 ( -9.106 3.480 -1.209) 9.823 8.884 ( 16.743 -2.498 -11.070) 20.227 9.270 ( -4.774 -2.362 7.323) 9.055 9.398 ( -0.757 -1.196 4.368) 4.592 9.591 ( 3.959 3.945 2.132) 5.982 9.853 ( 7.157 -3.177 -0.938) 7.887 9.891 ( 6.761 3.899 4.790) 9.157 10.455 ( 6.937 6.862 6.701) 11.837 10.597 ( 4.995 -5.760 -14.115) 16.042 10.859 ( 4.303 -2.209 -8.055) 9.396 11.108 ( -3.824 -6.200 12.724) 14.662 11.546 ( 2.345 -5.714 -1.602) 6.381 13.274 ( -0.270 2.130 1.400) 2.563 13.466 ( 0.346 1.317 -4.458) 4.661 19.703 ( -1.227 5.967 1.206) 6.210 19.857 ( 2.179 4.267 -1.271) 4.957 20.091 ( -1.348 6.266 7.678) 10.002 20.482 ( -3.826 7.953 -11.856) 14.780 21.700 ( -30.827 4.967 12.344) 33.576 21.753 ( -31.802 2.234 -0.693) 31.888 22.359 ( -14.975 -8.842 9.596) 19.863 22.572 ( -5.127 -17.603 -14.239) 23.214 24.153 ( 41.142 -3.526 1.805) 41.333 24.228 ( 41.000 -0.574 -3.890) 41.188 27.951 ( -4.845 0.120 1.573) 5.095 28.116 ( -5.010 -1.170 0.734) 5.197 ======================= Grid point 115 (50/95) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 2.968 -0.000 3.137) 4.319 1.360 ( -2.944 0.000 -3.631) 4.674 1.586 ( 10.111 -0.000 -0.088) 10.112 1.728 ( 1.229 -0.000 1.824) 2.200 1.867 ( -0.609 0.000 -0.049) 0.611 1.871 ( 9.317 -0.000 1.779) 9.485 2.024 ( -8.621 0.000 5.158) 10.046 2.134 ( 1.360 -0.000 -2.071) 2.478 2.167 ( -2.368 0.000 -0.008) 2.368 2.294 ( 5.693 -0.000 0.101) 5.694 2.311 ( -1.031 0.000 6.381) 6.464 2.368 ( -2.912 0.000 -3.453) 4.517 2.401 ( -5.320 0.000 2.862) 6.041 2.508 ( 2.423 -0.000 -4.205) 4.853 2.578 ( 4.442 -0.000 -3.144) 5.442 2.693 ( 1.590 -0.000 0.477) 1.660 2.729 ( -0.359 0.000 -10.594) 10.600 2.832 ( -1.396 0.000 -0.468) 1.472 3.066 ( 5.693 -0.000 0.374) 5.705 3.097 ( -3.746 0.000 1.590) 4.069 3.215 ( -4.217 0.000 2.275) 4.792 3.324 ( 3.899 -0.000 2.773) 4.785 3.407 ( 2.990 -0.000 5.622) 6.368 3.433 ( 7.831 -0.000 -2.513) 8.224 3.617 ( -3.530 0.000 1.101) 3.698 3.710 ( -1.650 0.000 -1.030) 1.945 3.762 ( -12.027 0.000 5.581) 13.259 3.955 ( 3.305 -0.000 0.799) 3.400 4.006 ( -3.768 0.000 -0.901) 3.874 4.088 ( -9.118 0.000 -8.388) 12.389 4.241 ( 2.984 -0.000 -1.728) 3.448 4.270 ( 4.857 -0.000 -0.671) 4.903 4.634 ( -1.994 0.000 3.416) 3.956 4.653 ( -2.302 0.000 -2.474) 3.379 5.239 ( -13.560 0.000 6.100) 14.869 5.360 ( -10.455 0.000 -8.341) 13.375 5.927 ( -11.354 0.000 1.226) 11.420 6.053 ( -5.447 0.000 1.938) 5.782 6.638 ( -32.210 0.000 1.808) 32.261 6.762 ( -18.048 0.000 5.161) 18.771 7.177 ( -3.001 0.000 -6.445) 7.109 7.358 ( -5.956 0.000 -6.277) 8.653 7.740 ( -7.424 0.000 -1.982) 7.684 7.840 ( 2.518 -0.000 6.587) 7.052 7.962 ( -0.407 0.000 10.928) 10.936 7.994 ( -4.861 0.000 -4.939) 6.930 8.502 ( 20.394 -0.000 -9.534) 22.512 8.756 ( 6.477 -0.000 4.545) 7.913 9.424 ( -1.168 0.000 -0.912) 1.482 9.575 ( -7.627 0.000 11.030) 13.410 9.820 ( 3.700 -0.000 -6.560) 7.532 10.072 ( -8.586 0.000 4.905) 9.889 10.221 ( -9.335 0.000 -12.596) 15.678 10.382 ( -8.172 0.000 -2.672) 8.597 10.932 ( -8.078 0.000 -4.251) 9.128 10.962 ( -5.099 0.000 13.577) 14.503 11.232 ( -5.603 0.000 -7.160) 9.091 11.294 ( -6.666 0.000 6.234) 9.127 13.368 ( -4.959 0.000 -3.914) 6.318 13.521 ( 2.273 -0.000 3.285) 3.995 19.882 ( 2.725 -0.000 -1.168) 2.964 19.995 ( 5.848 -0.000 2.271) 6.273 20.292 ( 8.884 -0.000 1.771) 9.059 20.721 ( 2.899 -0.000 -0.107) 2.901 20.981 ( 18.655 -0.000 -6.691) 19.818 21.153 ( 3.120 -0.000 6.983) 7.648 21.469 ( 7.750 -0.000 -5.209) 9.338 21.680 ( 6.668 -0.000 2.070) 6.981 25.363 ( -28.640 0.000 -3.136) 28.811 25.398 ( -30.128 0.000 2.785) 30.256 27.698 ( 10.477 -0.000 -1.343) 10.563 27.788 ( 7.210 -0.000 1.670) 7.401 ======================= Grid point 117 (51/95) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.820 7.650 -2.265) 8.021 1.483 ( 9.500 -4.826 1.433) 10.752 1.633 ( -2.098 5.616 1.749) 6.245 1.719 ( -3.258 -0.788 1.902) 3.854 1.885 ( 4.584 4.800 8.461) 10.754 1.927 ( 2.816 3.159 -1.368) 4.447 1.981 ( -6.832 0.509 -1.401) 6.992 2.058 ( -4.673 -2.016 0.239) 5.096 2.181 ( 1.348 -1.431 -5.645) 5.978 2.228 ( -4.171 1.687 2.392) 5.096 2.331 ( -1.303 -0.578 -2.982) 3.305 2.357 ( 0.816 0.764 6.389) 6.486 2.414 ( 3.561 -5.665 0.912) 6.753 2.598 ( 6.755 -0.024 -1.189) 6.859 2.634 ( -2.748 2.205 -3.298) 4.826 2.671 ( 1.194 -4.333 -6.218) 7.672 2.702 ( -1.056 0.458 -0.288) 1.186 2.810 ( -0.332 1.996 -2.012) 2.853 3.080 ( -0.642 -0.284 1.377) 1.546 3.131 ( 2.706 2.352 2.653) 4.461 3.175 ( 1.408 1.391 0.531) 2.049 3.353 ( 0.843 3.250 -0.796) 3.451 3.397 ( -1.547 9.083 6.014) 11.003 3.540 ( 3.605 -1.589 0.399) 3.960 3.563 ( 1.039 -0.027 -2.477) 2.686 3.615 ( -5.383 0.523 0.386) 5.422 3.682 ( -2.813 -4.895 2.707) 6.261 3.927 ( -6.394 -1.984 -6.544) 9.362 3.987 ( -0.046 -0.191 -0.500) 0.537 4.025 ( 2.668 -0.825 -0.179) 2.799 4.260 ( 1.087 1.225 2.441) 2.940 4.357 ( 3.856 0.166 -0.798) 3.941 4.540 ( -9.617 0.173 4.526) 10.630 4.608 ( -5.234 -3.430 -5.658) 8.437 5.022 ( -10.137 -4.079 6.614) 12.772 5.186 ( -8.224 -2.603 -8.413) 12.049 5.678 ( -16.489 -1.742 -3.848) 17.021 5.857 ( -24.246 0.773 7.362) 25.351 6.116 ( -14.458 -0.434 -3.551) 14.894 6.425 ( -18.360 1.035 7.731) 19.948 7.176 ( 2.320 0.087 -8.893) 9.191 7.278 ( -1.193 -1.932 -5.698) 6.134 7.562 ( -12.808 -0.453 4.162) 13.475 7.835 ( -4.378 0.798 2.790) 5.253 7.844 ( -7.751 2.204 -1.603) 8.217 8.036 ( 4.656 -5.136 10.494) 12.577 8.774 ( 8.262 2.140 -12.000) 14.726 8.849 ( 3.309 0.158 1.932) 3.835 9.398 ( -5.800 -0.161 9.864) 11.444 9.431 ( -3.405 -2.142 4.202) 5.817 9.829 ( -1.170 4.065 -10.022) 10.878 9.931 ( -5.369 4.843 1.318) 7.350 10.085 ( -7.639 -6.219 -7.764) 12.542 10.220 ( -7.095 -0.032 -0.505) 7.113 10.772 ( -7.099 -0.380 -3.809) 8.066 10.850 ( -7.231 -0.085 9.496) 11.936 11.147 ( -6.915 1.121 5.704) 9.034 11.215 ( -1.912 -4.818 -2.953) 5.966 13.290 ( -3.491 -0.774 -1.924) 4.060 13.546 ( 0.830 0.876 0.854) 1.479 19.931 ( 3.406 1.806 -0.304) 3.868 20.085 ( 4.402 2.433 1.458) 5.236 20.385 ( 5.253 7.212 1.865) 9.115 20.781 ( 1.470 -1.431 -3.064) 3.687 21.218 ( 8.934 -0.045 5.012) 10.244 21.322 ( 15.904 -1.542 -3.695) 16.401 21.763 ( 18.813 -6.663 -0.864) 19.977 21.869 ( 14.719 1.162 -0.347) 14.769 24.761 ( -36.499 0.281 -1.371) 36.526 24.799 ( -35.818 -2.337 0.630) 35.900 27.884 ( 9.519 0.316 -1.432) 9.631 27.917 ( 6.257 -0.747 2.029) 6.620 ======================= Grid point 118 (52/95) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -3.230 13.024 5.665) 14.566 1.443 ( -9.186 12.618 9.821) 18.440 1.640 ( -7.210 5.966 -5.575) 10.893 1.692 ( -2.999 -0.795 -2.223) 3.817 1.795 ( 7.106 -7.703 3.309) 10.990 1.886 ( -0.369 0.446 -0.417) 0.713 1.998 ( 7.108 8.653 4.435) 12.044 2.085 ( 1.313 -8.493 -3.802) 9.397 2.148 ( -0.043 5.760 -8.717) 10.448 2.196 ( 0.506 3.567 1.403) 3.866 2.324 ( 0.326 1.058 4.622) 4.753 2.391 ( 0.538 0.115 2.713) 2.768 2.457 ( -5.272 2.874 -0.219) 6.009 2.555 ( -1.103 -4.225 0.100) 4.368 2.633 ( -0.800 7.825 3.024) 8.427 2.699 ( -0.475 -5.345 -1.902) 5.693 2.787 ( 6.583 -1.008 0.790) 6.706 2.863 ( 6.673 -3.089 -3.965) 8.354 3.020 ( -3.832 0.176 -1.729) 4.208 3.148 ( 0.903 4.137 0.153) 4.237 3.194 ( 1.678 3.748 0.486) 4.135 3.296 ( 0.888 7.573 -2.383) 7.989 3.358 ( 3.728 4.484 0.079) 5.832 3.463 ( -3.341 5.235 -6.527) 9.009 3.591 ( -0.366 -4.166 2.623) 4.937 3.657 ( 0.168 -3.561 0.071) 3.566 3.709 ( -0.765 -8.563 2.463) 8.943 3.851 ( -4.176 -2.749 -4.867) 6.977 3.991 ( -0.190 -0.441 3.488) 3.521 4.077 ( 3.043 0.210 1.429) 3.369 4.278 ( -0.176 0.574 6.382) 6.410 4.324 ( -7.381 -1.175 5.699) 9.399 4.394 ( -2.772 1.006 -6.859) 7.466 4.534 ( -4.683 -4.122 -3.906) 7.361 4.962 ( -4.153 -6.784 5.645) 9.754 5.139 ( -1.099 -4.859 -8.787) 10.101 5.345 ( -24.185 0.076 6.635) 25.079 5.428 ( -10.880 -4.171 -7.472) 13.842 6.028 ( -1.715 1.962 -2.215) 3.420 6.115 ( -12.798 0.656 4.713) 13.654 7.257 ( 5.236 -1.131 -5.734) 7.847 7.313 ( -13.982 -3.581 9.298) 17.169 7.343 ( 4.126 -2.789 -0.650) 5.023 7.713 ( -4.126 0.427 -1.288) 4.343 7.728 ( -5.380 0.113 0.377) 5.395 8.160 ( 1.719 -2.681 3.905) 5.039 8.715 ( -10.635 -0.128 -5.655) 12.046 8.852 ( 1.103 2.978 -0.454) 3.208 9.389 ( 4.003 -1.967 4.175) 6.109 9.435 ( 0.069 -0.404 2.998) 3.026 9.730 ( -4.804 5.551 -7.031) 10.165 9.814 ( -2.462 1.993 4.752) 5.711 9.951 ( -4.979 4.014 -2.030) 6.710 10.222 ( -0.354 -9.173 -7.887) 12.103 10.703 ( -2.505 -0.944 -0.956) 2.843 10.730 ( -4.498 1.767 1.843) 5.172 11.017 ( -6.730 -0.937 12.101) 13.878 11.251 ( 0.019 -6.111 -4.301) 7.472 13.264 ( -0.363 -1.293 1.076) 1.720 13.535 ( -0.792 1.446 -2.411) 2.921 19.963 ( 2.812 3.659 0.027) 4.615 20.087 ( 0.413 6.701 -0.356) 6.723 20.378 ( 3.445 9.996 5.389) 11.867 20.776 ( -0.586 2.960 -5.903) 6.630 21.432 ( 6.843 -11.791 6.730) 15.204 21.648 ( 16.948 -3.997 -4.336) 17.944 22.172 ( 18.884 1.145 -1.151) 18.954 22.179 ( 17.771 -6.328 -0.179) 18.864 24.102 ( -33.198 1.159 0.707) 33.225 24.193 ( -31.596 -2.505 -1.764) 31.744 27.996 ( 2.954 -0.286 2.633) 3.968 28.039 ( 5.794 -0.762 -1.698) 6.086 ======================= Grid point 119 (53/95) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 3.290 14.107 10.670) 17.991 1.188 ( -2.365 14.805 13.267) 20.020 1.447 ( -0.487 8.362 -6.813) 10.797 1.636 ( -1.780 3.771 -6.802) 7.978 1.871 ( -0.296 -0.084 0.969) 1.016 1.997 ( 1.634 3.948 2.713) 5.061 2.006 ( -0.923 2.248 3.823) 4.530 2.083 ( -1.023 1.312 -6.241) 6.459 2.138 ( 0.266 6.957 1.515) 7.125 2.234 ( 3.427 -6.004 -5.553) 8.867 2.286 ( -0.616 11.309 2.373) 11.572 2.314 ( -1.749 1.588 3.731) 4.416 2.351 ( -0.757 2.813 1.395) 3.230 2.529 ( 0.415 11.773 4.537) 12.624 2.635 ( -1.110 -10.176 2.783) 10.608 2.717 ( -1.352 -4.720 -1.466) 5.124 2.888 ( 1.215 -2.595 -0.583) 2.924 2.967 ( -1.535 -2.586 -3.157) 4.360 3.002 ( 4.095 2.244 -4.595) 6.551 3.077 ( -0.830 2.367 -0.003) 2.509 3.202 ( 0.870 -0.129 -3.247) 3.364 3.284 ( -3.397 2.770 0.389) 4.401 3.317 ( 4.486 7.503 -6.622) 10.967 3.413 ( -1.378 1.818 -2.122) 3.115 3.615 ( 0.096 -1.539 1.612) 2.231 3.692 ( 0.227 -4.595 0.687) 4.652 3.749 ( -1.615 -7.381 0.471) 7.571 3.830 ( -0.400 -1.706 -3.004) 3.477 4.009 ( -0.794 -4.515 5.593) 7.231 4.170 ( 6.417 0.049 2.738) 6.976 4.214 ( -1.801 -0.097 3.546) 3.978 4.277 ( -4.070 -3.476 -0.479) 5.374 4.368 ( 1.148 -0.794 0.679) 1.552 4.499 ( -2.575 0.051 -2.251) 3.421 4.952 ( -3.820 -5.167 3.531) 7.332 5.116 ( -0.649 -1.973 4.991) 5.406 5.223 ( 6.580 -6.062 -10.387) 13.709 5.437 ( 5.544 -6.334 -7.391) 11.201 5.863 ( -6.466 2.180 7.781) 10.349 6.094 ( 5.056 1.971 -4.105) 6.804 7.109 ( -9.549 -5.569 8.477) 13.930 7.398 ( 1.768 -3.090 -3.601) 5.063 7.456 ( 8.063 -0.878 5.530) 9.816 7.651 ( -1.190 0.200 -0.804) 1.450 7.758 ( 6.840 -2.515 1.618) 7.465 8.044 ( -14.639 -1.256 -9.412) 17.448 8.646 ( 4.876 -0.560 6.017) 7.765 8.843 ( -0.203 2.184 -3.230) 3.905 9.387 ( -2.203 1.391 1.745) 3.136 9.505 ( -1.227 0.027 -2.074) 2.410 9.591 ( 0.894 3.841 4.133) 5.713 9.776 ( 2.009 4.661 -2.934) 5.863 9.916 ( 1.431 0.337 5.903) 6.083 10.324 ( 3.710 -8.267 -14.274) 16.907 10.606 ( -2.828 4.918 2.297) 6.121 10.719 ( 0.028 -1.719 -2.841) 3.320 10.964 ( -2.436 -4.719 14.601) 15.537 11.324 ( 1.547 -6.667 -3.814) 7.835 13.293 ( 1.945 -0.548 3.327) 3.893 13.493 ( -2.096 0.908 -5.240) 5.717 19.961 ( 1.600 5.841 -0.162) 6.058 19.988 ( -2.494 8.095 -0.629) 8.493 20.331 ( 1.584 10.588 7.944) 13.331 20.716 ( -1.361 5.092 -7.863) 9.466 21.628 ( -1.336 -15.764 6.358) 17.050 21.956 ( 4.609 -14.186 -6.295) 16.190 22.382 ( -3.565 -0.755 0.815) 3.734 22.413 ( 1.643 -1.593 -0.475) 2.338 23.708 ( -0.238 3.480 2.892) 4.531 23.860 ( -0.188 -0.263 -3.544) 3.559 28.012 ( -1.591 -0.318 2.869) 3.296 28.113 ( 1.157 -1.059 -1.473) 2.152 ======================= Grid point 120 (54/95) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 9.669 12.308 6.061) 16.784 1.129 ( 10.146 13.513 14.289) 22.130 1.459 ( 5.484 6.929 -8.637) 12.357 1.568 ( 2.577 7.991 -7.691) 11.386 1.855 ( -2.226 3.082 0.955) 3.920 1.871 ( -1.235 10.193 3.109) 10.728 1.906 ( -0.794 9.346 2.916) 9.822 2.044 ( -3.463 3.187 -3.427) 5.822 2.098 ( 0.771 -5.378 -1.519) 5.641 2.193 ( -2.997 6.418 4.240) 8.256 2.277 ( 4.495 4.197 6.013) 8.601 2.319 ( -0.065 -2.749 -3.871) 4.749 2.338 ( 1.745 3.666 0.564) 4.099 2.472 ( 2.576 5.718 5.969) 8.658 2.669 ( -1.522 -3.469 0.532) 3.826 2.760 ( -0.151 -4.462 -2.808) 5.274 2.861 ( -5.678 -1.484 -3.668) 6.920 2.983 ( -0.341 -2.287 -3.803) 4.450 3.000 ( 0.385 0.571 -1.992) 2.108 3.072 ( -2.546 -1.865 1.192) 3.374 3.139 ( -5.473 2.578 -2.953) 6.732 3.270 ( 0.887 -0.939 -1.744) 2.170 3.308 ( -0.467 5.579 -2.640) 6.189 3.349 ( 0.251 0.692 -1.338) 1.527 3.656 ( 3.193 -1.392 0.488) 3.517 3.750 ( -0.739 -6.283 0.416) 6.340 3.821 ( 0.402 -6.651 -1.418) 6.812 3.850 ( 1.234 -0.073 0.940) 1.553 4.042 ( 1.653 -0.813 4.732) 5.078 4.135 ( -3.388 0.657 0.209) 3.457 4.227 ( -6.347 -3.668 2.244) 7.666 4.298 ( 1.756 -1.872 5.102) 5.711 4.470 ( 5.116 -0.597 -1.553) 5.380 4.512 ( 10.798 -0.047 -5.712) 12.216 4.966 ( 1.778 -3.324 1.829) 4.190 5.306 ( 14.388 -5.421 3.003) 15.666 5.461 ( 9.112 -9.788 -5.956) 14.640 5.649 ( 14.537 0.484 -2.357) 14.734 5.893 ( 10.342 -1.788 4.231) 11.316 6.202 ( 9.549 2.190 -0.771) 9.827 7.076 ( -1.704 -6.487 2.184) 7.054 7.428 ( -0.861 -1.616 -2.494) 3.094 7.589 ( 6.361 1.003 3.820) 7.488 7.678 ( 4.534 0.668 -1.687) 4.884 7.804 ( -7.144 -2.716 -5.911) 9.662 7.980 ( 8.706 -4.571 8.065) 12.718 8.759 ( -7.602 1.994 -2.596) 8.277 8.845 ( 14.292 -1.393 -3.021) 14.674 9.307 ( -5.985 4.396 2.543) 7.849 9.392 ( -2.430 0.140 3.201) 4.021 9.678 ( 5.718 4.284 1.848) 7.380 9.814 ( 4.321 0.201 -2.639) 5.067 9.962 ( 7.350 2.685 4.455) 9.004 10.486 ( 3.243 -5.679 -11.278) 13.037 10.584 ( 8.742 4.784 -0.901) 10.006 10.742 ( -1.558 -7.487 -1.460) 7.786 11.012 ( 2.020 -3.578 12.381) 13.045 11.425 ( 2.615 -6.715 -2.226) 7.542 13.315 ( 0.481 2.096 1.809) 2.811 13.465 ( -0.004 -0.840 -3.902) 3.991 19.844 ( -2.968 8.615 -0.210) 9.115 19.944 ( 1.089 4.506 -0.029) 4.636 20.242 ( -1.003 9.876 8.569) 13.113 20.620 ( -3.042 6.684 -10.242) 12.603 21.631 ( -13.087 -9.446 0.629) 16.153 21.817 ( -27.864 0.267 5.348) 28.374 22.214 ( -18.221 -5.624 3.937) 19.472 22.281 ( -8.990 -11.559 -7.897) 16.637 24.102 ( 36.968 -1.585 2.369) 37.078 24.221 ( 34.578 -0.698 -3.033) 34.717 27.953 ( -4.693 0.118 1.493) 4.926 28.093 ( -4.687 -1.244 -0.113) 4.851 ======================= Grid point 121 (55/95) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 9.048 5.233 -1.115) 10.512 1.209 ( 8.781 11.367 7.606) 16.253 1.360 ( -1.689 11.683 0.024) 11.804 1.622 ( 7.237 6.555 -10.868) 14.610 1.652 ( -7.133 6.508 0.269) 9.660 1.851 ( 0.291 1.100 -2.203) 2.480 1.935 ( 10.019 6.800 7.530) 14.259 2.015 ( -0.127 -3.032 -3.431) 4.581 2.122 ( -1.097 -0.025 -0.326) 1.145 2.243 ( 13.475 6.132 5.769) 15.889 2.279 ( -0.598 4.354 4.534) 6.314 2.338 ( 1.961 -0.007 -2.730) 3.362 2.386 ( 6.224 1.729 3.554) 7.373 2.494 ( 1.297 0.310 5.213) 5.381 2.637 ( -7.712 -2.620 -2.183) 8.433 2.731 ( -2.135 4.832 -0.786) 5.340 2.786 ( -0.211 -3.485 -1.812) 3.933 2.961 ( -5.694 -5.018 1.102) 7.669 2.992 ( -3.350 0.287 -5.036) 6.055 3.038 ( -0.056 1.137 -2.871) 3.088 3.066 ( -0.405 -2.595 -1.894) 3.238 3.213 ( -5.491 -0.831 2.672) 6.163 3.253 ( 0.319 3.292 -6.693) 7.466 3.445 ( 6.676 -0.092 -1.311) 6.804 3.720 ( -6.852 -5.536 1.323) 8.908 3.733 ( 0.562 -3.808 -0.713) 3.915 3.842 ( -1.411 1.201 5.374) 5.684 3.910 ( 4.241 -2.485 2.194) 5.383 4.041 ( -1.381 -0.093 -3.542) 3.803 4.098 ( -0.310 0.716 -1.506) 1.696 4.171 ( -1.248 -0.473 1.530) 2.030 4.301 ( -0.838 1.525 0.763) 1.900 4.605 ( 6.207 -2.411 3.709) 7.622 4.710 ( 7.516 -1.847 -6.063) 9.832 5.111 ( 11.003 -2.627 0.146) 11.314 5.544 ( 4.060 -7.849 -0.508) 8.852 5.769 ( 15.606 -5.547 1.242) 16.608 6.010 ( 25.997 2.650 -3.889) 26.420 6.147 ( 13.150 -4.328 6.098) 15.128 6.387 ( 10.160 1.020 3.299) 10.731 7.161 ( 8.011 -2.628 -3.688) 9.203 7.395 ( -2.455 -2.145 -9.271) 9.828 7.703 ( 5.376 0.195 2.848) 6.086 7.754 ( -1.538 -2.591 2.758) 4.085 7.821 ( 8.379 -1.703 1.208) 8.635 8.143 ( 5.100 -0.016 7.791) 9.312 8.540 ( -11.524 3.747 -2.566) 12.387 9.017 ( -5.613 2.054 -6.416) 8.769 9.176 ( -0.565 -3.924 2.570) 4.724 9.488 ( 12.464 -1.261 -4.150) 13.197 9.692 ( 3.958 5.437 1.656) 6.926 9.927 ( 4.685 -4.309 1.791) 6.613 10.128 ( 11.398 3.862 5.850) 13.381 10.537 ( 2.126 -0.908 -3.140) 3.899 10.740 ( 6.628 0.065 1.006) 6.704 10.858 ( 6.681 -9.122 -10.474) 15.412 11.085 ( 3.279 0.377 9.082) 9.663 11.541 ( 3.469 -5.895 -0.220) 6.844 13.295 ( 0.458 1.847 0.410) 1.946 13.494 ( 2.199 0.085 -1.310) 2.562 19.737 ( -0.995 5.326 0.263) 5.425 19.930 ( 1.517 3.330 -0.127) 3.662 20.121 ( -3.093 8.118 7.752) 11.643 20.462 ( -5.924 7.963 -10.745) 14.627 21.296 ( -20.529 5.812 1.646) 21.399 21.374 ( -14.832 5.321 3.317) 16.103 21.978 ( -16.105 -10.665 9.284) 21.432 22.187 ( -16.508 -14.673 -9.813) 24.169 24.826 ( 37.074 -3.984 1.369) 37.312 24.936 ( 37.381 -3.855 -2.361) 37.654 27.855 ( -6.078 -0.453 -0.874) 6.157 27.967 ( -9.900 -0.653 1.302) 10.007 ======================= Grid point 126 (56/95) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -3.693 0.000 4.754) 6.020 1.573 ( 2.147 -0.000 1.945) 2.897 1.643 ( -5.640 0.000 3.533) 6.655 1.661 ( -8.710 0.000 11.619) 14.522 1.750 ( 2.969 -0.000 -4.904) 5.732 1.920 ( -2.895 0.000 -3.834) 4.804 1.954 ( 0.868 -0.000 -5.436) 5.505 2.109 ( 6.213 -0.000 9.735) 11.549 2.196 ( 0.287 -0.000 -10.076) 10.080 2.246 ( 4.232 -0.000 3.595) 5.553 2.326 ( 2.142 -0.000 -4.170) 4.688 2.376 ( -0.027 0.000 9.142) 9.142 2.438 ( 1.213 -0.000 0.512) 1.316 2.556 ( -4.850 0.000 -5.802) 7.563 2.615 ( -4.339 0.000 -3.797) 5.766 2.718 ( 2.772 -0.000 -1.858) 3.338 2.785 ( 9.520 -0.000 2.098) 9.748 2.841 ( 2.426 -0.000 -2.941) 3.812 3.025 ( -3.603 0.000 -0.899) 3.714 3.165 ( 0.582 -0.000 0.381) 0.695 3.277 ( 6.064 -0.000 2.406) 6.524 3.363 ( -1.213 0.000 0.209) 1.231 3.450 ( -5.208 0.000 0.718) 5.258 3.495 ( 1.095 -0.000 3.686) 3.845 3.573 ( 1.196 -0.000 -0.629) 1.351 3.580 ( 0.176 -0.000 -5.453) 5.456 3.635 ( -1.702 0.000 1.781) 2.464 3.798 ( -4.320 0.000 -7.390) 8.560 3.992 ( -1.964 0.000 3.482) 3.997 4.083 ( 4.285 -0.000 1.825) 4.657 4.282 ( 0.926 -0.000 5.462) 5.540 4.314 ( -9.725 0.000 7.264) 12.138 4.442 ( -9.202 0.000 -7.785) 12.054 4.454 ( 3.058 -0.000 -2.827) 4.165 4.889 ( -3.846 0.000 5.116) 6.400 5.086 ( -1.133 0.000 -8.675) 8.749 5.345 ( -24.899 0.000 6.663) 25.775 5.389 ( -11.103 0.000 -7.858) 13.603 6.050 ( 1.881 -0.000 -6.293) 6.568 6.122 ( -15.525 0.000 8.641) 17.768 7.244 ( 4.854 -0.000 -8.339) 9.648 7.277 ( -14.788 0.000 13.306) 19.893 7.318 ( 4.525 -0.000 -1.980) 4.939 7.722 ( -6.139 0.000 0.938) 6.210 7.724 ( -4.900 0.000 -1.342) 5.080 8.131 ( 3.765 -0.000 3.728) 5.299 8.713 ( -11.944 0.000 -4.856) 12.893 8.884 ( 0.897 -0.000 -1.911) 2.111 9.365 ( 5.790 -0.000 5.582) 8.043 9.431 ( -0.415 0.000 2.866) 2.896 9.803 ( -0.818 0.000 -0.877) 1.199 9.829 ( -10.087 0.000 -3.919) 10.821 10.015 ( 2.414 -0.000 -9.662) 9.959 10.097 ( -5.452 0.000 -0.778) 5.507 10.706 ( 0.105 -0.000 -2.879) 2.881 10.716 ( -6.626 0.000 8.989) 11.167 11.043 ( -6.573 0.000 9.764) 11.770 11.174 ( 0.430 -0.000 -5.381) 5.398 13.251 ( -0.190 0.000 1.248) 1.262 13.549 ( -0.994 0.000 -2.342) 2.544 19.997 ( 2.656 -0.000 0.975) 2.829 20.158 ( 1.519 -0.000 -1.258) 1.973 20.498 ( 3.591 -0.000 2.931) 4.635 20.798 ( 0.562 -0.000 -2.828) 2.883 21.298 ( 3.867 -0.000 8.145) 9.017 21.598 ( 11.779 -0.000 -7.253) 13.833 22.127 ( 22.126 -0.000 0.629) 22.135 22.184 ( 17.903 -0.000 -0.959) 17.929 24.126 ( -31.459 0.000 -2.392) 31.549 24.156 ( -31.155 0.000 1.114) 31.175 27.994 ( 2.664 -0.000 2.671) 3.773 28.031 ( 6.050 -0.000 -1.848) 6.326 ======================= Grid point 128 (57/95) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 3.068 9.667 8.516) 13.243 1.427 ( -3.460 9.710 11.134) 15.173 1.541 ( -1.194 -0.376 -0.228) 1.272 1.633 ( -0.348 -2.549 1.471) 2.963 1.879 ( -0.889 1.004 -2.528) 2.862 1.896 ( 1.136 -1.208 -2.215) 2.767 2.007 ( -3.406 -8.140 -7.108) 11.331 2.137 ( 0.532 4.333 6.682) 7.981 2.200 ( 1.402 0.242 -10.786) 10.879 2.271 ( -0.588 3.967 3.714) 5.465 2.349 ( 0.462 1.797 4.817) 5.162 2.379 ( -0.900 1.111 0.813) 1.645 2.418 ( 1.873 1.145 2.095) 3.034 2.516 ( 0.230 0.139 -0.605) 0.662 2.618 ( 1.574 -5.099 -0.988) 5.427 2.724 ( 0.441 6.037 -2.075) 6.399 2.852 ( -1.523 -0.532 3.001) 3.407 2.903 ( 2.244 -2.602 -0.860) 3.542 3.010 ( 2.254 -0.150 -4.030) 4.620 3.144 ( -3.211 0.997 -5.543) 6.483 3.280 ( 0.744 8.370 1.358) 8.512 3.327 ( -1.593 2.084 1.748) 3.152 3.430 ( 0.248 -0.406 -1.925) 1.983 3.489 ( 0.323 3.914 -3.993) 5.601 3.544 ( 0.636 -2.238 -1.103) 2.574 3.621 ( -1.846 -2.908 5.202) 6.240 3.630 ( -0.012 -2.965 -0.484) 3.005 3.775 ( -0.044 -3.537 -6.107) 7.057 3.959 ( 0.151 -1.140 5.770) 5.884 4.177 ( 4.723 0.575 5.945) 7.615 4.209 ( -2.548 -0.461 3.058) 4.007 4.251 ( -4.140 0.128 -2.421) 4.798 4.356 ( 1.330 -0.394 0.182) 1.399 4.484 ( -1.182 -0.998 -1.972) 2.506 4.855 ( -2.489 -3.689 3.713) 5.795 5.093 ( -1.845 -0.533 2.887) 3.467 5.124 ( 4.248 -3.413 -8.746) 10.304 5.362 ( 7.777 -1.812 -8.650) 11.772 5.899 ( -7.493 1.199 6.783) 10.178 6.123 ( 6.151 0.910 -3.769) 7.271 7.034 ( -10.614 -2.118 9.647) 14.498 7.340 ( 4.322 -1.988 -4.310) 6.419 7.459 ( 8.152 0.373 7.596) 11.149 7.655 ( -0.639 0.147 -0.782) 1.021 7.720 ( 4.969 -1.174 2.095) 5.519 8.022 ( -15.415 -0.749 -10.788) 18.829 8.636 ( 5.350 -0.393 6.618) 8.519 8.876 ( -1.331 1.054 -4.804) 5.095 9.408 ( -1.189 0.749 2.466) 2.838 9.485 ( 2.103 -1.197 -0.069) 2.421 9.681 ( -0.728 4.452 0.497) 4.538 9.822 ( 1.831 -1.155 0.120) 2.168 9.966 ( -0.273 6.502 -2.782) 7.078 10.141 ( 2.559 -10.028 -10.100) 14.461 10.625 ( -4.251 -0.445 5.932) 7.311 10.742 ( 3.036 1.265 -0.920) 3.415 10.934 ( -3.973 0.786 9.770) 10.576 11.219 ( 2.461 -3.736 -3.155) 5.475 13.282 ( 2.989 -0.406 4.181) 5.156 13.508 ( -2.924 0.523 -5.287) 6.065 20.024 ( 1.022 1.539 1.775) 2.562 20.126 ( -2.404 4.544 -2.659) 5.787 20.523 ( 2.830 7.753 5.714) 10.038 20.781 ( -1.419 1.493 -5.243) 5.633 21.375 ( -1.043 -8.869 8.103) 12.059 21.747 ( 1.508 -6.581 -7.112) 9.806 22.375 ( -0.743 -0.131 0.431) 0.869 22.396 ( 0.475 -0.427 -0.409) 0.758 23.775 ( 0.018 3.488 0.427) 3.514 23.832 ( -0.093 -2.463 -1.990) 3.168 28.009 ( -1.190 -0.042 2.349) 2.634 28.098 ( 0.994 -0.457 -1.388) 1.768 ======================= Grid point 129 (58/95) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 6.514 12.912 5.182) 15.362 1.365 ( 7.435 10.832 12.466) 18.111 1.570 ( 0.376 3.452 -5.976) 6.912 1.676 ( 7.296 4.149 -2.155) 8.666 1.776 ( -7.315 -6.235 2.785) 10.007 1.923 ( -1.211 -5.788 -1.427) 6.083 1.976 ( -0.881 -3.052 -5.738) 6.558 2.082 ( -1.436 5.579 2.496) 6.278 2.163 ( -3.675 8.333 0.097) 9.108 2.246 ( 1.873 -1.901 -3.975) 4.788 2.298 ( -2.420 4.022 5.286) 7.069 2.363 ( 0.609 1.156 -0.187) 1.320 2.497 ( 3.284 7.639 0.889) 8.362 2.509 ( 0.363 -4.332 4.333) 6.137 2.575 ( -4.453 -0.179 -1.753) 4.789 2.760 ( 4.615 0.326 -0.972) 4.727 2.797 ( -4.844 -0.131 -0.033) 4.845 2.950 ( -0.761 -1.784 -1.035) 2.198 3.036 ( -1.410 -0.244 0.119) 1.436 3.087 ( 1.986 2.794 -4.035) 5.294 3.194 ( -4.709 5.371 0.624) 7.170 3.283 ( 1.218 2.028 -1.840) 2.996 3.363 ( -4.461 1.603 -0.527) 4.770 3.477 ( 3.370 9.538 -4.086) 10.909 3.599 ( -1.286 -6.772 1.044) 6.972 3.636 ( -1.004 -3.138 0.358) 3.314 3.682 ( 2.981 -6.556 2.183) 7.525 3.835 ( 3.237 -1.964 -4.064) 5.554 4.030 ( 4.446 -0.723 3.754) 5.863 4.145 ( -3.278 0.917 0.044) 3.404 4.180 ( -2.422 -1.102 0.628) 2.734 4.264 ( 1.528 -1.907 8.257) 8.611 4.449 ( 2.623 -0.898 -3.060) 4.129 4.506 ( 8.921 -0.835 -4.257) 9.920 4.878 ( 1.039 -5.205 3.108) 6.150 5.230 ( 8.940 -3.462 -3.441) 10.186 5.301 ( 13.421 -5.559 -1.532) 14.608 5.650 ( 21.183 -0.382 -2.940) 21.389 5.881 ( 6.308 0.196 1.713) 6.539 6.239 ( 8.098 1.601 1.125) 8.331 6.968 ( -0.429 -4.416 2.558) 5.122 7.399 ( 0.028 -1.354 -2.297) 2.666 7.612 ( 9.255 1.135 8.684) 12.742 7.692 ( 4.890 0.878 -1.267) 5.127 7.752 ( -11.696 -2.368 -9.771) 15.423 7.901 ( 10.045 -3.422 7.646) 13.079 8.788 ( -7.606 1.151 -5.089) 9.224 8.823 ( 12.624 -0.983 0.137) 12.663 9.384 ( -7.504 2.613 2.401) 8.301 9.399 ( -0.377 0.896 3.106) 3.255 9.745 ( 7.788 3.916 2.342) 9.027 9.878 ( 4.532 4.855 -7.659) 10.137 9.967 ( 5.267 -1.508 2.614) 6.071 10.327 ( 6.555 -11.017 -12.671) 18.025 10.573 ( -2.437 -1.857 4.808) 5.701 10.758 ( 3.345 5.746 1.936) 6.925 10.950 ( 3.612 -3.520 8.476) 9.863 11.313 ( 3.251 -4.626 -1.718) 5.909 13.347 ( 2.987 1.141 3.884) 5.031 13.449 ( -2.102 -0.623 -5.221) 5.662 19.999 ( -3.742 5.976 -0.493) 7.068 20.014 ( -0.934 3.633 0.511) 3.785 20.454 ( -0.351 11.881 7.055) 13.822 20.722 ( -2.232 3.575 -7.818) 8.882 21.403 ( -8.207 -12.583 5.068) 15.855 21.732 ( -12.259 -7.483 -2.852) 14.643 22.142 ( -18.556 -1.558 -0.791) 18.638 22.178 ( -20.111 -1.463 -0.462) 20.169 24.092 ( 31.986 0.238 0.495) 31.991 24.200 ( 32.958 -1.355 -1.556) 33.022 27.955 ( -4.665 0.077 1.322) 4.849 28.072 ( -4.424 -0.821 -0.381) 4.516 ======================= Grid point 130 (59/95) ======================= q-point: (-0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -1.130 5.706 -3.677) 6.882 1.428 ( 7.504 11.072 7.249) 15.213 1.492 ( -0.807 2.916 2.749) 4.089 1.699 ( 1.223 0.973 -3.069) 3.444 1.840 ( -6.296 6.689 -3.474) 9.821 1.856 ( 2.612 3.689 -1.708) 4.832 1.970 ( 0.284 -1.340 -2.660) 2.992 2.039 ( -0.884 4.689 2.122) 5.222 2.115 ( 5.036 0.878 0.800) 5.174 2.250 ( 2.385 1.181 3.217) 4.175 2.347 ( 5.181 -0.235 -2.749) 5.870 2.363 ( 0.079 -3.348 2.973) 4.479 2.474 ( 1.893 5.773 4.257) 7.418 2.524 ( 1.234 -1.574 -0.083) 2.001 2.594 ( 2.036 -1.010 1.343) 2.640 2.681 ( -7.388 -1.333 0.118) 7.508 2.810 ( 2.487 1.653 -0.228) 2.995 2.902 ( -4.138 -0.204 -1.121) 4.292 3.013 ( -1.430 0.422 -1.396) 2.042 3.041 ( -4.847 4.057 -0.242) 6.326 3.113 ( 1.977 3.508 -1.133) 4.183 3.208 ( -5.602 1.205 -0.259) 5.736 3.367 ( 3.174 3.405 0.454) 4.677 3.458 ( 5.884 4.777 -5.803) 9.545 3.592 ( -5.692 -5.867 1.438) 8.300 3.673 ( -0.580 -3.471 0.070) 3.520 3.794 ( 2.889 -5.522 2.885) 6.867 3.908 ( 3.873 1.316 1.164) 4.253 4.038 ( -2.699 -0.207 -2.187) 3.480 4.095 ( -0.928 -0.716 -2.216) 2.507 4.180 ( 1.162 1.425 1.168) 2.179 4.302 ( 0.381 -0.929 1.934) 2.180 4.549 ( 5.535 -3.370 1.161) 6.584 4.677 ( 6.406 -1.722 -3.687) 7.589 5.026 ( 9.571 -6.221 1.729) 11.545 5.399 ( 6.033 -6.902 -2.703) 9.557 5.696 ( 20.896 -2.144 -0.619) 21.015 6.059 ( 15.146 -0.802 -4.286) 15.761 6.076 ( 21.059 -0.043 6.820) 22.136 6.402 ( 11.127 0.637 5.168) 12.285 7.094 ( 9.868 -3.799 -5.613) 11.972 7.368 ( -2.544 -0.761 -8.700) 9.096 7.670 ( -2.737 -4.854 0.917) 5.647 7.742 ( 5.707 2.803 2.636) 6.883 7.818 ( 9.318 0.679 4.824) 10.515 8.101 ( 6.962 -3.695 7.716) 11.030 8.583 ( -12.148 1.296 -5.007) 13.203 9.024 ( 1.921 -0.580 -8.847) 9.072 9.171 ( -7.675 1.743 8.559) 11.627 9.487 ( 10.720 0.802 1.064) 10.803 9.816 ( 4.511 5.290 3.754) 7.901 9.896 ( 3.582 3.452 -6.420) 8.121 10.164 ( 12.052 -1.159 1.139) 12.161 10.492 ( 3.060 -3.325 -5.630) 7.219 10.602 ( -1.008 -10.838 1.816) 11.035 10.838 ( 11.988 4.206 -2.031) 12.866 11.077 ( 5.769 -1.350 6.976) 9.153 11.424 ( 4.199 -5.853 -0.162) 7.205 13.334 ( -0.731 2.203 -1.714) 2.885 13.481 ( 2.958 -1.292 0.660) 3.295 19.855 ( -3.732 6.661 -0.740) 7.671 19.981 ( -0.543 1.999 1.574) 2.601 20.308 ( -3.565 11.410 7.343) 14.030 20.607 ( -5.062 7.008 -9.995) 13.215 21.283 ( -15.727 -6.676 -2.181) 17.224 21.471 ( -13.424 2.954 7.013) 15.431 21.823 ( -17.979 -4.853 3.001) 18.863 21.932 ( -14.578 -10.866 -5.754) 19.071 24.755 ( 36.553 -3.172 0.421) 36.693 24.878 ( 37.018 -2.380 -1.071) 37.110 27.849 ( -6.895 -0.247 -0.318) 6.907 27.955 ( -9.065 -0.595 0.885) 9.127 ======================= Grid point 131 (60/95) ======================= q-point: (-0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -1.768 1.602 -2.352) 3.350 1.394 ( 2.551 5.131 -1.122) 5.839 1.545 ( -0.838 8.477 -2.365) 8.840 1.612 ( 1.283 2.661 4.354) 5.262 1.725 ( 4.044 3.356 0.984) 5.347 1.894 ( 1.631 4.980 -5.370) 7.503 1.989 ( 2.260 -0.256 -4.333) 4.894 2.033 ( 0.463 -1.366 3.204) 3.513 2.181 ( 4.399 1.517 4.966) 6.805 2.249 ( -2.271 0.358 1.269) 2.626 2.357 ( -2.359 -3.356 -0.465) 4.129 2.399 ( -6.395 -1.919 0.138) 6.678 2.458 ( -0.719 2.803 1.297) 3.171 2.549 ( 6.054 2.839 -1.344) 6.821 2.601 ( 0.828 2.929 1.894) 3.585 2.691 ( -1.209 -6.486 1.436) 6.753 2.850 ( 4.066 2.567 1.497) 5.036 2.858 ( 0.436 1.239 5.696) 5.845 2.893 ( -4.116 0.530 -1.837) 4.538 3.038 ( 0.743 -3.191 -2.334) 4.023 3.080 ( -1.332 4.522 -1.771) 5.036 3.152 ( 0.648 0.494 -0.204) 0.840 3.365 ( 3.524 7.519 -2.767) 8.753 3.510 ( -4.270 0.533 1.699) 4.626 3.598 ( 4.204 -6.103 -3.939) 8.393 3.631 ( -5.317 -2.474 0.912) 5.935 3.891 ( 3.917 0.259 1.483) 4.196 3.962 ( 3.185 -2.508 2.080) 4.556 4.031 ( 1.038 0.584 -3.005) 3.233 4.088 ( 0.161 1.131 -2.607) 2.846 4.179 ( 0.085 0.137 -0.506) 0.532 4.306 ( -0.273 0.644 0.216) 0.732 4.642 ( 1.378 -3.019 3.988) 5.189 4.774 ( 2.937 -2.131 -3.478) 5.026 5.288 ( 11.294 -4.501 0.500) 12.168 5.564 ( 5.005 -4.912 -1.520) 7.175 5.944 ( 6.082 -0.763 -0.903) 6.195 6.270 ( 3.073 -5.312 5.873) 8.495 6.518 ( 26.163 2.700 -1.580) 26.350 6.692 ( 24.249 2.092 2.650) 24.483 7.330 ( 8.449 -2.906 -3.998) 9.789 7.367 ( 2.970 -0.808 -7.480) 8.088 7.653 ( -4.349 -2.635 5.278) 7.329 7.805 ( 3.633 0.699 0.683) 3.762 7.951 ( 4.829 0.537 4.999) 6.971 8.146 ( -5.640 -0.332 1.197) 5.775 8.453 ( 1.842 -0.648 -5.954) 6.266 8.762 ( -20.808 1.021 5.243) 21.483 9.198 ( 3.703 0.349 -3.192) 4.901 9.722 ( 11.395 2.240 -5.874) 13.014 9.870 ( 6.948 0.395 6.824) 9.746 9.914 ( 0.854 0.844 -6.562) 6.671 10.335 ( 6.381 4.252 9.164) 11.949 10.546 ( 0.602 -4.837 2.365) 5.417 10.726 ( 3.771 -8.748 -7.009) 11.826 11.038 ( 9.406 1.795 -4.884) 10.749 11.169 ( 5.464 0.046 5.429) 7.703 11.568 ( 4.955 -4.411 0.530) 6.655 13.322 ( 1.129 0.656 0.357) 1.353 13.536 ( 1.996 0.012 -0.465) 2.050 19.764 ( -0.602 3.325 -0.166) 3.383 19.962 ( -0.368 0.943 0.718) 1.242 20.132 ( -5.074 8.653 6.154) 11.768 20.419 ( -6.072 7.265 -7.247) 11.923 21.037 ( -11.317 1.340 -5.602) 12.699 21.287 ( -3.438 5.389 7.677) 9.990 21.620 ( -12.585 -8.987 4.932) 16.232 21.774 ( -13.627 -9.769 -6.126) 17.851 25.393 ( 28.757 -3.655 0.303) 28.990 25.494 ( 27.024 -1.901 -0.542) 27.096 27.724 ( -7.178 -1.069 -1.922) 7.507 27.771 ( -10.794 0.201 1.988) 10.977 ======================= Grid point 137 (61/95) ======================= q-point: ( 0.56 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 5.852 -0.000 10.106) 11.678 1.519 ( 12.143 -0.000 6.692) 13.865 1.568 ( -0.222 0.000 2.048) 2.060 1.588 ( -5.369 0.000 -0.037) 5.369 1.806 ( -9.505 0.000 -1.537) 9.628 1.864 ( 5.457 -0.000 -6.895) 8.793 1.896 ( 1.751 -0.000 -2.482) 3.038 2.159 ( -0.700 0.000 7.624) 7.656 2.189 ( -0.484 0.000 -8.762) 8.775 2.262 ( -1.542 0.000 3.853) 4.150 2.332 ( -1.884 0.000 6.909) 7.161 2.374 ( -3.276 0.000 -2.251) 3.975 2.458 ( 1.049 -0.000 -1.266) 1.644 2.574 ( 1.522 -0.000 -6.414) 6.592 2.618 ( -7.319 0.000 1.829) 7.544 2.680 ( 3.194 -0.000 -1.112) 3.382 2.859 ( 0.152 -0.000 -7.362) 7.363 2.916 ( -1.204 0.000 3.020) 3.251 3.049 ( 3.098 -0.000 5.433) 6.254 3.091 ( -0.995 0.000 -5.856) 5.940 3.287 ( -3.664 0.000 -1.407) 3.925 3.360 ( -2.506 0.000 7.583) 7.987 3.391 ( -5.417 0.000 -2.166) 5.834 3.419 ( 2.697 -0.000 -1.767) 3.224 3.590 ( -0.127 0.000 4.446) 4.448 3.625 ( 1.003 -0.000 -0.742) 1.248 3.638 ( 3.760 -0.000 -0.716) 3.827 3.790 ( 4.911 -0.000 -9.749) 10.916 4.018 ( 3.951 -0.000 4.356) 5.881 4.160 ( -4.471 0.000 -3.068) 5.423 4.189 ( 2.730 -0.000 1.852) 3.299 4.227 ( -0.516 0.000 10.576) 10.588 4.448 ( -1.087 0.000 -3.320) 3.494 4.490 ( 11.041 -0.000 -3.249) 11.509 4.819 ( 0.747 -0.000 3.131) 3.219 5.185 ( 4.503 -0.000 -6.830) 8.181 5.258 ( 18.449 -0.000 0.932) 18.472 5.644 ( 22.679 -0.000 -2.831) 22.855 5.885 ( 5.144 -0.000 0.499) 5.168 6.255 ( 7.489 -0.000 2.366) 7.854 6.924 ( -0.152 0.000 2.373) 2.378 7.384 ( 0.960 -0.000 -1.540) 1.815 7.625 ( 10.148 -0.000 9.737) 14.064 7.702 ( 2.944 -0.000 -2.944) 4.163 7.729 ( -10.922 0.000 -8.943) 14.116 7.865 ( 9.953 -0.000 7.212) 12.291 8.800 ( -7.739 0.000 -6.429) 10.061 8.812 ( 12.090 -0.000 1.023) 12.133 9.397 ( -9.088 0.000 3.485) 9.734 9.420 ( 2.350 -0.000 3.920) 4.570 9.834 ( 11.035 -0.000 -1.957) 11.207 9.854 ( 3.292 -0.000 -0.440) 3.321 10.011 ( 1.732 -0.000 -5.365) 5.638 10.170 ( 7.171 -0.000 -10.766) 12.935 10.562 ( -2.850 0.000 7.767) 8.274 10.846 ( 7.395 -0.000 2.327) 7.752 10.887 ( -0.720 0.000 5.218) 5.268 11.267 ( 4.045 -0.000 -0.814) 4.126 13.357 ( 4.868 -0.000 5.693) 7.490 13.443 ( -3.858 0.000 -6.785) 7.805 20.032 ( -0.898 0.000 2.973) 3.106 20.078 ( -4.912 0.000 -3.024) 5.768 20.611 ( 1.517 -0.000 5.935) 6.126 20.737 ( -3.544 0.000 -6.040) 7.003 21.261 ( -6.871 0.000 6.513) 9.467 21.642 ( -8.506 0.000 -5.660) 10.217 22.134 ( -20.040 0.000 1.043) 20.067 22.168 ( -20.584 0.000 -1.356) 20.629 24.098 ( 29.364 -0.000 -1.274) 29.392 24.183 ( 33.348 -0.000 -0.010) 33.348 27.956 ( -4.672 0.000 1.211) 4.826 28.064 ( -4.316 0.000 -0.386) 4.334 ======================= Grid point 139 (62/95) ======================= q-point: (-0.33 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -8.519 4.097 -2.718) 9.836 1.515 ( -6.154 0.182 2.519) 6.652 1.590 ( 5.198 5.366 3.134) 8.101 1.668 ( 2.371 -3.150 1.508) 4.221 1.846 ( 9.024 -0.145 2.035) 9.251 1.925 ( 2.748 2.209 -2.368) 4.247 2.011 ( -1.174 0.437 -1.138) 1.693 2.122 ( 1.529 3.515 2.585) 4.624 2.194 ( -1.357 6.642 1.619) 6.970 2.231 ( 0.679 -3.647 3.067) 4.813 2.297 ( -0.773 -1.665 -2.732) 3.291 2.326 ( -0.019 -1.657 3.112) 3.525 2.438 ( -6.137 -4.514 -2.267) 7.948 2.501 ( 3.820 0.931 -2.848) 4.854 2.647 ( 3.294 4.197 1.142) 5.456 2.685 ( -3.461 -1.905 -2.397) 4.621 2.825 ( -1.619 1.786 -5.735) 6.221 2.880 ( -2.241 -3.278 -4.921) 6.323 3.062 ( 0.051 4.598 4.187) 6.219 3.119 ( -0.875 -0.159 4.163) 4.257 3.183 ( -1.714 5.104 -1.464) 5.579 3.247 ( -6.630 1.522 0.786) 6.848 3.346 ( 0.165 -2.527 3.161) 4.050 3.507 ( 2.064 -0.929 1.235) 2.578 3.595 ( 0.589 2.035 0.760) 2.251 3.660 ( 2.862 3.563 -1.783) 4.905 3.679 ( 2.765 -5.073 3.101) 6.557 3.914 ( 6.036 -0.857 -5.839) 8.442 4.030 ( -1.834 -0.593 0.212) 1.939 4.086 ( -1.668 -0.042 -3.789) 4.140 4.219 ( 1.461 2.243 3.642) 4.520 4.279 ( 0.858 -1.326 1.313) 2.054 4.495 ( 5.662 -1.814 -0.772) 5.996 4.648 ( 4.955 -1.134 -1.803) 5.393 4.914 ( 8.618 -4.092 2.800) 9.943 5.308 ( 8.292 -2.506 -3.996) 9.539 5.677 ( 23.997 -0.268 -1.818) 24.067 6.013 ( 7.577 -1.504 3.384) 8.434 6.111 ( 26.506 1.231 -1.482) 26.576 6.411 ( 11.108 0.279 7.871) 13.616 7.040 ( 11.728 -1.616 -7.533) 14.032 7.360 ( -2.368 -0.171 -7.556) 7.920 7.598 ( -2.753 -2.177 -0.395) 3.532 7.790 ( 4.695 1.711 1.480) 5.212 7.830 ( 10.661 0.404 8.522) 13.654 8.038 ( 7.059 -2.212 6.786) 10.038 8.599 ( -12.875 0.443 -7.252) 14.784 9.011 ( 4.397 -0.535 -7.210) 8.462 9.199 ( -8.586 0.852 8.722) 12.268 9.503 ( 7.257 0.584 7.341) 10.340 9.889 ( 3.420 4.132 -0.347) 5.376 10.022 ( 6.728 3.920 -10.803) 13.317 10.101 ( 11.243 -1.707 -2.292) 11.601 10.341 ( 6.227 -8.878 -11.851) 16.063 10.529 ( -1.476 0.106 13.450) 13.531 10.918 ( 8.360 3.739 -0.156) 9.159 11.033 ( 8.709 -2.916 4.784) 10.355 11.345 ( 3.884 -2.186 0.383) 4.473 13.371 ( -2.158 1.418 -4.946) 5.580 13.455 ( 4.209 -1.134 3.862) 5.824 19.959 ( -5.437 3.594 -1.723) 6.742 20.003 ( -2.141 0.294 2.736) 3.487 20.531 ( -3.842 11.222 5.374) 13.022 20.682 ( -3.936 -0.920 -6.256) 7.448 21.131 ( -11.159 -6.034 1.883) 12.825 21.452 ( -12.989 -3.171 -0.569) 13.382 21.785 ( -18.803 0.090 -2.190) 18.931 21.818 ( -14.670 -2.245 0.807) 14.863 24.714 ( 35.653 -1.088 -0.656) 35.676 24.847 ( 36.903 -0.904 -0.090) 36.914 27.846 ( -7.329 -0.080 -0.227) 7.333 27.947 ( -8.545 -0.247 0.829) 8.589 ======================= Grid point 140 (63/95) ======================= q-point: (-0.22 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -1.581 2.640 -1.702) 3.517 1.429 ( -2.140 -1.325 0.780) 2.635 1.610 ( -0.329 1.989 -0.786) 2.164 1.723 ( -4.389 4.174 -1.539) 6.250 1.796 ( 2.900 5.651 3.641) 7.321 1.959 ( -0.911 1.672 1.943) 2.721 2.014 ( 6.434 1.620 -4.579) 8.062 2.078 ( -1.147 4.315 -2.933) 5.342 2.169 ( -0.638 -2.091 13.241) 13.420 2.233 ( -1.832 -1.244 -1.119) 2.481 2.307 ( -0.036 -0.729 -1.601) 1.760 2.382 ( -2.404 -1.976 -1.012) 3.272 2.432 ( 0.373 -6.376 1.774) 6.629 2.520 ( -1.091 2.825 -0.573) 3.082 2.646 ( -2.768 -2.090 -4.165) 5.420 2.660 ( 1.966 2.735 -0.953) 3.501 2.802 ( 0.138 -2.357 -0.899) 2.526 2.923 ( 4.233 0.435 -4.147) 5.942 2.968 ( -3.503 2.602 -1.479) 4.607 3.040 ( -1.013 6.662 3.696) 7.686 3.122 ( -4.483 -0.266 1.167) 4.640 3.191 ( 1.269 2.152 3.258) 4.106 3.416 ( 0.841 -7.436 1.813) 7.700 3.491 ( -2.029 2.899 0.949) 3.663 3.571 ( -0.773 3.789 -0.365) 3.884 3.663 ( 3.924 5.451 -1.745) 6.940 3.836 ( 6.599 -5.493 4.016) 9.479 3.939 ( -1.222 -0.347 -0.343) 1.316 4.032 ( 1.319 -0.886 -1.369) 2.097 4.126 ( 4.665 2.668 -5.033) 7.363 4.195 ( -1.724 1.671 -1.640) 2.908 4.293 ( -0.205 -1.850 -0.108) 1.865 4.588 ( 1.828 -2.436 1.969) 3.627 4.725 ( 3.104 -2.737 -1.234) 4.319 5.185 ( 13.750 -5.416 1.256) 14.832 5.491 ( 8.059 -2.558 -2.871) 8.930 5.962 ( 7.335 2.409 -0.616) 7.745 6.157 ( 4.384 -6.015 3.843) 8.377 6.573 ( 25.477 2.581 0.194) 25.608 6.723 ( 23.997 1.152 4.895) 24.518 7.294 ( 11.108 -0.824 -7.205) 13.265 7.357 ( 3.108 -0.453 -7.498) 8.130 7.589 ( -2.650 -3.431 5.211) 6.779 7.835 ( 2.857 2.044 1.605) 3.862 7.963 ( 3.391 0.414 7.258) 8.021 8.125 ( -2.753 -1.535 0.104) 3.153 8.423 ( -1.511 -1.550 -8.055) 8.340 8.769 ( -21.975 -0.117 4.115) 22.357 9.242 ( 6.012 3.445 -1.473) 7.084 9.678 ( 7.678 -5.066 8.037) 12.215 9.895 ( 2.810 4.491 -1.153) 5.422 10.068 ( 6.979 10.017 -11.258) 16.607 10.337 ( 9.718 -4.612 -2.990) 11.165 10.495 ( -2.874 0.832 17.461) 17.715 10.541 ( 6.197 -10.134 -11.765) 16.719 11.086 ( 9.833 2.733 -2.112) 10.422 11.160 ( 4.719 -0.878 4.155) 6.349 11.484 ( 7.709 -3.939 1.061) 8.721 13.337 ( -0.223 0.771 -2.191) 2.333 13.529 ( 2.646 -0.554 1.684) 3.185 19.836 ( -3.643 3.723 -0.838) 5.276 19.964 ( -2.082 -0.442 1.852) 2.821 20.321 ( -7.252 11.052 5.954) 14.498 20.554 ( -7.356 5.428 -7.213) 11.645 20.982 ( -10.438 -5.959 -1.601) 12.125 21.292 ( -8.330 -4.930 4.401) 10.633 21.514 ( -11.446 -1.989 -2.700) 11.927 21.663 ( -5.258 -1.589 0.134) 5.495 25.334 ( 29.405 -2.354 -0.542) 29.505 25.465 ( 28.707 -1.134 0.236) 28.731 27.708 ( -7.618 -0.599 -1.716) 7.831 27.774 ( -10.119 0.094 1.982) 10.312 ======================= Grid point 141 (64/95) ======================= q-point: (-0.11 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.813 3.562 0.321) 3.668 1.450 ( 1.755 -0.118 -2.842) 3.342 1.524 ( -3.806 4.392 -0.209) 5.815 1.597 ( -2.697 -0.639 1.153) 3.002 1.892 ( 1.509 -2.025 1.145) 2.773 1.920 ( 1.435 1.811 2.385) 3.320 2.006 ( -2.585 3.136 -4.600) 6.138 2.047 ( -2.128 -0.749 1.304) 2.605 2.191 ( 0.501 -2.574 9.652) 10.002 2.211 ( -1.767 1.012 -4.639) 5.066 2.313 ( 0.980 1.836 -0.067) 2.082 2.330 ( -1.709 2.627 -2.870) 4.250 2.493 ( 1.967 -7.694 0.729) 7.975 2.511 ( 1.221 0.931 3.165) 3.518 2.578 ( -4.918 -0.374 -3.064) 5.806 2.656 ( -0.036 0.818 -1.219) 1.468 2.835 ( -0.724 -3.113 0.104) 3.198 2.903 ( 1.621 3.356 -2.752) 4.633 2.988 ( 2.821 4.209 5.413) 7.414 3.043 ( -3.626 -1.417 3.490) 5.229 3.062 ( 4.473 -0.973 -4.461) 6.392 3.192 ( -0.397 0.005 0.584) 0.706 3.393 ( -6.194 -0.595 2.711) 6.788 3.439 ( -4.483 0.406 -2.443) 5.122 3.550 ( 4.806 3.938 0.483) 6.232 3.696 ( 2.535 2.183 -1.709) 3.757 3.932 ( 1.108 -0.663 0.333) 1.334 3.989 ( 2.204 -2.410 2.148) 3.909 4.067 ( 3.098 -0.420 -2.134) 3.785 4.106 ( -2.468 0.182 -1.713) 3.010 4.198 ( 2.533 2.682 -1.843) 4.124 4.279 ( -2.965 -1.135 -1.319) 3.438 4.630 ( 0.432 -2.577 3.118) 4.068 4.820 ( 4.666 -0.817 -1.879) 5.096 5.432 ( 8.052 -2.211 1.013) 8.411 5.611 ( 2.879 -1.280 -2.621) 4.099 6.010 ( 1.984 1.206 -0.817) 2.462 6.246 ( 0.542 -3.674 5.365) 6.525 6.946 ( 15.939 2.000 -0.148) 16.065 7.108 ( 11.105 0.380 -0.368) 11.118 7.382 ( 0.419 0.194 -2.513) 2.555 7.409 ( 0.500 0.439 -5.877) 5.914 7.587 ( 4.114 -0.892 7.128) 8.278 7.863 ( 0.842 1.068 1.185) 1.804 7.969 ( -1.324 -2.051 3.759) 4.482 8.085 ( 1.715 -0.272 -5.899) 6.149 8.330 ( -23.886 -0.474 9.718) 25.791 8.551 ( 7.757 -2.227 -7.559) 11.058 9.282 ( 3.022 3.116 -3.631) 5.659 9.748 ( -6.119 -6.601 4.748) 10.177 9.958 ( 7.490 9.357 -1.866) 12.130 10.115 ( 8.393 4.079 -9.651) 13.425 10.413 ( -3.896 2.917 18.302) 18.938 10.505 ( 2.343 -4.153 -0.944) 4.861 10.717 ( 3.253 -8.787 -10.112) 13.786 11.102 ( -2.051 1.020 1.060) 2.524 11.325 ( 9.090 0.730 1.409) 9.227 11.625 ( 3.440 -1.279 -0.400) 3.692 13.345 ( 1.170 -0.423 1.527) 1.969 13.556 ( -0.021 0.095 -1.171) 1.175 19.778 ( 0.040 0.882 -0.275) 0.925 19.938 ( -2.115 -0.799 -0.178) 2.268 20.101 ( -6.551 6.744 5.369) 10.827 20.371 ( -5.232 4.387 -4.149) 7.989 20.886 ( -5.479 -4.032 -3.676) 7.733 21.238 ( -3.159 -4.805 6.284) 8.518 21.398 ( -4.341 -2.995 -2.635) 5.896 21.643 ( 3.991 3.821 -0.710) 5.571 25.759 ( 13.366 -2.172 -0.419) 13.548 25.846 ( 11.355 0.339 0.400) 11.367 27.597 ( -5.243 0.313 -0.973) 5.341 27.629 ( -3.481 -0.651 0.953) 3.667 ======================= Grid point 148 (65/95) ======================= q-point: ( 0.67 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -1.374 0.000 -0.564) 1.486 1.404 ( -3.828 0.000 1.174) 4.004 1.640 ( -0.559 0.000 -0.954) 1.106 1.727 ( 0.630 -0.000 -0.010) 0.630 1.907 ( -6.638 0.000 0.814) 6.688 1.962 ( 1.414 -0.000 4.856) 5.058 2.030 ( 6.085 -0.000 -5.296) 8.067 2.120 ( -8.121 0.000 -0.099) 8.122 2.125 ( 2.380 -0.000 11.765) 12.003 2.244 ( -0.448 0.000 1.888) 1.940 2.288 ( -1.309 0.000 -4.162) 4.363 2.358 ( 1.419 -0.000 -0.313) 1.453 2.385 ( 4.601 -0.000 1.932) 4.990 2.572 ( -7.062 0.000 -4.050) 8.141 2.580 ( 1.386 -0.000 -5.224) 5.405 2.696 ( -0.447 0.000 -0.306) 0.542 2.789 ( -2.447 0.000 -3.105) 3.953 2.895 ( 6.929 -0.000 -7.481) 10.197 3.024 ( -5.561 0.000 0.741) 5.610 3.103 ( -2.868 0.000 1.372) 3.180 3.155 ( -0.885 0.000 -0.668) 1.108 3.192 ( -2.629 0.000 5.622) 6.207 3.305 ( -0.606 0.000 6.036) 6.066 3.520 ( -2.189 0.000 0.185) 2.197 3.666 ( 1.591 -0.000 0.026) 1.591 3.727 ( 6.949 -0.000 6.509) 9.522 3.743 ( 5.793 -0.000 -1.254) 5.927 3.934 ( -1.948 0.000 -1.014) 2.196 4.016 ( 0.584 -0.000 -1.761) 1.855 4.156 ( 7.452 -0.000 -6.192) 9.689 4.239 ( -3.545 0.000 -1.915) 4.029 4.249 ( 0.084 -0.000 0.214) 0.230 4.563 ( 1.997 -0.000 1.119) 2.289 4.693 ( 3.133 -0.000 -0.053) 3.133 5.127 ( 15.277 -0.000 1.520) 15.353 5.468 ( 9.171 -0.000 -3.468) 9.804 6.007 ( 10.955 -0.000 -1.362) 11.039 6.077 ( 1.222 -0.000 4.336) 4.505 6.599 ( 25.544 -0.000 0.302) 25.546 6.734 ( 23.936 -0.000 6.218) 24.731 7.290 ( 13.688 -0.000 -9.331) 16.566 7.351 ( 2.346 -0.000 -7.077) 7.456 7.552 ( -2.537 0.000 5.696) 6.235 7.860 ( 2.874 -0.000 1.943) 3.469 7.964 ( 1.531 -0.000 8.372) 8.511 8.107 ( -0.086 0.000 -0.518) 0.525 8.408 ( -3.402 0.000 -9.160) 9.771 8.766 ( -22.423 0.000 3.782) 22.740 9.286 ( 8.466 -0.000 -2.408) 8.801 9.617 ( 2.980 -0.000 13.489) 13.815 9.965 ( 4.470 -0.000 -3.139) 5.462 10.162 ( 7.390 -0.000 -12.326) 14.372 10.332 ( 12.773 -0.000 -5.841) 14.045 10.375 ( 3.554 -0.000 -10.445) 11.033 10.514 ( -1.879 0.000 18.389) 18.484 11.124 ( 12.305 -0.000 -1.712) 12.424 11.141 ( 2.143 -0.000 3.871) 4.424 11.443 ( 8.598 -0.000 1.227) 8.685 13.345 ( -0.797 0.000 -3.573) 3.660 13.522 ( 2.950 -0.000 2.917) 4.148 19.878 ( -4.903 0.000 -1.528) 5.136 19.956 ( -3.012 0.000 2.536) 3.938 20.493 ( -9.654 0.000 9.659) 13.656 20.557 ( -6.164 0.000 -8.117) 10.193 20.918 ( -9.439 0.000 -4.045) 10.270 21.211 ( -10.439 0.000 4.594) 11.405 21.506 ( -10.936 0.000 -6.454) 12.698 21.660 ( -2.105 0.000 3.277) 3.895 25.311 ( 29.601 -0.000 -0.907) 29.615 25.454 ( 29.289 -0.000 0.553) 29.294 27.702 ( -7.804 0.000 -1.686) 7.984 27.775 ( -9.847 0.000 2.016) 10.051 ======================= Grid point 150 (66/95) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 1.463 3.708 0.887) 4.084 1.398 ( 0.812 -3.631 0.183) 3.725 1.570 ( -5.869 1.351 -0.199) 6.026 1.676 ( -4.502 4.082 -0.652) 6.112 1.847 ( 0.787 -0.805 4.214) 4.362 1.919 ( -5.802 -2.107 6.050) 8.643 1.976 ( -7.099 -1.707 3.160) 7.956 2.064 ( -1.403 1.453 -7.133) 7.413 2.200 ( 0.745 0.801 2.108) 2.375 2.226 ( -0.098 1.559 -1.902) 2.461 2.325 ( 2.503 -4.704 1.551) 5.550 2.382 ( 3.122 2.420 0.763) 4.023 2.431 ( -0.890 3.253 -3.274) 4.700 2.505 ( 3.900 -1.092 1.915) 4.480 2.556 ( -2.570 -1.038 -3.454) 4.429 2.675 ( -1.065 0.278 -3.742) 3.900 2.763 ( -0.939 -2.702 -3.798) 4.755 2.944 ( -1.853 1.572 -2.308) 3.351 3.013 ( -4.277 -0.827 3.815) 5.790 3.039 ( 4.369 -1.019 -5.057) 6.760 3.106 ( -0.955 4.772 5.114) 7.060 3.161 ( -2.887 -1.952 3.271) 4.780 3.320 ( -2.566 -3.803 1.305) 4.770 3.480 ( -0.221 1.975 0.940) 2.199 3.661 ( 1.985 5.220 -0.447) 5.603 3.758 ( 0.734 2.540 0.585) 2.708 3.907 ( 2.983 -1.685 1.110) 3.601 3.924 ( 2.778 -2.692 1.860) 4.292 4.055 ( 3.082 -0.761 -2.606) 4.108 4.146 ( -3.723 3.631 -1.994) 5.569 4.226 ( -2.159 -2.361 -1.745) 3.644 4.249 ( 0.814 0.312 -1.729) 1.936 4.589 ( 0.693 -1.403 1.778) 2.368 4.801 ( 7.250 -0.814 -1.007) 7.364 5.391 ( 11.396 -1.497 1.309) 11.568 5.597 ( 4.522 -0.315 -3.639) 5.813 6.058 ( 1.141 3.379 1.969) 4.074 6.163 ( 3.450 -4.467 2.807) 6.303 6.985 ( 15.055 1.544 0.583) 15.145 7.106 ( 8.485 -0.353 -0.153) 8.494 7.397 ( -0.405 0.985 -2.837) 3.031 7.416 ( 2.736 0.153 -6.383) 6.946 7.566 ( 8.717 -0.944 8.564) 12.256 7.887 ( -4.129 1.069 1.210) 4.433 7.934 ( 1.804 -1.331 2.240) 3.169 8.080 ( 0.834 -0.196 -5.451) 5.518 8.322 ( -25.499 -0.307 8.430) 26.858 8.509 ( 9.661 -1.537 -7.394) 12.262 9.369 ( 2.869 4.874 -3.988) 6.920 9.619 ( -5.187 -5.959 8.330) 11.480 10.087 ( 10.768 4.050 1.712) 11.631 10.241 ( 3.578 6.673 -13.402) 15.393 10.418 ( 1.829 -1.928 -1.302) 2.959 10.461 ( -3.202 -0.285 13.537) 13.913 10.562 ( 5.902 -6.463 -7.486) 11.517 11.117 ( -3.340 0.524 2.760) 4.365 11.334 ( 9.933 0.241 0.663) 9.958 11.599 ( 6.094 -0.961 -0.445) 6.185 13.342 ( 0.419 -0.011 0.040) 0.421 13.553 ( 0.132 -0.210 0.129) 0.279 19.802 ( -2.310 1.133 -0.651) 2.654 19.909 ( -2.690 -1.402 0.437) 3.065 20.250 ( -10.742 7.388 7.892) 15.240 20.429 ( -8.420 0.123 -6.474) 10.621 20.785 ( -6.781 -3.948 -4.498) 9.044 21.121 ( -2.744 -4.911 9.007) 10.620 21.395 ( -0.684 0.841 -7.017) 7.100 21.710 ( 7.911 2.225 1.304) 8.321 25.729 ( 14.446 -0.875 -1.140) 14.517 25.850 ( 12.802 0.106 1.092) 12.849 27.598 ( -2.760 -0.086 -2.562) 3.767 27.623 ( -5.591 -0.044 2.590) 6.161 ======================= Grid point 151 (67/95) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -1.617 5.675 1.067) 5.997 1.432 ( -3.770 -1.321 -3.568) 5.356 1.441 ( -7.580 -4.496 1.432) 8.929 1.559 ( -1.825 2.952 2.474) 4.262 1.750 ( -9.509 -0.205 -3.142) 10.017 1.922 ( -2.429 -6.587 9.009) 11.422 1.961 ( 3.605 -2.542 2.418) 5.031 2.000 ( -5.424 -3.165 -5.034) 8.048 2.168 ( 0.130 0.986 -0.490) 1.108 2.266 ( 3.163 4.236 -2.051) 5.671 2.306 ( -0.935 3.498 -0.549) 3.662 2.375 ( -0.335 3.860 -0.513) 3.908 2.435 ( -0.507 -6.794 3.129) 7.497 2.526 ( -1.316 0.781 -1.898) 2.438 2.656 ( 7.622 1.708 3.522) 8.569 2.684 ( 4.901 1.873 -5.240) 7.416 2.789 ( -0.676 -3.811 -0.758) 3.944 2.914 ( -3.299 -2.303 1.977) 4.482 2.946 ( -2.661 -2.880 -1.703) 4.275 3.021 ( -4.302 2.089 4.664) 6.680 3.069 ( -5.008 -4.334 2.111) 6.951 3.178 ( 2.445 -0.010 -2.965) 3.843 3.269 ( -1.611 1.957 -5.114) 5.708 3.470 ( 2.711 4.996 2.162) 6.082 3.646 ( -0.152 4.621 0.977) 4.726 3.745 ( 1.522 1.221 -0.386) 1.989 3.937 ( 1.240 -1.611 -0.951) 2.245 3.998 ( 0.404 0.339 -1.686) 1.767 4.046 ( -2.892 -0.114 -1.376) 3.205 4.117 ( 0.460 -0.840 -0.128) 0.966 4.199 ( -1.809 -1.754 -0.017) 2.520 4.233 ( -1.347 0.307 -0.093) 1.385 4.618 ( 0.468 -1.788 2.086) 2.787 4.908 ( 3.781 1.191 -1.537) 4.251 5.531 ( 3.078 0.878 3.098) 4.454 5.621 ( -1.738 0.478 -3.589) 4.017 6.053 ( 0.967 2.200 -1.449) 2.806 6.245 ( 1.131 -1.490 5.544) 5.851 6.950 ( -16.471 -0.782 -4.257) 17.031 6.991 ( -15.403 -0.829 2.132) 15.571 7.391 ( -0.231 1.023 -1.872) 2.146 7.467 ( 2.389 3.413 -2.472) 4.844 7.793 ( 5.508 0.306 2.639) 6.116 7.825 ( -2.978 -0.261 5.290) 6.076 7.881 ( -10.921 -1.033 1.166) 11.032 8.086 ( 7.708 -0.379 0.402) 7.728 8.145 ( 6.721 -2.357 -1.374) 7.254 8.682 ( 6.410 -0.757 -0.885) 6.515 9.347 ( 1.312 2.787 -6.459) 7.156 9.565 ( -7.153 -5.694 2.697) 9.532 10.130 ( -1.602 12.348 -7.447) 14.509 10.274 ( 8.091 0.600 -1.707) 8.291 10.310 ( -8.706 1.587 14.254) 16.777 10.515 ( 0.083 -1.689 1.085) 2.009 10.651 ( -1.825 -6.550 -5.826) 8.954 11.043 ( -4.256 -0.116 -0.431) 4.279 11.454 ( 3.601 1.192 3.738) 5.326 11.642 ( -1.514 0.806 -3.077) 3.523 13.356 ( 0.443 -0.767 3.190) 3.311 13.532 ( -2.450 -0.227 -2.421) 3.452 19.785 ( 0.518 -0.578 -0.058) 0.778 19.881 ( -2.496 -1.687 -1.870) 3.546 20.031 ( -6.706 3.584 6.865) 10.244 20.309 ( -2.933 -1.208 -4.158) 5.230 20.728 ( -5.086 -6.228 -3.868) 8.923 21.190 ( 4.231 -5.748 8.268) 10.922 21.446 ( 8.549 4.121 -3.538) 10.128 21.881 ( 14.830 6.314 -1.206) 16.163 25.798 ( -8.060 -0.290 -0.282) 8.070 25.878 ( -8.711 1.558 0.289) 8.854 27.587 ( 3.592 0.947 1.042) 3.858 27.652 ( 6.719 -0.719 -1.263) 6.874 ======================= Grid point 159 (68/95) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -1.183 0.000 3.222) 3.432 1.347 ( -5.901 0.000 -3.316) 6.769 1.419 ( -8.162 0.000 2.854) 8.646 1.605 ( -4.342 0.000 1.635) 4.640 1.772 ( -8.852 0.000 -2.157) 9.111 1.840 ( -0.893 0.000 13.843) 13.872 1.939 ( -10.943 0.000 -13.106) 17.074 1.949 ( 4.702 -0.000 2.444) 5.299 2.197 ( -2.885 0.000 3.273) 4.363 2.271 ( 6.419 -0.000 -4.236) 7.690 2.333 ( 3.842 -0.000 2.378) 4.518 2.393 ( -2.843 0.000 -0.031) 2.844 2.439 ( -2.111 0.000 -2.845) 3.542 2.513 ( -0.640 0.000 -1.469) 1.603 2.689 ( 3.216 -0.000 -3.343) 4.639 2.704 ( 10.686 -0.000 3.110) 11.129 2.743 ( -0.195 0.000 -3.783) 3.788 2.888 ( -6.354 0.000 -2.702) 6.905 2.900 ( -4.583 0.000 3.697) 5.888 3.024 ( -3.168 0.000 2.323) 3.928 3.047 ( -5.609 0.000 5.032) 7.535 3.172 ( 2.205 -0.000 -3.644) 4.259 3.300 ( 1.257 -0.000 -5.428) 5.571 3.534 ( 4.462 -0.000 3.364) 5.588 3.717 ( 2.539 -0.000 -0.192) 2.547 3.723 ( -4.573 0.000 0.957) 4.672 3.930 ( 1.420 -0.000 2.883) 3.213 3.974 ( 3.193 -0.000 -6.251) 7.019 4.088 ( -7.163 0.000 -0.458) 7.178 4.097 ( 0.230 -0.000 0.603) 0.645 4.162 ( 2.042 -0.000 -2.147) 2.963 4.241 ( -3.405 0.000 1.585) 3.756 4.599 ( 0.951 -0.000 1.419) 1.708 4.918 ( 4.777 -0.000 -1.380) 4.972 5.537 ( 4.740 -0.000 4.125) 6.283 5.626 ( -1.350 0.000 -4.589) 4.783 6.084 ( 0.430 -0.000 0.696) 0.818 6.220 ( 3.532 -0.000 3.220) 4.780 6.947 ( -18.795 0.000 -4.152) 19.248 6.980 ( -14.680 0.000 2.135) 14.834 7.402 ( -0.497 0.000 -1.649) 1.722 7.505 ( 4.186 -0.000 -2.032) 4.653 7.801 ( 0.320 -0.000 -4.813) 4.823 7.810 ( 6.146 -0.000 12.195) 13.656 7.877 ( -15.249 0.000 2.716) 15.489 8.092 ( -0.135 0.000 -2.808) 2.811 8.108 ( 14.189 -0.000 -0.048) 14.189 8.673 ( 7.054 -0.000 -0.954) 7.118 9.404 ( -2.097 0.000 -7.595) 7.879 9.481 ( -4.742 0.000 4.850) 6.783 10.260 ( 0.320 -0.000 6.667) 6.675 10.342 ( 1.745 -0.000 -10.958) 11.097 10.347 ( -3.666 0.000 5.263) 6.414 10.388 ( -0.705 0.000 -0.368) 0.795 10.609 ( 0.957 -0.000 -1.719) 1.968 11.043 ( -4.677 0.000 0.657) 4.722 11.464 ( 3.875 -0.000 4.302) 5.790 11.648 ( -0.495 0.000 -3.790) 3.822 13.349 ( 0.197 -0.000 2.719) 2.726 13.528 ( -2.660 0.000 -1.880) 3.257 19.782 ( -0.255 0.000 -0.082) 0.268 19.855 ( -2.405 0.000 -1.741) 2.969 20.089 ( -10.144 0.000 9.697) 14.033 20.288 ( -5.815 0.000 -7.545) 9.526 20.662 ( -4.072 0.000 -3.015) 5.067 21.130 ( 5.166 -0.000 7.630) 9.215 21.490 ( 10.146 -0.000 -3.249) 10.654 21.942 ( 15.852 -0.000 -1.115) 15.891 25.794 ( -7.191 0.000 -0.663) 7.222 25.893 ( -8.003 0.000 0.660) 8.030 27.598 ( 3.176 -0.000 2.053) 3.782 27.644 ( 7.471 -0.000 -2.329) 7.826 ======================= Grid point 160 (69/95) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -13.946 0.694 2.866) 14.254 1.173 ( -14.937 -5.853 3.542) 16.430 1.412 ( 2.098 2.524 1.084) 3.456 1.541 ( -3.715 1.934 -1.278) 4.379 1.638 ( -3.028 -0.949 -6.449) 7.187 1.755 ( -10.276 -5.882 -10.071) 15.544 1.876 ( 0.657 -4.116 12.743) 13.407 2.043 ( 4.566 0.008 -1.000) 4.675 2.139 ( -4.365 -2.574 7.566) 9.106 2.284 ( -5.225 5.219 -1.576) 7.552 2.348 ( -4.498 0.638 -3.704) 5.861 2.406 ( 1.904 2.279 2.778) 4.067 2.434 ( 1.960 -1.702 -2.712) 3.755 2.512 ( 4.183 -1.145 -0.584) 4.376 2.618 ( -9.471 -0.049 8.332) 12.614 2.704 ( -11.349 -3.619 -2.794) 12.235 2.795 ( -3.075 -2.970 -0.846) 4.358 2.818 ( 7.828 0.003 1.475) 7.966 2.878 ( 4.822 2.287 -4.946) 7.276 3.014 ( 1.166 -1.051 0.240) 1.588 3.094 ( 9.362 3.421 -0.455) 9.978 3.154 ( -3.162 -0.161 -5.643) 6.471 3.345 ( 4.240 1.490 -5.424) 7.044 3.582 ( -0.251 5.049 5.459) 7.441 3.661 ( 2.725 1.025 -2.980) 4.166 3.782 ( 2.304 -1.252 1.602) 3.073 3.953 ( -2.383 -0.433 -0.424) 2.459 3.968 ( -0.622 1.097 1.653) 2.079 4.024 ( 1.404 -1.393 -4.954) 5.334 4.072 ( -2.947 1.221 0.217) 3.197 4.150 ( -5.556 -1.214 3.790) 6.834 4.226 ( 3.893 -1.961 -0.730) 4.420 4.606 ( -1.185 -0.609 1.220) 1.806 4.954 ( -0.245 1.194 -2.555) 2.831 5.533 ( -6.514 1.496 -4.180) 7.883 5.551 ( -4.612 0.511 5.490) 7.189 6.058 ( -3.629 1.697 -1.662) 4.338 6.185 ( -11.411 0.307 6.552) 13.161 6.571 ( -19.215 -0.264 -3.464) 19.527 6.662 ( -18.647 -0.887 1.257) 18.711 7.284 ( -9.151 -0.105 -2.076) 9.385 7.437 ( -6.313 1.293 -2.350) 6.860 7.750 ( 4.001 3.075 5.565) 7.512 7.861 ( 1.557 1.243 -0.344) 2.022 7.880 ( -1.360 -0.338 4.423) 4.640 8.105 ( 1.352 -3.977 -1.124) 4.348 8.410 ( 15.373 -0.435 -7.859) 17.270 8.708 ( -2.908 -0.949 8.826) 9.341 9.343 ( -3.628 -1.941 -9.167) 10.048 9.451 ( -0.103 -0.077 0.246) 0.277 10.075 ( -11.750 2.548 7.007) 13.916 10.208 ( -6.368 9.182 -5.264) 12.352 10.372 ( -1.536 -4.391 -8.488) 9.679 10.490 ( 3.809 -2.991 7.017) 8.526 10.560 ( -5.352 2.693 4.284) 7.365 10.954 ( -5.321 -0.198 -4.749) 7.135 11.480 ( -1.662 0.643 7.664) 7.869 11.590 ( -4.244 1.022 -6.187) 7.572 13.348 ( -0.801 -0.522 4.235) 4.342 13.466 ( -3.931 -0.754 -3.320) 5.200 19.780 ( -1.243 0.266 0.547) 1.384 19.823 ( -1.827 -2.367 -2.843) 4.126 19.947 ( -3.959 0.475 7.699) 8.671 20.252 ( 0.637 -4.981 -6.258) 8.024 20.635 ( -0.173 -2.326 1.962) 3.048 21.303 ( 12.581 -2.557 2.822) 13.145 21.720 ( 15.937 3.683 2.378) 16.529 22.260 ( 21.005 4.436 -3.755) 21.794 25.482 ( -26.122 0.661 0.958) 26.148 25.597 ( -22.759 1.741 -1.565) 22.879 27.716 ( 9.000 0.228 -0.182) 9.004 27.827 ( 11.581 0.386 -0.510) 11.598 ======================= Grid point 169 (70/95) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -16.225 0.000 13.484) 21.096 0.854 ( -15.147 0.000 4.988) 15.947 1.384 ( -11.694 0.000 -16.524) 20.243 1.442 ( -3.943 0.000 -4.307) 5.839 1.595 ( -12.900 0.000 10.176) 16.430 1.614 ( 3.202 -0.000 -6.963) 7.664 1.755 ( -10.023 0.000 16.906) 19.654 2.012 ( -4.519 0.000 7.022) 8.351 2.109 ( -0.265 0.000 -4.783) 4.790 2.223 ( -3.487 0.000 -0.781) 3.573 2.240 ( -3.541 0.000 -2.956) 4.613 2.324 ( -6.831 0.000 -0.343) 6.840 2.465 ( 2.471 -0.000 -0.968) 2.654 2.475 ( -1.502 0.000 -12.861) 12.949 2.496 ( -3.780 0.000 12.509) 13.068 2.735 ( 9.562 -0.000 -2.849) 9.977 2.822 ( 6.952 -0.000 -3.159) 7.636 2.981 ( 4.464 -0.000 -6.486) 7.874 2.993 ( 8.501 -0.000 3.161) 9.070 3.027 ( -0.293 0.000 -0.904) 0.950 3.119 ( 2.782 -0.000 -4.480) 5.274 3.299 ( 8.551 -0.000 -1.602) 8.699 3.399 ( 1.408 -0.000 -3.053) 3.362 3.534 ( -5.036 0.000 -2.573) 5.655 3.746 ( 2.550 -0.000 1.002) 2.740 3.768 ( -3.246 0.000 2.333) 3.998 3.889 ( -2.698 0.000 4.189) 4.983 4.003 ( -2.151 0.000 -2.699) 3.452 4.013 ( -3.962 0.000 5.207) 6.543 4.058 ( 5.505 -0.000 2.030) 5.867 4.081 ( 1.919 -0.000 -2.091) 2.838 4.321 ( 7.815 -0.000 -1.059) 7.887 4.543 ( -5.834 0.000 -0.006) 5.834 4.897 ( -7.171 0.000 -3.871) 8.149 5.390 ( -6.820 0.000 -11.368) 13.257 5.434 ( -9.163 0.000 12.874) 15.802 5.799 ( -27.174 0.000 0.201) 27.175 5.918 ( -12.873 0.000 0.352) 12.878 6.319 ( -11.166 0.000 5.577) 12.481 6.337 ( -16.602 0.000 0.936) 16.629 7.154 ( -3.517 0.000 1.948) 4.021 7.439 ( 6.292 -0.000 -11.502) 13.110 7.791 ( -6.828 0.000 2.964) 7.444 7.846 ( -4.227 0.000 1.849) 4.614 7.892 ( 5.968 -0.000 3.670) 7.006 8.031 ( -8.535 0.000 4.023) 9.436 8.599 ( 5.752 -0.000 -13.588) 14.755 8.651 ( -0.178 0.000 8.217) 8.219 9.277 ( -0.403 0.000 -5.960) 5.974 9.460 ( -0.660 0.000 0.927) 1.138 9.894 ( -8.125 0.000 5.025) 9.553 10.158 ( -11.204 0.000 -2.610) 11.504 10.188 ( -5.511 0.000 -10.556) 11.908 10.478 ( -7.647 0.000 10.345) 12.864 10.573 ( 4.119 -0.000 1.645) 4.435 10.843 ( -6.009 0.000 -10.387) 12.000 11.428 ( -4.259 0.000 10.969) 11.767 11.537 ( -1.209 0.000 -6.439) 6.551 13.322 ( -1.875 0.000 4.135) 4.540 13.387 ( -3.588 0.000 -3.322) 4.890 19.737 ( -3.821 0.000 3.721) 5.333 19.770 ( -1.600 0.000 -3.888) 4.205 19.934 ( 1.546 -0.000 5.161) 5.388 20.252 ( 2.834 -0.000 -6.696) 7.271 20.690 ( 8.129 -0.000 13.104) 15.421 21.607 ( 22.247 -0.000 -0.245) 22.248 22.041 ( 16.120 -0.000 6.188) 17.267 22.694 ( 23.740 -0.000 -7.436) 24.878 24.895 ( -38.343 0.000 1.785) 38.385 25.116 ( -31.154 0.000 -6.503) 31.825 27.891 ( 9.856 -0.000 -2.200) 10.098 28.042 ( 11.227 -0.000 0.997) 11.272 ======================= Grid point 170 (71/95) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 4.643 -0.000 -20.930) 21.439 0.759 ( -4.643 0.000 20.930) 21.439 0.803 ( 0.634 -0.000 -17.207) 17.218 0.803 ( -0.634 0.000 17.207) 17.218 1.529 ( -0.475 0.000 -27.749) 27.753 1.529 ( 0.475 -0.000 27.749) 27.753 1.859 ( 3.042 -0.000 -4.072) 5.083 1.859 ( -3.042 0.000 4.072) 5.083 2.085 ( -0.355 0.000 -4.826) 4.839 2.085 ( 0.355 -0.000 4.826) 4.839 2.253 ( 2.037 -0.000 -9.626) 9.839 2.253 ( -2.037 0.000 9.626) 9.839 2.488 ( -1.714 0.000 -3.736) 4.110 2.488 ( 1.714 -0.000 3.736) 4.110 2.720 ( 3.231 -0.000 -9.338) 9.881 2.720 ( -3.231 0.000 9.338) 9.881 2.985 ( 1.710 -0.000 -4.652) 4.956 2.985 ( -1.710 0.000 4.652) 4.956 3.141 ( -6.557 0.000 -3.841) 7.600 3.141 ( 6.557 -0.000 3.841) 7.600 3.262 ( -0.679 0.000 -1.405) 1.561 3.262 ( 0.679 -0.000 1.405) 1.561 3.344 ( -2.144 0.000 0.222) 2.156 3.344 ( 2.144 -0.000 -0.222) 2.156 3.713 ( -0.488 0.000 -0.831) 0.964 3.713 ( 0.488 -0.000 0.831) 0.964 3.920 ( -2.137 0.000 -0.698) 2.248 3.920 ( 2.137 -0.000 0.698) 2.248 4.100 ( -9.476 0.000 1.795) 9.645 4.100 ( 9.476 -0.000 -1.795) 9.645 4.327 ( -6.998 0.000 -1.073) 7.079 4.327 ( 6.998 -0.000 1.073) 7.079 4.573 ( 0.836 -0.000 -9.323) 9.360 4.573 ( -0.836 0.000 9.323) 9.360 5.112 ( 7.088 -0.000 -9.050) 11.496 5.112 ( -7.088 0.000 9.050) 11.496 5.533 ( -2.999 0.000 -7.394) 7.979 5.533 ( 2.999 -0.000 7.394) 7.979 5.984 ( -0.416 0.000 -4.717) 4.736 5.984 ( 0.416 -0.000 4.717) 4.736 7.416 ( -3.503 0.000 -9.571) 10.192 7.416 ( 3.503 -0.000 9.571) 10.192 7.542 ( 8.243 -0.000 -6.344) 10.402 7.542 ( -8.243 0.000 6.344) 10.402 7.931 ( 4.348 -0.000 -7.877) 8.997 7.931 ( -4.348 0.000 7.877) 8.997 8.704 ( -3.141 0.000 -3.947) 5.044 8.704 ( 3.141 -0.000 3.947) 5.044 9.385 ( 4.662 -0.000 -1.835) 5.010 9.385 ( -4.662 0.000 1.835) 5.010 9.783 ( -0.624 0.000 -0.081) 0.629 9.783 ( 0.624 -0.000 0.081) 0.629 10.076 ( 12.565 -0.000 -4.856) 13.471 10.076 ( -12.565 0.000 4.856) 13.471 10.625 ( 1.501 -0.000 -3.599) 3.899 10.625 ( -1.501 0.000 3.599) 3.899 11.497 ( 3.902 -0.000 -9.412) 10.189 11.497 ( -3.902 0.000 9.412) 10.189 13.299 ( 1.836 -0.000 -2.480) 3.086 13.299 ( -1.836 0.000 2.480) 3.086 19.699 ( 1.949 -0.000 -3.800) 4.271 19.699 ( -1.949 0.000 3.800) 4.271 20.148 ( -0.430 0.000 -9.485) 9.495 20.148 ( 0.430 -0.000 9.485) 9.495 22.228 ( -31.448 0.000 2.817) 31.574 22.228 ( 31.448 -0.000 -2.817) 31.574 22.760 ( -23.237 0.000 -9.739) 25.195 22.760 ( 23.237 -0.000 9.739) 25.195 23.642 ( 3.301 -0.000 -4.304) 5.424 23.642 ( -3.301 0.000 4.304) 5.424 28.152 ( -6.153 0.000 0.398) 6.166 28.152 ( 6.153 -0.000 -0.398) 6.166 ======================= Grid point 172 (72/95) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 4.353 -8.916 13.816) 17.010 0.933 ( 10.342 -6.008 -15.088) 19.254 0.956 ( 12.579 0.997 -4.202) 13.300 1.047 ( 15.687 -7.285 3.625) 17.671 1.578 ( 6.674 -3.567 -3.368) 8.283 1.595 ( 1.122 -5.810 15.497) 16.589 1.840 ( 1.471 -3.147 4.554) 5.728 1.978 ( 9.016 -3.893 -15.887) 18.678 2.079 ( -1.116 2.419 4.640) 5.351 2.107 ( 2.502 -0.997 -4.213) 5.000 2.206 ( -1.807 0.096 8.042) 8.243 2.238 ( -1.859 1.028 -6.701) 7.030 2.404 ( -3.770 1.944 -1.508) 4.501 2.466 ( -2.867 0.036 4.430) 5.277 2.677 ( -1.564 0.892 8.710) 8.894 2.742 ( 0.441 -2.278 -11.375) 11.610 2.913 ( -4.991 3.028 3.202) 6.658 2.935 ( -5.972 4.692 -1.761) 7.796 3.003 ( -4.530 -2.003 -1.048) 5.063 3.147 ( -3.902 -0.189 1.255) 4.103 3.241 ( -3.590 4.165 -2.776) 6.160 3.299 ( 0.581 4.107 -0.248) 4.155 3.347 ( 4.145 1.591 1.526) 4.695 3.380 ( 0.906 -0.491 1.275) 1.639 3.735 ( 2.638 -0.533 1.476) 3.069 3.762 ( 3.234 -2.649 0.277) 4.190 3.912 ( 2.850 1.016 -2.582) 3.977 3.944 ( 1.000 0.888 1.627) 2.107 4.042 ( -0.169 -2.076 -2.010) 2.895 4.168 ( -9.771 1.264 -1.309) 9.939 4.310 ( -10.257 -1.313 -4.279) 11.191 4.358 ( 12.327 -0.220 -6.062) 13.738 4.409 ( -8.082 0.003 12.731) 15.080 4.593 ( 9.415 1.193 7.348) 12.003 5.085 ( 1.813 0.083 8.446) 8.639 5.399 ( 22.547 -0.400 -8.013) 23.931 5.563 ( 4.676 2.205 -12.726) 13.736 5.711 ( 14.263 3.481 -3.137) 15.012 6.081 ( 9.864 0.154 0.407) 9.874 6.129 ( 14.832 1.459 2.952) 15.193 7.286 ( -8.034 0.783 1.034) 8.138 7.334 ( -6.090 -3.533 3.009) 7.656 7.631 ( 9.404 -0.119 1.962) 9.607 7.718 ( 9.828 9.201 -2.814) 13.753 7.918 ( -0.124 -0.145 1.518) 1.530 8.020 ( 7.602 -5.428 -1.848) 9.523 8.596 ( -9.340 -2.686 -2.172) 9.958 8.750 ( 2.906 -0.878 -3.375) 4.540 9.311 ( -3.874 0.243 -1.151) 4.048 9.461 ( 1.890 -0.925 -1.353) 2.502 9.782 ( 3.343 7.919 5.462) 10.185 9.851 ( 7.765 2.760 -1.279) 8.339 10.003 ( 3.173 -5.390 9.119) 11.058 10.357 ( 18.531 3.714 -6.363) 19.942 10.594 ( -2.118 0.156 5.284) 5.695 10.675 ( 3.195 -2.255 -7.453) 8.417 11.409 ( -4.376 2.310 10.139) 11.282 11.542 ( 3.023 2.214 -7.718) 8.580 13.292 ( 0.240 -1.100 3.143) 3.339 13.353 ( 2.986 -1.751 -2.916) 4.526 19.685 ( -0.546 -1.469 3.728) 4.044 19.752 ( 2.924 -2.010 -3.004) 4.649 20.132 ( -2.586 -2.989 -7.874) 8.810 20.164 ( -1.297 -4.779 7.295) 8.817 21.513 ( -37.076 -2.579 -15.632) 40.319 21.981 ( -36.710 -0.578 12.803) 38.882 22.494 ( -6.630 7.115 -17.067) 19.644 22.758 ( -12.184 6.102 15.385) 20.552 24.173 ( 44.658 0.078 -2.058) 44.706 24.238 ( 44.157 1.114 4.603) 44.410 28.004 ( -8.572 0.118 3.058) 9.102 28.165 ( -4.031 1.747 1.701) 4.711 ======================= Grid point 173 (73/95) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 5.791 -6.109 -4.677) 9.629 1.136 ( 8.500 -5.971 7.722) 12.944 1.221 ( 12.098 -7.775 -12.351) 18.957 1.315 ( 6.173 -4.404 12.833) 14.906 1.586 ( -3.221 -3.190 -2.628) 5.240 1.772 ( 5.053 -3.031 -1.137) 6.001 1.999 ( 3.042 -0.188 1.206) 3.278 2.046 ( 3.659 0.187 4.966) 6.172 2.173 ( 0.998 1.487 3.051) 3.537 2.180 ( 4.356 -6.400 2.391) 8.102 2.241 ( 7.262 -4.484 -1.378) 8.645 2.314 ( 8.690 -4.559 -5.436) 11.219 2.366 ( 5.929 -0.327 -6.844) 9.061 2.457 ( 2.551 -1.520 2.865) 4.126 2.640 ( -5.020 1.698 1.632) 5.545 2.705 ( -6.146 0.660 0.657) 6.216 2.793 ( 0.599 -1.264 -2.220) 2.624 2.838 ( -1.024 3.144 -2.006) 3.868 2.985 ( -0.088 -0.958 3.277) 3.415 3.037 ( -7.462 2.493 -2.324) 8.203 3.120 ( -3.787 1.590 -4.071) 5.783 3.175 ( -6.090 5.627 -0.287) 8.297 3.327 ( -4.141 3.250 2.985) 6.051 3.453 ( 5.637 0.265 2.712) 6.261 3.782 ( 0.435 1.822 -0.859) 2.061 3.808 ( -3.414 -0.338 -0.872) 3.540 3.920 ( -2.514 1.320 4.283) 5.139 3.962 ( 2.949 0.989 -3.117) 4.404 4.010 ( -0.502 2.205 -0.543) 2.325 4.055 ( -2.295 -1.739 0.687) 2.960 4.177 ( -2.480 -0.871 -1.821) 3.198 4.288 ( -4.199 -3.454 4.217) 6.881 4.594 ( 8.591 -0.259 -5.846) 10.395 4.761 ( 7.768 2.308 6.813) 10.587 5.197 ( 10.432 0.529 7.076) 12.617 5.606 ( 4.455 4.942 -8.097) 10.480 5.863 ( 22.585 0.234 -4.388) 23.008 5.910 ( 16.278 4.348 -2.243) 16.998 6.303 ( 14.620 1.558 3.307) 15.070 6.383 ( 11.857 -0.259 -1.516) 11.957 7.204 ( 1.962 1.102 1.235) 2.567 7.285 ( -0.523 0.542 -1.412) 1.600 7.766 ( 6.419 5.860 0.115) 8.693 7.825 ( 6.617 0.645 -0.916) 6.711 7.862 ( -0.179 3.610 -0.587) 3.662 8.218 ( 2.734 -8.600 3.361) 9.630 8.440 ( -11.621 -4.149 4.246) 13.050 8.831 ( 3.604 -1.766 -8.279) 9.200 9.251 ( -2.216 -0.432 0.031) 2.258 9.462 ( -0.514 0.381 -0.158) 0.659 9.785 ( 5.974 8.623 6.220) 12.195 10.012 ( 12.583 3.348 -4.396) 13.743 10.187 ( 7.436 -6.093 10.597) 14.307 10.518 ( 3.133 6.712 -6.598) 9.920 10.656 ( 7.998 -2.060 -0.402) 8.269 10.767 ( 6.964 -0.141 -7.715) 10.394 11.337 ( -0.771 2.520 11.864) 12.153 11.569 ( 2.984 2.806 -5.893) 7.176 13.325 ( 2.365 -0.283 3.686) 4.389 13.422 ( 2.350 -2.180 -3.205) 4.533 19.707 ( 0.975 -1.715 3.137) 3.706 19.831 ( 2.515 -3.721 -2.043) 4.934 20.103 ( -3.680 -3.572 -5.250) 7.339 20.202 ( -1.203 -7.758 5.631) 9.661 21.027 ( -20.523 -4.479 -14.361) 25.446 21.495 ( -19.778 -4.217 13.664) 24.406 22.169 ( -17.483 9.141 -14.079) 24.237 22.399 ( -18.110 9.203 11.703) 23.444 24.918 ( 37.817 3.220 -1.884) 38.001 24.967 ( 37.118 2.649 2.583) 37.302 27.859 ( -7.832 -0.032 0.993) 7.894 28.011 ( -10.295 1.414 1.194) 10.460 ======================= Grid point 174 (74/95) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 4.641 0.724 -2.688) 5.412 1.304 ( 1.798 -4.442 2.689) 5.496 1.392 ( 3.259 -5.203 3.445) 7.041 1.522 ( 11.379 -9.053 -2.318) 14.725 1.641 ( 3.166 0.099 -1.128) 3.362 1.803 ( 1.472 -2.938 -1.055) 3.451 1.995 ( 0.415 2.363 0.786) 2.524 2.123 ( 0.808 -0.499 -1.291) 1.603 2.181 ( 2.513 -0.626 3.853) 4.643 2.237 ( -1.589 -0.780 -2.065) 2.720 2.349 ( 0.107 -1.740 -2.314) 2.897 2.403 ( 0.779 0.103 0.372) 0.869 2.424 ( -5.681 0.908 -2.804) 6.400 2.552 ( 2.151 -6.334 6.029) 9.005 2.615 ( -0.631 0.618 5.715) 5.783 2.751 ( 6.593 -1.545 -0.337) 6.780 2.840 ( 7.631 -1.578 -3.853) 8.693 2.859 ( -7.280 1.143 -2.373) 7.742 2.922 ( 3.497 -4.370 -3.928) 6.838 3.000 ( 1.153 2.322 4.350) 5.064 3.061 ( 1.575 1.360 0.071) 2.083 3.106 ( 2.493 -4.327 -4.972) 7.047 3.201 ( -4.703 3.998 2.735) 6.752 3.551 ( 6.355 1.826 -1.629) 6.810 3.600 ( -10.529 3.382 0.092) 11.060 3.737 ( -3.402 5.517 0.701) 6.519 3.923 ( 0.552 -1.911 3.477) 4.006 3.984 ( -0.286 0.725 -1.320) 1.533 4.022 ( -0.639 -1.927 -0.265) 2.048 4.053 ( 4.862 2.143 0.519) 5.339 4.191 ( 1.719 0.727 -0.485) 1.928 4.270 ( -2.470 -3.290 0.346) 4.128 4.688 ( 2.211 -0.901 -4.800) 5.361 4.821 ( 2.081 3.224 6.094) 7.202 5.390 ( 9.852 1.870 4.588) 11.028 5.614 ( 1.898 4.850 -4.114) 6.636 5.983 ( 4.366 3.839 -0.049) 5.814 6.325 ( 11.679 2.032 -7.853) 14.220 6.508 ( 16.857 -2.399 5.705) 17.957 6.685 ( 20.611 -2.302 1.554) 20.797 7.281 ( 5.111 1.741 -3.484) 6.426 7.365 ( 10.692 4.647 -0.875) 11.691 7.754 ( -1.301 1.818 -0.296) 2.256 7.824 ( 1.475 1.501 0.526) 2.169 7.936 ( 1.288 -0.179 -1.128) 1.722 8.260 ( -10.099 -2.269 2.895) 10.748 8.288 ( -1.960 -4.893 -0.945) 5.355 8.810 ( -8.729 -0.792 0.055) 8.765 9.221 ( -1.166 0.210 5.248) 5.380 9.540 ( 8.269 -3.407 -5.296) 10.394 9.835 ( 6.736 6.625 2.147) 9.689 10.140 ( 3.730 5.464 5.154) 8.386 10.377 ( 7.630 -5.545 4.169) 10.312 10.526 ( 4.050 3.729 -5.588) 7.844 10.720 ( -0.327 -0.949 -8.426) 8.485 10.933 ( 9.629 1.014 -3.028) 10.145 11.353 ( 3.943 2.581 11.165) 12.118 11.591 ( 2.020 1.895 -4.145) 4.986 13.380 ( 3.569 0.913 3.702) 5.223 13.469 ( 0.683 -2.152 -3.343) 4.035 19.749 ( 2.145 -0.725 2.323) 3.244 19.891 ( -0.530 -4.358 -1.697) 4.707 20.074 ( -2.112 -2.552 -2.653) 4.244 20.263 ( -0.349 -6.611 4.285) 7.886 20.813 ( -7.893 -5.024 -7.995) 12.307 21.321 ( -6.713 -6.755 8.493) 12.760 21.748 ( -17.517 8.768 -11.190) 22.560 21.991 ( -16.194 10.402 8.024) 20.853 25.478 ( 27.070 2.871 -0.344) 27.224 25.514 ( 25.625 2.377 0.589) 25.742 27.712 ( -7.882 0.863 -1.041) 7.997 27.803 ( -11.063 -0.059 1.500) 11.164 ======================= Grid point 175 (75/95) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.163 0.784 -0.042) 0.802 1.376 ( 3.123 -0.120 0.272) 3.137 1.509 ( 3.869 -3.185 2.158) 5.457 1.595 ( -3.588 0.782 -3.918) 5.370 1.806 ( 9.403 -7.884 0.849) 12.300 1.928 ( 5.357 -2.412 2.723) 6.475 1.985 ( -1.506 0.458 -1.677) 2.300 2.062 ( -2.963 4.934 3.370) 6.669 2.139 ( -5.966 3.928 -3.996) 8.185 2.238 ( 1.048 -2.313 0.141) 2.543 2.304 ( 0.547 0.736 -1.401) 1.674 2.429 ( 0.406 -5.025 -5.854) 7.725 2.442 ( 1.965 1.596 2.882) 3.836 2.550 ( 0.917 -2.924 6.186) 6.903 2.621 ( -2.313 0.932 -2.828) 3.771 2.665 ( -8.154 3.117 0.855) 8.772 2.814 ( 1.510 -2.532 0.524) 2.995 2.898 ( -4.213 1.514 0.415) 4.496 2.995 ( 6.322 -0.588 0.099) 6.350 3.063 ( 0.082 3.265 -0.605) 3.322 3.136 ( -1.264 -1.106 -0.405) 1.728 3.151 ( 7.368 -3.390 5.098) 9.580 3.269 ( 3.636 -5.981 -4.640) 8.398 3.419 ( -5.155 1.842 -0.280) 5.481 3.606 ( -1.145 3.145 0.184) 3.352 3.649 ( 2.173 3.899 -1.941) 4.868 3.939 ( -0.392 -1.615 1.114) 2.000 3.976 ( 0.384 -0.448 0.189) 0.620 4.061 ( 2.382 -1.244 -0.984) 2.862 4.121 ( 3.284 0.978 2.160) 4.051 4.185 ( -0.786 2.229 0.201) 2.372 4.244 ( -2.623 -1.648 -1.248) 3.339 4.718 ( 0.804 -0.974 -2.703) 2.983 4.803 ( -0.603 2.147 3.664) 4.289 5.498 ( 3.616 1.245 2.397) 4.513 5.594 ( -0.067 1.771 -1.920) 2.613 6.001 ( 0.892 1.261 -0.031) 1.545 6.342 ( -0.896 0.712 -1.281) 1.718 6.920 ( 17.717 -1.962 1.662) 17.903 7.059 ( 14.736 -1.099 -2.690) 15.020 7.347 ( 1.381 1.231 -0.527) 1.924 7.379 ( -3.478 2.333 -0.161) 4.192 7.724 ( -4.235 -0.320 6.462) 7.733 7.858 ( 2.488 0.421 -0.101) 2.526 7.971 ( 5.443 -1.248 -4.402) 7.111 8.093 ( -6.666 2.033 2.819) 7.517 8.335 ( 4.414 -2.450 -14.336) 15.199 8.565 ( -15.612 0.362 11.471) 19.377 9.230 ( 1.118 0.086 1.681) 2.020 9.731 ( 5.959 -4.438 -2.718) 7.912 9.885 ( 3.725 3.949 -1.862) 5.739 10.089 ( -2.829 2.742 6.899) 7.945 10.517 ( 2.918 -0.738 2.891) 4.174 10.569 ( 2.944 0.796 -5.946) 6.683 10.709 ( -0.640 -0.320 -2.576) 2.673 11.056 ( 3.763 -0.432 -1.737) 4.167 11.398 ( 2.189 1.926 4.984) 5.774 11.605 ( 0.768 0.338 -1.658) 1.858 13.428 ( 2.262 1.078 2.326) 3.419 13.484 ( -0.557 -1.410 -2.216) 2.685 19.790 ( 1.673 0.302 1.088) 2.019 19.895 ( -1.793 -2.411 -1.030) 3.176 20.073 ( -0.213 -0.984 -0.612) 1.179 20.297 ( -0.507 -1.968 1.261) 2.392 20.809 ( 0.769 -4.376 -1.430) 4.668 21.321 ( -2.597 -0.897 3.600) 4.529 21.456 ( -4.494 -1.922 -7.651) 9.079 21.654 ( -9.834 9.552 4.696) 14.491 25.814 ( 10.873 1.062 -0.055) 10.924 25.828 ( 9.820 0.934 0.145) 9.865 27.579 ( -4.525 0.759 -0.797) 4.657 27.653 ( -4.905 -0.483 0.825) 4.997 ======================= Grid point 181 (76/95) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 8.458 -0.000 7.426) 11.256 1.113 ( 12.020 -0.000 -12.367) 17.246 1.157 ( 9.916 -0.000 -0.886) 9.956 1.262 ( 11.471 -0.000 11.392) 16.166 1.533 ( -3.535 0.000 2.317) 4.227 1.760 ( 7.425 -0.000 -7.924) 10.859 1.962 ( 8.410 -0.000 11.533) 14.273 2.081 ( 1.481 -0.000 -8.502) 8.630 2.103 ( 2.822 -0.000 9.308) 9.726 2.182 ( 1.532 -0.000 -0.648) 1.663 2.226 ( 5.017 -0.000 6.417) 8.145 2.247 ( 12.856 -0.000 -17.195) 21.470 2.378 ( 0.192 -0.000 -0.759) 0.783 2.428 ( 1.538 -0.000 2.051) 2.564 2.645 ( -3.103 0.000 6.905) 7.570 2.732 ( -4.402 0.000 -8.048) 9.173 2.777 ( -3.227 0.000 -0.958) 3.367 2.886 ( -2.089 0.000 0.992) 2.312 2.972 ( 0.722 -0.000 3.084) 3.167 3.056 ( -6.573 0.000 -2.712) 7.111 3.149 ( -7.254 0.000 -6.468) 9.719 3.267 ( -8.270 0.000 2.003) 8.509 3.336 ( -3.257 0.000 2.836) 4.319 3.452 ( 6.077 -0.000 3.704) 7.117 3.768 ( -1.047 0.000 0.819) 1.329 3.801 ( 3.281 -0.000 -0.979) 3.424 3.963 ( -3.665 0.000 3.005) 4.739 3.978 ( 2.520 -0.000 -4.840) 5.457 4.025 ( -2.333 0.000 -0.176) 2.340 4.037 ( -1.177 0.000 1.798) 2.149 4.166 ( -0.916 0.000 -4.679) 4.768 4.241 ( -5.899 0.000 7.133) 9.256 4.592 ( 8.312 -0.000 -6.454) 10.524 4.782 ( 7.790 -0.000 7.270) 10.655 5.201 ( 10.860 -0.000 7.364) 13.121 5.650 ( 3.995 -0.000 -8.395) 9.297 5.864 ( 28.331 -0.000 -5.493) 28.858 5.965 ( 10.095 -0.000 -3.214) 10.594 6.311 ( 15.792 -0.000 3.401) 16.154 6.381 ( 8.213 -0.000 -0.088) 8.214 7.249 ( 0.387 -0.000 -8.009) 8.019 7.249 ( 4.176 -0.000 7.249) 8.365 7.819 ( 10.322 -0.000 -1.257) 10.399 7.870 ( 0.603 -0.000 0.286) 0.667 7.938 ( 0.547 -0.000 1.224) 1.341 8.062 ( 0.513 -0.000 0.698) 0.866 8.396 ( -9.466 0.000 5.972) 11.192 8.811 ( 3.747 -0.000 -8.552) 9.337 9.251 ( -2.458 0.000 -2.532) 3.528 9.465 ( -0.505 0.000 -0.332) 0.604 9.926 ( 6.425 -0.000 4.851) 8.051 10.059 ( 9.137 -0.000 7.113) 11.579 10.074 ( 11.089 -0.000 -2.635) 11.398 10.552 ( -2.656 0.000 7.406) 7.868 10.705 ( 1.946 -0.000 -10.313) 10.495 10.728 ( 17.763 -0.000 -5.591) 18.622 11.363 ( -1.493 0.000 12.182) 12.274 11.594 ( 1.913 -0.000 -6.213) 6.501 13.319 ( 2.954 -0.000 3.567) 4.632 13.399 ( 2.743 -0.000 -3.499) 4.446 19.691 ( 1.656 -0.000 3.961) 4.293 19.794 ( 2.445 -0.000 -2.459) 3.468 20.086 ( -0.388 0.000 -9.721) 9.729 20.106 ( -2.126 0.000 7.967) 8.246 20.982 ( -19.679 0.000 -15.583) 25.102 21.451 ( -20.943 0.000 15.497) 26.053 22.261 ( -19.011 0.000 -14.937) 24.178 22.489 ( -19.210 0.000 13.055) 23.226 24.954 ( 38.060 -0.000 -4.666) 38.345 24.992 ( 36.574 -0.000 5.737) 37.021 27.858 ( -7.550 0.000 0.937) 7.608 28.026 ( -11.244 0.000 1.990) 11.419 ======================= Grid point 182 (77/95) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 9.859 -3.897 1.850) 10.761 1.288 ( 6.773 4.512 0.412) 8.149 1.346 ( 2.754 -0.784 7.384) 7.920 1.408 ( 12.327 -3.828 2.950) 13.241 1.617 ( 10.307 -3.130 -6.499) 12.580 1.765 ( -3.211 -0.252 -5.932) 6.750 2.016 ( -0.296 -0.078 1.717) 1.744 2.088 ( 0.493 -1.306 -6.444) 6.593 2.174 ( 0.277 -1.164 10.495) 10.563 2.221 ( 2.635 0.175 -1.770) 3.179 2.323 ( 3.721 -1.230 1.481) 4.189 2.369 ( -0.248 -1.460 -0.177) 1.491 2.450 ( 2.669 0.793 1.799) 3.315 2.508 ( -1.442 0.613 -2.713) 3.133 2.634 ( 1.743 1.492 4.201) 4.787 2.677 ( 5.577 -4.735 1.804) 7.535 2.842 ( 1.615 1.981 -3.801) 4.581 2.862 ( -1.730 0.036 -5.126) 5.410 2.899 ( -0.876 -0.859 -7.576) 7.675 3.020 ( 3.894 0.354 7.183) 8.178 3.069 ( -1.625 -0.192 -4.462) 4.752 3.095 ( -4.792 1.388 -0.375) 5.003 3.260 ( -4.650 1.445 3.100) 5.773 3.564 ( 5.836 -0.113 3.625) 6.871 3.680 ( -6.398 3.994 -2.593) 7.976 3.804 ( -2.816 0.711 -0.153) 2.908 3.887 ( -1.734 -0.538 5.445) 5.739 3.979 ( -0.482 -2.033 -1.460) 2.549 4.022 ( 1.373 2.787 -1.876) 3.629 4.078 ( 3.117 -0.123 -0.208) 3.126 4.190 ( -0.181 -1.606 1.910) 2.502 4.210 ( 1.509 -1.165 -1.210) 2.258 4.670 ( 1.303 -0.645 -5.958) 6.132 4.860 ( 1.458 1.004 6.757) 6.985 5.412 ( 9.924 0.546 5.419) 11.320 5.675 ( -0.569 1.575 -4.414) 4.720 6.062 ( 3.499 3.447 -1.238) 5.066 6.327 ( 9.897 -1.171 -7.308) 12.358 6.471 ( 15.080 -1.153 6.375) 16.413 6.661 ( 21.748 -0.443 1.009) 21.776 7.303 ( 5.707 0.647 -3.980) 6.988 7.437 ( 12.039 2.225 -1.351) 12.317 7.806 ( -5.941 2.710 2.048) 6.844 7.855 ( -2.479 1.009 -2.426) 3.612 7.958 ( 3.525 4.010 -0.908) 5.416 8.111 ( 0.704 -10.121 -2.970) 10.572 8.255 ( -7.890 -0.331 7.376) 10.805 8.792 ( -8.137 -0.719 0.944) 8.223 9.238 ( 1.320 0.910 0.884) 1.830 9.498 ( 5.338 -1.155 -5.549) 7.786 9.993 ( 6.224 8.663 5.533) 12.016 10.198 ( 0.071 -4.254 9.439) 10.353 10.299 ( 13.918 2.193 -5.144) 14.999 10.529 ( -0.412 -2.764 5.391) 6.073 10.707 ( -0.787 -0.096 -14.135) 14.157 10.970 ( 9.670 1.783 -5.802) 11.417 11.392 ( 4.498 1.321 13.689) 14.470 11.603 ( -0.718 -0.103 -4.308) 4.369 13.389 ( 4.253 0.201 4.057) 5.881 13.437 ( 0.907 -1.039 -4.185) 4.407 19.742 ( 3.413 -0.213 3.122) 4.631 19.824 ( -0.163 -2.182 -2.061) 3.006 20.069 ( 0.659 1.989 1.968) 2.875 20.157 ( 4.093 -4.744 -3.090) 6.986 20.744 ( -8.096 -1.919 -8.534) 11.919 21.218 ( -8.002 -3.297 10.546) 13.643 21.873 ( -19.920 3.695 -11.778) 23.435 22.130 ( -17.739 3.924 9.233) 20.380 25.512 ( 24.396 0.896 -2.113) 24.504 25.553 ( 25.571 1.271 2.599) 25.735 27.726 ( -6.812 0.481 -1.354) 6.961 27.801 ( -12.636 -0.089 1.936) 12.784 ======================= Grid point 183 (78/95) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 2.054 5.403 1.181) 5.900 1.354 ( 5.798 -3.829 2.509) 7.387 1.451 ( 5.155 -0.148 1.957) 5.516 1.609 ( 1.584 1.444 -1.148) 2.432 1.720 ( 7.019 -1.768 0.750) 7.277 1.869 ( 9.196 -3.463 -1.187) 9.898 1.986 ( -3.204 -0.310 0.451) 3.251 2.138 ( -3.010 -0.230 2.519) 3.932 2.149 ( 2.647 -2.540 -4.840) 6.073 2.222 ( -0.987 1.371 0.213) 1.703 2.363 ( 1.426 4.065 -3.646) 5.644 2.375 ( -0.893 0.833 -2.123) 2.449 2.440 ( 3.963 -2.076 1.584) 4.746 2.512 ( -2.395 0.530 2.617) 3.587 2.580 ( -2.009 -3.189 2.501) 4.523 2.690 ( -10.659 -0.586 -0.629) 10.693 2.763 ( -3.146 -1.606 1.114) 3.704 2.881 ( 3.169 -4.825 1.508) 5.966 2.997 ( 4.009 2.186 -2.344) 5.133 3.080 ( 1.640 -2.145 -0.601) 2.766 3.115 ( 2.411 0.735 1.033) 2.724 3.154 ( 5.403 0.400 -2.572) 5.998 3.203 ( 4.950 -0.006 -0.494) 4.974 3.492 ( -5.610 4.990 0.266) 7.513 3.667 ( 0.356 3.475 -0.572) 3.539 3.737 ( 0.691 3.489 -0.812) 3.649 3.889 ( -0.361 -3.113 2.091) 3.767 3.980 ( -0.227 -0.180 0.558) 0.629 4.037 ( 2.279 0.230 0.182) 2.298 4.141 ( 2.977 0.433 -0.543) 3.057 4.194 ( -1.726 -2.999 -1.497) 3.771 4.225 ( -0.547 1.674 0.942) 1.997 4.682 ( -0.492 -2.263 -4.472) 5.036 4.834 ( -3.122 0.969 5.784) 6.644 5.517 ( 2.100 0.794 3.967) 4.558 5.609 ( -4.718 0.006 -2.304) 5.251 6.058 ( 0.651 4.269 -1.298) 4.510 6.312 ( -4.324 -3.463 -0.441) 5.557 6.902 ( 20.983 -0.092 0.348) 20.986 7.038 ( 15.537 -1.031 -2.474) 15.766 7.373 ( -0.507 1.276 -0.285) 1.402 7.434 ( -6.187 3.061 0.743) 6.943 7.713 ( -2.241 -0.873 6.045) 6.506 7.898 ( 3.801 3.651 -0.065) 5.271 7.945 ( 0.962 -0.903 -4.514) 4.703 8.108 ( -7.683 -1.300 2.146) 8.082 8.256 ( 8.289 -4.620 -14.130) 17.021 8.559 ( -15.804 -0.705 11.224) 19.397 9.264 ( 2.860 2.931 1.325) 4.304 9.652 ( 7.543 -3.549 -4.385) 9.419 9.998 ( 1.839 7.153 3.967) 8.383 10.149 ( -4.701 2.403 6.722) 8.547 10.463 ( 2.917 -2.547 7.388) 8.341 10.556 ( -1.918 -2.416 -3.078) 4.357 10.707 ( 2.465 -0.681 -16.232) 16.432 11.073 ( 4.595 1.775 -2.220) 5.403 11.442 ( 0.368 2.941 7.174) 7.762 11.582 ( -1.961 -2.620 0.310) 3.287 13.432 ( -0.844 -0.580 -3.288) 3.444 13.471 ( 3.060 -0.023 2.811) 4.155 19.792 ( 0.974 0.125 -0.099) 0.987 19.854 ( 2.303 -2.323 -0.027) 3.271 20.082 ( 2.771 2.665 3.736) 5.361 20.293 ( 7.221 0.053 -4.253) 8.380 20.706 ( 0.524 -5.101 -1.579) 5.365 21.211 ( 1.097 -6.909 5.832) 9.108 21.508 ( -14.463 4.039 -9.424) 17.729 21.811 ( -12.049 6.187 5.738) 14.710 25.803 ( 7.128 -0.713 -0.852) 7.214 25.870 ( 9.805 1.888 1.101) 10.046 27.593 ( -6.443 0.591 0.776) 6.517 27.645 ( -3.521 -0.376 -0.854) 3.643 ======================= Grid point 184 (79/95) ======================= q-point: (-0.56 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 1.512 5.347 -0.560) 5.585 1.396 ( -1.298 1.717 1.701) 2.744 1.531 ( -0.534 -1.799 0.812) 2.045 1.585 ( 3.382 2.152 0.696) 4.069 1.909 ( 5.275 -3.038 5.026) 7.894 1.927 ( -1.146 -0.788 -2.907) 3.223 1.984 ( -1.000 4.268 -1.389) 4.598 2.066 ( -5.339 3.365 -3.512) 7.222 2.103 ( 3.429 1.622 4.338) 5.763 2.285 ( 3.262 2.368 2.071) 4.532 2.320 ( -1.513 1.781 -0.871) 2.494 2.396 ( 0.702 -2.531 -6.081) 6.624 2.498 ( 2.430 -1.407 1.917) 3.400 2.537 ( -0.887 -2.932 -2.052) 3.687 2.570 ( 1.351 -2.619 5.314) 6.076 2.589 ( 0.032 -2.483 -2.995) 3.890 2.795 ( 0.175 -5.990 2.384) 6.450 2.889 ( 0.978 2.335 0.079) 2.533 3.005 ( -3.653 -2.861 0.293) 4.649 3.057 ( -2.713 5.129 -1.781) 6.069 3.139 ( 2.209 0.489 -3.628) 4.275 3.224 ( 1.142 2.324 -3.062) 4.010 3.358 ( 7.925 0.736 4.875) 9.333 3.421 ( 2.286 2.177 0.994) 3.309 3.571 ( -4.797 1.406 -0.277) 5.007 3.661 ( -5.106 4.751 -0.332) 6.982 3.938 ( 1.167 -1.337 -0.089) 1.777 3.989 ( 0.759 -0.298 0.939) 1.244 4.071 ( -2.183 0.289 0.658) 2.298 4.110 ( -2.198 -0.300 -4.349) 4.883 4.161 ( -3.077 0.315 1.321) 3.363 4.248 ( 3.526 -1.248 1.547) 4.048 4.698 ( -0.729 -2.969 -2.599) 4.012 4.770 ( -3.127 -1.196 2.285) 4.053 5.470 ( -6.770 -1.678 -2.422) 7.383 5.548 ( -3.800 -2.731 2.970) 5.543 6.015 ( -1.696 2.586 -0.904) 3.222 6.288 ( -2.776 -4.564 1.585) 5.572 6.970 ( -14.955 2.937 -2.662) 15.471 7.076 ( -11.859 0.628 2.765) 12.194 7.331 ( -3.863 -0.325 1.486) 4.151 7.354 ( 1.677 -0.430 0.416) 1.781 7.731 ( 0.905 0.590 -6.841) 6.926 7.876 ( -0.653 2.050 -0.176) 2.159 7.973 ( -4.107 -1.430 4.498) 6.257 8.049 ( 6.269 -2.348 -4.051) 7.825 8.344 ( -5.762 -0.790 13.280) 14.498 8.541 ( 16.569 -2.051 -10.904) 19.940 9.265 ( 0.424 3.424 -2.008) 3.992 9.770 ( 1.363 -0.865 2.928) 3.344 9.895 ( -7.569 4.791 6.313) 10.959 10.068 ( -0.840 0.684 -6.648) 6.736 10.469 ( -5.589 -4.585 7.420) 10.359 10.514 ( -5.244 -4.548 3.646) 7.841 10.748 ( 2.400 2.756 -14.306) 14.766 11.090 ( -1.524 2.834 2.811) 4.273 11.366 ( -5.784 -1.358 -2.436) 6.421 11.572 ( -3.087 -2.880 4.324) 6.043 13.401 ( -3.055 -1.500 -3.690) 5.020 13.512 ( 1.765 1.333 3.002) 3.729 19.791 ( -0.134 0.634 -1.279) 1.434 19.929 ( 3.865 0.215 0.376) 3.889 20.114 ( 4.292 4.487 4.710) 7.794 20.384 ( 6.613 6.385 -5.811) 10.875 20.820 ( 4.523 -3.721 2.603) 6.409 21.288 ( -0.060 -1.328 2.116) 2.499 21.419 ( 6.656 -9.241 -5.248) 12.539 21.608 ( -3.043 5.713 2.632) 6.988 25.764 ( -13.095 -2.713 -0.926) 13.405 25.839 ( -11.692 0.761 1.002) 11.760 27.566 ( 3.657 -0.618 1.360) 3.951 27.662 ( 5.265 0.404 -1.520) 5.495 ======================= Grid point 185 (80/95) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -2.503 3.215 0.651) 4.126 1.371 ( 3.222 3.902 1.230) 5.208 1.503 ( -0.706 4.555 2.443) 5.217 1.647 ( 2.309 1.370 -0.201) 2.692 1.746 ( -8.788 13.175 0.747) 15.854 1.854 ( -4.099 2.055 -3.192) 5.587 1.952 ( -2.369 -0.965 -0.834) 2.690 2.079 ( 2.983 -3.266 -2.187) 4.935 2.210 ( 2.352 -2.211 3.139) 4.503 2.236 ( -1.918 2.784 0.733) 3.460 2.359 ( 3.114 1.208 1.549) 3.682 2.397 ( 0.708 -0.335 0.876) 1.175 2.474 ( -0.665 3.765 3.772) 5.371 2.561 ( 1.408 -2.200 -7.986) 8.403 2.654 ( 2.131 0.139 -1.030) 2.371 2.714 ( 3.415 -8.799 0.455) 9.450 2.827 ( -4.766 -0.972 1.967) 5.247 2.888 ( -1.052 6.047 -2.903) 6.789 2.913 ( -1.679 -5.901 1.948) 6.437 3.036 ( 1.696 1.807 -1.714) 3.013 3.101 ( -4.221 8.421 -4.683) 10.520 3.153 ( -0.499 1.480 0.993) 1.851 3.269 ( -5.506 11.108 5.424) 13.533 3.522 ( -6.686 -0.579 2.878) 7.302 3.547 ( 8.324 -2.622 -1.124) 8.800 3.624 ( 5.478 -5.707 0.337) 7.918 3.940 ( -1.040 0.062 -1.246) 1.624 3.983 ( -2.642 -0.210 1.419) 3.006 4.016 ( -2.986 -1.516 -3.213) 4.641 4.042 ( -0.955 0.152 0.502) 1.090 4.174 ( 0.511 -0.821 0.182) 0.984 4.307 ( 2.473 0.518 0.064) 2.528 4.693 ( -2.192 -0.702 2.258) 3.224 4.745 ( -3.410 -4.279 -3.777) 6.648 5.339 ( -10.298 -3.642 -4.428) 11.786 5.503 ( -5.813 -6.393 4.332) 9.665 5.938 ( -6.445 -0.822 -0.307) 6.504 6.251 ( -9.643 -5.371 6.183) 12.652 6.561 ( -22.707 3.261 -3.809) 23.254 6.738 ( -19.234 2.976 -1.334) 19.509 7.229 ( -6.512 -3.661 3.867) 8.412 7.301 ( -9.255 -1.794 -0.343) 9.433 7.728 ( 0.047 -1.641 -1.565) 2.268 7.816 ( -2.932 1.148 0.053) 3.149 7.948 ( -1.735 0.941 2.048) 2.845 8.272 ( 10.993 -1.273 -8.845) 14.167 8.325 ( 3.319 -0.462 7.032) 7.789 8.817 ( 10.008 -0.064 0.369) 10.015 9.244 ( 2.302 2.476 -8.067) 8.747 9.630 ( -10.826 6.103 4.098) 13.086 9.766 ( -5.069 -0.846 4.744) 6.994 10.063 ( -2.908 -2.575 -9.249) 10.031 10.382 ( -9.443 -5.547 3.018) 11.360 10.452 ( -5.889 -3.633 10.466) 12.546 10.738 ( 0.172 1.803 -6.872) 7.107 10.954 ( -9.503 3.008 3.597) 10.597 11.299 ( -3.955 -3.168 -7.340) 8.919 11.529 ( -5.193 -4.449 4.729) 8.314 13.356 ( -3.117 -1.491 -2.715) 4.394 13.510 ( -0.378 2.006 1.969) 2.836 19.779 ( 0.488 2.518 -1.385) 2.915 19.964 ( 1.183 2.875 0.224) 3.117 20.157 ( 5.847 6.282 5.808) 10.363 20.411 ( 4.312 8.868 -8.797) 13.215 20.909 ( 8.465 4.272 7.028) 11.802 21.407 ( 7.262 -0.978 -4.190) 8.441 21.603 ( 11.812 -3.438 7.248) 14.278 21.765 ( 13.788 -12.577 -5.649) 19.498 25.409 ( -28.425 -4.006 -1.134) 28.729 25.476 ( -27.585 -1.676 1.112) 27.659 27.698 ( 8.722 -0.658 0.681) 8.773 27.803 ( 9.669 -0.066 -1.052) 9.726 ======================= Grid point 186 (81/95) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -2.277 3.865 6.193) 7.647 1.359 ( -3.045 11.825 -5.065) 13.220 1.407 ( -6.162 9.289 4.937) 12.191 1.426 ( -6.765 10.266 -3.428) 12.763 1.654 ( 3.968 5.516 -0.873) 6.851 1.834 ( 1.925 1.700 0.838) 2.701 1.949 ( -0.994 -3.478 1.092) 3.778 2.079 ( -6.577 2.923 -4.262) 8.365 2.156 ( 3.103 -1.299 -2.723) 4.328 2.275 ( -5.848 -4.205 2.885) 7.759 2.301 ( 0.280 5.428 1.816) 5.730 2.361 ( -6.673 4.301 -3.983) 8.882 2.492 ( -3.843 5.441 -2.740) 7.203 2.509 ( -13.465 7.622 4.966) 16.250 2.610 ( 6.062 1.079 -0.107) 6.158 2.691 ( 3.620 -4.064 -1.154) 5.563 2.765 ( 0.397 1.209 -0.333) 1.316 2.880 ( -3.136 3.096 4.100) 6.019 2.983 ( 6.160 -0.943 -0.619) 6.263 3.027 ( 1.634 -0.907 -0.984) 2.113 3.049 ( 2.237 -1.488 -0.831) 2.812 3.141 ( 3.252 1.647 3.812) 5.275 3.245 ( 3.608 -3.274 -1.114) 4.998 3.433 ( -4.882 -1.575 -0.071) 5.130 3.728 ( 0.675 -4.321 -0.182) 4.377 3.742 ( 5.857 -4.509 -0.018) 7.392 3.920 ( -1.207 -1.307 -2.198) 2.828 3.942 ( -4.528 -1.732 -0.237) 4.854 3.983 ( 3.257 0.210 2.405) 4.054 4.078 ( 2.466 0.380 -0.165) 2.500 4.188 ( 2.700 0.513 -0.544) 2.802 4.337 ( 2.396 1.443 -2.125) 3.513 4.600 ( -8.944 0.326 4.659) 10.090 4.696 ( -7.445 -4.540 -5.677) 10.405 5.175 ( -9.409 -2.100 -6.377) 11.558 5.470 ( -6.119 -8.966 7.118) 12.980 5.783 ( -13.698 -5.732 -0.915) 14.877 5.913 ( -25.788 2.467 5.835) 26.555 6.238 ( -15.012 -4.822 -1.285) 15.820 6.402 ( -15.662 1.788 1.000) 15.796 7.192 ( -0.742 -2.577 -6.749) 7.262 7.231 ( 1.967 -2.411 5.992) 6.752 7.720 ( -5.944 0.663 -0.249) 5.986 7.770 ( -0.315 -5.094 1.790) 5.409 7.838 ( -8.561 1.076 0.415) 8.639 8.307 ( -3.697 0.513 -5.381) 6.549 8.513 ( 12.137 2.682 -1.946) 12.581 8.864 ( -2.475 1.714 6.869) 7.500 9.289 ( 2.850 3.604 -6.780) 8.191 9.454 ( -1.899 -0.038 0.243) 1.914 9.691 ( -3.984 -1.226 0.104) 4.169 9.957 ( -9.990 -1.876 -0.284) 10.169 10.227 ( -11.762 -3.074 -3.896) 12.766 10.402 ( -4.534 -3.686 9.786) 11.398 10.721 ( -1.700 1.509 4.499) 5.040 10.744 ( -9.436 0.545 -1.923) 9.645 11.279 ( -0.851 -3.493 -9.937) 10.568 11.485 ( -5.150 -5.945 5.905) 9.835 13.322 ( -1.451 -0.615 -1.946) 2.504 13.467 ( -2.025 2.332 1.137) 3.291 19.760 ( 1.023 4.094 -1.696) 4.548 19.918 ( -1.738 5.107 0.783) 5.451 20.207 ( 5.956 6.992 7.067) 11.589 20.369 ( 1.720 9.542 -9.747) 13.748 21.131 ( 21.361 5.814 11.123) 24.775 21.579 ( 16.471 3.434 -10.057) 19.602 21.960 ( 15.432 -11.486 12.236) 22.799 22.170 ( 16.140 -14.147 -8.901) 23.235 24.847 ( -37.094 -4.152 0.140) 37.326 24.906 ( -37.640 -3.307 -0.389) 37.787 27.859 ( 8.373 -0.027 -1.035) 8.436 27.982 ( 8.689 -1.441 -0.069) 8.808 ======================= Grid point 187 (82/95) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -4.671 5.805 5.864) 9.482 1.096 ( -6.002 15.901 -7.879) 18.734 1.124 ( -9.644 12.532 8.657) 18.027 1.203 ( -12.756 8.782 -4.037) 16.004 1.689 ( 2.738 7.515 2.888) 8.503 1.783 ( 0.688 12.272 -10.451) 16.134 1.954 ( -0.696 5.156 -0.056) 5.203 2.013 ( 0.587 -1.528 -8.789) 8.940 2.086 ( -6.507 2.028 12.367) 14.121 2.116 ( -6.202 5.324 0.970) 8.232 2.227 ( 0.599 3.225 -2.382) 4.053 2.282 ( -1.784 4.747 5.608) 7.561 2.339 ( 2.094 -3.136 1.034) 3.910 2.437 ( -0.347 -2.963 -3.747) 4.789 2.690 ( 1.480 2.451 -9.441) 9.865 2.786 ( -2.472 1.471 6.741) 7.329 2.837 ( 5.865 -2.918 4.334) 7.855 2.842 ( 4.359 -5.250 -1.041) 6.903 3.025 ( 3.731 0.965 1.481) 4.129 3.142 ( 5.293 -0.787 -1.938) 5.692 3.149 ( 3.730 -5.741 -0.307) 6.853 3.233 ( 4.231 -1.486 1.823) 4.840 3.290 ( -4.177 -4.414 0.780) 6.126 3.375 ( -2.304 -0.472 -2.407) 3.365 3.726 ( -1.739 -1.600 -3.400) 4.141 3.771 ( -4.693 -2.285 3.522) 6.297 3.886 ( -2.748 -1.646 0.797) 3.301 3.932 ( -0.802 -1.003 -2.346) 2.675 4.072 ( 2.448 0.525 3.726) 4.489 4.148 ( 8.998 -0.603 0.080) 9.019 4.323 ( 11.020 -1.090 0.240) 11.076 4.370 ( -9.744 1.190 5.697) 11.350 4.397 ( -0.515 -1.232 -6.568) 6.702 4.556 ( -9.127 -2.458 -6.313) 11.366 5.077 ( -2.307 -0.891 -8.145) 8.513 5.388 ( -18.607 -3.005 9.542) 21.125 5.494 ( -9.474 -4.199 6.050) 11.999 5.613 ( -11.247 -5.700 1.769) 12.733 6.043 ( -10.503 -3.966 -3.054) 11.635 6.122 ( -12.957 1.393 2.101) 13.200 7.286 ( 8.441 -0.632 -5.627) 10.164 7.352 ( 6.851 -2.842 1.613) 7.590 7.583 ( -8.248 -1.737 2.056) 8.676 7.653 ( -9.255 1.091 -2.474) 9.642 7.844 ( 2.004 -5.626 3.739) 7.047 8.135 ( -11.779 3.818 -4.581) 13.202 8.657 ( 6.431 2.633 2.985) 7.563 8.780 ( -3.160 2.059 2.113) 4.323 9.317 ( 4.582 1.318 -1.519) 5.004 9.476 ( -0.060 -0.061 0.071) 0.111 9.656 ( -1.351 -3.026 -5.324) 6.271 9.799 ( -8.577 -2.437 4.263) 9.883 10.058 ( -5.946 -0.003 -11.464) 12.914 10.291 ( -12.077 -1.499 14.396) 18.850 10.617 ( -0.269 1.914 -7.779) 8.016 10.692 ( -3.209 -0.660 8.387) 9.004 11.335 ( 2.804 -5.139 -10.243) 11.798 11.460 ( -4.232 -6.216 7.417) 10.562 13.315 ( 0.868 0.909 -2.025) 2.384 13.399 ( -2.785 2.539 1.369) 4.009 19.741 ( 1.544 4.517 -2.130) 5.227 19.824 ( -2.760 5.401 1.585) 6.269 20.236 ( 3.981 7.175 8.135) 11.554 20.300 ( 0.612 8.695 -9.024) 12.546 21.586 ( 33.547 4.054 10.299) 35.326 21.987 ( 30.969 -1.004 -10.653) 32.765 22.289 ( 5.094 -12.166 14.428) 19.548 22.558 ( 10.637 -13.685 -10.681) 20.359 24.169 ( -39.163 -0.439 2.214) 39.228 24.203 ( -40.717 -2.216 -3.236) 40.905 28.001 ( 7.476 -0.197 -2.901) 8.022 28.118 ( 3.387 -2.705 0.667) 4.385 ======================= Grid point 188 (83/95) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -0.365 7.358 -12.875) 14.834 0.864 ( 0.365 7.358 12.875) 14.834 0.927 ( 2.630 13.913 -14.189) 20.045 0.927 ( -2.630 13.913 14.189) 20.045 1.638 ( -1.193 10.868 -21.879) 24.458 1.638 ( 1.193 10.868 21.879) 24.458 1.919 ( 0.431 6.242 -5.286) 8.191 1.919 ( -0.431 6.242 5.286) 8.191 2.078 ( 1.657 -2.066 -5.287) 5.914 2.078 ( -1.657 -2.066 5.287) 5.914 2.230 ( 0.998 0.365 -9.031) 9.094 2.230 ( -0.998 0.365 9.031) 9.094 2.449 ( -2.739 -4.195 -3.665) 6.207 2.449 ( 2.739 -4.195 3.665) 6.207 2.717 ( 3.322 0.408 -11.750) 12.218 2.717 ( -3.322 0.408 11.750) 12.218 2.934 ( 1.403 -4.516 -4.230) 6.345 2.934 ( -1.403 -4.516 4.230) 6.345 3.140 ( -6.237 -0.228 -3.525) 7.168 3.140 ( 6.237 -0.228 3.525) 7.168 3.248 ( -1.930 -2.265 0.015) 2.976 3.248 ( 1.930 -2.265 -0.015) 2.976 3.313 ( -1.386 -1.386 -2.597) 3.254 3.313 ( 1.386 -1.386 2.597) 3.254 3.723 ( 1.048 -0.271 -2.708) 2.917 3.723 ( -1.048 -0.271 2.708) 2.917 3.905 ( -2.403 -1.399 -0.562) 2.837 3.905 ( 2.403 -1.399 0.562) 2.837 4.131 ( -5.924 2.300 -0.913) 6.420 4.131 ( 5.924 2.300 0.913) 6.420 4.328 ( -8.085 -0.083 -3.374) 8.761 4.328 ( 8.085 -0.083 3.374) 8.761 4.532 ( -0.874 -3.909 -7.143) 8.190 4.532 ( 0.874 -3.909 7.143) 8.190 5.111 ( 7.663 -0.332 -9.311) 12.064 5.111 ( -7.663 -0.332 9.311) 12.064 5.503 ( -0.216 -3.361 -11.057) 11.559 5.503 ( 0.216 -3.361 11.057) 11.559 5.972 ( 1.025 -0.713 -4.869) 5.026 5.972 ( -1.025 -0.713 4.869) 5.026 7.444 ( -1.350 -0.073 -8.373) 8.481 7.444 ( 1.350 -0.073 8.373) 8.481 7.510 ( -0.796 -1.035 -5.053) 5.219 7.510 ( 0.796 -1.035 5.053) 5.219 7.933 ( -1.815 -0.049 -6.986) 7.218 7.933 ( 1.815 -0.049 6.986) 7.218 8.719 ( -1.930 1.353 -3.845) 4.510 8.719 ( 1.930 1.353 3.845) 4.510 9.404 ( 5.453 1.521 -2.094) 6.036 9.404 ( -5.453 1.521 2.094) 6.036 9.717 ( 2.271 -4.849 -4.173) 6.788 9.717 ( -2.271 -4.849 4.173) 6.788 10.078 ( 9.564 0.656 -13.563) 16.609 10.078 ( -9.564 0.656 13.563) 16.609 10.638 ( 2.626 0.714 -7.665) 8.134 10.638 ( -2.626 0.714 7.665) 8.134 11.447 ( 3.856 -5.040 -8.849) 10.889 11.447 ( -3.856 -5.040 8.849) 10.889 13.328 ( 1.257 2.353 -4.138) 4.923 13.328 ( -1.257 2.353 4.138) 4.923 19.734 ( 1.499 3.710 -3.340) 5.212 19.734 ( -1.499 3.710 3.340) 5.212 20.219 ( -0.715 6.734 -11.495) 13.341 20.219 ( 0.715 6.734 11.495) 13.341 22.202 ( -24.395 -3.404 2.276) 24.736 22.202 ( 24.395 -3.404 -2.276) 24.736 22.624 ( -21.270 -11.247 -6.248) 24.859 22.624 ( 21.270 -11.247 6.248) 24.859 23.691 ( 2.586 3.719 -4.721) 6.542 23.691 ( -2.586 3.719 4.721) 6.542 28.129 ( 0.491 -1.979 -1.012) 2.277 28.129 ( -0.491 -1.979 1.012) 2.277 ======================= Grid point 192 (84/95) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 8.952 -0.000 4.319) 9.940 1.311 ( -0.758 0.000 2.595) 2.704 1.480 ( 6.503 -0.000 -2.183) 6.860 1.632 ( 10.252 -0.000 7.292) 12.580 1.703 ( 0.117 -0.000 1.043) 1.050 1.823 ( 12.430 -0.000 -7.406) 14.469 1.981 ( -4.326 0.000 2.001) 4.767 2.076 ( 0.509 -0.000 -6.949) 6.968 2.163 ( 0.735 -0.000 3.401) 3.480 2.224 ( -2.156 0.000 0.520) 2.218 2.385 ( 4.816 -0.000 1.631) 5.085 2.407 ( 3.474 -0.000 -6.044) 6.971 2.460 ( -1.118 0.000 -4.056) 4.207 2.480 ( -0.476 0.000 2.041) 2.095 2.603 ( -5.372 0.000 6.034) 8.079 2.637 ( -9.390 0.000 0.946) 9.437 2.761 ( -9.421 0.000 -0.173) 9.422 2.818 ( 6.408 -0.000 3.344) 7.228 3.024 ( 6.544 -0.000 -8.678) 10.869 3.055 ( -0.843 0.000 0.252) 0.880 3.116 ( 4.573 -0.000 3.988) 6.068 3.155 ( 7.636 -0.000 -4.778) 9.008 3.218 ( 1.034 -0.000 1.318) 1.675 3.547 ( -5.877 0.000 1.362) 6.032 3.737 ( -3.415 0.000 -1.766) 3.844 3.745 ( 7.198 -0.000 -1.965) 7.462 3.847 ( -1.787 0.000 5.942) 6.205 3.967 ( -0.731 0.000 -1.814) 1.956 4.084 ( 0.948 -0.000 3.801) 3.918 4.100 ( 4.256 -0.000 -1.236) 4.432 4.175 ( -1.178 0.000 -3.900) 4.074 4.242 ( 0.075 -0.000 0.954) 0.957 4.656 ( -1.362 0.000 -4.786) 4.976 4.842 ( -4.087 0.000 6.230) 7.451 5.525 ( 2.078 -0.000 5.169) 5.571 5.606 ( -7.153 0.000 -2.952) 7.738 6.119 ( 1.518 -0.000 -2.208) 2.680 6.258 ( -6.197 0.000 0.061) 6.197 6.904 ( 22.287 -0.000 0.208) 22.288 7.026 ( 15.279 -0.000 -2.558) 15.492 7.386 ( -0.873 0.000 -0.180) 0.891 7.469 ( -8.712 0.000 1.325) 8.812 7.701 ( 0.927 -0.000 5.567) 5.644 7.922 ( 5.718 -0.000 -4.020) 6.990 7.998 ( -9.887 0.000 -2.680) 10.243 8.037 ( -0.694 0.000 2.561) 2.653 8.215 ( 9.403 -0.000 -12.195) 15.399 8.550 ( -15.983 0.000 11.087) 19.451 9.301 ( 3.690 -0.000 2.060) 4.226 9.613 ( 7.576 -0.000 -6.497) 9.980 10.110 ( -5.868 0.000 12.630) 13.927 10.136 ( 2.697 -0.000 2.354) 3.580 10.479 ( -3.304 0.000 9.518) 10.075 10.489 ( 1.649 -0.000 -6.004) 6.227 10.696 ( 3.641 -0.000 -18.910) 19.258 11.095 ( 4.338 -0.000 -2.899) 5.218 11.495 ( 3.657 -0.000 11.464) 12.033 11.530 ( -6.921 0.000 -2.646) 7.410 13.424 ( -1.584 0.000 -4.541) 4.810 13.472 ( 4.096 -0.000 3.808) 5.592 19.803 ( -0.261 0.000 -2.052) 2.068 19.817 ( 4.522 -0.000 1.791) 4.863 20.131 ( 4.668 -0.000 8.483) 9.682 20.280 ( 11.118 -0.000 -9.457) 14.596 20.656 ( -0.907 0.000 -2.358) 2.526 21.138 ( 0.302 -0.000 6.725) 6.732 21.550 ( -16.165 0.000 -9.195) 18.597 21.871 ( -12.679 0.000 5.979) 14.018 25.796 ( 6.167 -0.000 -0.820) 6.221 25.888 ( 9.238 -0.000 1.141) 9.308 27.599 ( -8.008 0.000 2.150) 8.292 27.641 ( -2.202 0.000 -2.267) 3.160 ======================= Grid point 193 (85/95) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 0.240 3.694 -2.083) 4.247 1.382 ( 1.127 -3.120 1.603) 3.684 1.536 ( 2.712 2.842 3.742) 5.425 1.662 ( 2.535 3.907 0.107) 4.658 1.858 ( 8.288 -1.330 8.396) 11.872 1.901 ( -3.343 -1.623 0.230) 3.723 2.017 ( 7.101 0.863 -3.567) 7.994 2.090 ( -1.353 -1.622 -5.330) 5.734 2.179 ( 0.287 3.591 1.961) 4.102 2.248 ( 4.529 -3.962 0.111) 6.018 2.376 ( -2.302 3.740 -1.042) 4.514 2.407 ( -3.645 1.677 -4.719) 6.194 2.455 ( -1.930 0.092 -3.110) 3.661 2.489 ( 1.088 -1.104 1.789) 2.366 2.519 ( -1.561 -3.700 -0.259) 4.024 2.567 ( 2.219 -1.285 5.462) 6.034 2.696 ( 0.496 -2.801 2.010) 3.484 2.900 ( 0.844 -1.487 2.464) 2.999 2.987 ( -3.399 1.265 0.238) 3.634 3.101 ( 1.521 -0.351 -5.254) 5.481 3.192 ( 3.058 4.382 -3.264) 6.261 3.247 ( 3.743 0.099 -4.236) 5.654 3.314 ( 6.705 -3.096 2.693) 7.861 3.459 ( -1.215 1.109 3.192) 3.591 3.660 ( -2.762 5.520 -0.254) 6.177 3.747 ( -4.017 2.132 0.728) 4.606 3.910 ( 3.564 -1.143 0.834) 3.835 3.950 ( -1.123 -2.281 -0.490) 2.590 4.091 ( -5.707 0.597 -4.992) 7.606 4.119 ( 2.743 2.123 -0.705) 3.539 4.182 ( -6.205 0.843 4.299) 7.595 4.203 ( 4.099 -2.878 0.720) 5.060 4.642 ( -1.030 -2.060 -3.434) 4.134 4.751 ( -5.082 -0.735 3.910) 6.454 5.440 ( -10.609 -1.132 -3.850) 11.343 5.509 ( -4.596 -1.091 4.871) 6.785 6.089 ( -2.842 4.907 -0.756) 5.721 6.189 ( -4.078 -5.535 0.605) 6.902 7.013 ( -14.754 1.309 -2.222) 14.978 7.082 ( -8.289 0.116 2.300) 8.603 7.333 ( -4.470 0.265 3.094) 5.443 7.353 ( -0.319 0.063 -0.114) 0.344 7.747 ( -7.533 0.894 -8.683) 11.529 7.911 ( 11.668 -0.397 -0.343) 11.680 7.946 ( -3.290 1.438 2.083) 4.151 8.003 ( 0.093 -2.832 -0.633) 2.904 8.330 ( -7.256 -0.452 11.313) 13.447 8.504 ( 18.256 -1.314 -9.607) 20.671 9.331 ( 0.509 2.569 -1.048) 2.821 9.742 ( 5.224 -1.290 -0.304) 5.389 9.984 ( -6.662 3.243 12.639) 14.651 10.100 ( -5.352 1.795 -4.974) 7.523 10.390 ( -7.680 -2.768 9.617) 12.615 10.434 ( -5.983 -3.004 -5.047) 8.384 10.782 ( 4.025 0.854 -15.328) 15.871 11.140 ( 1.008 1.792 1.567) 2.585 11.352 ( -10.929 -0.147 -1.272) 11.004 11.516 ( -3.450 -2.226 7.284) 8.361 13.379 ( -3.173 -0.655 -3.501) 4.770 13.530 ( 2.185 0.483 2.477) 3.338 19.810 ( 1.627 0.991 -1.304) 2.308 19.911 ( 4.833 -1.189 0.136) 4.979 20.225 ( 7.452 5.274 7.864) 12.049 20.487 ( 11.358 3.172 -9.903) 15.399 20.716 ( 5.995 -4.742 2.619) 8.080 21.234 ( 7.050 -4.437 5.529) 9.998 21.320 ( -7.069 -0.264 -7.408) 10.243 21.696 ( -5.020 2.637 2.577) 6.228 25.726 ( -14.053 -1.102 -0.895) 14.124 25.850 ( -13.309 0.281 1.085) 13.356 27.557 ( 3.418 -0.241 1.423) 3.710 27.667 ( 5.200 0.158 -1.672) 5.465 ======================= Grid point 194 (86/95) ======================= q-point: (-0.56 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -1.921 4.435 -1.966) 5.218 1.420 ( 3.205 -0.317 1.658) 3.623 1.567 ( 3.412 3.664 3.380) 6.041 1.703 ( 6.030 3.991 0.406) 7.242 1.860 ( -3.453 0.601 -0.757) 3.586 1.960 ( -1.583 -0.434 -0.912) 1.878 1.985 ( -5.408 10.582 3.091) 12.279 2.044 ( 2.055 0.318 -3.394) 3.980 2.180 ( 2.175 0.121 3.753) 4.340 2.290 ( -3.155 2.274 -1.003) 4.016 2.345 ( 2.742 -3.611 -0.416) 4.553 2.411 ( 1.385 1.619 -2.508) 3.291 2.466 ( -0.107 -7.375 -0.655) 7.405 2.538 ( 0.366 -1.604 -4.704) 4.983 2.576 ( 0.327 1.174 4.811) 4.963 2.592 ( 4.298 -6.076 1.639) 7.621 2.763 ( 1.796 -3.862 2.868) 5.135 2.853 ( -6.220 -1.765 0.875) 6.524 2.984 ( 3.237 4.213 -1.904) 5.644 3.093 ( 2.055 3.312 -2.092) 4.424 3.167 ( -0.689 2.087 -1.918) 2.917 3.265 ( -0.288 4.822 -3.286) 5.842 3.461 ( 3.074 -2.812 -0.220) 4.172 3.501 ( 1.311 0.769 -0.539) 1.612 3.512 ( -3.578 7.381 3.512) 8.923 3.617 ( -2.259 5.305 2.193) 6.168 3.925 ( -1.411 -1.690 1.353) 2.585 3.952 ( -6.708 -3.268 -6.450) 9.863 3.994 ( -1.759 -0.991 2.241) 3.016 4.036 ( -3.797 -0.543 2.540) 4.600 4.179 ( 3.344 1.713 -0.311) 3.770 4.292 ( 2.872 -1.885 -0.127) 3.438 4.640 ( -2.435 -3.726 -3.115) 5.433 4.696 ( -3.269 -1.367 1.762) 3.957 5.258 ( -11.749 -4.411 -5.983) 13.903 5.401 ( -9.326 -3.814 5.933) 11.693 5.948 ( -9.757 1.487 0.830) 9.905 6.148 ( -7.412 -4.889 3.784) 9.652 6.620 ( -25.107 2.545 -2.612) 25.370 6.790 ( -18.487 2.317 -0.826) 18.650 7.168 ( -10.469 -2.454 3.843) 11.418 7.279 ( -7.121 -0.778 -0.696) 7.197 7.692 ( -1.455 -1.770 -4.202) 4.786 7.864 ( -2.455 3.409 -0.510) 4.232 7.963 ( -0.894 0.407 3.629) 3.759 8.193 ( 3.278 -5.511 0.382) 6.424 8.330 ( 10.359 0.689 -2.674) 10.721 8.808 ( 12.179 -0.731 0.231) 12.203 9.297 ( 0.434 2.618 -6.975) 7.463 9.764 ( -11.749 7.739 2.203) 14.240 9.780 ( -1.550 1.764 9.744) 10.023 10.022 ( -3.078 -3.013 -8.415) 9.453 10.264 ( -10.670 -5.863 7.127) 14.107 10.359 ( -6.395 -4.629 3.317) 8.563 10.782 ( -1.693 2.084 -11.667) 11.972 11.032 ( -8.700 5.000 3.965) 10.790 11.230 ( -4.585 -4.276 -3.396) 7.130 11.443 ( -7.010 -3.894 5.153) 9.532 13.330 ( -2.818 -1.116 -1.427) 3.350 13.540 ( -0.214 1.173 0.556) 1.316 19.835 ( 3.002 2.964 -0.657) 4.270 19.995 ( 3.497 0.603 -1.043) 3.698 20.299 ( 7.381 8.007 7.305) 13.114 20.577 ( 5.383 7.907 -9.066) 13.179 20.936 ( 12.339 -2.014 3.224) 12.912 21.304 ( 5.353 -5.507 2.992) 8.242 21.514 ( 13.807 -9.340 -2.705) 16.887 21.663 ( 5.009 2.596 0.180) 5.645 25.343 ( -28.949 -2.676 -1.432) 29.107 25.451 ( -29.350 -0.929 1.549) 29.405 27.688 ( 9.206 -0.328 0.273) 9.215 27.801 ( 8.803 -0.095 -0.624) 8.826 ======================= Grid point 195 (87/95) ======================= q-point: (-0.44 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 1.859 6.917 3.357) 7.910 1.498 ( 4.013 4.180 -2.001) 6.130 1.552 ( -0.784 6.766 1.877) 7.065 1.664 ( -9.208 9.791 -1.848) 13.567 1.799 ( 7.252 7.809 0.508) 10.669 1.848 ( -0.240 2.948 1.269) 3.218 1.912 ( -1.028 0.319 -2.002) 2.273 2.090 ( -1.457 -3.670 -3.328) 5.164 2.130 ( -5.854 0.225 1.555) 6.061 2.230 ( -1.828 0.697 2.077) 2.853 2.388 ( -2.078 1.078 -3.497) 4.208 2.404 ( -2.335 3.861 3.230) 5.550 2.492 ( 3.664 -5.167 0.017) 6.334 2.544 ( -0.514 -2.094 -3.182) 3.844 2.655 ( 1.221 -2.940 -0.527) 3.227 2.701 ( -3.715 4.907 -3.188) 6.931 2.744 ( 2.871 -4.905 4.171) 7.050 2.838 ( 1.286 -4.569 3.867) 6.122 2.995 ( 2.870 4.983 -0.744) 5.798 3.077 ( 0.076 4.307 -2.656) 5.061 3.137 ( -3.190 10.285 -2.782) 11.122 3.176 ( 2.831 0.679 3.014) 4.191 3.313 ( -1.107 10.501 4.538) 11.493 3.412 ( -4.307 -0.100 -1.477) 4.554 3.623 ( 5.177 -5.733 -1.140) 7.808 3.673 ( 1.808 -3.426 0.165) 3.877 3.870 ( -4.414 -3.679 -1.984) 6.079 3.894 ( -5.288 -3.948 0.339) 6.608 3.989 ( 3.561 0.447 2.111) 4.164 4.069 ( 2.564 -1.175 0.861) 2.949 4.209 ( 2.504 2.032 -1.890) 3.738 4.344 ( 1.862 -0.451 -1.517) 2.444 4.594 ( -8.413 -4.414 -3.280) 10.051 4.610 ( -7.213 -0.757 2.283) 7.603 5.111 ( -8.354 -4.670 -6.566) 11.606 5.295 ( -8.106 -8.750 7.205) 13.935 5.695 ( -18.331 -3.377 -0.702) 18.653 5.956 ( -19.765 1.667 5.775) 20.659 6.152 ( -20.233 -3.603 0.237) 20.553 6.449 ( -15.748 3.003 0.007) 16.032 7.098 ( -0.834 -5.061 -4.484) 6.813 7.228 ( 2.171 0.255 2.468) 3.297 7.673 ( -3.535 -4.426 1.731) 5.923 7.762 ( -5.597 2.826 -0.898) 6.334 7.867 ( -7.731 1.684 0.744) 7.948 8.249 ( -2.785 -5.582 -3.152) 6.989 8.545 ( 11.120 1.159 -4.043) 11.889 8.895 ( -1.408 1.308 5.053) 5.406 9.347 ( 6.102 1.582 -9.800) 11.653 9.494 ( -8.450 4.780 0.710) 9.734 9.714 ( -2.507 2.914 8.094) 8.960 9.949 ( -7.255 0.377 -5.887) 9.351 10.126 ( -10.753 -5.900 5.321) 13.370 10.314 ( -4.617 -6.618 6.726) 10.505 10.699 ( -5.062 -0.527 -5.241) 7.305 10.835 ( -6.560 6.082 0.373) 8.953 11.203 ( -2.834 -4.881 -6.328) 8.479 11.369 ( -6.136 -5.476 5.877) 10.108 13.306 ( -0.691 -0.917 0.657) 1.323 13.504 ( -2.149 1.600 -1.297) 2.977 19.854 ( 3.264 5.352 -0.469) 6.286 20.009 ( 0.509 4.163 -1.103) 4.337 20.352 ( 6.392 8.064 7.846) 12.940 20.549 ( 1.515 9.198 -9.398) 13.238 21.213 ( 19.631 2.119 5.185) 20.415 21.542 ( 11.335 -8.434 0.107) 14.129 21.829 ( 15.685 -1.041 3.294) 16.061 21.911 ( 16.166 -11.950 -5.015) 20.720 24.771 ( -36.336 -3.605 -1.016) 36.529 24.855 ( -37.329 -2.051 0.958) 37.397 27.858 ( 8.753 -0.076 -1.086) 8.821 27.960 ( 7.604 -0.933 0.541) 7.680 ======================= Grid point 196 (88/95) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -0.149 9.981 6.071) 11.684 1.352 ( -13.009 9.762 -2.649) 16.479 1.383 ( -5.876 13.080 9.946) 17.451 1.394 ( -4.661 13.092 -12.883) 18.950 1.845 ( 5.951 7.156 2.301) 9.587 1.917 ( 3.116 -0.129 -4.314) 5.323 1.958 ( 7.870 0.928 4.394) 9.061 2.026 ( -0.980 2.236 -3.138) 3.976 2.114 ( -2.456 -4.630 -2.034) 5.622 2.224 ( -0.295 3.737 2.752) 4.651 2.279 ( -4.013 1.894 -0.988) 4.546 2.310 ( -2.817 3.757 0.631) 4.738 2.431 ( -3.476 9.380 -5.773) 11.550 2.485 ( -4.343 7.454 4.923) 9.932 2.706 ( 3.603 -4.603 -1.836) 6.127 2.733 ( 4.557 -3.847 -2.104) 6.324 2.791 ( 0.526 1.750 0.043) 1.828 2.879 ( -1.844 4.213 4.791) 6.641 3.021 ( 3.415 -5.302 -2.215) 6.685 3.069 ( 2.959 3.668 2.028) 5.131 3.090 ( 1.935 -3.796 -0.051) 4.261 3.224 ( 0.586 -0.745 2.359) 2.542 3.268 ( 1.738 4.059 0.401) 4.434 3.371 ( -0.505 0.072 -1.853) 1.922 3.686 ( -1.149 -2.489 -2.238) 3.539 3.711 ( -2.345 -3.498 2.399) 4.847 3.841 ( -3.106 -3.480 -1.603) 4.932 3.876 ( -1.067 -4.850 -0.785) 5.027 4.070 ( 4.198 -0.541 2.871) 5.115 4.133 ( 3.713 -1.032 1.501) 4.136 4.272 ( 4.523 -3.112 -4.667) 7.206 4.374 ( -0.004 -0.745 -0.895) 1.165 4.400 ( -10.605 1.371 5.208) 11.894 4.506 ( -5.718 -2.984 -5.455) 8.447 5.047 ( -2.372 -2.477 -6.939) 7.740 5.264 ( -7.634 -9.070 8.818) 14.775 5.409 ( -15.951 -5.257 -2.976) 17.057 5.538 ( -17.957 -2.098 7.979) 19.762 5.975 ( -5.886 -2.653 -3.491) 7.340 6.163 ( -12.720 2.755 3.163) 13.393 7.204 ( 5.780 -6.274 -9.352) 12.659 7.321 ( 5.805 -0.192 5.021) 7.677 7.590 ( -7.485 0.134 5.033) 9.021 7.680 ( -5.456 1.464 -2.176) 6.054 7.745 ( 0.526 -3.882 2.547) 4.672 8.143 ( -12.518 -2.394 -8.583) 15.365 8.685 ( 5.330 0.666 3.317) 6.314 8.817 ( -4.018 1.667 0.913) 4.444 9.365 ( 2.770 3.486 -3.799) 5.853 9.462 ( 1.270 -0.807 -1.882) 2.409 9.657 ( -1.520 1.698 2.719) 3.547 9.785 ( -8.209 1.236 0.652) 8.327 10.029 ( -2.607 -2.325 -0.206) 3.499 10.266 ( -7.897 -3.178 6.251) 10.561 10.637 ( -1.859 -0.452 -4.643) 5.022 10.696 ( -3.540 2.973 3.147) 5.592 11.230 ( 0.664 -5.923 -9.482) 11.200 11.329 ( -4.888 -6.862 7.844) 11.511 13.323 ( 1.868 -0.001 1.585) 2.449 13.438 ( -3.204 1.597 -2.073) 4.137 19.851 ( 2.884 6.827 -0.693) 7.443 19.942 ( -1.803 6.689 -0.051) 6.928 20.380 ( 4.491 7.914 8.633) 12.544 20.469 ( -0.171 9.032 -9.415) 13.048 21.620 ( 24.563 -1.579 3.186) 24.820 21.865 ( 13.282 -12.309 0.505) 18.116 22.147 ( 16.090 -2.006 3.687) 16.629 22.309 ( 13.852 -11.080 -5.030) 18.438 24.142 ( -34.217 -2.211 1.008) 34.303 24.178 ( -36.680 -0.388 -1.413) 36.710 27.997 ( 6.508 -0.211 -2.534) 6.988 28.075 ( 3.159 -1.812 1.746) 4.039 ======================= Grid point 197 (89/95) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -1.837 11.082 -12.718) 16.969 1.041 ( 1.837 11.082 12.718) 16.969 1.209 ( -0.196 14.674 -14.425) 20.578 1.209 ( 0.196 14.674 14.425) 20.578 1.871 ( -3.606 10.584 -7.015) 13.200 1.871 ( 3.606 10.584 7.015) 13.200 2.007 ( 1.128 -0.871 -8.549) 8.667 2.007 ( -1.128 -0.871 8.549) 8.667 2.092 ( -1.774 8.915 -7.148) 11.563 2.092 ( 1.774 8.915 7.148) 11.563 2.306 ( -4.252 2.808 -7.626) 9.171 2.306 ( 4.252 2.808 7.626) 9.171 2.349 ( -1.077 -1.472 -2.800) 3.342 2.349 ( 1.077 -1.472 2.800) 3.342 2.756 ( 3.004 3.306 -8.152) 9.296 2.756 ( -3.004 3.306 8.152) 9.296 2.837 ( 1.537 -5.197 -3.951) 6.706 2.837 ( -1.537 -5.197 3.951) 6.706 3.136 ( -3.894 -1.066 -3.116) 5.100 3.136 ( 3.894 -1.066 3.116) 5.100 3.158 ( 2.218 -5.301 -3.587) 6.774 3.158 ( -2.218 -5.301 3.587) 6.774 3.323 ( -2.290 1.652 -3.430) 4.442 3.323 ( 2.290 1.652 3.430) 4.442 3.696 ( 0.768 -2.041 -4.218) 4.748 3.696 ( -0.768 -2.041 4.218) 4.748 3.867 ( -1.925 -2.919 -0.857) 3.600 3.867 ( 1.925 -2.919 0.857) 3.600 4.158 ( 0.341 0.218 -0.701) 0.810 4.158 ( -0.341 0.218 0.701) 0.810 4.300 ( -2.594 -3.353 -5.253) 6.750 4.300 ( 2.594 -3.353 5.253) 6.750 4.463 ( -3.905 -2.270 -3.864) 5.944 4.463 ( 3.905 -2.270 3.864) 5.944 5.094 ( 7.967 -1.580 -8.218) 11.554 5.094 ( -7.967 -1.580 8.218) 11.554 5.403 ( 1.373 -7.032 -11.639) 13.668 5.403 ( -1.373 -7.032 11.639) 13.668 5.972 ( 3.641 0.843 -5.484) 6.636 5.972 ( -3.641 0.843 5.484) 6.636 7.364 ( 4.331 -5.542 -7.627) 10.375 7.364 ( -4.331 -5.542 7.627) 10.375 7.549 ( -3.751 2.803 -5.996) 7.607 7.549 ( 3.751 2.803 5.996) 7.607 7.913 ( -9.604 -2.318 -8.153) 12.809 7.913 ( 9.604 -2.318 8.153) 12.809 8.744 ( -1.565 1.195 -4.207) 4.645 8.744 ( 1.565 1.195 4.207) 4.645 9.425 ( 4.741 0.787 -3.842) 6.153 9.425 ( -4.741 0.787 3.842) 6.153 9.666 ( 3.722 -0.326 -5.134) 6.349 9.666 ( -3.722 -0.326 5.134) 6.349 10.100 ( 3.429 1.089 -13.993) 14.448 10.100 ( -3.429 1.089 13.993) 14.448 10.641 ( 2.115 -0.033 -7.665) 7.951 10.641 ( -2.115 -0.033 7.665) 7.951 11.327 ( 3.302 -7.130 -9.484) 12.316 11.327 ( -3.302 -7.130 9.484) 12.316 13.365 ( -0.900 1.355 -5.030) 5.286 13.365 ( 0.900 1.355 5.030) 5.286 19.835 ( 0.322 6.744 -2.047) 7.055 19.835 ( -0.322 6.744 2.047) 7.055 20.366 ( -1.247 8.287 -12.941) 15.417 20.366 ( 1.247 8.287 12.941) 15.417 22.060 ( 4.910 -12.025 -8.052) 15.283 22.060 ( -4.910 -12.025 8.052) 15.283 22.454 ( -11.227 -5.420 -0.492) 12.477 22.454 ( 11.227 -5.420 0.492) 12.477 23.749 ( 0.605 2.302 -5.393) 5.895 23.749 ( -0.605 2.302 5.393) 5.895 28.094 ( 2.554 -1.594 -2.943) 4.210 28.094 ( -2.554 -1.594 2.943) 4.210 ======================= Grid point 203 (90/95) ======================= q-point: (-0.67 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -1.213 0.000 -2.901) 3.144 1.396 ( 3.249 -0.000 2.075) 3.855 1.623 ( 3.814 -0.000 1.538) 4.112 1.733 ( 2.120 -0.000 -0.602) 2.203 1.891 ( 3.848 -0.000 2.104) 4.386 1.940 ( -0.085 0.000 4.463) 4.464 2.059 ( 0.251 -0.000 -4.907) 4.914 2.103 ( -0.796 0.000 2.574) 2.694 2.204 ( -0.012 0.000 3.802) 3.802 2.268 ( -4.915 0.000 -5.369) 7.279 2.306 ( 2.909 -0.000 -0.875) 3.037 2.368 ( -2.165 0.000 -1.052) 2.407 2.466 ( 1.729 -0.000 -4.761) 5.065 2.474 ( 0.562 -0.000 5.586) 5.614 2.537 ( 3.307 -0.000 -3.977) 5.172 2.606 ( -0.464 0.000 6.325) 6.342 2.732 ( 2.588 -0.000 2.544) 3.629 2.825 ( -4.506 0.000 0.287) 4.516 3.052 ( 7.145 -0.000 -1.635) 7.330 3.094 ( -0.945 0.000 -0.421) 1.035 3.212 ( -2.609 0.000 -2.842) 3.858 3.300 ( 2.503 -0.000 -4.704) 5.328 3.401 ( 5.038 -0.000 -2.569) 5.656 3.489 ( 2.499 -0.000 3.427) 4.241 3.669 ( -1.001 0.000 -1.289) 1.632 3.680 ( -3.818 0.000 4.102) 5.604 3.889 ( -5.349 0.000 4.825) 7.204 3.904 ( -9.280 0.000 -10.214) 13.800 3.979 ( 1.474 -0.000 1.630) 2.197 4.031 ( -6.874 0.000 4.823) 8.398 4.218 ( 4.350 -0.000 -0.106) 4.352 4.256 ( 3.372 -0.000 -0.610) 3.426 4.601 ( -2.986 0.000 -2.658) 3.998 4.681 ( -2.465 0.000 1.436) 2.853 5.209 ( -12.837 0.000 -6.767) 14.511 5.366 ( -10.703 0.000 6.707) 12.631 5.970 ( -13.095 0.000 2.506) 13.333 6.094 ( -4.636 0.000 1.697) 4.937 6.645 ( -25.859 0.000 -2.238) 25.955 6.815 ( -17.594 0.000 -0.757) 17.611 7.143 ( -12.486 0.000 3.952) 13.097 7.271 ( -6.597 0.000 -0.727) 6.637 7.674 ( -1.771 0.000 -5.472) 5.752 7.912 ( -3.542 0.000 -3.504) 4.983 7.960 ( 1.008 -0.000 6.257) 6.338 8.128 ( 1.682 -0.000 3.116) 3.541 8.338 ( 11.308 -0.000 -4.747) 12.264 8.799 ( 13.091 -0.000 0.298) 13.094 9.324 ( -1.066 0.000 -6.149) 6.240 9.798 ( -1.609 0.000 11.036) 11.152 9.912 ( -4.285 0.000 12.331) 13.054 9.925 ( -9.972 0.000 -16.180) 19.006 10.198 ( -10.856 0.000 7.589) 13.245 10.317 ( -5.899 0.000 -2.630) 6.459 10.802 ( -2.511 0.000 -11.030) 11.312 11.130 ( -10.198 0.000 -2.751) 10.562 11.140 ( -3.501 0.000 4.638) 5.811 11.404 ( -6.990 0.000 4.793) 8.476 13.319 ( -2.702 0.000 -0.836) 2.828 13.552 ( -0.149 0.000 -0.051) 0.158 19.868 ( 3.879 -0.000 -0.277) 3.889 19.998 ( 4.961 -0.000 -1.526) 5.191 20.396 ( 7.119 -0.000 8.094) 10.779 20.662 ( 5.215 -0.000 -6.771) 8.547 20.889 ( 15.644 -0.000 -1.722) 15.739 21.253 ( 1.371 -0.000 1.759) 2.230 21.414 ( 14.545 -0.000 1.149) 14.590 21.695 ( 3.889 -0.000 -0.495) 3.920 25.317 ( -29.120 0.000 -1.492) 29.158 25.442 ( -29.957 0.000 1.661) 30.003 27.685 ( 9.371 -0.000 0.075) 9.371 27.800 ( 8.499 -0.000 -0.426) 8.510 ======================= Grid point 205 (91/95) ======================= q-point: (-0.56 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 6.504 5.516 1.297) 8.626 1.515 ( 8.300 -1.767 1.632) 8.642 1.634 ( -0.816 2.076 -1.224) 2.545 1.744 ( -1.047 1.038 -2.225) 2.669 1.868 ( -6.828 0.474 -3.408) 7.646 1.942 ( -1.287 5.084 -0.774) 5.302 2.040 ( -1.564 1.369 -5.355) 5.745 2.049 ( 4.004 7.842 6.104) 10.714 2.127 ( -9.886 -0.155 5.771) 11.448 2.253 ( 0.510 -0.997 0.644) 1.292 2.334 ( 1.249 -4.329 1.360) 4.707 2.377 ( -0.393 -5.039 -1.756) 5.351 2.466 ( 0.763 1.546 -7.677) 7.869 2.517 ( 1.464 -1.512 -0.809) 2.254 2.587 ( 0.626 -0.507 3.193) 3.293 2.630 ( 4.088 -4.694 3.784) 7.284 2.766 ( -2.219 1.896 -1.948) 3.510 2.788 ( 3.646 -1.606 5.581) 6.857 3.085 ( 0.294 3.503 0.036) 3.516 3.167 ( 2.671 2.793 -1.055) 4.006 3.173 ( 1.788 -0.091 0.545) 1.871 3.305 ( 0.529 4.576 -3.872) 6.017 3.445 ( -1.858 3.106 -5.771) 6.813 3.524 ( 0.537 0.127 2.390) 2.453 3.549 ( -2.342 7.856 2.258) 8.503 3.635 ( -1.162 0.272 0.752) 1.411 3.780 ( -6.263 -5.700 1.703) 8.638 3.785 ( -6.243 -6.624 -2.054) 9.331 4.009 ( 3.276 1.554 2.002) 4.142 4.041 ( 2.909 -1.688 1.394) 3.641 4.265 ( 3.174 3.394 -1.739) 4.961 4.326 ( 3.027 -1.491 -2.041) 3.943 4.507 ( -8.791 -3.189 -3.314) 9.922 4.612 ( -7.053 0.069 2.411) 7.454 5.022 ( -7.980 -3.436 -7.917) 11.754 5.174 ( -10.440 -3.472 8.772) 14.071 5.655 ( -20.865 -0.934 0.484) 20.892 5.971 ( -11.978 0.163 3.986) 12.625 6.112 ( -27.559 -0.826 1.927) 27.638 6.501 ( -15.618 1.924 -0.614) 15.748 7.026 ( -1.324 -2.270 -5.483) 6.080 7.229 ( 2.672 -0.083 2.776) 3.854 7.614 ( -5.203 -1.668 0.358) 5.476 7.811 ( -6.438 1.818 -1.306) 6.816 7.891 ( -8.121 0.621 1.527) 8.286 8.153 ( -0.581 -3.340 -0.631) 3.448 8.561 ( 10.650 0.505 -6.071) 12.269 8.908 ( -1.044 0.174 3.918) 4.059 9.359 ( 5.610 0.202 -7.800) 9.610 9.592 ( -11.961 3.831 2.730) 12.853 9.794 ( -2.117 5.839 7.076) 9.415 9.914 ( -3.688 -5.202 -2.685) 6.919 10.036 ( -8.633 -2.984 4.325) 10.106 10.210 ( -6.434 -2.726 1.133) 7.079 10.701 ( -5.855 0.299 -4.763) 7.554 10.956 ( -6.337 6.628 -0.453) 9.181 11.088 ( -4.663 -6.975 -3.283) 9.009 11.304 ( -5.278 -1.500 4.863) 7.332 13.293 ( -0.220 -0.405 2.398) 2.442 13.525 ( -2.299 0.586 -2.802) 3.671 19.935 ( 4.523 2.577 0.717) 5.255 20.064 ( 2.685 1.543 -2.959) 4.283 20.487 ( 5.662 4.975 7.486) 10.623 20.693 ( 1.476 4.999 -5.390) 7.498 21.200 ( 16.489 -2.353 -4.676) 17.301 21.376 ( 8.262 -6.009 6.450) 12.082 21.756 ( 20.256 -3.892 0.342) 20.630 21.848 ( 13.709 1.016 -1.677) 13.848 24.722 ( -35.822 -1.392 -1.553) 35.883 24.829 ( -36.908 -0.686 1.586) 36.948 27.857 ( 8.902 -0.037 -1.214) 8.984 27.948 ( 7.116 -0.331 0.860) 7.176 ======================= Grid point 206 (92/95) ======================= q-point: (-0.44 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 3.287 11.725 6.584) 13.843 1.513 ( -8.321 7.539 -4.464) 12.083 1.593 ( -4.162 6.882 -9.111) 12.153 1.611 ( -5.523 10.189 5.749) 12.937 1.834 ( 5.477 -7.631 1.881) 9.580 1.893 ( 2.442 0.028 -4.631) 5.235 1.968 ( -4.351 -2.271 -3.368) 5.953 2.018 ( -0.517 -6.610 2.677) 7.150 2.112 ( 8.545 10.687 3.976) 14.249 2.263 ( 0.694 4.239 1.804) 4.658 2.360 ( -3.143 2.018 -1.838) 4.163 2.385 ( 0.272 2.280 -0.292) 2.315 2.503 ( 2.736 -4.042 -3.797) 6.184 2.559 ( 0.073 1.632 3.668) 4.016 2.610 ( -2.334 -5.423 -3.969) 7.114 2.677 ( -1.471 -1.266 3.312) 3.839 2.786 ( 5.065 -2.140 -0.516) 5.523 2.899 ( 6.875 0.190 5.426) 8.760 2.996 ( -4.673 1.323 0.051) 4.857 3.126 ( -4.501 3.955 -4.151) 7.289 3.196 ( 3.941 8.788 0.497) 9.644 3.261 ( 1.574 6.431 0.002) 6.620 3.361 ( -1.745 2.695 -0.505) 3.250 3.399 ( -0.609 5.770 1.872) 6.097 3.631 ( 0.959 -5.661 -0.355) 5.753 3.638 ( -0.410 -2.531 -0.429) 2.599 3.754 ( -3.101 -5.151 -4.912) 7.763 3.768 ( -2.233 -6.253 3.221) 7.380 4.063 ( 3.066 0.245 2.528) 3.981 4.110 ( 2.727 -1.392 1.662) 3.484 4.247 ( -2.709 0.857 -6.706) 7.283 4.370 ( 0.887 0.401 1.818) 2.062 4.415 ( -8.670 -0.223 2.823) 9.121 4.442 ( -2.879 -3.228 -3.474) 5.548 4.979 ( -1.527 -4.485 -7.015) 8.465 5.095 ( -5.543 -7.621 8.068) 12.406 5.322 ( -15.275 -3.272 -3.349) 15.976 5.514 ( -25.410 -0.756 9.681) 27.202 5.947 ( -1.264 -0.537 -4.421) 4.629 6.217 ( -13.270 2.612 3.568) 13.987 7.103 ( 5.916 -4.122 -9.554) 11.969 7.321 ( 3.084 0.086 3.641) 4.773 7.554 ( -2.207 -2.979 10.212) 10.864 7.697 ( -1.532 0.734 -0.482) 1.766 7.725 ( -8.215 0.470 -1.808) 8.425 8.083 ( -11.054 -2.968 -10.083) 15.253 8.692 ( 4.930 0.167 3.386) 5.983 8.838 ( -4.587 0.546 -0.948) 4.716 9.431 ( 0.087 2.974 -1.683) 3.418 9.453 ( 1.546 -0.120 -1.336) 2.047 9.708 ( -2.172 4.046 6.629) 8.064 9.822 ( -7.414 1.545 -4.533) 8.826 9.975 ( -0.249 -3.345 3.409) 4.783 10.156 ( -5.864 -7.053 2.609) 9.536 10.640 ( 0.095 1.061 -3.280) 3.448 10.780 ( -6.291 4.789 0.797) 7.947 11.112 ( 0.264 -6.206 -6.906) 9.288 11.232 ( -5.224 -3.246 6.338) 8.832 13.320 ( 2.593 -0.183 4.544) 5.235 13.461 ( -3.700 0.823 -4.686) 6.027 19.974 ( 3.705 5.376 1.048) 6.613 20.055 ( -0.333 4.678 -2.429) 5.281 20.525 ( 4.540 7.032 7.639) 11.332 20.632 ( -0.840 7.797 -6.836) 10.403 21.520 ( 13.620 -7.602 -5.002) 16.381 21.615 ( 6.796 -12.174 7.184) 15.684 22.143 ( 19.019 0.301 -0.996) 19.048 22.179 ( 19.997 -3.061 -0.227) 20.231 24.106 ( -31.331 -1.419 -0.601) 31.369 24.174 ( -33.731 -0.085 0.441) 33.734 27.993 ( 5.972 -0.161 -2.274) 6.393 28.050 ( 3.154 -0.883 1.960) 3.817 ======================= Grid point 207 (93/95) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -2.433 11.793 -11.489) 16.643 1.261 ( 2.433 11.793 11.489) 16.643 1.458 ( -0.180 11.382 -12.566) 16.955 1.458 ( 0.180 11.382 12.566) 16.955 1.917 ( -1.435 -0.959 -5.665) 5.922 1.917 ( 1.435 -0.959 5.665) 5.922 2.084 ( -3.048 -4.785 -4.868) 7.476 2.084 ( 3.048 -4.785 4.868) 7.476 2.150 ( -4.032 6.127 -3.743) 8.235 2.150 ( 4.032 6.127 3.743) 8.235 2.315 ( -2.312 4.734 -1.247) 5.414 2.315 ( 2.312 4.734 1.247) 5.414 2.494 ( 2.188 7.550 -8.102) 11.289 2.494 ( -2.188 7.550 8.102) 11.289 2.685 ( -1.079 -7.566 -1.793) 7.850 2.685 ( 1.079 -7.566 1.793) 7.850 2.874 ( -1.057 3.994 -1.022) 4.256 2.874 ( 1.057 3.994 1.022) 4.256 3.038 ( -2.128 -3.087 -4.144) 5.589 3.038 ( 2.128 -3.087 4.144) 5.589 3.184 ( -3.294 5.006 -3.325) 6.853 3.184 ( 3.294 5.006 3.325) 6.853 3.357 ( -2.076 1.750 -3.509) 4.437 3.357 ( 2.076 1.750 3.509) 4.437 3.659 ( 0.585 -2.050 -2.744) 3.475 3.659 ( -0.585 -2.050 2.744) 3.475 3.788 ( 1.123 -5.284 -2.581) 5.987 3.788 ( -1.123 -5.284 2.581) 5.987 4.134 ( 0.804 -2.360 -6.872) 7.310 4.134 ( -0.804 -2.360 6.872) 7.310 4.245 ( -1.360 -1.211 -2.789) 3.331 4.245 ( 1.360 -1.211 2.789) 3.331 4.442 ( -2.748 -0.682 -4.399) 5.231 4.442 ( 2.748 -0.682 4.399) 5.231 5.044 ( 6.163 -4.087 -7.124) 10.269 5.044 ( -6.163 -4.087 7.124) 10.269 5.267 ( 3.998 -6.183 -9.623) 12.117 5.267 ( -3.998 -6.183 9.623) 12.117 5.999 ( 6.136 1.759 -5.895) 8.689 5.999 ( -6.136 1.759 5.895) 8.689 7.272 ( 7.030 -4.123 -8.301) 11.633 7.272 ( -7.030 -4.123 8.301) 11.633 7.592 ( -4.223 1.694 -6.049) 7.569 7.592 ( 4.223 1.694 6.049) 7.569 7.855 ( -13.440 -3.284 -8.727) 16.358 7.855 ( 13.440 -3.284 8.727) 16.358 8.761 ( -2.743 0.511 -5.428) 6.103 8.761 ( 2.743 0.511 5.428) 6.103 9.443 ( 2.226 1.124 -3.783) 4.531 9.443 ( -2.226 1.124 3.783) 4.531 9.687 ( -2.267 2.287 -5.403) 6.290 9.687 ( 2.267 2.287 5.403) 6.290 10.084 ( -1.048 -3.353 -10.730) 11.291 10.084 ( 1.048 -3.353 10.730) 11.291 10.659 ( 2.976 2.222 -3.120) 4.851 10.659 ( -2.976 2.222 3.120) 4.851 11.199 ( 2.508 -6.006 -9.649) 11.639 11.199 ( -2.508 -6.006 9.649) 11.639 13.382 ( -3.149 0.566 -5.742) 6.573 13.382 ( 3.149 0.566 5.742) 6.573 19.970 ( -2.274 6.983 -0.919) 7.401 19.970 ( 2.274 6.983 0.919) 7.401 20.522 ( -1.786 8.138 -11.343) 14.074 20.522 ( 1.786 8.138 11.343) 14.074 21.794 ( 2.924 -14.668 -9.902) 17.938 21.794 ( -2.924 -14.668 9.902) 17.938 22.399 ( -3.499 -1.340 0.794) 3.830 22.399 ( 3.499 -1.340 -0.794) 3.830 23.780 ( -0.194 1.146 -4.396) 4.547 23.780 ( 0.194 1.146 4.396) 4.547 28.070 ( 1.791 -0.910 -2.892) 3.522 28.070 ( -1.791 -0.910 2.892) 3.522 ======================= Grid point 215 (94/95) ======================= q-point: (-0.56 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 3.288 -0.000 8.451) 9.069 1.606 ( 0.018 -0.000 -0.157) 0.158 1.638 ( 5.816 -0.000 -5.030) 7.689 1.660 ( -10.479 0.000 -4.004) 11.218 1.808 ( -10.384 0.000 -0.447) 10.393 1.830 ( 7.094 -0.000 -5.034) 8.699 1.952 ( -2.762 0.000 -11.056) 11.395 1.965 ( -4.170 0.000 12.231) 12.922 2.272 ( 2.836 -0.000 -3.254) 4.317 2.318 ( 4.022 -0.000 3.571) 5.378 2.341 ( 7.854 -0.000 12.522) 14.782 2.360 ( -0.379 0.000 -6.936) 6.946 2.473 ( 1.672 -0.000 -6.347) 6.564 2.526 ( -1.829 0.000 -1.266) 2.224 2.577 ( -1.784 0.000 6.804) 7.034 2.651 ( -0.192 0.000 0.537) 0.570 2.776 ( 3.344 -0.000 -2.225) 4.017 2.901 ( 8.310 -0.000 6.326) 10.444 3.021 ( -6.856 0.000 -0.323) 6.863 3.151 ( -4.058 0.000 -2.994) 5.043 3.288 ( 6.531 -0.000 -0.698) 6.568 3.357 ( 1.232 -0.000 0.419) 1.301 3.449 ( -3.622 0.000 -5.343) 6.455 3.495 ( 1.390 -0.000 -5.771) 5.936 3.538 ( -6.387 0.000 6.910) 9.409 3.573 ( -1.277 0.000 3.862) 4.068 3.683 ( 0.617 -0.000 2.449) 2.526 3.698 ( -1.559 0.000 -4.697) 4.949 4.079 ( 1.827 -0.000 5.088) 5.406 4.086 ( 3.178 -0.000 -1.666) 3.589 4.275 ( -7.937 0.000 -7.580) 10.975 4.378 ( 2.956 -0.000 4.014) 4.985 4.381 ( 3.398 -0.000 -5.320) 6.312 4.425 ( -11.654 0.000 3.789) 12.255 4.924 ( -1.296 0.000 -7.658) 7.767 5.017 ( -5.671 0.000 8.850) 10.511 5.293 ( -15.450 0.000 -2.898) 15.719 5.507 ( -27.033 0.000 9.552) 28.671 5.944 ( 0.285 -0.000 -4.784) 4.792 6.245 ( -13.746 0.000 3.699) 14.236 7.062 ( 6.140 -0.000 -10.034) 11.764 7.322 ( 1.819 -0.000 3.281) 3.752 7.521 ( 0.123 -0.000 10.940) 10.941 7.708 ( -3.602 0.000 -0.418) 3.627 7.728 ( -8.428 0.000 -1.319) 8.531 8.053 ( -10.040 0.000 -10.448) 14.490 8.693 ( 4.554 -0.000 3.422) 5.696 8.842 ( -4.567 0.000 -2.109) 5.030 9.447 ( 2.986 -0.000 -1.404) 3.300 9.467 ( -2.901 0.000 1.590) 3.308 9.793 ( -3.942 0.000 2.642) 4.745 9.807 ( -3.086 0.000 1.052) 3.260 9.932 ( -1.018 0.000 1.081) 1.485 10.075 ( -6.486 0.000 -0.313) 6.494 10.656 ( 1.142 -0.000 -2.985) 3.196 10.837 ( -8.491 0.000 3.516) 9.190 11.039 ( 2.276 -0.000 -8.705) 8.998 11.203 ( -5.770 0.000 6.205) 8.473 13.318 ( 2.877 -0.000 5.640) 6.331 13.469 ( -3.897 0.000 -5.630) 6.848 20.028 ( 3.905 -0.000 2.226) 4.495 20.101 ( 0.394 -0.000 -3.979) 3.998 20.604 ( 4.504 -0.000 7.262) 8.545 20.719 ( -1.090 0.000 -5.198) 5.311 21.427 ( 10.142 -0.000 -9.975) 14.225 21.483 ( 5.761 -0.000 10.255) 11.762 22.144 ( 21.947 -0.000 1.113) 21.975 22.159 ( 18.637 -0.000 -1.464) 18.695 24.092 ( -30.221 0.000 -0.861) 30.233 24.174 ( -32.810 0.000 0.795) 32.820 27.991 ( 5.801 -0.000 -2.223) 6.213 28.041 ( 3.168 -0.000 2.013) 3.753 ======================= Grid point 217 (95/95) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -2.111 6.989 -8.129) 10.926 1.453 ( 2.111 6.989 8.129) 10.926 1.622 ( 1.171 5.667 -4.992) 7.642 1.622 ( -1.171 5.667 4.992) 7.642 1.882 ( -3.798 -4.759 -3.973) 7.270 1.882 ( 3.798 -4.759 3.973) 7.270 1.955 ( -0.396 -2.400 -9.556) 9.861 1.955 ( 0.396 -2.400 9.556) 9.861 2.290 ( 1.182 5.067 -4.616) 6.956 2.290 ( -1.182 5.067 4.616) 6.956 2.373 ( 3.853 1.081 -4.027) 5.677 2.373 ( -3.853 1.081 4.027) 5.677 2.529 ( 2.445 -2.270 -4.944) 5.964 2.529 ( -2.445 -2.270 4.944) 5.964 2.597 ( -4.276 -1.344 -1.694) 4.791 2.597 ( 4.276 -1.344 1.694) 4.791 2.885 ( -5.889 -0.371 -0.453) 5.918 2.885 ( 5.889 -0.371 0.453) 5.918 3.043 ( -6.820 0.972 -4.958) 8.488 3.043 ( 6.820 0.972 4.958) 8.488 3.330 ( -1.856 6.400 -3.634) 7.590 3.330 ( 1.856 6.400 3.634) 7.590 3.401 ( -1.510 5.005 -1.265) 5.379 3.401 ( 1.510 5.005 1.265) 5.379 3.584 ( 0.671 -6.957 -3.418) 7.780 3.584 ( -0.671 -6.957 3.418) 7.780 3.704 ( 0.620 -2.235 -3.303) 4.035 3.704 ( -0.620 -2.235 3.303) 4.035 4.101 ( -0.821 -0.797 -8.445) 8.522 4.101 ( 0.821 -0.797 8.445) 8.522 4.245 ( -4.645 0.448 -0.247) 4.673 4.245 ( 4.645 0.448 0.247) 4.673 4.430 ( -0.608 -0.453 -4.355) 4.421 4.430 ( 0.608 -0.453 4.355) 4.421 4.956 ( 3.450 -3.667 -7.338) 8.899 4.956 ( -3.450 -3.667 7.338) 8.899 5.197 ( 6.017 -1.513 -7.689) 9.880 5.197 ( -6.017 -1.513 7.689) 9.880 6.028 ( 8.697 0.951 -6.145) 10.691 6.028 ( -8.697 0.951 6.145) 10.691 7.215 ( 9.257 -1.685 -8.579) 12.734 7.215 ( -9.257 -1.685 8.579) 12.734 7.613 ( -4.348 0.555 -5.385) 6.944 7.613 ( 4.348 0.555 5.385) 6.944 7.808 ( -14.108 -1.328 -9.077) 16.828 7.808 ( 14.108 -1.328 9.077) 16.828 8.765 ( -3.617 0.058 -6.613) 7.538 8.765 ( 3.617 0.058 6.613) 7.538 9.460 ( 0.796 0.518 -2.563) 2.733 9.460 ( -0.796 0.518 2.563) 2.733 9.744 ( -1.816 2.940 -5.886) 6.825 9.744 ( 1.816 2.940 5.886) 6.825 9.996 ( -2.318 -4.358 -5.182) 7.157 9.996 ( 2.318 -4.358 5.182) 7.157 10.707 ( 3.288 1.984 -2.715) 4.703 10.707 ( -3.288 1.984 2.715) 4.703 11.115 ( 3.963 -2.549 -7.944) 9.237 11.115 ( -3.963 -2.549 7.944) 9.237 13.389 ( -4.224 0.179 -6.629) 7.862 13.389 ( 4.224 0.179 6.629) 7.862 20.070 ( -2.098 2.971 -2.958) 4.688 20.070 ( 2.098 2.971 2.958) 4.688 20.654 ( -2.757 4.731 -7.487) 9.276 20.654 ( 2.757 4.731 7.487) 9.276 21.567 ( 1.719 -7.603 -11.010) 13.490 21.567 ( -1.719 -7.603 11.010) 13.490 22.386 ( 0.584 -0.299 -0.534) 0.846 22.386 ( -0.584 -0.299 0.534) 0.846 23.794 ( -1.453 0.370 -1.473) 2.102 23.794 ( 1.453 0.370 1.473) 2.102 28.059 ( 1.520 -0.307 -2.580) 3.010 28.059 ( -1.520 -0.307 2.580) 3.010 =================== 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 3/23328 10.0 444.843 429.211 390.642 0.000 -30.527 -0.000 3/23328 20.0 67.395 62.580 53.620 0.000 -2.350 -0.000 3/23328 30.0 27.490 25.704 22.180 0.000 -0.692 -0.000 3/23328 40.0 16.195 15.080 13.189 0.000 -0.365 -0.000 3/23328 50.0 11.357 10.475 9.252 0.000 -0.252 -0.000 3/23328 60.0 8.763 7.978 7.101 0.000 -0.198 -0.000 3/23328 70.0 7.165 6.429 5.762 0.000 -0.168 -0.000 3/23328 80.0 6.085 5.381 4.854 0.000 -0.148 -0.000 3/23328 90.0 5.306 4.626 4.200 0.000 -0.135 -0.000 3/23328 100.0 4.716 4.059 3.707 0.000 -0.125 -0.000 3/23328 110.0 4.253 3.618 3.324 0.000 -0.117 -0.000 3/23328 120.0 3.880 3.266 3.017 0.000 -0.111 -0.000 3/23328 130.0 3.573 2.978 2.765 0.000 -0.105 -0.000 3/23328 140.0 3.317 2.740 2.556 0.000 -0.100 -0.000 3/23328 150.0 3.101 2.538 2.378 0.000 -0.096 -0.000 3/23328 160.0 2.915 2.365 2.225 0.000 -0.092 -0.000 3/23328 170.0 2.755 2.216 2.092 0.000 -0.088 -0.000 3/23328 180.0 2.615 2.086 1.975 0.000 -0.084 -0.000 3/23328 190.0 2.492 1.971 1.872 0.000 -0.081 -0.000 3/23328 200.0 2.383 1.869 1.780 0.000 -0.078 -0.000 3/23328 210.0 2.286 1.778 1.697 0.000 -0.075 -0.000 3/23328 220.0 2.198 1.695 1.622 0.000 -0.072 -0.000 3/23328 230.0 2.119 1.621 1.553 0.000 -0.070 -0.000 3/23328 240.0 2.047 1.553 1.491 0.000 -0.067 -0.000 3/23328 250.0 1.981 1.491 1.434 0.000 -0.065 -0.000 3/23328 260.0 1.920 1.434 1.381 0.000 -0.063 -0.000 3/23328 270.0 1.864 1.381 1.332 0.000 -0.061 -0.000 3/23328 280.0 1.811 1.332 1.286 0.000 -0.059 -0.000 3/23328 290.0 1.762 1.287 1.244 0.000 -0.057 -0.000 3/23328 300.0 1.717 1.245 1.204 0.000 -0.055 -0.000 3/23328 310.0 1.673 1.205 1.167 0.000 -0.053 -0.000 3/23328 320.0 1.633 1.168 1.132 0.000 -0.052 -0.000 3/23328 330.0 1.594 1.134 1.100 0.000 -0.050 -0.000 3/23328 340.0 1.557 1.101 1.069 0.000 -0.049 -0.000 3/23328 350.0 1.522 1.070 1.039 0.000 -0.047 -0.000 3/23328 360.0 1.489 1.041 1.012 0.000 -0.046 -0.000 3/23328 370.0 1.458 1.014 0.986 0.000 -0.045 -0.000 3/23328 380.0 1.427 0.988 0.961 0.000 -0.044 -0.000 3/23328 390.0 1.398 0.963 0.937 0.000 -0.043 -0.000 3/23328 400.0 1.370 0.939 0.915 0.000 -0.042 -0.000 3/23328 410.0 1.344 0.917 0.893 0.000 -0.041 -0.000 3/23328 420.0 1.318 0.896 0.873 0.000 -0.040 -0.000 3/23328 430.0 1.293 0.875 0.853 0.000 -0.039 -0.000 3/23328 440.0 1.269 0.856 0.835 0.000 -0.038 -0.000 3/23328 450.0 1.246 0.837 0.817 0.000 -0.037 -0.000 3/23328 460.0 1.224 0.819 0.800 0.000 -0.036 -0.000 3/23328 470.0 1.202 0.802 0.783 0.000 -0.036 -0.000 3/23328 480.0 1.182 0.786 0.768 0.000 -0.035 -0.000 3/23328 490.0 1.162 0.770 0.752 0.000 -0.034 -0.000 3/23328 500.0 1.142 0.755 0.738 0.000 -0.033 -0.000 3/23328 510.0 1.123 0.741 0.724 0.000 -0.033 -0.000 3/23328 520.0 1.105 0.727 0.710 0.000 -0.032 -0.000 3/23328 530.0 1.088 0.713 0.697 0.000 -0.032 -0.000 3/23328 540.0 1.070 0.700 0.685 0.000 -0.031 -0.000 3/23328 550.0 1.054 0.688 0.673 0.000 -0.030 -0.000 3/23328 560.0 1.038 0.676 0.661 0.000 -0.030 -0.000 3/23328 570.0 1.022 0.664 0.650 0.000 -0.029 -0.000 3/23328 580.0 1.007 0.653 0.639 0.000 -0.029 -0.000 3/23328 590.0 0.992 0.642 0.628 0.000 -0.028 -0.000 3/23328 600.0 0.978 0.632 0.618 0.000 -0.028 -0.000 3/23328 610.0 0.964 0.621 0.608 0.000 -0.027 -0.000 3/23328 620.0 0.950 0.612 0.599 0.000 -0.027 -0.000 3/23328 630.0 0.937 0.602 0.589 0.000 -0.027 -0.000 3/23328 640.0 0.924 0.593 0.580 0.000 -0.026 -0.000 3/23328 650.0 0.911 0.584 0.572 0.000 -0.026 -0.000 3/23328 660.0 0.899 0.575 0.563 0.000 -0.025 -0.000 3/23328 670.0 0.887 0.567 0.555 0.000 -0.025 -0.000 3/23328 680.0 0.875 0.558 0.547 0.000 -0.025 -0.000 3/23328 690.0 0.864 0.550 0.539 0.000 -0.024 -0.000 3/23328 700.0 0.853 0.543 0.532 0.000 -0.024 -0.000 3/23328 710.0 0.842 0.535 0.524 0.000 -0.024 -0.000 3/23328 720.0 0.832 0.528 0.517 0.000 -0.023 -0.000 3/23328 730.0 0.821 0.521 0.510 0.000 -0.023 -0.000 3/23328 740.0 0.811 0.514 0.503 0.000 -0.023 -0.000 3/23328 750.0 0.802 0.507 0.497 0.000 -0.022 -0.000 3/23328 760.0 0.792 0.500 0.490 0.000 -0.022 -0.000 3/23328 770.0 0.783 0.494 0.484 0.000 -0.022 -0.000 3/23328 780.0 0.773 0.488 0.478 0.000 -0.021 -0.000 3/23328 790.0 0.764 0.482 0.472 0.000 -0.021 -0.000 3/23328 800.0 0.756 0.476 0.466 0.000 -0.021 -0.000 3/23328 810.0 0.747 0.470 0.461 0.000 -0.021 -0.000 3/23328 820.0 0.739 0.464 0.455 0.000 -0.020 -0.000 3/23328 830.0 0.731 0.459 0.450 0.000 -0.020 -0.000 3/23328 840.0 0.723 0.453 0.444 0.000 -0.020 -0.000 3/23328 850.0 0.715 0.448 0.439 0.000 -0.020 -0.000 3/23328 860.0 0.707 0.443 0.434 0.000 -0.019 -0.000 3/23328 870.0 0.699 0.438 0.429 0.000 -0.019 -0.000 3/23328 880.0 0.692 0.433 0.424 0.000 -0.019 -0.000 3/23328 890.0 0.685 0.428 0.420 0.000 -0.019 -0.000 3/23328 900.0 0.678 0.423 0.415 0.000 -0.019 -0.000 3/23328 910.0 0.671 0.419 0.411 0.000 -0.018 -0.000 3/23328 920.0 0.664 0.414 0.406 0.000 -0.018 -0.000 3/23328 930.0 0.657 0.410 0.402 0.000 -0.018 -0.000 3/23328 940.0 0.651 0.405 0.398 0.000 -0.018 -0.000 3/23328 950.0 0.644 0.401 0.394 0.000 -0.018 -0.000 3/23328 960.0 0.638 0.397 0.390 0.000 -0.017 -0.000 3/23328 970.0 0.632 0.393 0.386 0.000 -0.017 -0.000 3/23328 980.0 0.626 0.389 0.382 0.000 -0.017 -0.000 3/23328 990.0 0.620 0.385 0.378 0.000 -0.017 -0.000 3/23328 1000.0 0.614 0.381 0.374 0.000 -0.017 -0.000 3/23328 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:19:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|