----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:33:19]------------------------- 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: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.870904515000000 -4.356690195000000 0.000000000000000 b 5.870904515000000 4.356690195000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.798272430000000 Atomic positions (fractional): *1 Ba 0.19396755235382 0.80603244764618 0.25000000000000 137.327 2 Ba 0.80603244764618 0.19396755235382 0.75000000000000 137.327 *3 Ga 0.12785545140029 0.29005368098739 0.25000000000000 69.723 4 Ga 0.29005368098739 0.12785545140028 0.75000000000000 69.723 5 Ga 0.70994631901261 0.87214454859972 0.25000000000000 69.723 6 Ga 0.87214454859972 0.70994631901261 0.75000000000000 69.723 *7 B 0.50498475042840 0.71742024450189 0.75000000000000 10.811 8 B 0.49501524957160 0.28257975549811 0.25000000000000 10.811 9 B 0.71742024450189 0.50498475042840 0.25000000000000 10.811 10 B 0.28257975549811 0.49501524957160 0.75000000000000 10.811 *11 O 0.13289025655757 0.13289025655757 0.50000000000000 15.999 *12 O 0.66654219811998 0.33345780188002 0.25000000000000 15.999 13 O 0.86710974344243 0.86710974344243 0.00000000000000 15.999 *14 O 0.31821253186128 0.41572873741861 0.25000000000000 15.999 15 O 0.86710974344243 0.86710974344243 0.50000000000000 15.999 16 O 0.13289025655757 0.13289025655757 0.00000000000000 15.999 17 O 0.33345780188002 0.66654219811998 0.75000000000000 15.999 *18 O 0.09332228418893 0.50760408289414 0.75000000000000 15.999 19 O 0.68178746813872 0.58427126258139 0.75000000000000 15.999 20 O 0.50760408289414 0.09332228418893 0.25000000000000 15.999 21 O 0.90667771581107 0.49239591710586 0.25000000000000 15.999 22 O 0.58427126258139 0.68178746813872 0.25000000000000 15.999 23 O 0.41572873741861 0.31821253186128 0.75000000000000 15.999 24 O 0.49239591710586 0.90667771581107 0.75000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.741809030000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.713380389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.798272430000000 Atomic positions (fractional): *1 Ba 0.50000000000000 0.30603244764618 0.25000000000000 137.327 > 1 2 Ba 0.50000000000000 0.69396755235382 0.75000000000000 137.327 > 2 3 Ba 0.00000000000000 0.80603244764618 0.25000000000000 137.327 > 1 4 Ba 0.00000000000000 0.19396755235382 0.75000000000000 137.327 > 2 *5 Ga 0.20895456619384 0.08109911479355 0.25000000000000 69.723 > 3 6 Ga 0.20895456619384 0.91890088520645 0.75000000000000 69.723 > 4 7 Ga 0.79104543380616 0.08109911479355 0.25000000000000 69.723 > 5 8 Ga 0.79104543380616 0.91890088520645 0.75000000000000 69.723 > 6 9 Ga 0.70895456619384 0.58109911479355 0.25000000000000 69.723 > 3 10 Ga 0.70895456619384 0.41890088520645 0.75000000000000 69.723 > 4 11 Ga 0.29104543380616 0.58109911479355 0.25000000000000 69.723 > 5 12 Ga 0.29104543380616 0.41890088520645 0.75000000000000 69.723 > 6 *13 B 0.61120249746515 0.10621774703674 0.75000000000000 10.811 > 7 14 B 0.38879750253485 0.89378225296325 0.25000000000000 10.811 > 8 15 B 0.61120249746515 0.89378225296325 0.25000000000000 10.811 > 9 16 B 0.38879750253485 0.10621774703674 0.75000000000000 10.811 > 10 17 B 0.11120249746515 0.60621774703675 0.75000000000000 10.811 > 7 18 B 0.88879750253485 0.39378225296325 0.25000000000000 10.811 > 8 19 B 0.11120249746515 0.39378225296325 0.25000000000000 10.811 > 9 20 B 0.88879750253485 0.60621774703675 0.75000000000000 10.811 > 10 *21 O 0.13289025655757 0.00000000000000 0.50000000000000 15.999 > 11 *22 O 0.50000000000000 0.83345780188002 0.25000000000000 15.999 > 12 23 O 0.86710974344243 0.00000000000000 0.00000000000000 15.999 > 13 *24 O 0.36697063463995 0.04875810277867 0.25000000000000 15.999 > 14 25 O 0.86710974344243 0.00000000000000 0.50000000000000 15.999 > 15 26 O 0.13289025655757 0.00000000000000 0.00000000000000 15.999 > 16 27 O 0.50000000000000 0.16654219811998 0.75000000000000 15.999 > 17 *28 O 0.30046318354153 0.20714089935260 0.75000000000000 15.999 > 18 29 O 0.63302936536005 0.95124189722133 0.75000000000000 15.999 > 19 30 O 0.30046318354153 0.79285910064740 0.25000000000000 15.999 > 20 31 O 0.69953681645847 0.79285910064740 0.25000000000000 15.999 > 21 32 O 0.63302936536005 0.04875810277867 0.25000000000000 15.999 > 22 33 O 0.36697063463995 0.95124189722133 0.75000000000000 15.999 > 23 34 O 0.69953681645847 0.20714089935260 0.75000000000000 15.999 > 24 35 O 0.63289025655757 0.50000000000000 0.50000000000000 15.999 > 11 36 O 0.00000000000000 0.33345780188002 0.25000000000000 15.999 > 12 37 O 0.36710974344243 0.50000000000000 0.00000000000000 15.999 > 13 38 O 0.86697063463995 0.54875810277867 0.25000000000000 15.999 > 14 39 O 0.36710974344243 0.50000000000000 0.50000000000000 15.999 > 15 40 O 0.63289025655757 0.50000000000000 0.00000000000000 15.999 > 16 41 O 0.00000000000000 0.66654219811998 0.75000000000000 15.999 > 17 42 O 0.80046318354153 0.70714089935260 0.75000000000000 15.999 > 18 43 O 0.13302936536005 0.45124189722133 0.75000000000000 15.999 > 19 44 O 0.80046318354153 0.29285910064740 0.25000000000000 15.999 > 20 45 O 0.19953681645847 0.29285910064740 0.25000000000000 15.999 > 21 46 O 0.13302936536005 0.54875810277867 0.25000000000000 15.999 > 22 47 O 0.86697063463995 0.45124189722133 0.75000000000000 15.999 > 23 48 O 0.19953681645847 0.70714089935260 0.75000000000000 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.741809030000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.713380389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.596544860000000 Atomic positions (fractional): *1 Ba 0.50000000000000 0.30603244764618 0.12500000000000 137.327 > 1 2 Ba 0.50000000000000 0.30603244764618 0.62500000000000 137.327 > 1 3 Ba 0.50000000000000 0.69396755235382 0.37500000000000 137.327 > 2 4 Ba 0.50000000000000 0.69396755235382 0.87500000000000 137.327 > 2 5 Ba 0.00000000000000 0.80603244764618 0.12500000000000 137.327 > 1 6 Ba 0.00000000000000 0.80603244764618 0.62500000000000 137.327 > 1 7 Ba 0.00000000000000 0.19396755235382 0.37500000000000 137.327 > 2 8 Ba 0.00000000000000 0.19396755235382 0.87500000000000 137.327 > 2 *9 Ga 0.20895456619384 0.08109911479355 0.12500000000000 69.723 > 3 10 Ga 0.20895456619384 0.08109911479355 0.62500000000000 69.723 > 3 11 Ga 0.20895456619384 0.91890088520645 0.37500000000000 69.723 > 4 12 Ga 0.20895456619384 0.91890088520645 0.87500000000000 69.723 > 4 13 Ga 0.79104543380616 0.08109911479355 0.12500000000000 69.723 > 5 14 Ga 0.79104543380616 0.08109911479355 0.62500000000000 69.723 > 5 15 Ga 0.79104543380616 0.91890088520645 0.37500000000000 69.723 > 6 16 Ga 0.79104543380616 0.91890088520645 0.87500000000000 69.723 > 6 17 Ga 0.70895456619384 0.58109911479355 0.12500000000000 69.723 > 3 18 Ga 0.70895456619384 0.58109911479355 0.62500000000000 69.723 > 3 19 Ga 0.70895456619384 0.41890088520645 0.37500000000000 69.723 > 4 20 Ga 0.70895456619384 0.41890088520645 0.87500000000000 69.723 > 4 21 Ga 0.29104543380616 0.58109911479355 0.12500000000000 69.723 > 5 22 Ga 0.29104543380616 0.58109911479355 0.62500000000000 69.723 > 5 23 Ga 0.29104543380616 0.41890088520645 0.37500000000000 69.723 > 6 24 Ga 0.29104543380616 0.41890088520645 0.87500000000000 69.723 > 6 *25 B 0.61120249746515 0.10621774703674 0.37500000000000 10.811 > 7 26 B 0.61120249746515 0.10621774703674 0.87500000000000 10.811 > 7 27 B 0.38879750253485 0.89378225296325 0.12500000000000 10.811 > 8 28 B 0.38879750253485 0.89378225296325 0.62500000000000 10.811 > 8 29 B 0.61120249746515 0.89378225296325 0.12500000000000 10.811 > 9 30 B 0.61120249746515 0.89378225296325 0.62500000000000 10.811 > 9 31 B 0.38879750253485 0.10621774703674 0.37500000000000 10.811 > 10 32 B 0.38879750253485 0.10621774703674 0.87500000000000 10.811 > 10 33 B 0.11120249746515 0.60621774703675 0.37500000000000 10.811 > 7 34 B 0.11120249746515 0.60621774703675 0.87500000000000 10.811 > 7 35 B 0.88879750253485 0.39378225296325 0.12500000000000 10.811 > 8 36 B 0.88879750253485 0.39378225296325 0.62500000000000 10.811 > 8 37 B 0.11120249746515 0.39378225296325 0.12500000000000 10.811 > 9 38 B 0.11120249746515 0.39378225296325 0.62500000000000 10.811 > 9 39 B 0.88879750253485 0.60621774703675 0.37500000000000 10.811 > 10 40 B 0.88879750253485 0.60621774703675 0.87500000000000 10.811 > 10 *41 O 0.13289025655757 0.00000000000000 0.25000000000000 15.999 > 11 42 O 0.13289025655757 0.00000000000000 0.75000000000000 15.999 > 11 *43 O 0.50000000000000 0.83345780188002 0.12500000000000 15.999 > 12 44 O 0.50000000000000 0.83345780188002 0.62500000000000 15.999 > 12 45 O 0.86710974344243 0.00000000000000 0.00000000000000 15.999 > 13 46 O 0.86710974344243 0.00000000000000 0.50000000000000 15.999 > 13 *47 O 0.36697063463995 0.04875810277867 0.12500000000000 15.999 > 14 48 O 0.36697063463995 0.04875810277867 0.62500000000000 15.999 > 14 49 O 0.86710974344243 0.00000000000000 0.25000000000000 15.999 > 15 50 O 0.86710974344243 0.00000000000000 0.75000000000000 15.999 > 15 51 O 0.13289025655757 0.00000000000000 0.00000000000000 15.999 > 16 52 O 0.13289025655757 0.00000000000000 0.50000000000000 15.999 > 16 53 O 0.50000000000000 0.16654219811998 0.37500000000000 15.999 > 17 54 O 0.50000000000000 0.16654219811998 0.87500000000000 15.999 > 17 *55 O 0.30046318354153 0.20714089935260 0.37500000000000 15.999 > 18 56 O 0.30046318354153 0.20714089935260 0.87500000000000 15.999 > 18 57 O 0.63302936536005 0.95124189722133 0.37500000000000 15.999 > 19 58 O 0.63302936536005 0.95124189722133 0.87500000000000 15.999 > 19 59 O 0.30046318354153 0.79285910064740 0.12500000000000 15.999 > 20 60 O 0.30046318354153 0.79285910064740 0.62500000000000 15.999 > 20 61 O 0.69953681645847 0.79285910064740 0.12500000000000 15.999 > 21 62 O 0.69953681645847 0.79285910064740 0.62500000000000 15.999 > 21 63 O 0.63302936536005 0.04875810277867 0.12500000000000 15.999 > 22 64 O 0.63302936536005 0.04875810277867 0.62500000000000 15.999 > 22 65 O 0.36697063463995 0.95124189722133 0.37500000000000 15.999 > 23 66 O 0.36697063463995 0.95124189722133 0.87500000000000 15.999 > 23 67 O 0.69953681645847 0.20714089935260 0.37500000000000 15.999 > 24 68 O 0.69953681645847 0.20714089935260 0.87500000000000 15.999 > 24 69 O 0.63289025655757 0.50000000000000 0.25000000000000 15.999 > 11 70 O 0.63289025655757 0.50000000000000 0.75000000000000 15.999 > 11 71 O 0.00000000000000 0.33345780188002 0.12500000000000 15.999 > 12 72 O 0.00000000000000 0.33345780188002 0.62500000000000 15.999 > 12 73 O 0.36710974344243 0.50000000000000 0.00000000000000 15.999 > 13 74 O 0.36710974344243 0.50000000000000 0.50000000000000 15.999 > 13 75 O 0.86697063463995 0.54875810277867 0.12500000000000 15.999 > 14 76 O 0.86697063463995 0.54875810277867 0.62500000000000 15.999 > 14 77 O 0.36710974344243 0.50000000000000 0.25000000000000 15.999 > 15 78 O 0.36710974344243 0.50000000000000 0.75000000000000 15.999 > 15 79 O 0.63289025655757 0.50000000000000 0.00000000000000 15.999 > 16 80 O 0.63289025655757 0.50000000000000 0.50000000000000 15.999 > 16 81 O 0.00000000000000 0.66654219811998 0.37500000000000 15.999 > 17 82 O 0.00000000000000 0.66654219811998 0.87500000000000 15.999 > 17 83 O 0.80046318354153 0.70714089935260 0.37500000000000 15.999 > 18 84 O 0.80046318354153 0.70714089935260 0.87500000000000 15.999 > 18 85 O 0.13302936536005 0.45124189722133 0.37500000000000 15.999 > 19 86 O 0.13302936536005 0.45124189722133 0.87500000000000 15.999 > 19 87 O 0.80046318354153 0.29285910064740 0.12500000000000 15.999 > 20 88 O 0.80046318354153 0.29285910064740 0.62500000000000 15.999 > 20 89 O 0.19953681645847 0.29285910064740 0.12500000000000 15.999 > 21 90 O 0.19953681645847 0.29285910064740 0.62500000000000 15.999 > 21 91 O 0.13302936536005 0.54875810277867 0.12500000000000 15.999 > 22 92 O 0.13302936536005 0.54875810277867 0.62500000000000 15.999 > 22 93 O 0.86697063463995 0.45124189722133 0.37500000000000 15.999 > 23 94 O 0.86697063463995 0.45124189722133 0.87500000000000 15.999 > 23 95 O 0.19953681645847 0.70714089935260 0.37500000000000 15.999 > 24 96 O 0.19953681645847 0.70714089935260 0.87500000000000 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3073942 0.0000000 0.0000000 0.0000000 3.3961287 0.0000000 0.0000000 0.0000000 3.0739407 -------------------------- Born effective charges -------------------------- 1 Ba 2.7995602 -0.0000000 0.0000000 0.0000000 2.9394242 0.0000000 0.0000000 0.0000000 2.3890113 2 Ba 2.7995602 -0.0000000 0.0000000 0.0000000 2.9394242 0.0000000 0.0000000 0.0000000 2.3890113 3 Ga 2.5769606 -0.1944331 0.0000000 -0.1079022 2.9948030 0.0000000 0.0000000 0.0000000 2.9308508 4 Ga 2.5769606 0.1944331 0.0000000 0.1079022 2.9948030 0.0000000 0.0000000 0.0000000 2.9308508 5 Ga 2.5769606 0.1944331 0.0000000 0.1079022 2.9948030 0.0000000 0.0000000 0.0000000 2.9308508 6 Ga 2.5769606 -0.1944331 0.0000000 -0.1079022 2.9948030 0.0000000 0.0000000 0.0000000 2.9308508 7 B 2.8559278 -0.4446408 0.0000000 0.3420861 2.7791394 0.0000000 0.0000000 0.0000000 0.9426894 8 B 2.8559278 -0.4446408 0.0000000 0.3420861 2.7791394 0.0000000 0.0000000 0.0000000 0.9426894 9 B 2.8559278 0.4446408 0.0000000 -0.3420861 2.7791394 0.0000000 0.0000000 0.0000000 0.9426894 10 B 2.8559278 0.4446408 0.0000000 -0.3420861 2.7791394 0.0000000 0.0000000 0.0000000 0.9426894 11 O -1.7414673 -0.0000000 0.0000000 0.0000000 -1.6891859 0.1283152 0.0000000 0.1614290 -2.4271031 12 O -3.0847501 -0.0000000 0.0000000 0.0000000 -1.2222085 0.0000000 0.0000000 0.0000000 -0.8712074 13 O -1.7414673 -0.0000000 0.0000000 0.0000000 -1.6891859 -0.1283152 0.0000000 -0.1614290 -2.4271031 14 O -1.8230322 0.2712402 0.0000000 0.0395228 -2.4044043 0.0000000 0.0000000 0.0000000 -1.1249149 15 O -1.7414673 -0.0000000 0.0000000 0.0000000 -1.6891859 0.1283152 0.0000000 0.1614290 -2.4271031 16 O -1.7414673 -0.0000000 0.0000000 0.0000000 -1.6891859 -0.1283152 0.0000000 -0.1614290 -2.4271031 17 O -3.0847501 -0.0000000 0.0000000 0.0000000 -1.2222085 0.0000000 0.0000000 0.0000000 -0.8712074 18 O -1.7257939 0.4598074 0.0000000 0.6721142 -2.5389599 0.0000000 0.0000000 0.0000000 -1.0804242 19 O -1.8230322 0.2712402 0.0000000 0.0395228 -2.4044043 0.0000000 0.0000000 0.0000000 -1.1249149 20 O -1.7257939 -0.4598074 0.0000000 -0.6721142 -2.5389599 0.0000000 0.0000000 0.0000000 -1.0804242 21 O -1.7257939 0.4598074 0.0000000 0.6721142 -2.5389599 0.0000000 0.0000000 0.0000000 -1.0804242 22 O -1.8230322 -0.2712402 0.0000000 -0.0395228 -2.4044043 0.0000000 0.0000000 0.0000000 -1.1249149 23 O -1.8230322 -0.2712402 0.0000000 -0.0395228 -2.4044043 0.0000000 0.0000000 0.0000000 -1.1249149 24 O -1.7257939 -0.4598074 0.0000000 -0.6721142 -2.5389599 0.0000000 0.0000000 0.0000000 -1.0804242 ---------------------------------------------------------------------------- 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: 12528/12528 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1462 Number of blocks in projector: 1462 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: 372 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 180 Use standard eigh solver. Tree of FC basis block matrices: - (1462, 1431), data: False |-- (180, 180), data: True |-- (196, 194), data: True |-- (238, 231), data: True |-- (238, 231), data: True |-- (238, 231), data: True |-- (372, 364), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.629 Solver_block: 200 / 400 - Time: 1.621 Solver_block: 300 / 400 - Time: 1.622 Solver_block: 400 / 400 - Time: 1.623 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.527 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 12528/12528 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1462 Number of blocks in projector: 1462 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: 372 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 180 Use standard eigh solver. Tree of FC basis block matrices: - (1462, 1431), data: False |-- (180, 180), data: True |-- (196, 194), data: True |-- (238, 231), data: True |-- (238, 231), data: True |-- (238, 231), data: True |-- (372, 364), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:33:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:33:41]------------------------- 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): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.870904515000000 -4.356690195000000 0.000000000000000 b 5.870904515000000 4.356690195000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.798272430000000 Atomic positions (fractional): 1 Ba 0.19396755235382 0.80603244764618 0.25000000000000 137.327 2 Ba 0.80603244764618 0.19396755235382 0.75000000000000 137.327 3 Ga 0.12785545140029 0.29005368098739 0.25000000000000 69.723 4 Ga 0.29005368098739 0.12785545140028 0.75000000000000 69.723 5 Ga 0.70994631901261 0.87214454859972 0.25000000000000 69.723 6 Ga 0.87214454859972 0.70994631901261 0.75000000000000 69.723 7 B 0.50498475042840 0.71742024450189 0.75000000000000 10.811 8 B 0.49501524957160 0.28257975549811 0.25000000000000 10.811 9 B 0.71742024450189 0.50498475042840 0.25000000000000 10.811 10 B 0.28257975549811 0.49501524957160 0.75000000000000 10.811 11 O 0.13289025655757 0.13289025655757 0.50000000000000 15.999 12 O 0.66654219811998 0.33345780188002 0.25000000000000 15.999 13 O 0.86710974344243 0.86710974344243 0.00000000000000 15.999 14 O 0.31821253186128 0.41572873741861 0.25000000000000 15.999 15 O 0.86710974344243 0.86710974344243 0.50000000000000 15.999 16 O 0.13289025655757 0.13289025655757 0.00000000000000 15.999 17 O 0.33345780188002 0.66654219811998 0.75000000000000 15.999 18 O 0.09332228418893 0.50760408289414 0.75000000000000 15.999 19 O 0.68178746813872 0.58427126258139 0.75000000000000 15.999 20 O 0.50760408289414 0.09332228418893 0.25000000000000 15.999 21 O 0.90667771581107 0.49239591710586 0.25000000000000 15.999 22 O 0.58427126258139 0.68178746813872 0.25000000000000 15.999 23 O 0.41572873741861 0.31821253186128 0.75000000000000 15.999 24 O 0.49239591710586 0.90667771581107 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.741809030000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.713380389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.596544860000000 Atomic positions (fractional): 1 Ba 0.50000000000000 0.30603244764618 0.12500000000000 137.327 > 1 2 Ba 0.50000000000000 0.30603244764618 0.62500000000000 137.327 > 1 3 Ba 0.50000000000000 0.69396755235382 0.37500000000000 137.327 > 3 4 Ba 0.50000000000000 0.69396755235382 0.87500000000000 137.327 > 3 5 Ba 0.00000000000000 0.80603244764618 0.12500000000000 137.327 > 1 6 Ba 0.00000000000000 0.80603244764618 0.62500000000000 137.327 > 1 7 Ba 0.00000000000000 0.19396755235382 0.37500000000000 137.327 > 3 8 Ba 0.00000000000000 0.19396755235382 0.87500000000000 137.327 > 3 9 Ga 0.20895456619384 0.08109911479355 0.12500000000000 69.723 > 9 10 Ga 0.20895456619384 0.08109911479355 0.62500000000000 69.723 > 9 11 Ga 0.20895456619384 0.91890088520645 0.37500000000000 69.723 > 11 12 Ga 0.20895456619384 0.91890088520645 0.87500000000000 69.723 > 11 13 Ga 0.79104543380616 0.08109911479355 0.12500000000000 69.723 > 13 14 Ga 0.79104543380616 0.08109911479355 0.62500000000000 69.723 > 13 15 Ga 0.79104543380616 0.91890088520645 0.37500000000000 69.723 > 15 16 Ga 0.79104543380616 0.91890088520645 0.87500000000000 69.723 > 15 17 Ga 0.70895456619384 0.58109911479355 0.12500000000000 69.723 > 9 18 Ga 0.70895456619384 0.58109911479355 0.62500000000000 69.723 > 9 19 Ga 0.70895456619384 0.41890088520645 0.37500000000000 69.723 > 11 20 Ga 0.70895456619384 0.41890088520645 0.87500000000000 69.723 > 11 21 Ga 0.29104543380616 0.58109911479355 0.12500000000000 69.723 > 13 22 Ga 0.29104543380616 0.58109911479355 0.62500000000000 69.723 > 13 23 Ga 0.29104543380616 0.41890088520645 0.37500000000000 69.723 > 15 24 Ga 0.29104543380616 0.41890088520645 0.87500000000000 69.723 > 15 25 B 0.61120249746515 0.10621774703674 0.37500000000000 10.811 > 25 26 B 0.61120249746515 0.10621774703674 0.87500000000000 10.811 > 25 27 B 0.38879750253485 0.89378225296325 0.12500000000000 10.811 > 27 28 B 0.38879750253485 0.89378225296325 0.62500000000000 10.811 > 27 29 B 0.61120249746515 0.89378225296325 0.12500000000000 10.811 > 29 30 B 0.61120249746515 0.89378225296325 0.62500000000000 10.811 > 29 31 B 0.38879750253485 0.10621774703674 0.37500000000000 10.811 > 31 32 B 0.38879750253485 0.10621774703674 0.87500000000000 10.811 > 31 33 B 0.11120249746515 0.60621774703675 0.37500000000000 10.811 > 25 34 B 0.11120249746515 0.60621774703675 0.87500000000000 10.811 > 25 35 B 0.88879750253485 0.39378225296325 0.12500000000000 10.811 > 27 36 B 0.88879750253485 0.39378225296325 0.62500000000000 10.811 > 27 37 B 0.11120249746515 0.39378225296325 0.12500000000000 10.811 > 29 38 B 0.11120249746515 0.39378225296325 0.62500000000000 10.811 > 29 39 B 0.88879750253485 0.60621774703675 0.37500000000000 10.811 > 31 40 B 0.88879750253485 0.60621774703675 0.87500000000000 10.811 > 31 41 O 0.13289025655757 0.00000000000000 0.25000000000000 15.999 > 41 42 O 0.13289025655757 0.00000000000000 0.75000000000000 15.999 > 41 43 O 0.50000000000000 0.83345780188002 0.12500000000000 15.999 > 43 44 O 0.50000000000000 0.83345780188002 0.62500000000000 15.999 > 43 45 O 0.86710974344243 0.00000000000000 0.00000000000000 15.999 > 45 46 O 0.86710974344243 0.00000000000000 0.50000000000000 15.999 > 45 47 O 0.36697063463995 0.04875810277867 0.12500000000000 15.999 > 47 48 O 0.36697063463995 0.04875810277867 0.62500000000000 15.999 > 47 49 O 0.86710974344243 0.00000000000000 0.25000000000000 15.999 > 49 50 O 0.86710974344243 0.00000000000000 0.75000000000000 15.999 > 49 51 O 0.13289025655757 0.00000000000000 0.00000000000000 15.999 > 51 52 O 0.13289025655757 0.00000000000000 0.50000000000000 15.999 > 51 53 O 0.50000000000000 0.16654219811998 0.37500000000000 15.999 > 53 54 O 0.50000000000000 0.16654219811998 0.87500000000000 15.999 > 53 55 O 0.30046318354153 0.20714089935260 0.37500000000000 15.999 > 55 56 O 0.30046318354153 0.20714089935260 0.87500000000000 15.999 > 55 57 O 0.63302936536005 0.95124189722133 0.37500000000000 15.999 > 57 58 O 0.63302936536005 0.95124189722133 0.87500000000000 15.999 > 57 59 O 0.30046318354153 0.79285910064740 0.12500000000000 15.999 > 59 60 O 0.30046318354153 0.79285910064740 0.62500000000000 15.999 > 59 61 O 0.69953681645847 0.79285910064740 0.12500000000000 15.999 > 61 62 O 0.69953681645847 0.79285910064740 0.62500000000000 15.999 > 61 63 O 0.63302936536005 0.04875810277867 0.12500000000000 15.999 > 63 64 O 0.63302936536005 0.04875810277867 0.62500000000000 15.999 > 63 65 O 0.36697063463995 0.95124189722133 0.37500000000000 15.999 > 65 66 O 0.36697063463995 0.95124189722133 0.87500000000000 15.999 > 65 67 O 0.69953681645847 0.20714089935260 0.37500000000000 15.999 > 67 68 O 0.69953681645847 0.20714089935260 0.87500000000000 15.999 > 67 69 O 0.63289025655757 0.50000000000000 0.25000000000000 15.999 > 41 70 O 0.63289025655757 0.50000000000000 0.75000000000000 15.999 > 41 71 O 0.00000000000000 0.33345780188002 0.12500000000000 15.999 > 43 72 O 0.00000000000000 0.33345780188002 0.62500000000000 15.999 > 43 73 O 0.36710974344243 0.50000000000000 0.00000000000000 15.999 > 45 74 O 0.36710974344243 0.50000000000000 0.50000000000000 15.999 > 45 75 O 0.86697063463995 0.54875810277867 0.12500000000000 15.999 > 47 76 O 0.86697063463995 0.54875810277867 0.62500000000000 15.999 > 47 77 O 0.36710974344243 0.50000000000000 0.25000000000000 15.999 > 49 78 O 0.36710974344243 0.50000000000000 0.75000000000000 15.999 > 49 79 O 0.63289025655757 0.50000000000000 0.00000000000000 15.999 > 51 80 O 0.63289025655757 0.50000000000000 0.50000000000000 15.999 > 51 81 O 0.00000000000000 0.66654219811998 0.37500000000000 15.999 > 53 82 O 0.00000000000000 0.66654219811998 0.87500000000000 15.999 > 53 83 O 0.80046318354153 0.70714089935260 0.37500000000000 15.999 > 55 84 O 0.80046318354153 0.70714089935260 0.87500000000000 15.999 > 55 85 O 0.13302936536005 0.45124189722133 0.37500000000000 15.999 > 57 86 O 0.13302936536005 0.45124189722133 0.87500000000000 15.999 > 57 87 O 0.80046318354153 0.29285910064740 0.12500000000000 15.999 > 59 88 O 0.80046318354153 0.29285910064740 0.62500000000000 15.999 > 59 89 O 0.19953681645847 0.29285910064740 0.12500000000000 15.999 > 61 90 O 0.19953681645847 0.29285910064740 0.62500000000000 15.999 > 61 91 O 0.13302936536005 0.54875810277867 0.12500000000000 15.999 > 63 92 O 0.13302936536005 0.54875810277867 0.62500000000000 15.999 > 63 93 O 0.86697063463995 0.45124189722133 0.37500000000000 15.999 > 65 94 O 0.86697063463995 0.45124189722133 0.87500000000000 15.999 > 65 95 O 0.19953681645847 0.70714089935260 0.37500000000000 15.999 > 67 96 O 0.19953681645847 0.70714089935260 0.87500000000000 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3073942 0.0000000 0.0000000 0.0000000 3.3961287 0.0000000 0.0000000 0.0000000 3.0739407 -------------------------- Born effective charges -------------------------- 1 Ba 2.7995602 -0.0000000 0.0000000 0.0000000 2.9394242 0.0000000 0.0000000 0.0000000 2.3890113 2 Ba 2.7995602 -0.0000000 0.0000000 0.0000000 2.9394242 0.0000000 0.0000000 0.0000000 2.3890113 3 Ga 2.5769606 -0.1944331 0.0000000 -0.1079022 2.9948030 0.0000000 0.0000000 0.0000000 2.9308508 4 Ga 2.5769606 0.1944331 0.0000000 0.1079022 2.9948030 0.0000000 0.0000000 0.0000000 2.9308508 5 Ga 2.5769606 0.1944331 0.0000000 0.1079022 2.9948030 0.0000000 0.0000000 0.0000000 2.9308508 6 Ga 2.5769606 -0.1944331 0.0000000 -0.1079022 2.9948030 0.0000000 0.0000000 0.0000000 2.9308508 7 B 2.8559278 -0.4446408 0.0000000 0.3420861 2.7791394 0.0000000 0.0000000 0.0000000 0.9426894 8 B 2.8559278 -0.4446408 0.0000000 0.3420861 2.7791394 0.0000000 0.0000000 0.0000000 0.9426894 9 B 2.8559278 0.4446408 0.0000000 -0.3420861 2.7791394 0.0000000 0.0000000 0.0000000 0.9426894 10 B 2.8559278 0.4446408 0.0000000 -0.3420861 2.7791394 0.0000000 0.0000000 0.0000000 0.9426894 11 O -1.7414673 -0.0000000 0.0000000 0.0000000 -1.6891859 0.1283152 0.0000000 0.1614290 -2.4271031 12 O -3.0847501 -0.0000000 0.0000000 0.0000000 -1.2222085 0.0000000 0.0000000 0.0000000 -0.8712074 13 O -1.7414673 -0.0000000 0.0000000 0.0000000 -1.6891859 -0.1283152 0.0000000 -0.1614290 -2.4271031 14 O -1.8230322 0.2712402 0.0000000 0.0395228 -2.4044043 0.0000000 0.0000000 0.0000000 -1.1249149 15 O -1.7414673 -0.0000000 0.0000000 0.0000000 -1.6891859 0.1283152 0.0000000 0.1614290 -2.4271031 16 O -1.7414673 -0.0000000 0.0000000 0.0000000 -1.6891859 -0.1283152 0.0000000 -0.1614290 -2.4271031 17 O -3.0847501 -0.0000000 0.0000000 0.0000000 -1.2222085 0.0000000 0.0000000 0.0000000 -0.8712074 18 O -1.7257939 0.4598074 0.0000000 0.6721142 -2.5389599 0.0000000 0.0000000 0.0000000 -1.0804242 19 O -1.8230322 0.2712402 0.0000000 0.0395228 -2.4044043 0.0000000 0.0000000 0.0000000 -1.1249149 20 O -1.7257939 -0.4598074 0.0000000 -0.6721142 -2.5389599 0.0000000 0.0000000 0.0000000 -1.0804242 21 O -1.7257939 0.4598074 0.0000000 0.6721142 -2.5389599 0.0000000 0.0000000 0.0000000 -1.0804242 22 O -1.8230322 -0.2712402 0.0000000 -0.0395228 -2.4044043 0.0000000 0.0000000 0.0000000 -1.1249149 23 O -1.8230322 -0.2712402 0.0000000 -0.0395228 -2.4044043 0.0000000 0.0000000 0.0000000 -1.1249149 24 O -1.7257939 -0.4598074 0.0000000 -0.6721142 -2.5389599 0.0000000 0.0000000 0.0000000 -1.0804242 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 47, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xy) 0.00000002 (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 16:33:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:33:59]------------------------- 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): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.870904515000000 -4.356690195000000 0.000000000000000 b 5.870904515000000 4.356690195000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.798272430000000 Atomic positions (fractional): 1 Ba 0.19396755235382 0.80603244764618 0.25000000000000 137.327 2 Ba 0.80603244764618 0.19396755235382 0.75000000000000 137.327 3 Ga 0.12785545140029 0.29005368098739 0.25000000000000 69.723 4 Ga 0.29005368098739 0.12785545140028 0.75000000000000 69.723 5 Ga 0.70994631901261 0.87214454859972 0.25000000000000 69.723 6 Ga 0.87214454859972 0.70994631901261 0.75000000000000 69.723 7 B 0.50498475042840 0.71742024450189 0.75000000000000 10.811 8 B 0.49501524957160 0.28257975549811 0.25000000000000 10.811 9 B 0.71742024450189 0.50498475042840 0.25000000000000 10.811 10 B 0.28257975549811 0.49501524957160 0.75000000000000 10.811 11 O 0.13289025655757 0.13289025655757 0.50000000000000 15.999 12 O 0.66654219811998 0.33345780188002 0.25000000000000 15.999 13 O 0.86710974344243 0.86710974344243 0.00000000000000 15.999 14 O 0.31821253186128 0.41572873741861 0.25000000000000 15.999 15 O 0.86710974344243 0.86710974344243 0.50000000000000 15.999 16 O 0.13289025655757 0.13289025655757 0.00000000000000 15.999 17 O 0.33345780188002 0.66654219811998 0.75000000000000 15.999 18 O 0.09332228418893 0.50760408289414 0.75000000000000 15.999 19 O 0.68178746813872 0.58427126258139 0.75000000000000 15.999 20 O 0.50760408289414 0.09332228418893 0.25000000000000 15.999 21 O 0.90667771581107 0.49239591710586 0.25000000000000 15.999 22 O 0.58427126258139 0.68178746813872 0.25000000000000 15.999 23 O 0.41572873741861 0.31821253186128 0.75000000000000 15.999 24 O 0.49239591710586 0.90667771581107 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.741809030000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.713380389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.596544860000000 Atomic positions (fractional): 1 Ba 0.50000000000000 0.30603244764618 0.12500000000000 137.327 > 1 2 Ba 0.50000000000000 0.30603244764618 0.62500000000000 137.327 > 1 3 Ba 0.50000000000000 0.69396755235382 0.37500000000000 137.327 > 3 4 Ba 0.50000000000000 0.69396755235382 0.87500000000000 137.327 > 3 5 Ba 0.00000000000000 0.80603244764618 0.12500000000000 137.327 > 1 6 Ba 0.00000000000000 0.80603244764618 0.62500000000000 137.327 > 1 7 Ba 0.00000000000000 0.19396755235382 0.37500000000000 137.327 > 3 8 Ba 0.00000000000000 0.19396755235382 0.87500000000000 137.327 > 3 9 Ga 0.20895456619384 0.08109911479355 0.12500000000000 69.723 > 9 10 Ga 0.20895456619384 0.08109911479355 0.62500000000000 69.723 > 9 11 Ga 0.20895456619384 0.91890088520645 0.37500000000000 69.723 > 11 12 Ga 0.20895456619384 0.91890088520645 0.87500000000000 69.723 > 11 13 Ga 0.79104543380616 0.08109911479355 0.12500000000000 69.723 > 13 14 Ga 0.79104543380616 0.08109911479355 0.62500000000000 69.723 > 13 15 Ga 0.79104543380616 0.91890088520645 0.37500000000000 69.723 > 15 16 Ga 0.79104543380616 0.91890088520645 0.87500000000000 69.723 > 15 17 Ga 0.70895456619384 0.58109911479355 0.12500000000000 69.723 > 9 18 Ga 0.70895456619384 0.58109911479355 0.62500000000000 69.723 > 9 19 Ga 0.70895456619384 0.41890088520645 0.37500000000000 69.723 > 11 20 Ga 0.70895456619384 0.41890088520645 0.87500000000000 69.723 > 11 21 Ga 0.29104543380616 0.58109911479355 0.12500000000000 69.723 > 13 22 Ga 0.29104543380616 0.58109911479355 0.62500000000000 69.723 > 13 23 Ga 0.29104543380616 0.41890088520645 0.37500000000000 69.723 > 15 24 Ga 0.29104543380616 0.41890088520645 0.87500000000000 69.723 > 15 25 B 0.61120249746515 0.10621774703674 0.37500000000000 10.811 > 25 26 B 0.61120249746515 0.10621774703674 0.87500000000000 10.811 > 25 27 B 0.38879750253485 0.89378225296325 0.12500000000000 10.811 > 27 28 B 0.38879750253485 0.89378225296325 0.62500000000000 10.811 > 27 29 B 0.61120249746515 0.89378225296325 0.12500000000000 10.811 > 29 30 B 0.61120249746515 0.89378225296325 0.62500000000000 10.811 > 29 31 B 0.38879750253485 0.10621774703674 0.37500000000000 10.811 > 31 32 B 0.38879750253485 0.10621774703674 0.87500000000000 10.811 > 31 33 B 0.11120249746515 0.60621774703675 0.37500000000000 10.811 > 25 34 B 0.11120249746515 0.60621774703675 0.87500000000000 10.811 > 25 35 B 0.88879750253485 0.39378225296325 0.12500000000000 10.811 > 27 36 B 0.88879750253485 0.39378225296325 0.62500000000000 10.811 > 27 37 B 0.11120249746515 0.39378225296325 0.12500000000000 10.811 > 29 38 B 0.11120249746515 0.39378225296325 0.62500000000000 10.811 > 29 39 B 0.88879750253485 0.60621774703675 0.37500000000000 10.811 > 31 40 B 0.88879750253485 0.60621774703675 0.87500000000000 10.811 > 31 41 O 0.13289025655757 0.00000000000000 0.25000000000000 15.999 > 41 42 O 0.13289025655757 0.00000000000000 0.75000000000000 15.999 > 41 43 O 0.50000000000000 0.83345780188002 0.12500000000000 15.999 > 43 44 O 0.50000000000000 0.83345780188002 0.62500000000000 15.999 > 43 45 O 0.86710974344243 0.00000000000000 0.00000000000000 15.999 > 45 46 O 0.86710974344243 0.00000000000000 0.50000000000000 15.999 > 45 47 O 0.36697063463995 0.04875810277867 0.12500000000000 15.999 > 47 48 O 0.36697063463995 0.04875810277867 0.62500000000000 15.999 > 47 49 O 0.86710974344243 0.00000000000000 0.25000000000000 15.999 > 49 50 O 0.86710974344243 0.00000000000000 0.75000000000000 15.999 > 49 51 O 0.13289025655757 0.00000000000000 0.00000000000000 15.999 > 51 52 O 0.13289025655757 0.00000000000000 0.50000000000000 15.999 > 51 53 O 0.50000000000000 0.16654219811998 0.37500000000000 15.999 > 53 54 O 0.50000000000000 0.16654219811998 0.87500000000000 15.999 > 53 55 O 0.30046318354153 0.20714089935260 0.37500000000000 15.999 > 55 56 O 0.30046318354153 0.20714089935260 0.87500000000000 15.999 > 55 57 O 0.63302936536005 0.95124189722133 0.37500000000000 15.999 > 57 58 O 0.63302936536005 0.95124189722133 0.87500000000000 15.999 > 57 59 O 0.30046318354153 0.79285910064740 0.12500000000000 15.999 > 59 60 O 0.30046318354153 0.79285910064740 0.62500000000000 15.999 > 59 61 O 0.69953681645847 0.79285910064740 0.12500000000000 15.999 > 61 62 O 0.69953681645847 0.79285910064740 0.62500000000000 15.999 > 61 63 O 0.63302936536005 0.04875810277867 0.12500000000000 15.999 > 63 64 O 0.63302936536005 0.04875810277867 0.62500000000000 15.999 > 63 65 O 0.36697063463995 0.95124189722133 0.37500000000000 15.999 > 65 66 O 0.36697063463995 0.95124189722133 0.87500000000000 15.999 > 65 67 O 0.69953681645847 0.20714089935260 0.37500000000000 15.999 > 67 68 O 0.69953681645847 0.20714089935260 0.87500000000000 15.999 > 67 69 O 0.63289025655757 0.50000000000000 0.25000000000000 15.999 > 41 70 O 0.63289025655757 0.50000000000000 0.75000000000000 15.999 > 41 71 O 0.00000000000000 0.33345780188002 0.12500000000000 15.999 > 43 72 O 0.00000000000000 0.33345780188002 0.62500000000000 15.999 > 43 73 O 0.36710974344243 0.50000000000000 0.00000000000000 15.999 > 45 74 O 0.36710974344243 0.50000000000000 0.50000000000000 15.999 > 45 75 O 0.86697063463995 0.54875810277867 0.12500000000000 15.999 > 47 76 O 0.86697063463995 0.54875810277867 0.62500000000000 15.999 > 47 77 O 0.36710974344243 0.50000000000000 0.25000000000000 15.999 > 49 78 O 0.36710974344243 0.50000000000000 0.75000000000000 15.999 > 49 79 O 0.63289025655757 0.50000000000000 0.00000000000000 15.999 > 51 80 O 0.63289025655757 0.50000000000000 0.50000000000000 15.999 > 51 81 O 0.00000000000000 0.66654219811998 0.37500000000000 15.999 > 53 82 O 0.00000000000000 0.66654219811998 0.87500000000000 15.999 > 53 83 O 0.80046318354153 0.70714089935260 0.37500000000000 15.999 > 55 84 O 0.80046318354153 0.70714089935260 0.87500000000000 15.999 > 55 85 O 0.13302936536005 0.45124189722133 0.37500000000000 15.999 > 57 86 O 0.13302936536005 0.45124189722133 0.87500000000000 15.999 > 57 87 O 0.80046318354153 0.29285910064740 0.12500000000000 15.999 > 59 88 O 0.80046318354153 0.29285910064740 0.62500000000000 15.999 > 59 89 O 0.19953681645847 0.29285910064740 0.12500000000000 15.999 > 61 90 O 0.19953681645847 0.29285910064740 0.62500000000000 15.999 > 61 91 O 0.13302936536005 0.54875810277867 0.12500000000000 15.999 > 63 92 O 0.13302936536005 0.54875810277867 0.62500000000000 15.999 > 63 93 O 0.86697063463995 0.45124189722133 0.37500000000000 15.999 > 65 94 O 0.86697063463995 0.45124189722133 0.87500000000000 15.999 > 65 95 O 0.19953681645847 0.70714089935260 0.37500000000000 15.999 > 67 96 O 0.19953681645847 0.70714089935260 0.87500000000000 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3073942 0.0000000 0.0000000 0.0000000 3.3961287 0.0000000 0.0000000 0.0000000 3.0739407 -------------------------- Born effective charges -------------------------- 1 Ba 2.7995602 -0.0000000 0.0000000 0.0000000 2.9394242 0.0000000 0.0000000 0.0000000 2.3890113 2 Ba 2.7995602 -0.0000000 0.0000000 0.0000000 2.9394242 0.0000000 0.0000000 0.0000000 2.3890113 3 Ga 2.5769606 -0.1944331 0.0000000 -0.1079022 2.9948030 0.0000000 0.0000000 0.0000000 2.9308508 4 Ga 2.5769606 0.1944331 0.0000000 0.1079022 2.9948030 0.0000000 0.0000000 0.0000000 2.9308508 5 Ga 2.5769606 0.1944331 0.0000000 0.1079022 2.9948030 0.0000000 0.0000000 0.0000000 2.9308508 6 Ga 2.5769606 -0.1944331 0.0000000 -0.1079022 2.9948030 0.0000000 0.0000000 0.0000000 2.9308508 7 B 2.8559278 -0.4446408 0.0000000 0.3420861 2.7791394 0.0000000 0.0000000 0.0000000 0.9426894 8 B 2.8559278 -0.4446408 0.0000000 0.3420861 2.7791394 0.0000000 0.0000000 0.0000000 0.9426894 9 B 2.8559278 0.4446408 0.0000000 -0.3420861 2.7791394 0.0000000 0.0000000 0.0000000 0.9426894 10 B 2.8559278 0.4446408 0.0000000 -0.3420861 2.7791394 0.0000000 0.0000000 0.0000000 0.9426894 11 O -1.7414673 -0.0000000 0.0000000 0.0000000 -1.6891859 0.1283152 0.0000000 0.1614290 -2.4271031 12 O -3.0847501 -0.0000000 0.0000000 0.0000000 -1.2222085 0.0000000 0.0000000 0.0000000 -0.8712074 13 O -1.7414673 -0.0000000 0.0000000 0.0000000 -1.6891859 -0.1283152 0.0000000 -0.1614290 -2.4271031 14 O -1.8230322 0.2712402 0.0000000 0.0395228 -2.4044043 0.0000000 0.0000000 0.0000000 -1.1249149 15 O -1.7414673 -0.0000000 0.0000000 0.0000000 -1.6891859 0.1283152 0.0000000 0.1614290 -2.4271031 16 O -1.7414673 -0.0000000 0.0000000 0.0000000 -1.6891859 -0.1283152 0.0000000 -0.1614290 -2.4271031 17 O -3.0847501 -0.0000000 0.0000000 0.0000000 -1.2222085 0.0000000 0.0000000 0.0000000 -0.8712074 18 O -1.7257939 0.4598074 0.0000000 0.6721142 -2.5389599 0.0000000 0.0000000 0.0000000 -1.0804242 19 O -1.8230322 0.2712402 0.0000000 0.0395228 -2.4044043 0.0000000 0.0000000 0.0000000 -1.1249149 20 O -1.7257939 -0.4598074 0.0000000 -0.6721142 -2.5389599 0.0000000 0.0000000 0.0000000 -1.0804242 21 O -1.7257939 0.4598074 0.0000000 0.6721142 -2.5389599 0.0000000 0.0000000 0.0000000 -1.0804242 22 O -1.8230322 -0.2712402 0.0000000 -0.0395228 -2.4044043 0.0000000 0.0000000 0.0000000 -1.1249149 23 O -1.8230322 -0.2712402 0.0000000 -0.0395228 -2.4044043 0.0000000 0.0000000 0.0000000 -1.1249149 24 O -1.7257939 -0.4598074 0.0000000 -0.6721142 -2.5389599 0.0000000 0.0000000 0.0000000 -1.0804242 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 9 ] 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: 0.62, Number of G-points: 305, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.563 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.491 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 7.063 ( 0.000 0.000 0.000) 0.000 8.056 ( 0.000 0.000 0.000) 0.000 8.070 ( 0.000 0.000 0.000) 0.000 8.425 ( 0.000 0.000 0.000) 0.000 8.795 ( 0.000 0.000 0.000) 0.000 8.990 ( 0.000 0.000 0.000) 0.000 9.102 ( 0.000 0.000 0.000) 0.000 9.135 ( 0.000 0.000 0.000) 0.000 9.490 ( 0.000 0.000 0.000) 0.000 9.694 ( 0.000 0.000 0.000) 0.000 9.831 ( 0.000 0.000 0.000) 0.000 12.584 ( 0.000 0.000 0.000) 0.000 12.814 ( 0.000 0.000 0.000) 0.000 13.185 ( 0.000 0.000 0.000) 0.000 13.412 ( 0.000 0.000 0.000) 0.000 13.631 ( 0.000 0.000 0.000) 0.000 13.924 ( 0.000 0.000 0.000) 0.000 14.090 ( 0.000 0.000 0.000) 0.000 14.115 ( 0.000 0.000 0.000) 0.000 14.221 ( 0.000 0.000 0.000) 0.000 15.327 ( 0.000 0.000 0.000) 0.000 16.868 ( 0.000 0.000 0.000) 0.000 17.170 ( 0.000 0.000 0.000) 0.000 18.549 ( 0.000 0.000 0.000) 0.000 18.675 ( 0.000 0.000 0.000) 0.000 18.741 ( 0.000 0.000 0.000) 0.000 18.985 ( 0.000 0.000 0.000) 0.000 19.351 ( 0.000 0.000 0.000) 0.000 19.779 ( 0.000 0.000 0.000) 0.000 20.199 ( 0.000 0.000 0.000) 0.000 20.383 ( 0.000 0.000 0.000) 0.000 20.802 ( 0.000 0.000 0.000) 0.000 20.866 ( 0.000 0.000 0.000) 0.000 21.691 ( 0.000 0.000 0.000) 0.000 22.039 ( 0.000 0.000 0.000) 0.000 25.034 ( 0.000 0.000 0.000) 0.000 25.093 ( 0.000 0.000 0.000) 0.000 29.911 ( 0.000 0.000 0.000) 0.000 30.055 ( 0.000 0.000 0.000) 0.000 36.752 ( 0.000 0.000 0.000) 0.000 37.221 ( 0.000 0.000 0.000) 0.000 38.353 ( 0.000 0.000 0.000) 0.000 38.967 ( 0.000 0.000 0.000) 0.000 39.315 ( 0.000 0.000 0.000) 0.000 40.217 ( 0.000 0.000 0.000) 0.000 40.236 ( 0.000 0.000 0.000) 0.000 40.896 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 8.577 -19.628 0.000) 21.421 0.638 ( 14.380 -28.277 0.000) 31.723 1.310 ( 31.211 -53.676 0.000) 62.091 1.612 ( 1.001 -4.594 0.000) 4.702 2.182 ( 3.245 10.538 0.000) 11.026 2.447 ( -2.522 0.316 0.000) 2.542 2.529 ( -0.155 1.172 0.000) 1.182 2.944 ( 0.177 5.843 0.000) 5.846 3.382 ( 20.995 11.483 0.000) 23.930 3.454 ( -2.325 3.123 0.000) 3.893 3.569 ( 3.555 1.132 0.000) 3.731 3.653 ( -5.048 2.438 0.000) 5.606 3.746 ( 8.767 -4.505 0.000) 9.857 4.051 ( 6.876 -16.196 0.000) 17.596 4.081 ( 2.974 5.215 0.000) 6.003 4.259 ( 3.086 -4.427 0.000) 5.396 4.523 ( 1.966 -6.296 0.000) 6.596 4.726 ( 1.288 0.338 0.000) 1.332 5.018 ( -2.918 -1.889 0.000) 3.476 5.147 ( -2.856 -0.933 0.000) 3.004 5.564 ( -4.817 -0.159 0.000) 4.820 5.651 ( 0.982 7.843 0.000) 7.904 5.700 ( 5.729 2.495 0.000) 6.249 5.893 ( 9.020 5.597 0.000) 10.616 6.052 ( 2.413 -7.780 0.000) 8.145 7.023 ( -1.112 4.023 0.000) 4.173 8.037 ( -2.145 0.376 0.000) 2.178 8.083 ( -0.255 -1.734 0.000) 1.752 8.404 ( 2.041 3.940 0.000) 4.438 8.741 ( -5.137 3.363 0.000) 6.140 8.995 ( 0.087 -0.568 0.000) 0.574 9.104 ( -1.609 -1.349 0.000) 2.099 9.111 ( -1.152 4.838 0.000) 4.973 9.490 ( -4.047 -0.311 0.000) 4.059 9.732 ( 2.707 -2.386 0.000) 3.608 11.147 ( -79.252 -55.158 0.000) 96.557 12.569 ( -3.777 -1.362 0.000) 4.015 12.946 ( 4.160 10.531 0.000) 11.323 13.196 ( 0.525 -0.810 0.000) 0.966 13.414 ( 0.150 -0.123 0.000) 0.194 13.654 ( -9.372 -0.979 0.000) 9.423 14.075 ( 0.538 0.278 0.000) 0.605 14.113 ( -0.180 0.154 0.000) 0.237 14.295 ( -1.736 -6.927 0.000) 7.141 14.740 ( 34.770 27.095 0.000) 44.081 15.371 ( 3.461 -1.932 0.000) 3.964 16.860 ( -0.026 0.728 0.000) 0.729 17.271 ( 11.634 11.388 0.000) 16.280 18.547 ( -0.912 -0.470 0.000) 1.026 18.690 ( 0.864 -0.967 0.000) 1.296 18.736 ( 0.491 0.797 0.000) 0.936 18.969 ( -0.479 1.433 0.000) 1.511 19.354 ( -0.027 -0.409 0.000) 0.409 19.782 ( 0.045 -0.301 0.000) 0.304 20.208 ( 1.053 -0.318 0.000) 1.100 20.410 ( -1.005 -1.924 0.000) 2.171 20.818 ( -0.189 -1.891 0.000) 1.900 21.011 ( 16.266 13.763 0.000) 21.307 21.704 ( -0.136 -1.595 0.000) 1.601 22.153 ( -6.685 -1.977 0.000) 6.971 25.059 ( -5.430 -0.263 0.000) 5.436 25.089 ( -0.973 -0.195 0.000) 0.992 29.979 ( 6.367 1.847 0.000) 6.630 30.095 ( 3.215 -2.099 0.000) 3.839 36.784 ( 2.615 -1.700 0.000) 3.119 37.698 ( 50.825 34.636 0.000) 61.505 38.320 ( 0.950 4.302 0.000) 4.406 38.981 ( -1.501 -1.472 0.000) 2.103 40.016 ( -16.921 -0.783 0.000) 16.939 40.433 ( 15.284 -1.104 0.000) 15.324 40.784 ( -13.613 1.833 0.000) 13.736 41.962 ( -42.140 -37.899 0.000) 56.675 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 7.765 -16.388 0.000) 18.135 1.268 ( 13.955 -26.919 0.000) 30.321 1.703 ( 0.579 -3.993 0.000) 4.035 1.970 ( 4.042 14.286 0.000) 14.846 2.407 ( -3.062 -0.210 0.000) 3.069 2.445 ( 20.292 -28.958 0.000) 35.360 2.499 ( -0.556 1.798 0.000) 1.882 2.860 ( 2.215 -4.047 0.000) 4.613 3.331 ( -4.457 5.870 0.000) 7.370 3.433 ( 1.883 0.850 0.000) 2.066 3.568 ( -3.529 1.138 0.000) 3.708 3.646 ( 16.068 1.899 0.000) 16.180 3.946 ( 3.590 -6.910 0.000) 7.787 4.043 ( 3.029 3.840 0.000) 4.891 4.364 ( 3.766 -2.970 0.000) 4.796 4.471 ( 12.601 -19.576 0.000) 23.282 4.637 ( 2.562 0.006 0.000) 2.562 4.747 ( 2.802 0.135 0.000) 2.805 4.993 ( -5.707 -1.229 0.000) 5.838 5.160 ( 3.511 -1.618 0.000) 3.866 5.532 ( -2.576 -1.675 0.000) 3.072 5.547 ( -2.810 3.333 0.000) 4.360 5.708 ( 3.601 3.206 0.000) 4.821 5.834 ( 3.194 10.804 0.000) 11.266 6.254 ( 4.150 -11.100 0.000) 11.850 6.908 ( -2.023 7.556 0.000) 7.822 8.007 ( -2.039 -0.181 0.000) 2.047 8.117 ( -1.265 -3.454 0.000) 3.678 8.352 ( 3.283 6.012 0.000) 6.850 8.608 ( -7.076 2.646 0.000) 7.555 9.008 ( 0.436 -0.520 0.000) 0.679 9.029 ( 2.473 5.321 0.000) 5.868 9.106 ( -2.249 -1.722 0.000) 2.833 9.379 ( -8.445 3.948 0.000) 9.322 9.789 ( -2.172 -2.994 0.000) 3.698 11.087 ( -27.950 -18.021 0.000) 33.256 12.550 ( -3.558 -1.845 0.000) 4.008 12.810 ( -2.189 6.172 0.000) 6.549 13.226 ( 1.576 -1.554 0.000) 2.213 13.419 ( 0.190 -0.156 0.000) 0.246 13.536 ( -5.693 3.509 0.000) 6.688 14.099 ( 1.425 -1.143 0.000) 1.827 14.107 ( -0.228 0.194 0.000) 0.299 14.350 ( -1.621 -2.191 0.000) 2.726 14.751 ( 14.190 8.192 0.000) 16.385 15.445 ( 3.034 -1.653 0.000) 3.455 16.855 ( 1.356 0.566 0.000) 1.469 17.205 ( 2.507 6.954 0.000) 7.392 18.545 ( -1.010 -0.719 0.000) 1.240 18.706 ( 0.362 0.589 0.000) 0.691 18.747 ( 1.496 -1.290 0.000) 1.975 18.929 ( -0.894 2.382 0.000) 2.544 19.362 ( -0.029 -0.497 0.000) 0.498 19.789 ( 0.054 -0.360 0.000) 0.364 20.233 ( 1.686 -0.620 0.000) 1.797 20.435 ( -0.019 -1.701 0.000) 1.701 20.849 ( -1.337 -2.641 0.000) 2.960 20.974 ( 6.584 7.386 0.000) 9.895 21.733 ( -0.210 -1.893 0.000) 1.904 22.097 ( -3.548 0.707 0.000) 3.618 24.987 ( -3.464 1.892 0.000) 3.947 25.077 ( -1.863 -0.476 0.000) 1.923 30.039 ( 4.484 -0.636 0.000) 4.529 30.180 ( 3.732 -2.352 0.000) 4.411 36.855 ( 3.370 -1.997 0.000) 3.917 37.769 ( 20.296 9.838 0.000) 22.555 38.253 ( 1.036 4.818 0.000) 4.928 38.969 ( -2.589 0.096 0.000) 2.591 39.850 ( -11.742 -0.851 0.000) 11.773 40.566 ( -13.176 1.017 0.000) 13.215 40.622 ( 11.233 0.379 0.000) 11.239 42.069 ( -11.164 -13.890 0.000) 17.821 ======================= Grid point 3 (4/80) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 4.078 -7.874 0.000) 8.868 1.727 ( -0.877 0.285 0.000) 0.922 1.747 ( -0.161 -5.341 0.000) 5.343 1.880 ( 12.990 -6.031 0.000) 14.322 2.404 ( -0.546 -2.203 0.000) 2.270 2.445 ( -5.080 12.449 0.000) 13.445 2.457 ( -0.851 2.215 0.000) 2.373 3.205 ( -2.264 3.030 0.000) 3.782 3.243 ( 2.615 -5.163 0.000) 5.787 3.527 ( -1.163 0.409 0.000) 1.233 3.594 ( 3.208 -16.632 0.000) 16.938 3.829 ( 12.795 -2.289 0.000) 12.998 4.028 ( 1.264 1.290 0.000) 1.806 4.088 ( 2.140 -11.109 0.000) 11.313 4.436 ( 1.835 -1.154 0.000) 2.168 4.467 ( -5.590 17.485 0.000) 18.357 4.786 ( 3.107 -0.109 0.000) 3.109 4.930 ( -4.849 0.062 0.000) 4.849 4.940 ( 10.797 -16.580 0.000) 19.785 5.225 ( 0.771 2.898 0.000) 2.999 5.479 ( -0.794 1.419 0.000) 1.626 5.546 ( -0.687 -1.616 0.000) 1.756 5.670 ( -1.124 7.199 0.000) 7.286 5.692 ( 1.261 1.885 0.000) 2.268 6.490 ( 3.795 -10.777 0.000) 11.426 6.734 ( -2.799 9.455 0.000) 9.861 7.998 ( -0.416 -0.384 0.000) 0.567 8.157 ( -1.425 -2.892 0.000) 3.224 8.299 ( 2.254 3.975 0.000) 4.569 8.508 ( -3.549 1.003 0.000) 3.688 9.020 ( 0.367 -0.165 0.000) 0.402 9.031 ( 7.821 1.021 0.000) 7.887 9.105 ( -1.144 -0.789 0.000) 1.390 9.184 ( -10.876 4.243 0.000) 11.674 9.785 ( -2.583 -1.103 0.000) 2.808 11.066 ( -6.615 -4.633 0.000) 8.076 12.541 ( -1.186 -0.549 0.000) 1.306 12.720 ( -1.564 1.628 0.000) 2.257 13.289 ( 2.495 -2.733 0.000) 3.700 13.415 ( -3.777 3.710 0.000) 5.294 13.423 ( 0.086 -0.070 0.000) 0.111 14.102 ( -0.102 0.087 0.000) 0.134 14.129 ( 0.674 -0.586 0.000) 0.893 14.350 ( -0.282 0.056 0.000) 0.288 14.788 ( 3.913 1.421 0.000) 4.163 15.490 ( 1.086 -0.628 0.000) 1.255 16.873 ( 1.495 -0.118 0.000) 1.500 17.126 ( -0.523 2.995 0.000) 3.041 18.545 ( -0.433 -0.375 0.000) 0.572 18.696 ( 0.153 0.541 0.000) 0.562 18.797 ( 1.264 -2.005 0.000) 2.370 18.876 ( -1.005 2.258 0.000) 2.471 19.368 ( -0.012 -0.217 0.000) 0.217 19.794 ( 0.023 -0.155 0.000) 0.157 20.260 ( 0.927 -0.395 0.000) 1.008 20.457 ( 0.088 -0.700 0.000) 0.705 20.865 ( -1.423 -1.428 0.000) 2.016 20.942 ( 2.500 2.972 0.000) 3.883 21.754 ( -0.107 -0.810 0.000) 0.817 22.057 ( -1.148 0.482 0.000) 1.246 24.931 ( -1.245 0.980 0.000) 1.584 25.064 ( -0.953 -0.213 0.000) 0.977 30.091 ( 1.816 -0.563 0.000) 1.901 30.243 ( 1.556 -0.948 0.000) 1.822 36.912 ( 1.522 -0.818 0.000) 1.728 37.848 ( 6.474 1.458 0.000) 6.636 38.200 ( 0.257 2.201 0.000) 2.216 38.928 ( -1.663 0.866 0.000) 1.875 39.767 ( -4.111 -0.672 0.000) 4.166 40.420 ( -5.225 1.103 0.000) 5.340 40.730 ( 4.287 -0.416 0.000) 4.307 42.132 ( -2.553 -3.830 0.000) 4.603 ======================= Grid point 8 (5/80) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 18.072 0.000 0.000) 18.072 0.896 ( 34.735 0.000 0.000) 34.735 1.320 ( 52.779 0.000 0.000) 52.779 1.590 ( 1.970 0.000 0.000) 1.970 2.266 ( 0.578 0.000 0.000) 0.578 2.401 ( -5.164 -0.000 0.000) 5.164 2.538 ( -0.124 -0.000 0.000) 0.124 3.079 ( 6.599 0.000 0.000) 6.599 3.451 ( -2.696 -0.000 0.000) 2.696 3.569 ( -10.161 -0.000 0.000) 10.161 3.726 ( 2.881 0.000 0.000) 2.881 3.792 ( 6.145 0.000 0.000) 6.145 3.824 ( 25.112 0.000 0.000) 25.112 4.076 ( 18.003 0.000 0.000) 18.003 4.189 ( 2.696 0.000 0.000) 2.696 4.263 ( 6.826 0.000 0.000) 6.826 4.454 ( 0.913 0.000 0.000) 0.913 4.750 ( 2.293 0.000 0.000) 2.293 4.956 ( -4.507 -0.000 0.000) 4.507 5.122 ( 2.186 0.000 0.000) 2.186 5.502 ( -4.593 -0.000 0.000) 4.593 5.710 ( -8.570 -0.000 0.000) 8.570 5.813 ( 7.252 0.000 0.000) 7.252 6.014 ( 3.279 0.000 0.000) 3.279 6.090 ( 5.516 0.000 0.000) 5.516 7.038 ( -1.897 -0.000 0.000) 1.897 7.975 ( -7.319 -0.000 0.000) 7.319 8.069 ( -0.053 -0.000 0.000) 0.053 8.473 ( 3.665 0.000 0.000) 3.665 8.669 ( -14.096 -0.000 0.000) 14.096 8.990 ( -0.018 -0.000 0.000) 0.018 9.061 ( -3.247 -0.000 0.000) 3.247 9.105 ( -0.228 -0.000 0.000) 0.228 9.481 ( -7.330 -0.000 0.000) 7.330 9.517 ( 0.288 0.000 0.000) 0.288 10.202 ( 18.469 0.000 0.000) 18.469 12.467 ( -8.501 -0.000 0.000) 8.501 13.002 ( -7.056 -0.000 0.000) 7.056 13.215 ( 2.742 0.000 0.000) 2.742 13.416 ( 0.278 0.000 0.000) 0.278 13.619 ( -2.029 -0.000 0.000) 2.029 14.084 ( 0.429 0.000 0.000) 0.429 14.111 ( -0.344 -0.000 0.000) 0.344 14.206 ( -0.317 -0.000 0.000) 0.317 14.998 ( -12.396 -0.000 0.000) 12.396 15.550 ( 14.788 0.000 0.000) 14.788 16.837 ( -2.648 -0.000 0.000) 2.648 17.463 ( -4.179 -0.000 0.000) 4.179 18.527 ( -1.504 -0.000 0.000) 1.504 18.698 ( 1.615 0.000 0.000) 1.615 18.751 ( 0.755 0.000 0.000) 0.755 18.973 ( -0.938 -0.000 0.000) 0.938 19.350 ( -0.055 -0.000 0.000) 0.055 19.780 ( 0.091 0.000 0.000) 0.091 20.198 ( -0.162 -0.000 0.000) 0.162 20.399 ( 1.309 0.000 0.000) 1.309 20.800 ( -0.523 -0.000 0.000) 0.523 21.316 ( -4.454 -0.000 0.000) 4.454 21.674 ( -1.052 -0.000 0.000) 1.052 22.010 ( -2.369 -0.000 0.000) 2.369 24.994 ( -2.915 -0.000 0.000) 2.915 25.093 ( 0.395 0.000 0.000) 0.395 30.087 ( 4.268 0.000 0.000) 4.268 30.140 ( 6.341 0.000 0.000) 6.341 36.798 ( 3.657 0.000 0.000) 3.657 38.363 ( 0.913 0.000 0.000) 0.913 38.933 ( -2.755 -0.000 0.000) 2.755 39.206 ( -7.801 -0.000 0.000) 7.801 39.640 ( -13.356 -0.000 0.000) 13.356 40.195 ( -3.155 -0.000 0.000) 3.155 40.753 ( 11.853 0.000 0.000) 11.853 41.027 ( 9.565 0.000 0.000) 9.565 ======================= Grid point 9 (6/80) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 15.293 -10.218 0.000) 18.393 1.311 ( 30.240 -4.551 0.000) 30.581 1.650 ( 1.797 -3.693 0.000) 4.107 2.105 ( 16.414 -5.470 0.000) 17.301 2.320 ( 21.828 -16.115 0.000) 27.132 2.335 ( -6.376 -1.122 0.000) 6.474 2.523 ( -0.268 1.518 0.000) 1.541 3.077 ( 8.657 11.685 0.000) 14.542 3.347 ( -6.760 4.953 0.000) 8.380 3.491 ( -6.024 -3.002 0.000) 6.731 3.643 ( 4.403 13.663 0.000) 14.355 3.832 ( 6.245 -4.115 0.000) 7.478 4.039 ( 20.662 10.909 0.000) 23.366 4.164 ( 2.644 5.075 0.000) 5.723 4.379 ( 6.029 -2.237 0.000) 6.430 4.437 ( 22.226 -11.474 0.000) 25.013 4.603 ( 4.456 -8.707 0.000) 9.781 4.784 ( 3.083 -0.027 0.000) 3.083 4.905 ( -5.278 -1.010 0.000) 5.374 5.172 ( 3.540 -2.155 0.000) 4.144 5.466 ( -3.182 -1.778 0.000) 3.645 5.545 ( -7.384 4.534 0.000) 8.665 5.834 ( 5.032 5.568 0.000) 7.505 6.069 ( 4.483 10.097 0.000) 11.047 6.149 ( 4.973 -8.700 0.000) 10.021 6.979 ( -2.235 4.082 0.000) 4.654 7.896 ( -9.557 -3.729 0.000) 10.258 8.073 ( -0.471 -0.782 0.000) 0.913 8.486 ( 4.260 4.307 0.000) 6.058 8.490 ( -13.691 -0.580 0.000) 13.703 8.991 ( -1.219 -0.636 0.000) 1.375 9.040 ( -2.544 -2.452 0.000) 3.533 9.114 ( 2.189 1.191 0.000) 2.492 9.412 ( -3.847 6.229 0.000) 7.321 9.567 ( -8.456 -10.767 0.000) 13.691 10.597 ( 7.799 -18.723 0.000) 20.282 12.398 ( -8.563 -4.880 0.000) 9.856 12.858 ( -7.082 4.943 0.000) 8.637 13.259 ( 4.975 0.243 0.000) 4.981 13.420 ( 0.289 -0.058 0.000) 0.295 13.548 ( -4.029 3.371 0.000) 5.253 14.105 ( 1.905 -0.525 0.000) 1.976 14.106 ( -0.371 0.067 0.000) 0.377 14.260 ( -0.089 -5.009 0.000) 5.010 14.808 ( -13.309 1.395 0.000) 13.382 15.674 ( 17.413 7.744 0.000) 19.057 16.819 ( -3.497 -2.418 0.000) 4.252 17.330 ( -4.007 7.206 0.000) 8.245 18.515 ( -1.485 -0.779 0.000) 1.677 18.723 ( 1.700 -0.221 0.000) 1.715 18.756 ( 1.018 0.372 0.000) 1.084 18.947 ( -1.316 1.404 0.000) 1.925 19.353 ( -0.055 -0.431 0.000) 0.434 19.784 ( 0.101 -0.271 0.000) 0.289 20.213 ( -0.569 -1.960 0.000) 2.041 20.426 ( 1.656 -0.812 0.000) 1.844 20.794 ( -2.418 -1.159 0.000) 2.682 21.172 ( -0.133 8.372 0.000) 8.373 21.691 ( -0.688 -2.541 0.000) 2.632 22.008 ( -4.972 -3.141 0.000) 5.881 24.956 ( -3.337 0.138 0.000) 3.340 25.087 ( 1.243 1.577 0.000) 2.008 30.123 ( 5.525 2.159 0.000) 5.932 30.228 ( 6.774 -0.170 0.000) 6.776 36.864 ( 4.148 -1.504 0.000) 4.413 38.318 ( 2.802 8.487 0.000) 8.937 38.534 ( 13.488 37.951 0.000) 40.276 38.915 ( -3.614 -1.892 0.000) 4.079 39.606 ( -15.899 -6.453 0.000) 17.159 40.324 ( -13.292 -10.256 0.000) 16.789 40.840 ( 13.778 4.740 0.000) 14.571 41.509 ( -3.083 -32.102 0.000) 32.250 ======================= Grid point 10 (7/80) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 10.978 -8.434 0.000) 13.844 1.657 ( 5.769 -2.938 0.000) 6.474 1.712 ( -0.117 -1.600 0.000) 1.604 2.077 ( 12.771 6.382 0.000) 14.277 2.313 ( -4.245 -4.948 0.000) 6.520 2.483 ( -0.729 2.421 0.000) 2.529 2.770 ( 7.419 16.645 0.000) 18.224 3.170 ( 17.490 -14.793 0.000) 22.907 3.197 ( -5.892 2.570 0.000) 6.428 3.486 ( -2.672 -2.496 0.000) 3.656 3.580 ( 10.048 1.775 0.000) 10.203 3.942 ( -1.052 -4.801 0.000) 4.915 4.100 ( 18.976 9.008 0.000) 21.006 4.106 ( 1.724 5.041 0.000) 5.328 4.456 ( 3.020 0.018 0.000) 3.020 4.650 ( -1.074 7.880 0.000) 7.953 4.795 ( -2.253 0.556 0.000) 2.321 4.878 ( 17.032 -10.616 0.000) 20.069 4.893 ( 1.505 -1.953 0.000) 2.466 5.255 ( 1.331 -0.832 0.000) 1.570 5.426 ( -6.107 -0.476 0.000) 6.126 5.484 ( -1.487 -3.562 0.000) 3.860 5.783 ( 2.509 5.871 0.000) 6.384 5.862 ( -0.639 16.154 0.000) 16.167 6.370 ( 4.777 -10.235 0.000) 11.295 6.850 ( -2.464 8.097 0.000) 8.463 7.874 ( -8.691 -6.846 0.000) 11.064 8.086 ( -1.183 -2.246 0.000) 2.538 8.384 ( -9.471 -4.566 0.000) 10.514 8.438 ( 3.398 7.054 0.000) 7.830 8.983 ( -2.963 -1.910 0.000) 3.526 9.074 ( 0.384 -2.580 0.000) 2.609 9.129 ( 1.144 1.233 0.000) 1.682 9.217 ( -1.422 8.863 0.000) 8.976 9.653 ( -3.044 -8.432 0.000) 8.965 10.927 ( 6.276 -11.644 0.000) 13.228 12.417 ( -6.017 -7.547 0.000) 9.652 12.721 ( -4.094 2.338 0.000) 4.715 13.331 ( 7.606 0.116 0.000) 7.607 13.424 ( 0.171 -0.005 0.000) 0.171 13.438 ( -3.613 3.916 0.000) 5.328 14.101 ( -0.236 -0.006 0.000) 0.236 14.130 ( 0.796 -0.258 0.000) 0.837 14.324 ( -0.363 -2.189 0.000) 2.219 14.657 ( -15.145 -4.140 0.000) 15.700 15.725 ( 15.923 10.755 0.000) 19.215 16.820 ( -4.724 -3.132 0.000) 5.668 17.171 ( -3.916 5.182 0.000) 6.495 18.517 ( -1.109 -1.420 0.000) 1.801 18.729 ( 1.411 1.682 0.000) 2.195 18.781 ( 1.158 -1.586 0.000) 1.964 18.899 ( -1.518 2.241 0.000) 2.707 19.361 ( -0.029 -0.531 0.000) 0.531 19.790 ( 0.064 -0.302 0.000) 0.308 20.236 ( -1.337 -1.836 0.000) 2.271 20.459 ( 1.543 -0.552 0.000) 1.639 20.779 ( -4.481 -2.447 0.000) 5.106 21.067 ( 1.778 5.970 0.000) 6.229 21.729 ( 0.119 -2.230 0.000) 2.233 21.997 ( -4.403 -2.886 0.000) 5.265 24.917 ( -2.111 0.062 0.000) 2.112 25.086 ( 2.711 1.287 0.000) 3.001 30.145 ( 3.753 2.497 0.000) 4.508 30.289 ( 4.555 1.532 0.000) 4.806 36.921 ( 2.198 -0.144 0.000) 2.203 38.158 ( 10.008 18.319 0.000) 20.874 38.287 ( 1.604 8.873 0.000) 9.017 38.900 ( -2.599 -1.159 0.000) 2.846 39.568 ( -10.446 -9.346 0.000) 14.017 40.319 ( -5.449 -5.718 0.000) 7.898 40.893 ( 9.538 7.048 0.000) 11.859 41.865 ( -5.669 -19.170 0.000) 19.990 ======================= Grid point 11 (8/80) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 2.750 3.775 0.000) 4.670 1.577 ( -12.178 -1.797 0.000) 12.309 1.727 ( 0.939 -1.278 0.000) 1.586 2.129 ( 4.836 16.395 0.000) 17.093 2.378 ( -1.645 -5.417 0.000) 5.661 2.442 ( -0.207 0.861 0.000) 0.885 2.594 ( 17.312 10.287 0.000) 20.138 3.151 ( -1.890 -3.213 0.000) 3.728 3.352 ( 4.878 4.172 0.000) 6.419 3.507 ( -0.424 -2.414 0.000) 2.451 3.692 ( -1.186 2.855 0.000) 3.092 3.993 ( 5.012 9.061 0.000) 10.355 4.043 ( 0.048 3.755 0.000) 3.755 4.250 ( 5.092 1.976 0.000) 5.462 4.358 ( 3.432 10.017 0.000) 10.589 4.448 ( -0.827 2.255 0.000) 2.402 4.748 ( -2.952 0.321 0.000) 2.970 4.979 ( 5.286 -2.278 0.000) 5.756 5.073 ( -5.211 8.891 0.000) 10.306 5.185 ( -0.385 0.440 0.000) 0.585 5.391 ( -4.367 -4.065 0.000) 5.966 5.529 ( -0.670 -3.063 0.000) 3.135 5.660 ( -0.024 4.363 0.000) 4.363 5.713 ( 0.501 4.548 0.000) 4.575 6.577 ( 2.945 -5.967 0.000) 6.655 6.668 ( -2.298 7.219 0.000) 7.576 7.897 ( -6.473 -7.178 0.000) 9.666 8.124 ( -1.119 -4.225 0.000) 4.371 8.346 ( 1.482 7.456 0.000) 7.602 8.422 ( -2.696 -8.537 0.000) 8.953 8.977 ( -5.895 4.453 0.000) 7.388 8.985 ( -2.166 -2.060 0.000) 2.989 9.119 ( 1.379 -1.309 0.000) 1.901 9.294 ( 12.501 -1.825 0.000) 12.634 9.750 ( -0.731 -5.062 0.000) 5.114 11.177 ( 11.924 -7.171 0.000) 13.914 12.471 ( -3.794 -5.615 0.000) 6.777 12.697 ( -0.389 -2.445 0.000) 2.475 13.335 ( -1.924 4.146 0.000) 4.571 13.424 ( 0.012 0.121 0.000) 0.121 13.449 ( 10.436 -0.957 0.000) 10.480 14.101 ( -0.041 -0.164 0.000) 0.169 14.131 ( -0.483 0.442 0.000) 0.655 14.310 ( -6.530 -1.444 0.000) 6.688 14.567 ( -13.590 -5.521 0.000) 14.668 15.704 ( 11.516 12.331 0.000) 16.872 16.795 ( -6.468 -2.613 0.000) 6.976 17.094 ( -1.866 0.001 0.000) 1.866 18.532 ( -0.526 -1.552 0.000) 1.639 18.716 ( 1.240 1.693 0.000) 2.098 18.810 ( -0.431 0.551 0.000) 0.699 18.856 ( -0.299 -0.333 0.000) 0.448 19.368 ( -0.002 -0.245 0.000) 0.245 19.794 ( 0.014 -0.092 0.000) 0.093 20.232 ( -2.555 -0.608 0.000) 2.626 20.476 ( 1.179 0.483 0.000) 1.274 20.778 ( -4.408 -4.181 0.000) 6.075 21.004 ( 1.929 4.962 0.000) 5.324 21.760 ( 0.763 -0.669 0.000) 1.015 22.007 ( -2.661 -3.867 0.000) 4.694 24.915 ( -0.148 -1.636 0.000) 1.643 25.108 ( 3.651 1.081 0.000) 3.808 30.122 ( 0.652 3.682 0.000) 3.740 30.283 ( 1.460 3.582 0.000) 3.868 36.914 ( -0.905 1.937 0.000) 2.138 37.966 ( 2.770 15.643 0.000) 15.886 38.203 ( -0.013 2.744 0.000) 2.744 38.913 ( 0.470 -2.425 0.000) 2.470 39.654 ( -4.326 -11.599 0.000) 12.379 40.411 ( 3.344 -7.100 0.000) 7.848 40.829 ( 3.278 10.220 0.000) 10.733 42.045 ( -3.957 -10.989 0.000) 11.680 ======================= Grid point 12 (9/80) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -1.860 14.968 0.000) 15.083 1.571 ( -10.197 -12.343 0.000) 16.010 1.720 ( -0.243 26.864 0.000) 26.865 1.752 ( 0.745 1.311 0.000) 1.507 2.413 ( 0.210 -1.611 0.000) 1.624 2.472 ( 0.312 -2.583 0.000) 2.602 2.718 ( 14.420 9.926 0.000) 17.506 3.156 ( -3.678 26.400 0.000) 26.655 3.247 ( 0.991 -8.121 0.000) 8.181 3.412 ( -18.117 10.181 0.000) 20.782 3.554 ( 0.775 -2.978 0.000) 3.077 3.735 ( 10.749 16.538 0.000) 19.724 3.994 ( -1.065 1.070 0.000) 1.510 4.058 ( -0.916 11.451 0.000) 11.488 4.382 ( -1.733 3.260 0.000) 3.692 4.563 ( 2.353 -4.992 0.000) 5.518 4.685 ( -9.665 17.784 0.000) 20.241 4.719 ( -1.366 0.071 0.000) 1.367 5.064 ( 3.831 -0.458 0.000) 3.859 5.147 ( -1.783 1.284 0.000) 2.197 5.462 ( -1.824 -6.588 0.000) 6.836 5.563 ( 0.590 -1.383 0.000) 1.503 5.657 ( -1.251 1.666 0.000) 2.083 5.691 ( 0.397 -5.220 0.000) 5.235 6.416 ( -1.813 12.860 0.000) 12.987 6.788 ( 1.284 -9.361 0.000) 9.448 7.953 ( -2.193 -5.814 0.000) 6.214 8.190 ( 1.240 -2.117 0.000) 2.454 8.247 ( -1.771 2.711 0.000) 3.238 8.559 ( 0.677 -8.581 0.000) 8.607 8.923 ( -1.689 -3.146 0.000) 3.571 8.995 ( -0.833 -1.174 0.000) 1.440 9.144 ( 1.127 0.257 0.000) 1.156 9.482 ( 12.239 -1.370 0.000) 12.316 9.764 ( -5.674 -0.954 0.000) 5.754 11.505 ( 21.533 -8.641 0.000) 23.202 12.502 ( -3.928 -3.945 0.000) 5.568 12.763 ( 1.390 -3.641 0.000) 3.897 13.260 ( -0.492 2.956 0.000) 2.997 13.421 ( -0.063 0.220 0.000) 0.229 13.626 ( 16.423 -1.153 0.000) 16.463 14.097 ( -4.153 0.853 0.000) 4.239 14.105 ( 0.064 -0.286 0.000) 0.293 14.228 ( -17.125 -6.349 0.000) 18.264 14.486 ( -6.620 0.512 0.000) 6.640 15.603 ( 5.019 11.831 0.000) 12.851 16.780 ( -3.695 -3.586 0.000) 5.149 17.097 ( -2.110 -2.475 0.000) 3.252 18.551 ( 0.054 -0.902 0.000) 0.904 18.709 ( 0.901 0.654 0.000) 1.113 18.761 ( -1.358 2.468 0.000) 2.817 18.894 ( 0.413 -2.685 0.000) 2.716 19.368 ( 0.008 0.196 0.000) 0.196 19.793 ( -0.012 0.204 0.000) 0.205 20.205 ( -2.277 -0.158 0.000) 2.283 20.471 ( 0.813 1.539 0.000) 1.741 20.802 ( -3.502 -4.165 0.000) 5.442 20.942 ( 0.795 4.673 0.000) 4.740 21.764 ( 0.530 1.244 0.000) 1.353 22.062 ( -0.344 -4.965 0.000) 4.977 24.966 ( 1.138 -3.594 0.000) 3.770 25.129 ( 2.745 1.353 0.000) 3.060 30.049 ( -1.198 4.325 0.000) 4.488 30.216 ( -0.605 4.799 0.000) 4.837 36.849 ( -2.544 2.859 0.000) 3.827 37.710 ( -3.509 14.502 0.000) 14.921 38.192 ( -0.302 -1.523 0.000) 1.552 38.972 ( 1.364 -2.435 0.000) 2.790 39.831 ( 1.198 -12.002 0.000) 12.062 40.611 ( 6.995 -7.837 0.000) 10.505 40.649 ( -1.851 11.833 0.000) 11.977 42.161 ( 0.124 -6.870 0.000) 6.871 ======================= Grid point 13 (10/80) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.000 20.239 0.000) 20.239 1.155 ( 0.000 34.148 0.000) 34.148 1.694 ( 0.000 5.318 0.000) 5.318 1.866 ( -0.000 -21.184 0.000) 21.184 2.101 ( 0.000 58.210 0.000) 58.210 2.446 ( -0.000 -1.587 0.000) 1.587 2.507 ( -0.000 -1.569 0.000) 1.569 2.973 ( 0.000 2.105 0.000) 2.105 3.174 ( 0.000 2.585 0.000) 2.585 3.390 ( -0.000 -6.945 0.000) 6.945 3.619 ( -0.000 -4.048 0.000) 4.048 3.680 ( 0.000 3.892 0.000) 3.892 3.783 ( 0.000 15.507 0.000) 15.507 3.997 ( -0.000 -2.536 0.000) 2.536 4.311 ( 0.000 3.948 0.000) 3.948 4.313 ( 0.000 18.504 0.000) 18.504 4.590 ( 0.000 3.098 0.000) 3.098 4.712 ( -0.000 -0.243 0.000) 0.243 5.073 ( 0.000 1.994 0.000) 1.994 5.150 ( -0.000 -1.693 0.000) 1.693 5.548 ( -0.000 -5.421 0.000) 5.421 5.605 ( -0.000 -2.242 0.000) 2.242 5.621 ( 0.000 0.732 0.000) 0.732 5.776 ( -0.000 -4.547 0.000) 4.547 6.198 ( 0.000 11.623 0.000) 11.623 6.935 ( -0.000 -7.403 0.000) 7.403 8.018 ( -0.000 -3.125 0.000) 3.125 8.137 ( 0.000 4.569 0.000) 4.569 8.305 ( -0.000 -6.182 0.000) 6.182 8.694 ( -0.000 -6.375 0.000) 6.375 9.000 ( -0.000 -0.032 0.000) 0.032 9.003 ( -0.000 -6.902 0.000) 6.902 9.137 ( 0.000 1.355 0.000) 1.355 9.582 ( 0.000 2.147 0.000) 2.147 9.694 ( 0.000 0.234 0.000) 0.234 11.903 ( -0.000 -13.543 0.000) 13.543 12.515 ( -0.000 -2.899 0.000) 2.899 12.814 ( -0.000 -1.229 0.000) 1.229 13.222 ( 0.000 1.849 0.000) 1.849 13.416 ( 0.000 0.220 0.000) 0.220 13.880 ( -0.000 -1.869 0.000) 1.869 13.983 ( -0.000 -4.577 0.000) 4.577 14.110 ( -0.000 -0.280 0.000) 0.280 14.144 ( -0.000 -0.896 0.000) 0.896 14.403 ( 0.000 4.793 0.000) 4.793 15.460 ( 0.000 8.440 0.000) 8.440 16.817 ( -0.000 -3.156 0.000) 3.156 17.118 ( -0.000 -2.398 0.000) 2.398 18.558 ( 0.000 0.116 0.000) 0.116 18.712 ( 0.000 2.095 0.000) 2.095 18.718 ( -0.000 -0.771 0.000) 0.771 18.940 ( -0.000 -2.421 0.000) 2.421 19.362 ( 0.000 0.483 0.000) 0.483 19.788 ( 0.000 0.384 0.000) 0.384 20.193 ( -0.000 -0.253 0.000) 0.253 20.450 ( 0.000 1.687 0.000) 1.687 20.827 ( -0.000 -2.350 0.000) 2.350 20.873 ( 0.000 4.012 0.000) 4.012 21.737 ( 0.000 2.123 0.000) 2.123 22.146 ( -0.000 -4.560 0.000) 4.560 25.041 ( -0.000 -3.907 0.000) 3.907 25.125 ( 0.000 1.226 0.000) 1.226 29.970 ( 0.000 3.575 0.000) 3.575 30.131 ( 0.000 4.295 0.000) 4.295 36.783 ( 0.000 2.245 0.000) 2.245 37.442 ( 0.000 12.710 0.000) 12.710 38.240 ( -0.000 -4.339 0.000) 4.339 39.004 ( -0.000 -0.155 0.000) 0.155 40.047 ( -0.000 -10.903 0.000) 10.903 40.420 ( 0.000 11.647 0.000) 11.647 40.790 ( -0.000 -6.481 0.000) 6.481 42.282 ( -0.000 -5.732 0.000) 5.732 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 18.065 0.000 0.000) 18.065 1.603 ( 19.977 0.000 0.000) 19.977 1.639 ( 1.509 0.000 0.000) 1.509 2.231 ( -8.373 -0.000 0.000) 8.373 2.304 ( 5.704 0.000 0.000) 5.704 2.485 ( 40.066 0.000 0.000) 40.066 2.535 ( -0.044 -0.000 0.000) 0.044 3.281 ( 9.797 0.000 0.000) 9.797 3.303 ( -10.547 -0.000 0.000) 10.547 3.387 ( -2.239 -0.000 0.000) 2.239 3.661 ( -9.214 -0.000 0.000) 9.214 3.994 ( 8.868 0.000 0.000) 8.868 4.226 ( 0.435 0.000 0.000) 0.435 4.446 ( 7.157 0.000 0.000) 7.157 4.522 ( 15.461 0.000 0.000) 15.461 4.533 ( 17.127 0.000 0.000) 17.127 4.601 ( 23.939 0.000 0.000) 23.939 4.825 ( 3.393 0.000 0.000) 3.393 4.834 ( -4.783 -0.000 0.000) 4.783 5.186 ( 2.583 0.000 0.000) 2.583 5.410 ( -2.978 -0.000 0.000) 2.978 5.482 ( -9.387 -0.000 0.000) 9.387 5.978 ( 5.872 0.000 0.000) 5.872 6.105 ( 3.788 0.000 0.000) 3.788 6.224 ( 5.226 0.000 0.000) 5.226 6.986 ( -2.061 -0.000 0.000) 2.061 7.713 ( -12.851 -0.000 0.000) 12.851 8.067 ( -0.095 -0.000 0.000) 0.095 8.304 ( -14.167 -0.000 0.000) 14.167 8.581 ( 4.726 0.000 0.000) 4.726 8.958 ( -4.871 -0.000 0.000) 4.871 8.989 ( -0.022 -0.000 0.000) 0.022 9.115 ( -2.173 -0.000 0.000) 2.173 9.422 ( 4.557 0.000 0.000) 4.557 9.457 ( -4.943 -0.000 0.000) 4.943 10.604 ( 13.247 0.000 0.000) 13.247 12.244 ( -8.448 -0.000 0.000) 8.448 12.797 ( -8.516 -0.000 0.000) 8.516 13.343 ( 8.286 0.000 0.000) 8.286 13.423 ( 0.287 0.000 0.000) 0.287 13.516 ( -5.374 -0.000 0.000) 5.374 14.101 ( -0.388 -0.000 0.000) 0.388 14.136 ( 3.347 0.000 0.000) 3.347 14.227 ( 1.749 0.000 0.000) 1.749 14.607 ( -18.925 -0.000 0.000) 18.925 15.962 ( 17.692 0.000 0.000) 17.692 16.736 ( -5.391 -0.000 0.000) 5.391 17.313 ( -7.897 -0.000 0.000) 7.897 18.490 ( -1.356 -0.000 0.000) 1.356 18.742 ( 1.736 0.000 0.000) 1.736 18.775 ( 1.145 0.000 0.000) 1.145 18.941 ( -1.616 -0.000 0.000) 1.616 19.348 ( -0.064 -0.000 0.000) 0.064 19.783 ( 0.116 0.000 0.000) 0.116 20.183 ( -1.106 -0.000 0.000) 1.106 20.443 ( 2.040 0.000 0.000) 2.040 20.744 ( -4.596 -0.000 0.000) 4.596 21.207 ( -3.339 -0.000 0.000) 3.339 21.661 ( 0.410 0.000 0.000) 0.410 21.926 ( -4.376 -0.000 0.000) 4.376 24.919 ( -2.753 -0.000 0.000) 2.753 25.126 ( 2.236 0.000 0.000) 2.236 30.208 ( 4.934 0.000 0.000) 4.934 30.317 ( 7.142 0.000 0.000) 7.142 36.914 ( 5.387 0.000 0.000) 5.387 38.403 ( 2.430 0.000 0.000) 2.430 38.843 ( -4.172 -0.000 0.000) 4.172 39.001 ( -7.951 -0.000 0.000) 7.951 39.311 ( -12.677 -0.000 0.000) 12.677 40.083 ( -5.221 -0.000 0.000) 5.221 41.043 ( 10.619 0.000 0.000) 10.619 41.286 ( 10.247 0.000 0.000) 10.247 ======================= Grid point 17 (12/80) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 15.290 -4.316 0.000) 15.888 1.671 ( -0.910 -2.388 0.000) 2.555 1.733 ( 2.130 3.774 0.000) 4.333 2.162 ( -6.972 -4.299 0.000) 8.191 2.383 ( 18.787 5.306 0.000) 19.522 2.517 ( -0.239 2.109 0.000) 2.122 2.939 ( 11.890 -3.014 0.000) 12.266 3.159 ( -6.929 2.493 0.000) 7.364 3.358 ( 16.408 3.856 0.000) 16.855 3.400 ( -2.015 -3.576 0.000) 4.105 3.588 ( -4.716 -6.969 0.000) 8.415 4.003 ( 5.091 8.656 0.000) 10.042 4.197 ( 0.412 3.574 0.000) 3.597 4.511 ( 4.005 1.355 0.000) 4.228 4.537 ( 17.723 10.535 0.000) 20.618 4.701 ( 3.014 0.384 0.000) 3.038 4.772 ( -3.208 1.006 0.000) 3.362 4.885 ( 2.871 -2.393 0.000) 3.737 5.002 ( 21.774 -3.643 0.000) 22.077 5.229 ( -1.108 -1.832 0.000) 2.141 5.365 ( -5.528 1.395 0.000) 5.701 5.406 ( -1.746 -3.109 0.000) 3.565 5.936 ( 3.111 8.116 0.000) 8.692 6.145 ( 2.219 15.386 0.000) 15.546 6.263 ( 3.779 -9.429 0.000) 10.158 6.928 ( -1.686 4.327 0.000) 4.644 7.621 ( -11.522 -6.994 0.000) 13.479 8.062 ( -0.373 0.168 0.000) 0.409 8.184 ( -9.781 -4.282 0.000) 10.678 8.589 ( 3.796 5.445 0.000) 6.637 8.907 ( -4.168 -1.483 0.000) 4.424 9.026 ( 0.255 -3.570 0.000) 3.579 9.105 ( -3.251 -2.634 0.000) 4.185 9.325 ( -3.507 6.380 0.000) 7.280 9.548 ( 5.953 -4.732 0.000) 7.605 10.830 ( 7.729 -10.140 0.000) 12.750 12.213 ( -5.812 -6.778 0.000) 8.928 12.691 ( -5.539 1.238 0.000) 5.676 13.426 ( 0.181 0.027 0.000) 0.183 13.439 ( -2.400 1.961 0.000) 3.099 13.462 ( 10.391 0.545 0.000) 10.405 14.097 ( -0.262 -0.045 0.000) 0.265 14.153 ( 1.758 1.604 0.000) 2.380 14.281 ( -1.522 -2.107 0.000) 2.599 14.392 ( -16.460 -3.063 0.000) 16.743 16.093 ( 15.635 8.579 0.000) 17.834 16.697 ( -5.799 -2.860 0.000) 6.466 17.179 ( -7.220 3.467 0.000) 8.010 18.483 ( -0.956 -0.942 0.000) 1.342 18.766 ( 1.524 -0.370 0.000) 1.568 18.781 ( 1.049 0.719 0.000) 1.272 18.909 ( -1.683 1.346 0.000) 2.155 19.352 ( -0.040 -0.460 0.000) 0.462 19.786 ( 0.082 -0.230 0.000) 0.244 20.186 ( -1.413 -1.796 0.000) 2.285 20.471 ( 1.722 -0.453 0.000) 1.781 20.687 ( -5.516 -1.104 0.000) 5.625 21.151 ( -0.447 3.131 0.000) 3.162 21.696 ( 1.445 -2.292 0.000) 2.710 21.891 ( -4.860 -2.414 0.000) 5.427 24.891 ( -1.828 -0.105 0.000) 1.831 25.146 ( 2.875 1.020 0.000) 3.051 30.239 ( 3.626 2.640 0.000) 4.485 30.380 ( 4.967 1.750 0.000) 5.267 36.968 ( 3.823 1.017 0.000) 3.956 38.376 ( 2.376 6.318 0.000) 6.750 38.660 ( 0.078 22.700 0.000) 22.700 38.829 ( -2.989 -2.878 0.000) 4.149 39.282 ( -9.994 -9.312 0.000) 13.660 40.118 ( -4.849 -9.391 0.000) 10.569 41.111 ( 7.771 5.199 0.000) 9.350 41.534 ( 2.912 -14.902 0.000) 15.184 ======================= Grid point 18 (13/80) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 6.810 1.160 0.000) 6.909 1.551 ( -6.007 11.390 0.000) 12.877 1.691 ( -1.288 -3.218 0.000) 3.466 2.222 ( -2.534 -9.218 0.000) 9.560 2.468 ( -0.366 2.729 0.000) 2.753 2.478 ( 11.420 14.271 0.000) 18.278 2.882 ( 2.012 3.592 0.000) 4.117 3.083 ( -2.716 -0.866 0.000) 2.851 3.445 ( -0.763 -3.869 0.000) 3.943 3.514 ( 11.223 4.888 0.000) 12.241 3.810 ( 0.834 10.790 0.000) 10.822 3.862 ( -0.716 -16.763 0.000) 16.778 4.127 ( 0.271 5.276 0.000) 5.283 4.491 ( 0.150 3.553 0.000) 3.556 4.572 ( 5.374 12.831 0.000) 13.911 4.643 ( 14.780 10.280 0.000) 18.004 4.731 ( -1.211 0.640 0.000) 1.369 4.973 ( 2.477 -4.005 0.000) 4.709 5.095 ( -12.263 5.391 0.000) 13.396 5.217 ( 5.235 1.659 0.000) 5.491 5.316 ( -1.055 -0.185 0.000) 1.071 5.457 ( -0.661 -4.323 0.000) 4.373 5.828 ( 1.022 7.750 0.000) 7.817 5.842 ( -0.479 18.590 0.000) 18.596 6.460 ( 2.144 -9.933 0.000) 10.162 6.802 ( -1.200 8.881 0.000) 8.962 7.656 ( -6.651 -10.747 0.000) 12.638 8.064 ( -0.515 -1.521 0.000) 1.606 8.225 ( -3.113 -9.813 0.000) 10.294 8.502 ( 1.539 8.562 0.000) 8.700 8.912 ( -1.957 -3.370 0.000) 3.897 9.015 ( -3.921 6.909 0.000) 7.944 9.092 ( 0.561 -3.386 0.000) 3.432 9.338 ( 4.383 -6.859 0.000) 8.140 9.676 ( 2.309 -3.535 0.000) 4.222 11.099 ( 4.901 -13.467 0.000) 14.331 12.303 ( -2.677 -9.215 0.000) 9.596 12.647 ( -1.634 -1.460 0.000) 2.192 13.365 ( -1.825 2.991 0.000) 3.504 13.427 ( 0.052 0.120 0.000) 0.131 13.620 ( 16.003 0.225 0.000) 16.004 14.097 ( -0.087 -0.170 0.000) 0.191 14.112 ( -18.076 0.325 0.000) 18.079 14.143 ( -1.288 0.734 0.000) 1.482 14.411 ( -0.696 -4.448 0.000) 4.502 16.063 ( 9.409 13.902 0.000) 16.787 16.671 ( -5.338 -2.686 0.000) 5.976 17.074 ( -2.970 1.018 0.000) 3.140 18.497 ( -0.450 -1.700 0.000) 1.758 18.765 ( 1.238 2.095 0.000) 2.434 18.800 ( 0.366 -1.368 0.000) 1.416 18.862 ( -1.179 1.852 0.000) 2.195 19.360 ( -0.011 -0.560 0.000) 0.560 19.791 ( 0.028 -0.251 0.000) 0.253 20.194 ( -1.415 -1.009 0.000) 1.738 20.494 ( 1.080 -0.145 0.000) 1.089 20.665 ( -3.486 -3.316 0.000) 4.811 21.096 ( 0.665 3.999 0.000) 4.054 21.754 ( 1.786 -1.761 0.000) 2.508 21.893 ( -3.564 -4.574 0.000) 5.798 24.885 ( -0.622 -1.132 0.000) 1.292 25.165 ( 2.457 0.812 0.000) 2.587 30.208 ( 1.336 4.688 0.000) 4.874 30.373 ( 1.960 4.130 0.000) 4.572 36.961 ( 0.899 3.346 0.000) 3.465 38.279 ( 1.441 8.018 0.000) 8.147 38.324 ( 1.065 19.624 0.000) 19.653 38.860 ( -0.631 -3.784 0.000) 3.837 39.382 ( -4.255 -13.240 0.000) 13.907 40.264 ( -0.365 -12.180 0.000) 12.185 41.052 ( 3.232 10.147 0.000) 10.649 41.782 ( -1.431 -14.294 0.000) 14.365 ======================= Grid point 19 (14/80) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 0.000 9.859 0.000) 9.859 1.373 ( 0.000 1.123 0.000) 1.123 1.747 ( -0.000 -2.682 0.000) 2.682 2.175 ( 0.000 25.429 0.000) 25.429 2.350 ( -0.000 -6.672 0.000) 6.672 2.441 ( -0.000 -0.213 0.000) 0.213 2.935 ( 0.000 0.115 0.000) 0.115 3.126 ( -0.000 -5.983 0.000) 5.983 3.476 ( 0.000 15.893 0.000) 15.893 3.486 ( 0.000 12.033 0.000) 12.033 3.503 ( -0.000 -3.570 0.000) 3.570 4.042 ( 0.000 4.816 0.000) 4.816 4.138 ( -0.000 -7.575 0.000) 7.575 4.209 ( 0.000 29.146 0.000) 29.146 4.428 ( 0.000 3.579 0.000) 3.579 4.659 ( 0.000 11.422 0.000) 11.422 4.716 ( 0.000 0.441 0.000) 0.441 4.796 ( 0.000 8.713 0.000) 8.713 5.055 ( -0.000 -3.387 0.000) 3.387 5.180 ( 0.000 4.065 0.000) 4.065 5.354 ( -0.000 -4.544 0.000) 4.544 5.518 ( -0.000 -3.472 0.000) 3.472 5.657 ( 0.000 2.677 0.000) 2.677 5.719 ( 0.000 5.784 0.000) 5.784 6.617 ( 0.000 12.291 0.000) 12.291 6.637 ( -0.000 -9.917 0.000) 9.917 7.797 ( -0.000 -10.352 0.000) 10.352 8.109 ( -0.000 -4.437 0.000) 4.437 8.365 ( 0.000 8.711 0.000) 8.711 8.389 ( -0.000 -11.262 0.000) 11.262 8.904 ( 0.000 2.631 0.000) 2.631 8.955 ( -0.000 -2.828 0.000) 2.828 9.139 ( -0.000 -1.702 0.000) 1.702 9.511 ( -0.000 -7.103 0.000) 7.103 9.706 ( -0.000 -0.077 0.000) 0.077 11.387 ( -0.000 -16.398 0.000) 16.398 12.409 ( -0.000 -5.207 0.000) 5.207 12.695 ( -0.000 -4.819 0.000) 4.819 13.303 ( 0.000 3.068 0.000) 3.068 13.424 ( 0.000 0.206 0.000) 0.206 13.844 ( -0.000 -3.682 0.000) 3.682 13.874 ( 0.000 2.028 0.000) 2.028 14.100 ( -0.000 -0.276 0.000) 0.276 14.131 ( 0.000 0.175 0.000) 0.175 14.456 ( -0.000 -1.606 0.000) 1.606 15.872 ( 0.000 15.462 0.000) 15.462 16.688 ( -0.000 -3.823 0.000) 3.823 17.060 ( -0.000 -0.824 0.000) 0.824 18.525 ( -0.000 -1.898 0.000) 1.898 18.739 ( 0.000 1.947 0.000) 1.947 18.794 ( 0.000 2.260 0.000) 2.260 18.856 ( -0.000 -1.976 0.000) 1.976 19.368 ( -0.000 -0.258 0.000) 0.258 19.794 ( -0.000 -0.063 0.000) 0.063 20.190 ( -0.000 -0.027 0.000) 0.027 20.496 ( 0.000 0.759 0.000) 0.759 20.711 ( -0.000 -4.454 0.000) 4.454 21.028 ( 0.000 4.804 0.000) 4.804 21.779 ( 0.000 0.006 0.000) 0.006 21.962 ( -0.000 -6.026 0.000) 6.026 24.915 ( -0.000 -2.901 0.000) 2.901 25.167 ( 0.000 1.042 0.000) 1.042 30.128 ( 0.000 5.537 0.000) 5.537 30.302 ( 0.000 5.482 0.000) 5.482 36.897 ( 0.000 4.280 0.000) 4.280 37.995 ( 0.000 19.967 0.000) 19.967 38.202 ( 0.000 3.033 0.000) 3.033 38.926 ( -0.000 -3.970 0.000) 3.970 39.595 ( -0.000 -15.142 0.000) 15.142 40.476 ( -0.000 -12.296 0.000) 12.296 40.870 ( 0.000 13.678 0.000) 13.678 41.986 ( -0.000 -12.128 0.000) 12.128 ======================= Grid point 24 (15/80) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 13.879 0.000 0.000) 13.879 1.620 ( -3.935 -0.000 0.000) 3.935 1.785 ( -0.158 -0.000 0.000) 0.158 2.039 ( -5.572 -0.000 0.000) 5.572 2.535 ( 0.006 0.000 0.000) 0.006 2.645 ( 17.129 0.000 0.000) 17.129 3.090 ( 9.228 0.000 0.000) 9.228 3.109 ( -4.455 -0.000 0.000) 4.455 3.336 ( -14.524 -0.000 0.000) 14.524 3.349 ( -0.784 -0.000 0.000) 0.784 3.582 ( 12.263 0.000 0.000) 12.263 4.146 ( 2.568 0.000 0.000) 2.568 4.226 ( -0.157 -0.000 0.000) 0.157 4.573 ( 2.835 0.000 0.000) 2.835 4.690 ( 3.725 0.000 0.000) 3.725 4.749 ( -1.861 -0.000 0.000) 1.861 4.827 ( 6.166 0.000 0.000) 6.166 4.891 ( 1.597 0.000 0.000) 1.597 5.227 ( 1.618 0.000 0.000) 1.618 5.238 ( 16.200 0.000 0.000) 16.200 5.308 ( -3.789 -0.000 0.000) 3.789 5.358 ( -1.147 -0.000 0.000) 1.147 6.081 ( 2.262 0.000 0.000) 2.262 6.177 ( 1.723 0.000 0.000) 1.723 6.325 ( 2.548 0.000 0.000) 2.548 6.948 ( -0.878 -0.000 0.000) 0.878 7.432 ( -8.021 -0.000 0.000) 8.021 8.042 ( -6.230 -0.000 0.000) 6.230 8.065 ( -0.055 -0.000 0.000) 0.055 8.686 ( 3.460 0.000 0.000) 3.460 8.845 ( -3.740 -0.000 0.000) 3.740 8.989 ( -0.009 -0.000 0.000) 0.009 9.024 ( -2.944 -0.000 0.000) 2.944 9.334 ( -3.525 -0.000 0.000) 3.525 9.595 ( 5.620 0.000 0.000) 5.620 10.813 ( 4.031 0.000 0.000) 4.031 12.095 ( -3.433 -0.000 0.000) 3.433 12.641 ( -3.564 -0.000 0.000) 3.564 13.421 ( -1.885 -0.000 0.000) 1.885 13.428 ( 0.105 0.000 0.000) 0.105 13.620 ( 13.548 0.000 0.000) 13.548 14.094 ( -0.157 -0.000 0.000) 0.157 14.128 ( -17.744 -0.000 0.000) 17.744 14.208 ( 1.896 0.000 0.000) 1.896 14.272 ( 0.682 0.000 0.000) 0.682 16.335 ( 10.612 0.000 0.000) 10.612 16.614 ( -3.410 -0.000 0.000) 3.410 17.114 ( -6.720 -0.000 0.000) 6.720 18.466 ( -0.517 -0.000 0.000) 0.517 18.771 ( 0.580 0.000 0.000) 0.580 18.807 ( 1.233 0.000 0.000) 1.233 18.901 ( -1.337 -0.000 0.000) 1.337 19.347 ( -0.027 -0.000 0.000) 0.027 19.785 ( 0.053 0.000 0.000) 0.053 20.155 ( -0.828 -0.000 0.000) 0.828 20.484 ( 1.060 0.000 0.000) 1.060 20.619 ( -3.762 -0.000 0.000) 3.762 21.168 ( -0.364 -0.000 0.000) 0.364 21.704 ( 2.999 0.000 0.000) 2.999 21.811 ( -4.644 -0.000 0.000) 4.644 24.873 ( -0.937 -0.000 0.000) 0.937 25.180 ( 1.540 0.000 0.000) 1.540 30.298 ( 2.075 0.000 0.000) 2.075 30.446 ( 2.935 0.000 0.000) 2.935 37.024 ( 2.769 0.000 0.000) 2.769 38.469 ( 2.279 0.000 0.000) 2.279 38.761 ( -1.933 -0.000 0.000) 1.933 38.856 ( -3.428 -0.000 0.000) 3.428 39.068 ( -6.125 -0.000 0.000) 6.125 39.981 ( -2.462 -0.000 0.000) 2.462 41.228 ( 4.081 0.000 0.000) 4.081 41.471 ( 4.223 0.000 0.000) 4.223 ======================= Grid point 25 (16/80) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.000 0.425 0.000) 0.425 1.609 ( -0.000 -3.545 0.000) 3.545 1.707 ( 0.000 8.988 0.000) 8.988 2.062 ( -0.000 -6.821 0.000) 6.821 2.513 ( 0.000 2.483 0.000) 2.483 2.815 ( -0.000 -4.405 0.000) 4.405 2.867 ( 0.000 18.696 0.000) 18.696 3.068 ( 0.000 1.094 0.000) 1.094 3.377 ( -0.000 -3.427 0.000) 3.427 3.523 ( -0.000 -21.357 0.000) 21.357 3.652 ( 0.000 1.631 0.000) 1.631 4.047 ( 0.000 12.933 0.000) 12.933 4.200 ( 0.000 3.047 0.000) 3.047 4.558 ( 0.000 3.586 0.000) 3.586 4.690 ( 0.000 3.003 0.000) 3.003 4.734 ( 0.000 0.477 0.000) 0.477 4.879 ( -0.000 -1.170 0.000) 1.170 4.926 ( -0.000 -2.947 0.000) 2.947 5.108 ( 0.000 11.020 0.000) 11.020 5.314 ( -0.000 -0.244 0.000) 0.244 5.321 ( 0.000 2.898 0.000) 2.898 5.384 ( -0.000 -3.597 0.000) 3.597 5.975 ( 0.000 9.007 0.000) 9.007 6.177 ( 0.000 18.272 0.000) 18.272 6.312 ( -0.000 -9.672 0.000) 9.672 6.906 ( 0.000 4.511 0.000) 4.511 7.448 ( -0.000 -7.834 0.000) 7.834 8.057 ( 0.000 0.571 0.000) 0.571 8.061 ( -0.000 -6.706 0.000) 6.706 8.645 ( 0.000 6.923 0.000) 6.923 8.844 ( -0.000 -2.840 0.000) 2.840 9.030 ( -0.000 -4.053 0.000) 4.053 9.049 ( -0.000 -2.201 0.000) 2.201 9.277 ( 0.000 1.075 0.000) 1.075 9.654 ( -0.000 -2.433 0.000) 2.433 10.923 ( -0.000 -9.785 0.000) 9.785 12.139 ( -0.000 -7.462 0.000) 7.462 12.621 ( -0.000 -0.328 0.000) 0.328 13.394 ( 0.000 1.834 0.000) 1.834 13.428 ( 0.000 0.067 0.000) 0.067 13.753 ( -0.000 -1.604 0.000) 1.604 13.963 ( 0.000 2.126 0.000) 2.126 14.094 ( -0.000 -0.097 0.000) 0.097 14.177 ( 0.000 2.933 0.000) 2.933 14.336 ( -0.000 -4.756 0.000) 4.756 16.326 ( 0.000 9.194 0.000) 9.194 16.603 ( -0.000 -1.278 0.000) 1.278 17.063 ( 0.000 0.566 0.000) 0.566 18.471 ( -0.000 -0.987 0.000) 0.987 18.783 ( -0.000 -0.928 0.000) 0.928 18.803 ( 0.000 1.369 0.000) 1.369 18.881 ( 0.000 1.289 0.000) 1.289 19.351 ( -0.000 -0.473 0.000) 0.473 19.787 ( -0.000 -0.211 0.000) 0.211 20.164 ( -0.000 -1.434 0.000) 1.434 20.495 ( -0.000 -0.447 0.000) 0.447 20.604 ( -0.000 -1.228 0.000) 1.228 21.149 ( 0.000 2.102 0.000) 2.102 21.747 ( -0.000 -1.226 0.000) 1.226 21.797 ( -0.000 -3.192 0.000) 3.192 24.869 ( -0.000 -0.264 0.000) 0.264 25.188 ( 0.000 0.250 0.000) 0.250 30.285 ( 0.000 3.092 0.000) 3.092 30.444 ( 0.000 2.483 0.000) 2.483 37.020 ( 0.000 2.431 0.000) 2.431 38.413 ( 0.000 7.360 0.000) 7.360 38.649 ( 0.000 17.326 0.000) 17.326 38.788 ( -0.000 -3.826 0.000) 3.826 39.153 ( -0.000 -10.836 0.000) 10.836 40.060 ( -0.000 -10.344 0.000) 10.344 41.206 ( 0.000 5.684 0.000) 5.684 41.580 ( -0.000 -9.418 0.000) 9.418 ======================= Grid point 51 (17/80) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 0.000 0.000 18.846) 18.846 0.382 ( 0.000 0.000 20.179) 20.179 0.935 ( 0.000 0.000 46.035) 46.035 1.883 ( 0.000 0.000 29.476) 29.476 2.228 ( 0.000 0.000 -2.226) 2.226 2.567 ( 0.000 0.000 2.666) 2.666 2.828 ( 0.000 0.000 -7.588) 7.588 3.004 ( 0.000 0.000 0.458) 0.458 3.200 ( 0.000 0.000 -2.301) 2.301 3.437 ( 0.000 0.000 -5.652) 5.652 3.480 ( 0.000 0.000 -1.254) 1.254 3.672 ( 0.000 0.000 1.017) 1.017 3.788 ( 0.000 0.000 0.306) 0.306 3.898 ( 0.000 0.000 4.461) 4.461 4.196 ( 0.000 0.000 2.747) 2.747 4.208 ( 0.000 0.000 7.249) 7.249 4.437 ( 0.000 0.000 -1.980) 1.980 4.901 ( 0.000 0.000 -8.119) 8.119 5.019 ( 0.000 0.000 10.025) 10.025 5.184 ( 0.000 0.000 5.351) 5.351 5.496 ( 0.000 0.000 -7.048) 7.048 5.804 ( 0.000 0.000 -4.130) 4.130 5.899 ( 0.000 0.000 16.266) 16.266 5.939 ( 0.000 0.000 -3.175) 3.175 6.260 ( 0.000 0.000 13.467) 13.467 7.027 ( 0.000 0.000 -3.830) 3.830 8.056 ( 0.000 0.000 -0.011) 0.011 8.377 ( 0.000 0.000 -4.869) 4.869 8.736 ( 0.000 0.000 -5.107) 5.107 9.038 ( 0.000 0.000 1.431) 1.431 9.046 ( 0.000 0.000 -5.875) 5.875 9.056 ( 0.000 0.000 5.838) 5.838 9.142 ( 0.000 0.000 0.700) 0.700 9.494 ( 0.000 0.000 0.379) 0.379 9.698 ( 0.000 0.000 0.285) 0.285 9.810 ( 0.000 0.000 -2.148) 2.148 12.584 ( 0.000 0.000 0.002) 0.002 12.804 ( 0.000 0.000 -1.082) 1.082 13.200 ( 0.000 0.000 1.556) 1.556 13.432 ( 0.000 0.000 1.944) 1.944 13.620 ( 0.000 0.000 -1.177) 1.177 13.904 ( 0.000 0.000 -2.060) 2.060 14.052 ( 0.000 0.000 -1.880) 1.880 14.185 ( 0.000 0.000 5.139) 5.139 14.208 ( 0.000 0.000 -1.391) 1.391 15.289 ( 0.000 0.000 -3.874) 3.874 16.870 ( 0.000 0.000 0.211) 0.211 17.151 ( 0.000 0.000 -1.919) 1.919 18.596 ( 0.000 0.000 4.678) 4.678 18.860 ( 0.000 0.000 12.066) 12.066 19.022 ( 0.000 0.000 4.809) 4.809 19.346 ( 0.000 0.000 -0.577) 0.577 19.761 ( 0.000 0.000 -1.808) 1.808 20.202 ( 0.000 0.000 0.247) 0.247 20.416 ( 0.000 0.000 3.200) 3.200 20.795 ( 0.000 0.000 -0.665) 0.665 20.865 ( 0.000 0.000 -0.062) 0.062 21.665 ( 0.000 0.000 -2.773) 2.773 21.715 ( 0.000 0.000 0.495) 0.495 22.026 ( 0.000 0.000 -1.350) 1.350 25.034 ( 0.000 0.000 -0.063) 0.063 25.088 ( 0.000 0.000 -0.429) 0.429 29.915 ( 0.000 0.000 0.427) 0.427 30.051 ( 0.000 0.000 -0.465) 0.465 36.767 ( 0.000 0.000 1.624) 1.624 37.211 ( 0.000 0.000 -1.004) 1.004 38.365 ( 0.000 0.000 1.222) 1.222 38.951 ( 0.000 0.000 -1.865) 1.865 39.328 ( 0.000 0.000 1.597) 1.597 40.185 ( 0.000 0.000 -3.292) 3.292 40.234 ( 0.000 0.000 -0.061) 0.061 40.857 ( 0.000 0.000 -3.926) 3.926 ======================= Grid point 52 (18/80) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 11.907 -23.826 8.693) 28.019 0.931 ( 7.856 -13.566 29.729) 33.609 1.407 ( 24.427 -44.593 13.517) 52.611 1.917 ( 0.993 -3.033 27.967) 28.149 2.161 ( 2.256 9.328 -1.299) 9.685 2.533 ( -1.690 4.344 2.381) 5.234 2.617 ( -5.937 5.397 5.175) 9.548 2.937 ( -1.407 6.073 -0.727) 6.276 3.260 ( 12.611 2.863 -6.325) 14.396 3.461 ( -1.823 0.944 -0.471) 2.106 3.527 ( 5.690 1.239 -3.605) 6.849 3.708 ( 8.533 -4.419 -1.145) 9.677 3.754 ( -6.027 4.594 3.608) 8.393 4.032 ( 6.627 -13.865 1.238) 15.418 4.170 ( 6.763 3.511 5.286) 9.274 4.330 ( 6.587 -3.213 5.893) 9.404 4.503 ( 0.953 -6.619 -1.104) 6.778 4.878 ( -0.026 2.844 5.893) 6.544 4.958 ( -2.856 -0.656 1.743) 3.410 5.199 ( -2.817 -1.447 3.890) 5.017 5.498 ( 2.653 2.316 -7.256) 8.065 5.707 ( -7.982 1.865 4.642) 9.420 5.858 ( -1.722 5.946 10.674) 12.339 5.998 ( 3.151 -0.631 2.709) 4.203 6.095 ( 9.025 4.839 14.184) 17.495 6.995 ( -1.094 3.179 -3.057) 4.544 8.037 ( -2.391 0.246 0.029) 2.403 8.288 ( -6.237 13.225 13.523) 19.917 8.355 ( 1.741 4.562 -4.078) 6.362 8.713 ( -2.254 3.213 -2.360) 4.580 9.037 ( -1.828 0.471 2.113) 2.834 9.064 ( -1.322 -0.790 -2.454) 2.897 9.124 ( -0.068 4.068 1.589) 4.368 9.495 ( -4.461 -0.991 0.512) 4.598 9.732 ( 2.340 -2.789 -0.116) 3.642 10.773 ( -35.795 -55.566 -27.686) 71.661 12.558 ( -2.810 -0.269 -0.704) 2.910 12.868 ( 5.113 4.845 -5.333) 8.834 13.204 ( -0.261 -0.753 0.977) 1.261 13.432 ( -0.062 -0.125 1.777) 1.783 13.622 ( -5.440 0.108 -2.648) 6.051 14.044 ( 1.698 0.499 -2.017) 2.683 14.154 ( 6.191 1.221 -1.617) 6.514 14.238 ( 11.382 -3.803 -8.199) 14.534 14.318 ( 17.424 -4.438 -8.805) 20.020 15.309 ( -0.143 -3.013 -4.677) 5.566 16.855 ( -0.370 0.970 -0.048) 1.039 17.164 ( 4.072 2.411 -4.308) 6.400 18.599 ( -0.008 -0.288 4.723) 4.732 18.856 ( 0.611 0.840 12.165) 12.209 19.008 ( -0.395 1.316 5.203) 5.381 19.350 ( -0.047 -0.483 -0.449) 0.662 19.760 ( -1.187 1.360 -0.216) 1.818 19.896 ( -38.130 40.190 57.553) 79.884 20.225 ( 0.085 1.225 3.732) 3.928 20.447 ( -2.580 -1.466 3.924) 4.920 20.812 ( -0.144 -1.934 -0.606) 2.031 21.055 ( 16.156 19.442 5.273) 25.823 21.679 ( -0.141 -1.647 -2.718) 3.182 22.114 ( -5.178 -2.079 -3.694) 6.692 25.041 ( -3.476 -0.773 -1.425) 3.836 25.081 ( -0.627 0.634 -0.623) 1.087 29.972 ( 5.772 0.138 -0.316) 5.783 30.091 ( 3.224 -2.072 -0.484) 3.863 36.798 ( 2.754 -1.698 1.568) 3.596 37.585 ( 42.742 18.710 -9.657) 47.647 38.331 ( 0.964 4.275 1.191) 4.541 38.967 ( -1.456 -1.302 -1.620) 2.537 39.978 ( -17.861 -5.379 -5.001) 19.313 40.405 ( 17.030 0.281 -4.209) 17.545 40.513 ( -22.308 -40.613 -33.531) 57.197 41.059 ( 17.077 -34.117 -31.429) 49.430 ======================= Grid point 53 (19/80) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 6.869 -13.380 27.813) 31.619 1.298 ( 11.209 -24.991 4.904) 27.825 1.959 ( 3.272 10.552 3.512) 11.592 1.983 ( 0.217 0.815 21.197) 21.214 2.321 ( 10.296 -14.136 -5.753) 18.410 2.436 ( -1.711 -1.161 1.762) 2.717 2.602 ( 2.923 -1.460 4.010) 5.172 2.871 ( 4.245 -9.809 1.884) 10.853 3.318 ( -0.648 2.358 -1.118) 2.689 3.406 ( -0.984 0.870 -1.275) 1.831 3.587 ( 6.384 1.532 -2.195) 6.922 3.657 ( 5.459 2.429 3.060) 6.713 3.904 ( 3.094 -6.270 -2.621) 7.467 4.151 ( 7.686 4.514 8.612) 12.394 4.437 ( 8.157 -7.822 4.621) 12.209 4.479 ( 9.152 -13.598 2.420) 16.569 4.603 ( 1.131 -0.370 -1.320) 1.777 4.851 ( 1.346 1.658 9.653) 9.886 4.951 ( -3.130 -2.263 -3.557) 5.251 5.195 ( 0.389 -1.549 2.981) 3.382 5.472 ( -0.578 2.466 -4.834) 5.457 5.610 ( -2.814 2.143 2.480) 4.320 5.763 ( -1.954 1.886 8.851) 9.258 5.985 ( 5.387 8.442 13.345) 16.684 6.258 ( 4.785 -10.242 1.155) 11.364 6.894 ( -2.069 6.706 -1.540) 7.185 8.006 ( -2.252 -0.397 0.083) 2.289 8.153 ( -3.639 0.248 2.573) 4.464 8.293 ( 2.362 6.185 -5.610) 8.678 8.626 ( -4.062 1.699 1.239) 4.574 8.998 ( 0.512 3.177 -0.315) 3.234 9.039 ( -2.023 0.111 -2.542) 3.251 9.102 ( 2.109 0.943 2.783) 3.617 9.394 ( -8.539 3.040 1.362) 9.165 9.789 ( -2.230 -2.979 0.019) 3.721 10.967 ( -20.827 -18.843 -11.625) 30.397 12.537 ( -2.881 -1.508 -1.072) 3.424 12.785 ( -2.173 5.021 -2.463) 6.000 13.226 ( 1.037 -1.593 0.083) 1.902 13.433 ( -0.237 -0.114 1.303) 1.330 13.523 ( -4.550 3.466 -1.167) 5.838 14.074 ( 1.860 -1.039 -1.200) 2.445 14.153 ( 0.332 1.068 2.644) 2.871 14.321 ( -0.195 -1.934 -2.870) 3.466 14.596 ( 16.026 0.593 -11.809) 19.916 15.376 ( 1.097 -3.503 -6.155) 7.167 16.844 ( 0.982 0.612 -0.769) 1.390 17.147 ( 1.767 4.031 -4.339) 6.180 18.602 ( -0.218 -0.197 4.985) 4.993 18.852 ( 1.125 0.828 12.612) 12.689 18.973 ( -0.648 1.946 6.740) 7.045 19.186 ( -11.426 12.635 35.851) 39.693 19.362 ( -0.059 -0.454 0.403) 0.610 19.774 ( 0.061 -0.416 -1.279) 1.346 20.245 ( 1.761 -0.550 1.259) 2.234 20.466 ( 0.004 -1.636 3.048) 3.460 20.845 ( -1.292 -2.828 -0.358) 3.129 20.982 ( 6.506 8.272 0.947) 10.566 21.708 ( -0.223 -1.956 -2.633) 3.288 22.065 ( -3.193 0.925 -3.327) 4.703 24.984 ( -3.185 1.707 -0.231) 3.621 25.064 ( -1.469 -0.141 -1.164) 1.880 30.042 ( 4.460 -0.832 0.311) 4.548 30.175 ( 3.751 -2.328 -0.513) 4.445 36.873 ( 3.501 -2.077 1.821) 4.459 37.728 ( 19.368 7.515 -4.183) 21.192 38.265 ( 0.878 4.654 1.265) 4.902 38.951 ( -2.609 0.353 -1.984) 3.297 39.840 ( -11.976 -1.940 -1.029) 12.175 40.478 ( -13.793 -1.404 -9.385) 16.742 40.586 ( 11.194 -0.835 -2.982) 11.615 41.698 ( 1.824 -21.831 -31.382) 38.272 ======================= Grid point 54 (20/80) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 3.588 -7.527 27.827) 29.049 1.746 ( -0.242 -6.210 0.394) 6.227 1.865 ( 11.168 -3.602 1.185) 11.794 1.962 ( -1.040 0.651 18.592) 18.632 2.309 ( -3.638 6.878 -5.734) 9.666 2.437 ( -1.446 3.258 -1.764) 3.977 2.536 ( -0.259 0.904 5.991) 6.064 3.210 ( 0.852 -1.222 -0.200) 1.504 3.247 ( -0.951 0.168 0.976) 1.373 3.542 ( 1.192 -6.073 0.164) 6.191 3.586 ( 0.595 -7.656 -0.236) 7.683 3.828 ( 13.038 -4.037 0.461) 13.657 4.010 ( 1.496 -7.535 -3.061) 8.270 4.173 ( 3.026 -0.226 9.494) 9.967 4.430 ( -4.498 15.498 -2.875) 16.392 4.540 ( 0.969 -0.847 10.057) 10.139 4.832 ( 3.220 -0.847 3.922) 5.144 4.905 ( 0.706 -6.287 -0.614) 6.357 4.966 ( 5.094 -8.904 1.558) 10.376 5.226 ( -0.733 3.216 0.071) 3.299 5.427 ( 0.231 0.879 -3.099) 3.230 5.543 ( -1.532 2.654 -1.925) 3.618 5.747 ( -1.225 -1.594 11.047) 11.228 5.895 ( 1.645 5.666 16.267) 17.304 6.491 ( 3.908 -10.589 0.103) 11.288 6.731 ( -2.809 9.004 -0.460) 9.443 7.999 ( -0.497 -0.484 0.224) 0.729 8.138 ( -2.457 -2.301 -2.216) 4.031 8.222 ( 1.459 4.459 -6.292) 7.849 8.576 ( -1.647 0.202 4.741) 5.023 8.978 ( 2.990 1.221 -2.286) 3.957 9.022 ( -1.658 -0.359 -3.472) 3.865 9.119 ( 4.652 2.010 3.300) 6.047 9.225 ( -9.805 1.843 3.238) 10.489 9.784 ( -2.642 -1.046 -0.093) 2.843 10.996 ( -5.317 -4.810 -7.138) 10.117 12.533 ( -0.966 -0.626 -0.789) 1.396 12.701 ( -1.635 1.587 -1.900) 2.967 13.283 ( 2.137 -2.726 -0.456) 3.494 13.398 ( -3.028 2.999 -1.146) 4.413 13.447 ( -0.313 0.528 1.997) 2.089 14.107 ( 0.781 -0.685 0.076) 1.042 14.140 ( 0.099 0.609 1.072) 1.237 14.332 ( -0.074 -0.124 -1.732) 1.738 14.710 ( 4.415 0.010 -6.962) 8.244 15.428 ( 0.579 -1.274 -6.082) 6.241 16.857 ( 1.222 -0.078 -1.366) 1.834 17.095 ( -0.357 2.256 -2.934) 3.718 18.601 ( -0.167 -0.041 5.227) 5.230 18.857 ( 0.847 0.253 14.448) 14.475 18.939 ( -0.462 0.888 8.356) 8.416 18.998 ( -2.745 2.595 18.466) 18.849 19.368 ( -0.001 -0.242 0.142) 0.280 19.780 ( 0.042 -0.185 -1.256) 1.270 20.272 ( 0.974 -0.400 1.254) 1.637 20.487 ( 0.104 -0.668 3.006) 3.082 20.866 ( -1.633 -1.823 0.152) 2.452 20.938 ( 2.637 3.521 -0.337) 4.412 21.730 ( -0.113 -0.837 -2.571) 2.706 22.025 ( -1.037 0.569 -3.365) 3.567 24.932 ( -1.187 0.945 0.094) 1.520 25.052 ( -0.820 -0.133 -1.202) 1.461 30.095 ( 1.802 -0.574 0.402) 1.933 30.238 ( 1.570 -0.942 -0.516) 1.902 36.931 ( 1.575 -0.860 2.059) 2.731 37.820 ( 6.319 1.077 -2.948) 7.055 38.213 ( 0.177 2.100 1.347) 2.501 38.907 ( -1.661 0.915 -2.198) 2.903 39.766 ( -4.161 -0.974 -0.021) 4.273 40.361 ( -5.056 0.428 -5.860) 7.752 40.694 ( 4.222 -0.408 -3.397) 5.434 41.916 ( 0.053 -5.702 -20.679) 21.451 ======================= Grid point 59 (21/80) ======================= q-point: ( 0.14 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 11.931 0.000 30.178) 32.451 0.957 ( 31.118 0.000 6.331) 31.756 1.389 ( 43.069 0.000 12.060) 44.725 1.907 ( 1.820 0.000 29.086) 29.143 2.243 ( 0.719 0.000 -2.362) 2.468 2.538 ( -10.649 -0.000 7.566) 13.064 2.562 ( -0.015 -0.000 2.364) 2.364 3.047 ( 4.465 0.000 -3.338) 5.574 3.425 ( 6.419 0.000 -9.846) 11.753 3.448 ( -2.020 -0.000 -0.454) 2.071 3.704 ( 1.785 0.000 -2.112) 2.766 3.725 ( -2.486 -0.000 2.189) 3.313 3.798 ( 25.784 0.000 -2.455) 25.900 4.056 ( 16.836 0.000 -1.175) 16.877 4.283 ( 6.025 0.000 2.082) 6.374 4.423 ( 8.577 0.000 12.313) 15.006 4.444 ( 1.946 0.000 -1.012) 2.193 4.904 ( -3.986 -0.000 13.770) 14.335 4.907 ( -0.288 -0.000 -4.631) 4.640 5.151 ( -1.645 -0.000 2.531) 3.019 5.507 ( -4.556 -0.000 -4.952) 6.729 5.680 ( -0.320 -0.000 4.356) 4.368 5.901 ( -1.755 -0.000 7.095) 7.309 5.984 ( 3.319 0.000 -3.109) 4.548 6.280 ( 3.061 0.000 16.786) 17.063 7.002 ( -1.840 -0.000 -3.735) 4.163 7.973 ( -7.394 -0.000 -0.136) 7.395 8.301 ( -14.930 -0.000 13.058) 19.834 8.420 ( 3.308 0.000 -5.395) 6.328 8.712 ( -12.805 -0.000 6.556) 14.386 9.004 ( -3.275 -0.000 -5.919) 6.764 9.042 ( -1.130 -0.000 5.431) 5.548 9.111 ( -0.210 -0.000 0.544) 0.583 9.479 ( -7.433 -0.000 -0.218) 7.436 9.504 ( 0.747 0.000 -1.095) 1.325 10.184 ( 18.213 0.000 -1.878) 18.310 12.470 ( -8.285 -0.000 0.333) 8.292 12.932 ( -3.640 -0.000 -6.291) 7.268 13.210 ( 2.193 0.000 0.064) 2.194 13.430 ( -0.195 -0.000 1.287) 1.301 13.610 ( -1.706 -0.000 -0.888) 1.924 14.057 ( 0.923 0.000 -1.164) 1.485 14.175 ( -0.509 -0.000 4.980) 5.006 14.189 ( 0.498 0.000 -1.771) 1.839 14.643 ( 15.826 0.000 -27.150) 31.426 15.339 ( 10.629 0.000 -9.574) 14.305 16.839 ( -2.643 -0.000 0.211) 2.652 17.240 ( 3.165 0.000 -8.892) 9.438 18.596 ( -0.086 -0.000 5.106) 5.106 18.874 ( 1.106 0.000 12.498) 12.547 19.011 ( -0.912 -0.000 5.525) 5.600 19.345 ( -0.025 -0.000 -0.539) 0.539 19.646 ( -43.735 -0.000 54.312) 69.732 19.762 ( 0.128 0.000 -1.782) 1.787 20.203 ( -0.069 -0.000 0.394) 0.400 20.431 ( 1.261 0.000 3.152) 3.395 20.795 ( -0.409 -0.000 -0.537) 0.675 21.356 ( -7.445 -0.000 4.008) 8.455 21.646 ( -1.182 -0.000 -2.985) 3.211 21.996 ( -2.500 -0.000 -1.524) 2.928 24.995 ( -2.820 -0.000 0.060) 2.820 25.087 ( 0.270 0.000 -0.591) 0.650 30.068 ( 6.221 0.000 -1.424) 6.382 30.136 ( 6.352 0.000 -0.443) 6.367 36.817 ( 3.941 0.000 2.019) 4.428 38.351 ( 1.816 0.000 -2.336) 2.959 38.918 ( -2.631 -0.000 -1.717) 3.142 38.991 ( 38.793 0.000 -59.036) 70.641 39.218 ( -7.896 -0.000 1.445) 8.027 39.909 ( -6.832 -0.000 -8.024) 10.539 40.630 ( 17.292 0.000 -4.592) 17.891 40.988 ( 9.502 0.000 -3.950) 10.291 ======================= Grid point 60 (22/80) ======================= q-point: ( 0.29 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 10.202 -7.414 29.838) 32.394 1.326 ( 28.221 -3.672 2.262) 28.549 1.948 ( 1.886 -2.973 27.556) 27.780 2.081 ( 14.783 -5.374 -1.162) 15.772 2.277 ( 14.409 -9.453 -1.258) 17.279 2.403 ( -5.818 2.154 3.287) 7.021 2.585 ( 3.156 -4.048 4.898) 7.095 3.024 ( 8.030 10.757 -3.897) 13.978 3.348 ( -4.820 4.641 -0.035) 6.691 3.461 ( 0.230 -0.409 -2.078) 2.130 3.633 ( -0.913 5.408 -0.017) 5.485 3.822 ( 6.060 -4.968 -0.062) 7.837 3.993 ( 21.784 11.748 -2.725) 24.899 4.311 ( 4.948 3.649 5.814) 8.462 4.426 ( 22.523 -10.353 -0.274) 24.790 4.495 ( 4.600 -0.638 13.320) 14.106 4.583 ( 5.407 -6.456 -1.586) 8.569 4.878 ( 0.757 0.074 9.645) 9.675 4.898 ( -2.391 -0.565 -1.267) 2.764 5.162 ( 0.847 -2.583 -0.563) 2.776 5.434 ( -6.479 -0.031 -3.387) 7.311 5.648 ( -0.168 2.644 7.877) 8.311 5.816 ( -0.258 6.659 2.354) 7.068 6.097 ( 4.536 -4.500 -1.728) 6.619 6.267 ( 4.941 4.609 14.667) 16.148 6.951 ( -2.224 3.325 -3.017) 5.010 7.893 ( -9.425 -3.697 -0.184) 10.126 8.129 ( -6.030 2.900 3.575) 7.586 8.414 ( 1.650 4.933 -5.666) 7.691 8.556 ( -8.036 -0.131 5.309) 9.632 8.973 ( -3.987 -1.507 -3.707) 5.649 9.039 ( -0.142 -0.027 1.697) 1.704 9.136 ( 2.306 -0.535 2.422) 3.387 9.410 ( -3.984 5.462 -0.124) 6.762 9.565 ( -8.432 -10.866 -0.133) 13.755 10.553 ( 9.163 -16.688 -4.408) 19.542 12.400 ( -8.233 -4.514 0.280) 9.394 12.821 ( -6.273 4.177 -3.632) 8.366 13.251 ( 4.570 0.175 -0.660) 4.620 13.427 ( -0.412 -0.130 0.524) 0.679 13.545 ( -3.169 3.388 -0.073) 4.639 14.080 ( 1.769 -0.566 -0.610) 1.955 14.166 ( -0.153 0.557 4.206) 4.246 14.247 ( 0.397 -4.630 -1.381) 4.848 14.672 ( -5.656 -0.215 -12.611) 13.822 15.507 ( 17.539 3.408 -13.182) 22.204 16.814 ( -3.421 -1.753 -0.325) 3.857 17.221 ( -1.082 3.558 -7.296) 8.189 18.594 ( -0.469 -0.161 5.805) 5.826 18.883 ( 1.437 0.801 12.906) 13.010 18.986 ( -1.565 1.159 7.494) 7.743 19.192 ( -15.184 7.668 35.042) 38.952 19.351 ( -0.168 -0.572 0.124) 0.609 19.768 ( 0.129 -0.390 -1.535) 1.589 20.221 ( -0.633 -2.204 0.868) 2.452 20.457 ( 1.587 -0.797 3.076) 3.551 20.791 ( -2.249 -1.187 -0.309) 2.561 21.183 ( -1.110 8.828 1.287) 8.990 21.664 ( -0.817 -2.713 -2.910) 4.062 21.986 ( -4.879 -2.636 -2.276) 5.994 24.957 ( -3.128 0.213 0.119) 3.138 25.080 ( 1.118 1.626 -0.768) 2.118 30.122 ( 5.855 1.832 -0.031) 6.135 30.223 ( 6.780 -0.149 -0.460) 6.798 36.886 ( 4.526 -1.374 2.329) 5.273 38.291 ( 6.455 13.516 -3.964) 15.493 38.471 ( 12.999 29.554 -5.634) 32.774 38.901 ( -3.672 -1.490 -1.490) 4.234 39.563 ( -15.415 -10.232 -4.593) 19.063 40.127 ( -9.657 -19.874 -17.461) 28.162 40.794 ( 14.347 3.607 -3.888) 15.296 41.324 ( 6.962 -22.948 -14.125) 27.831 ======================= Grid point 61 (23/80) ======================= q-point: ( 0.43 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 8.743 -8.041 26.147) 28.719 1.651 ( 6.031 -3.127 0.294) 6.800 1.972 ( -1.142 1.094 23.767) 23.820 2.055 ( 11.663 6.362 -1.778) 13.404 2.340 ( -2.658 -1.588 1.634) 3.501 2.463 ( 0.591 0.670 -1.059) 1.386 2.735 ( 7.256 13.715 -2.053) 15.651 3.180 ( 14.516 -13.967 0.940) 20.166 3.220 ( -4.461 2.715 2.077) 5.620 3.494 ( 1.939 -2.841 0.026) 3.440 3.576 ( 4.416 1.577 -0.171) 4.692 3.920 ( -0.807 -2.795 -1.601) 3.321 4.069 ( 19.631 8.099 -1.614) 21.298 4.258 ( 1.867 6.176 11.754) 13.409 4.553 ( 2.419 -0.195 10.162) 10.448 4.613 ( -0.619 8.156 -3.014) 8.717 4.830 ( 1.027 -1.291 2.061) 2.640 4.858 ( 10.032 -5.438 -0.459) 11.420 4.944 ( 6.122 -3.450 4.648) 8.425 5.232 ( -0.162 -1.614 -1.824) 2.441 5.374 ( -4.957 -2.106 -2.697) 6.024 5.612 ( 0.586 3.433 3.984) 5.292 5.709 ( -2.222 3.082 4.624) 5.985 6.062 ( 1.667 10.550 13.344) 17.093 6.382 ( 4.852 -8.962 2.152) 10.416 6.836 ( -2.442 7.261 -1.652) 7.837 7.876 ( -8.304 -6.945 0.246) 10.828 8.057 ( -3.899 -1.338 -2.878) 5.027 8.336 ( 0.258 4.372 -4.402) 6.210 8.502 ( -4.020 -1.104 4.859) 6.402 8.962 ( -3.183 -2.408 -2.106) 4.512 9.033 ( 0.486 0.333 -2.258) 2.334 9.171 ( -3.302 1.654 2.446) 4.430 9.242 ( 2.869 6.053 2.894) 7.297 9.649 ( -3.424 -8.557 -0.297) 9.222 10.872 ( 6.486 -10.804 -5.604) 13.791 12.417 ( -5.645 -7.172 0.059) 9.127 12.698 ( -3.954 1.982 -2.282) 4.977 13.319 ( 7.067 0.006 -1.126) 7.157 13.411 ( -1.815 1.707 -1.069) 2.712 13.460 ( -1.320 2.048 1.984) 3.142 14.105 ( 0.570 -0.401 0.155) 0.713 14.152 ( -0.286 0.875 2.095) 2.288 14.306 ( -0.557 -1.951 -1.817) 2.724 14.599 ( -11.756 -4.759 -5.234) 13.721 15.615 ( 15.371 7.985 -10.412) 20.210 16.808 ( -4.471 -2.794 -1.013) 5.369 17.126 ( -2.983 3.611 -3.959) 6.133 18.591 ( -0.619 -0.401 6.231) 6.274 18.883 ( 1.038 1.302 14.012) 14.111 18.940 ( -2.050 1.082 11.035) 11.276 19.012 ( -2.427 2.814 16.792) 17.198 19.361 ( -0.024 -0.613 0.054) 0.616 19.776 ( 0.085 -0.370 -1.353) 1.405 20.246 ( -1.435 -1.945 1.072) 2.644 20.488 ( 1.432 -0.542 2.948) 3.322 20.778 ( -4.371 -2.487 -0.041) 5.029 21.066 ( 1.405 6.155 -0.073) 6.314 21.703 ( 0.039 -2.375 -2.791) 3.665 21.969 ( -4.434 -2.560 -2.933) 5.901 24.920 ( -1.982 0.110 0.241) 2.000 25.076 ( 2.559 1.391 -1.054) 3.098 30.149 ( 3.801 2.450 0.370) 4.537 30.284 ( 4.546 1.549 -0.495) 4.828 36.945 ( 2.544 0.047 2.531) 3.589 38.119 ( 10.943 18.213 -4.208) 21.661 38.290 ( 0.956 7.459 0.455) 7.534 38.880 ( -2.666 -0.988 -2.051) 3.506 39.557 ( -10.308 -10.178 -1.058) 14.525 40.232 ( -5.501 -8.658 -8.604) 13.388 40.856 ( 9.567 6.922 -3.496) 12.315 41.700 ( -1.031 -16.990 -15.568) 23.067 ======================= Grid point 62 (24/80) ======================= q-point: (-0.43 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 1.306 1.798 24.677) 24.776 1.591 ( -9.809 -1.254 3.756) 10.578 1.937 ( 0.601 0.347 18.708) 18.721 2.121 ( 5.311 13.816 -0.333) 14.805 2.349 ( 3.855 -1.316 -1.889) 4.490 2.430 ( 0.283 1.142 -1.043) 1.572 2.633 ( 11.922 7.550 3.834) 14.623 3.179 ( -1.479 -2.958 2.706) 4.273 3.339 ( 4.835 3.873 -1.307) 6.332 3.536 ( -0.346 -2.371 2.473) 3.444 3.651 ( -0.885 3.021 -3.748) 4.895 3.953 ( 1.844 4.744 -3.205) 6.015 4.124 ( 1.853 8.812 3.152) 9.540 4.228 ( -0.170 7.525 2.100) 7.814 4.347 ( 5.758 5.536 -0.729) 8.020 4.558 ( 0.063 2.007 10.482) 10.672 4.788 ( -2.323 -0.985 4.032) 4.756 4.985 ( 3.445 0.527 0.452) 3.514 5.068 ( -4.331 7.814 -0.261) 8.938 5.189 ( 1.550 -1.375 0.460) 2.123 5.353 ( -4.521 -2.981 -1.967) 5.762 5.555 ( 1.575 1.270 -2.577) 3.276 5.705 ( -2.010 -3.957 12.170) 12.954 5.917 ( 0.351 7.499 15.947) 17.626 6.580 ( 2.931 -5.400 0.272) 6.150 6.665 ( -2.261 6.598 -0.497) 6.993 7.904 ( -6.085 -7.033 0.776) 9.332 8.074 ( -2.058 -4.705 -4.905) 7.101 8.289 ( 3.454 4.776 -3.839) 7.035 8.500 ( -3.987 -5.185 4.745) 8.081 8.950 ( -2.599 1.788 -1.437) 3.467 9.013 ( -4.125 -0.506 1.347) 4.369 9.070 ( 0.739 -0.892 -3.608) 3.789 9.341 ( 11.614 -0.993 4.010) 12.327 9.746 ( -0.933 -5.336 -0.313) 5.426 11.101 ( 10.552 -5.946 -7.695) 14.350 12.469 ( -3.472 -5.222 -0.116) 6.272 12.678 ( -0.285 -2.490 -1.875) 3.130 13.331 ( -1.528 3.955 -0.285) 4.250 13.421 ( 6.291 -0.582 -1.057) 6.405 13.452 ( 3.097 -0.348 1.133) 3.316 14.098 ( -2.463 0.363 -1.073) 2.711 14.135 ( -0.428 0.309 0.446) 0.691 14.295 ( -5.199 -1.480 -0.946) 5.488 14.542 ( -10.518 -4.178 -2.048) 11.501 15.620 ( 10.708 10.569 -8.246) 17.157 16.786 ( -5.802 -2.571 -0.773) 6.393 17.068 ( -1.672 -0.138 -2.580) 3.078 18.595 ( -0.280 -0.652 5.787) 5.830 18.859 ( -0.458 1.490 13.890) 13.977 18.926 ( -0.385 -0.647 7.112) 7.152 18.995 ( 1.653 -1.051 18.394) 18.498 19.368 ( -0.009 -0.253 0.114) 0.278 19.780 ( -0.003 -0.093 -1.282) 1.285 20.241 ( -2.865 -0.645 0.930) 3.081 20.505 ( 1.100 0.439 2.859) 3.095 20.779 ( -4.340 -4.272 0.220) 6.094 20.998 ( 1.816 5.004 -0.545) 5.351 21.736 ( 0.796 -0.745 -2.632) 2.849 21.974 ( -2.871 -3.714 -3.507) 5.860 24.917 ( -0.107 -1.525 0.222) 1.545 25.093 ( 3.399 1.176 -1.451) 3.879 30.126 ( 0.687 3.681 0.440) 3.770 30.278 ( 1.432 3.592 -0.543) 3.905 36.938 ( -0.653 2.188 2.526) 3.405 37.937 ( 2.826 15.275 -3.061) 15.833 38.214 ( -0.044 2.425 1.211) 2.711 38.892 ( 0.451 -2.398 -2.227) 3.304 39.651 ( -4.373 -11.869 -0.184) 12.650 40.347 ( 2.770 -7.979 -6.387) 10.589 40.793 ( 3.369 10.228 -3.418) 11.298 41.868 ( -3.251 -7.376 -17.170) 18.968 ======================= Grid point 63 (25/80) ======================= q-point: (-0.29 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -1.307 12.999 28.532) 31.381 1.596 ( -8.990 -12.616 2.831) 15.748 1.724 ( 0.030 24.965 1.900) 25.037 2.005 ( 1.435 0.644 21.965) 22.021 2.385 ( 0.939 -0.112 -2.828) 2.982 2.466 ( 0.644 -1.431 -0.197) 1.581 2.717 ( 13.673 7.769 0.032) 15.726 3.153 ( -2.990 20.517 0.224) 20.735 3.281 ( -0.794 -0.172 1.745) 1.925 3.396 ( -16.195 6.027 -0.830) 17.301 3.580 ( 1.049 -2.224 1.825) 3.062 3.707 ( 9.652 15.225 -2.127) 18.152 3.998 ( -2.488 9.626 -5.559) 11.391 4.061 ( -3.062 2.151 5.862) 6.954 4.430 ( -1.711 2.135 3.138) 4.163 4.576 ( 2.299 -0.713 3.670) 4.389 4.684 ( -8.782 15.914 0.634) 18.188 4.805 ( -0.038 -1.756 8.072) 8.261 5.032 ( 2.378 2.728 -2.166) 4.218 5.195 ( -0.244 -0.612 3.850) 3.906 5.391 ( -2.219 -4.246 -4.058) 6.278 5.616 ( 3.683 -3.804 -1.160) 5.420 5.752 ( -1.082 -3.526 11.300) 11.887 5.837 ( -2.231 0.763 16.232) 16.403 6.413 ( -1.964 12.948 -0.410) 13.102 6.786 ( 1.354 -8.892 -0.264) 8.998 7.960 ( -1.967 -5.565 0.772) 5.953 8.147 ( -0.640 -5.977 -5.145) 7.913 8.246 ( 1.796 4.276 0.494) 4.664 8.572 ( -1.131 -6.858 0.658) 6.982 8.922 ( -0.842 -3.044 0.014) 3.158 9.020 ( -1.175 -2.315 2.628) 3.694 9.096 ( 0.996 -0.065 -4.402) 4.514 9.506 ( 12.055 -0.572 2.234) 12.274 9.762 ( -5.911 -1.192 -0.083) 6.031 11.358 ( 17.388 -4.316 -14.268) 22.903 12.498 ( -3.103 -3.318 -0.249) 4.550 12.745 ( 1.427 -3.649 -1.746) 4.290 13.262 ( -0.290 2.831 0.295) 2.861 13.437 ( 0.035 0.091 1.584) 1.587 13.592 ( 13.746 -0.978 -3.247) 14.159 14.020 ( -11.383 -0.781 -5.812) 12.804 14.130 ( -0.719 -0.140 0.472) 0.872 14.242 ( -7.692 -1.722 2.448) 8.254 14.467 ( -4.664 1.688 -1.505) 5.184 15.536 ( 4.622 10.700 -6.762) 13.475 16.777 ( -3.155 -3.478 -0.166) 4.698 17.072 ( -1.541 -2.221 -2.358) 3.587 18.603 ( 0.022 -0.369 5.056) 5.070 18.836 ( -0.511 0.346 12.228) 12.243 18.944 ( 0.059 -1.863 6.810) 7.060 19.094 ( 3.430 -8.137 29.380) 30.678 19.368 ( -0.029 0.253 0.041) 0.258 19.779 ( -0.037 0.238 -1.286) 1.308 20.210 ( -2.735 -0.235 0.500) 2.790 20.500 ( 0.818 1.452 2.917) 3.359 20.804 ( -3.642 -4.235 0.369) 5.598 20.936 ( 0.772 4.659 -0.653) 4.767 21.740 ( 0.585 1.293 -2.524) 2.896 22.025 ( -0.544 -4.993 -3.866) 6.338 24.966 ( 1.095 -3.381 -0.049) 3.554 25.109 ( 2.426 1.445 -1.888) 3.397 30.053 ( -1.171 4.339 0.473) 4.519 30.210 ( -0.626 4.787 -0.574) 4.862 36.871 ( -2.354 3.138 2.326) 4.561 37.687 ( -3.370 14.270 -2.465) 14.868 38.206 ( -0.260 -1.563 1.521) 2.196 38.951 ( 1.359 -2.522 -2.244) 3.639 39.830 ( 1.160 -12.008 -0.037) 12.064 40.548 ( 7.102 -7.091 -6.290) 11.844 40.615 ( -1.872 11.022 -3.355) 11.672 41.869 ( -2.575 3.295 -26.835) 27.159 ======================= Grid point 64 (26/80) ======================= q-point: (-0.14 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 15.732 30.562) 34.374 1.204 ( 0.000 32.192 5.313) 32.628 1.870 ( -0.000 -18.551 2.037) 18.663 1.981 ( 0.000 1.994 24.698) 24.778 2.090 ( 0.000 48.447 0.648) 48.451 2.466 ( -0.000 -3.369 0.748) 3.451 2.577 ( -0.000 -0.181 5.165) 5.169 2.964 ( 0.000 2.500 -0.468) 2.544 3.129 ( 0.000 2.306 -4.381) 4.950 3.425 ( -0.000 -4.977 2.668) 5.647 3.635 ( 0.000 0.374 -0.237) 0.443 3.695 ( -0.000 -3.186 2.785) 4.232 3.711 ( 0.000 14.548 -6.744) 16.035 4.052 ( -0.000 -2.115 4.777) 5.225 4.311 ( 0.000 19.035 1.039) 19.064 4.358 ( 0.000 3.859 4.388) 5.844 4.590 ( 0.000 4.031 0.619) 4.078 4.834 ( -0.000 -2.159 10.407) 10.628 5.004 ( 0.000 2.409 -3.431) 4.192 5.219 ( -0.000 -1.166 4.504) 4.653 5.430 ( -0.000 -2.986 -5.967) 6.673 5.731 ( -0.000 -4.505 -3.868) 5.938 5.811 ( -0.000 -3.917 14.506) 15.026 5.820 ( -0.000 -3.315 18.405) 18.701 6.191 ( 0.000 11.924 -0.575) 11.938 6.922 ( -0.000 -6.492 -1.449) 6.652 8.022 ( -0.000 -2.902 0.449) 2.936 8.213 ( -0.000 -0.478 6.565) 6.582 8.250 ( -0.000 -6.409 -5.444) 8.409 8.670 ( -0.000 -4.815 -2.536) 5.442 9.008 ( -0.000 -6.879 0.450) 6.894 9.041 ( -0.000 -1.156 4.140) 4.298 9.092 ( 0.000 1.230 -4.475) 4.641 9.602 ( 0.000 2.921 2.013) 3.548 9.688 ( -0.000 -0.247 -0.607) 0.655 11.536 ( 0.000 5.384 -31.699) 32.153 12.519 ( -0.000 -2.792 0.348) 2.813 12.798 ( -0.000 -1.389 -1.612) 2.128 13.229 ( 0.000 1.561 0.748) 1.731 13.435 ( 0.000 0.143 1.829) 1.835 13.779 ( 0.000 0.895 -13.220) 13.251 13.860 ( -0.000 -1.888 -1.964) 2.725 14.101 ( 0.000 2.769 -1.267) 3.045 14.193 ( 0.000 0.791 5.178) 5.238 14.388 ( 0.000 4.839 -1.454) 5.052 15.405 ( 0.000 7.823 -5.430) 9.523 16.818 ( -0.000 -3.172 0.102) 3.174 17.099 ( -0.000 -2.435 -1.929) 3.107 18.604 ( 0.000 0.226 4.628) 4.633 18.837 ( -0.000 -0.784 12.029) 12.054 18.980 ( -0.000 -2.181 5.752) 6.151 19.360 ( 0.000 0.606 -0.227) 0.647 19.406 ( -0.000 -29.145 52.431) 59.986 19.774 ( 0.000 0.243 -0.890) 0.922 20.195 ( -0.000 -0.294 0.144) 0.327 20.483 ( 0.000 1.209 3.376) 3.585 20.828 ( -0.000 -2.277 0.099) 2.279 20.867 ( 0.000 3.982 -0.625) 4.031 21.713 ( 0.000 2.206 -2.607) 3.415 22.107 ( -0.000 -4.393 -3.940) 5.901 25.035 ( -0.000 -3.504 -0.599) 3.555 25.100 ( 0.000 1.498 -2.186) 2.650 29.975 ( 0.000 3.591 0.468) 3.622 30.126 ( 0.000 4.262 -0.547) 4.296 36.803 ( 0.000 2.456 2.054) 3.202 37.426 ( 0.000 12.348 -1.716) 12.467 38.253 ( -0.000 -4.184 1.442) 4.425 38.986 ( -0.000 -0.405 -1.991) 2.032 40.046 ( -0.000 -10.900 -0.023) 10.900 40.375 ( 0.000 12.306 -4.667) 13.161 40.743 ( -0.000 -7.035 -4.823) 8.529 41.643 ( 0.000 26.028 -50.978) 57.238 ======================= Grid point 67 (27/80) ======================= q-point: ( 0.29 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 13.109 0.000 27.406) 30.380 1.613 ( 19.398 0.000 1.403) 19.448 1.942 ( 1.123 0.000 28.321) 28.344 2.245 ( -0.944 -0.000 2.176) 2.372 2.298 ( 5.985 0.000 -0.642) 6.020 2.473 ( 26.717 0.000 -1.291) 26.748 2.565 ( 0.424 0.000 2.826) 2.858 3.218 ( 7.216 0.000 -3.921) 8.212 3.343 ( -5.079 -0.000 2.906) 5.851 3.391 ( -2.215 -0.000 0.342) 2.241 3.622 ( -9.090 -0.000 -3.810) 9.856 3.924 ( 12.667 0.000 -1.135) 12.718 4.431 ( 7.638 0.000 -1.143) 7.723 4.470 ( 8.641 0.000 6.887) 11.050 4.520 ( 18.199 0.000 -0.309) 18.202 4.554 ( 8.242 0.000 12.005) 14.562 4.621 ( 20.740 0.000 1.800) 20.818 4.852 ( -3.652 -0.000 1.552) 3.968 4.897 ( 2.956 0.000 7.380) 7.950 5.152 ( 1.397 0.000 -3.410) 3.685 5.349 ( -6.816 -0.000 -3.526) 7.674 5.648 ( -3.154 -0.000 14.075) 14.424 5.928 ( 3.591 0.000 -3.434) 4.969 6.077 ( 3.812 0.000 -3.006) 4.855 6.376 ( 4.244 0.000 14.265) 14.883 6.951 ( -2.050 -0.000 -3.629) 4.168 7.713 ( -12.593 -0.000 0.038) 12.593 8.067 ( -7.755 -0.000 -1.022) 7.822 8.417 ( -9.435 -0.000 11.503) 14.878 8.518 ( 4.282 0.000 -6.427) 7.723 8.900 ( -4.933 -0.000 -5.980) 7.752 9.035 ( 0.039 0.000 4.659) 4.659 9.127 ( -1.904 -0.000 1.152) 2.225 9.410 ( 4.082 0.000 -1.243) 4.267 9.456 ( -4.418 -0.000 0.106) 4.419 10.578 ( 12.832 0.000 -2.817) 13.138 12.252 ( -8.301 -0.000 0.799) 8.340 12.762 ( -7.930 -0.000 -3.397) 8.627 13.331 ( 8.031 0.000 -1.135) 8.111 13.420 ( -0.643 -0.000 -0.536) 0.837 13.526 ( -4.198 -0.000 1.206) 4.368 14.100 ( 1.759 0.000 0.140) 1.765 14.179 ( 1.343 0.000 4.191) 4.401 14.219 ( 1.783 0.000 -0.845) 1.973 14.524 ( -15.537 -0.000 -8.055) 17.501 15.782 ( 19.564 0.000 -16.034) 25.295 16.739 ( -5.322 -0.000 0.296) 5.330 17.216 ( -4.663 -0.000 -7.234) 8.607 18.585 ( -0.840 -0.000 7.015) 7.065 18.907 ( 1.369 0.000 12.988) 13.060 18.971 ( -2.502 -0.000 10.729) 11.017 19.099 ( -8.231 -0.000 25.672) 26.960 19.345 ( -0.019 -0.000 -0.441) 0.441 19.767 ( 0.207 0.000 -1.644) 1.657 20.189 ( -1.064 -0.000 0.604) 1.223 20.473 ( 1.956 0.000 2.997) 3.579 20.742 ( -4.497 -0.000 -0.110) 4.499 21.211 ( -4.132 -0.000 0.488) 4.161 21.631 ( 0.377 0.000 -3.264) 3.285 21.907 ( -4.636 -0.000 -2.054) 5.071 24.923 ( -2.616 -0.000 0.372) 2.642 25.116 ( 2.054 0.000 -0.997) 2.283 30.209 ( 5.214 0.000 0.130) 5.215 30.312 ( 7.135 0.000 -0.436) 7.148 36.942 ( 5.774 0.000 2.946) 6.482 38.393 ( 2.170 0.000 -1.012) 2.395 38.831 ( -4.113 -0.000 -1.438) 4.357 39.011 ( -7.950 -0.000 1.277) 8.052 39.188 ( -6.570 -0.000 -14.444) 15.869 39.867 ( -0.350 -0.000 -17.427) 17.431 40.992 ( 11.896 0.000 -4.248) 12.632 41.244 ( 10.093 0.000 -4.204) 10.933 ======================= Grid point 68 (28/80) ======================= q-point: ( 0.43 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 12.834 -4.001 23.863) 27.389 1.743 ( 3.950 4.371 1.636) 6.114 1.950 ( -2.823 -0.797 25.706) 25.873 2.195 ( -4.151 -3.055 3.911) 6.469 2.374 ( 13.698 3.218 -0.447) 14.077 2.518 ( 3.117 5.081 -0.464) 5.979 2.881 ( 9.825 -4.871 -3.807) 11.608 3.170 ( -4.367 2.537 1.055) 5.160 3.346 ( 12.677 2.140 -0.433) 12.864 3.427 ( 0.456 -3.437 2.050) 4.028 3.549 ( -5.824 -6.462 -3.785) 9.487 3.996 ( 5.950 7.416 0.335) 9.513 4.387 ( 1.820 7.641 13.405) 15.537 4.491 ( 13.029 7.272 -0.664) 14.936 4.601 ( 6.905 2.037 7.057) 10.081 4.676 ( 2.661 1.544 -1.099) 3.267 4.814 ( -2.619 0.136 3.231) 4.161 4.943 ( 6.049 -0.965 4.950) 7.875 5.012 ( 19.325 -3.410 1.533) 19.683 5.190 ( -0.656 -2.241 -3.884) 4.532 5.281 ( -5.215 -1.132 -3.274) 6.260 5.611 ( -1.868 -0.275 15.862) 15.974 5.846 ( 1.629 10.838 -6.126) 12.556 6.198 ( 3.363 -2.391 -0.821) 4.208 6.361 ( 3.018 3.766 13.340) 14.186 6.900 ( -1.694 3.572 -3.018) 4.974 7.626 ( -11.066 -7.091 0.538) 13.154 7.984 ( -5.640 -1.236 -5.045) 7.668 8.316 ( -4.899 0.606 9.282) 10.513 8.542 ( 3.019 3.409 -4.359) 6.304 8.865 ( -4.339 -2.968 -4.287) 6.784 9.020 ( -1.609 -0.080 0.234) 1.628 9.140 ( -2.597 -2.682 2.636) 4.570 9.345 ( -1.857 4.473 2.373) 5.393 9.532 ( 5.395 -4.874 -1.558) 7.436 10.790 ( 7.438 -9.212 -4.167) 12.552 12.221 ( -5.668 -6.623 0.821) 8.756 12.665 ( -5.274 0.937 -2.605) 5.957 13.406 ( -0.244 0.733 -1.256) 1.475 13.445 ( 10.667 0.484 -1.490) 10.782 13.468 ( -2.393 1.407 2.154) 3.513 14.111 ( 0.240 0.422 0.833) 0.964 14.173 ( 0.670 2.006 2.151) 3.016 14.257 ( -5.082 -1.188 -2.800) 5.923 14.364 ( -10.498 -4.867 -1.854) 11.718 15.944 ( 15.696 6.814 -14.342) 22.327 16.695 ( -5.590 -2.374 -0.043) 6.073 17.126 ( -5.546 2.315 -4.619) 7.580 18.576 ( -0.838 -0.284 7.691) 7.741 18.914 ( 0.692 0.656 11.748) 11.787 18.932 ( -1.705 1.240 13.838) 13.998 19.024 ( -1.742 1.566 15.771) 15.944 19.350 ( -0.017 -0.582 -0.201) 0.616 19.772 ( 0.140 -0.284 -1.476) 1.510 20.193 ( -1.469 -1.885 0.752) 2.505 20.500 ( 1.635 -0.415 2.869) 3.328 20.686 ( -5.582 -1.160 -0.046) 5.702 21.147 ( -0.794 3.190 -0.362) 3.307 21.667 ( 1.491 -2.424 -3.133) 4.233 21.866 ( -5.122 -2.175 -2.618) 6.150 24.896 ( -1.709 -0.060 0.496) 1.781 25.134 ( 2.691 1.045 -1.219) 3.134 30.242 ( 3.702 2.605 0.379) 4.542 30.375 ( 4.954 1.773 -0.474) 5.283 37.000 ( 4.145 1.163 3.284) 5.415 38.367 ( 2.227 5.903 -0.915) 6.376 38.631 ( 1.242 23.707 -3.433) 23.986 38.811 ( -3.144 -2.684 -1.776) 4.499 39.257 ( -9.241 -11.001 -2.487) 14.581 39.982 ( -3.366 -12.425 -12.828) 18.173 41.073 ( 8.057 5.050 -3.583) 10.162 41.461 ( 4.426 -11.927 -7.028) 14.534 ======================= Grid point 69 (29/80) ======================= q-point: ( 0.57 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -1.859 8.935 5.638) 10.727 1.619 ( 3.930 2.291 21.118) 21.602 1.914 ( -3.036 -1.949 20.212) 20.532 2.269 ( -0.617 -7.431 6.151) 9.666 2.445 ( 8.789 11.249 -2.556) 14.503 2.459 ( 0.805 4.769 -1.182) 4.978 2.877 ( 3.292 2.613 0.007) 4.203 3.112 ( -2.663 -1.377 2.589) 3.961 3.463 ( 1.801 -1.900 1.011) 2.806 3.503 ( 7.974 2.687 -0.255) 8.418 3.752 ( 4.954 -5.802 -6.834) 10.243 3.830 ( -6.764 2.400 -1.238) 7.283 4.271 ( 0.326 8.207 11.940) 14.492 4.538 ( 5.059 12.941 -2.844) 14.183 4.568 ( 4.704 2.892 6.116) 8.240 4.654 ( 10.775 9.516 3.077) 14.701 4.762 ( -1.282 0.797 2.815) 3.194 4.998 ( -1.465 -0.055 0.914) 1.728 5.099 ( -6.748 2.947 1.645) 7.545 5.217 ( 5.638 0.610 -0.180) 5.674 5.265 ( -1.846 -1.636 -2.449) 3.476 5.616 ( -0.054 -1.061 12.331) 12.377 5.667 ( -0.971 8.650 -4.365) 9.738 6.092 ( 0.826 12.261 14.512) 19.016 6.472 ( 2.127 -8.981 2.007) 9.445 6.788 ( -1.224 8.050 -1.734) 8.325 7.668 ( -6.348 -10.761 1.254) 12.557 7.986 ( -1.546 -3.751 -5.860) 7.127 8.303 ( -1.399 -4.359 4.906) 6.711 8.478 ( 0.518 6.378 -2.306) 6.801 8.894 ( -1.783 -4.716 -1.408) 5.235 9.008 ( -2.703 3.416 -1.151) 4.506 9.060 ( -1.179 1.097 -1.990) 2.560 9.401 ( 4.988 -6.268 5.737) 9.853 9.658 ( 1.772 -3.881 -1.793) 4.627 11.036 ( 4.443 -11.971 -6.469) 14.314 12.309 ( -2.561 -9.009 0.644) 9.388 12.628 ( -1.521 -1.672 -1.930) 2.972 13.364 ( -1.231 2.796 -0.036) 3.055 13.440 ( -0.319 0.210 1.338) 1.391 13.591 ( 14.642 0.597 -2.661) 14.894 14.033 ( -12.898 1.597 -4.682) 13.814 14.138 ( -0.721 0.604 0.570) 1.100 14.183 ( -3.861 -1.362 4.037) 5.750 14.411 ( -0.707 -4.279 0.246) 4.344 15.939 ( 8.700 11.892 -12.167) 19.109 16.670 ( -4.738 -2.644 0.056) 5.426 17.047 ( -2.516 0.650 -2.703) 3.750 18.577 ( -0.384 -0.794 7.200) 7.254 18.890 ( -0.054 2.412 13.079) 13.300 18.913 ( -0.364 -0.271 7.661) 7.674 19.002 ( 0.404 0.257 17.257) 17.263 19.360 ( -0.005 -0.628 0.023) 0.628 19.777 ( 0.036 -0.266 -1.353) 1.380 20.199 ( -1.611 -0.920 0.581) 1.944 20.521 ( 1.059 -0.147 2.754) 2.954 20.665 ( -3.518 -3.464 0.105) 4.938 21.089 ( 0.565 3.994 -0.673) 4.090 21.730 ( 2.073 -1.904 -2.690) 3.893 21.860 ( -3.970 -4.293 -3.496) 6.813 24.889 ( -0.564 -1.029 0.491) 1.272 25.150 ( 2.306 0.934 -1.545) 2.928 30.213 ( 1.361 4.675 0.470) 4.891 30.368 ( 1.944 4.159 -0.539) 4.622 36.992 ( 1.074 3.590 3.252) 4.962 38.271 ( 2.610 12.032 -1.441) 12.396 38.303 ( 0.088 15.010 -1.563) 15.092 38.840 ( -0.633 -3.698 -2.138) 4.318 39.374 ( -4.137 -13.612 -0.660) 14.242 40.170 ( -0.626 -13.808 -9.209) 16.609 41.018 ( 3.397 10.106 -3.288) 11.157 41.677 ( -0.497 -11.075 -10.275) 15.115 ======================= Grid point 70 (30/80) ======================= q-point: (-0.29 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.000 0.704 3.596) 3.664 1.563 ( 0.000 8.512 26.947) 28.259 1.954 ( -0.000 -1.531 18.159) 18.223 2.182 ( 0.000 21.290 1.595) 21.350 2.363 ( -0.000 -3.424 1.792) 3.865 2.435 ( -0.000 -0.918 -0.413) 1.007 2.925 ( 0.000 0.489 -0.721) 0.871 3.169 ( -0.000 -6.716 4.058) 7.847 3.448 ( 0.000 17.076 -2.488) 17.256 3.459 ( 0.000 9.998 -2.064) 10.209 3.535 ( -0.000 -2.408 2.507) 3.477 4.024 ( -0.000 -7.224 -9.263) 11.747 4.138 ( 0.000 7.717 8.318) 11.346 4.171 ( 0.000 28.630 -3.665) 28.863 4.541 ( 0.000 7.959 8.144) 11.387 4.635 ( 0.000 6.032 -0.347) 6.042 4.740 ( 0.000 1.872 2.962) 3.504 4.831 ( 0.000 4.882 3.355) 5.924 5.079 ( 0.000 0.385 1.947) 1.985 5.198 ( 0.000 2.237 2.099) 3.068 5.308 ( -0.000 -4.050 -2.965) 5.019 5.583 ( -0.000 -0.733 -3.568) 3.643 5.670 ( -0.000 -3.902 13.774) 14.316 5.919 ( 0.000 8.533 15.834) 17.987 6.612 ( 0.000 11.984 -0.779) 12.009 6.641 ( -0.000 -9.621 0.512) 9.634 7.809 ( -0.000 -10.151 1.288) 10.233 8.048 ( -0.000 -4.935 -5.594) 7.460 8.362 ( 0.000 7.126 -0.625) 7.153 8.419 ( -0.000 -9.039 1.950) 9.247 8.909 ( 0.000 2.642 0.430) 2.677 8.959 ( -0.000 -4.006 0.827) 4.091 9.088 ( -0.000 -1.772 -4.608) 4.937 9.561 ( -0.000 -5.995 4.790) 7.673 9.687 ( -0.000 -0.334 -1.993) 2.021 11.284 ( -0.000 -13.362 -10.313) 16.879 12.414 ( -0.000 -5.144 0.512) 5.169 12.678 ( -0.000 -4.816 -1.675) 5.099 13.306 ( 0.000 3.056 0.322) 3.073 13.438 ( 0.000 0.021 1.368) 1.368 13.756 ( -0.000 -1.148 -7.008) 7.101 13.848 ( 0.000 1.620 -2.634) 3.092 14.129 ( 0.000 0.211 0.601) 0.637 14.183 ( -0.000 -1.207 5.801) 5.926 14.452 ( -0.000 -1.229 -0.273) 1.258 15.775 ( 0.000 13.589 -9.527) 16.596 16.691 ( -0.000 -3.723 0.294) 3.734 17.038 ( -0.000 -0.949 -2.230) 2.424 18.591 ( -0.000 -0.967 6.091) 6.168 18.852 ( 0.000 1.854 11.826) 11.970 18.921 ( -0.000 -0.955 6.648) 6.716 19.025 ( -0.000 -2.776 22.191) 22.364 19.368 ( -0.000 -0.243 0.069) 0.253 19.780 ( -0.000 -0.039 -1.319) 1.319 20.192 ( 0.000 0.069 0.182) 0.195 20.524 ( 0.000 0.706 2.808) 2.895 20.712 ( -0.000 -4.499 0.289) 4.508 21.022 ( 0.000 4.782 -0.706) 4.834 21.758 ( 0.000 0.063 -2.373) 2.374 21.923 ( -0.000 -5.996 -4.070) 7.247 24.918 ( -0.000 -2.720 0.279) 2.734 25.148 ( 0.000 1.215 -1.870) 2.230 30.133 ( 0.000 5.535 0.499) 5.558 30.297 ( 0.000 5.495 -0.588) 5.527 36.925 ( 0.000 4.545 2.906) 5.394 37.967 ( 0.000 19.747 -2.951) 19.967 38.213 ( 0.000 2.619 1.181) 2.873 38.905 ( -0.000 -3.937 -2.267) 4.543 39.592 ( -0.000 -15.286 -0.228) 15.288 40.401 ( -0.000 -13.410 -7.454) 15.342 40.837 ( 0.000 13.787 -3.265) 14.168 41.815 ( -0.000 -6.348 -16.387) 17.574 ======================= Grid point 75 (31/80) ======================= q-point: ( 0.43 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 13.686 0.000 21.814) 25.752 1.827 ( 1.481 0.000 4.304) 4.552 1.876 ( -8.223 -0.000 22.719) 24.161 2.104 ( -2.897 -0.000 9.165) 9.612 2.473 ( 2.176 0.000 -4.126) 4.665 2.711 ( 13.904 0.000 4.516) 14.620 2.973 ( 8.738 0.000 -9.187) 12.679 3.144 ( -3.816 -0.000 3.777) 5.369 3.297 ( -12.554 -0.000 -3.443) 13.018 3.365 ( -2.470 -0.000 1.109) 2.708 3.564 ( 11.444 0.000 -1.658) 11.564 4.141 ( 3.061 0.000 0.073) 3.062 4.465 ( -0.677 -0.000 20.249) 20.260 4.572 ( 4.058 0.000 -0.207) 4.063 4.674 ( 0.552 0.000 -0.693) 0.886 4.786 ( -0.098 -0.000 2.770) 2.771 4.817 ( 5.693 0.000 0.592) 5.724 4.991 ( 3.737 0.000 8.252) 9.059 5.179 ( 0.710 0.000 -4.905) 4.956 5.213 ( -3.610 -0.000 -3.628) 5.118 5.242 ( 16.830 0.000 0.435) 16.836 5.585 ( -1.449 -0.000 17.837) 17.896 6.005 ( 1.956 0.000 -6.423) 6.714 6.148 ( 1.704 0.000 -3.011) 3.459 6.463 ( 2.285 0.000 12.763) 12.966 6.913 ( -0.920 -0.000 -3.638) 3.752 7.441 ( -7.675 -0.000 0.895) 7.727 7.897 ( -4.774 -0.000 -6.692) 8.220 8.285 ( -2.113 -0.000 14.015) 14.174 8.613 ( 3.113 0.000 -7.252) 7.892 8.785 ( -3.834 -0.000 -6.261) 7.342 9.030 ( -0.392 -0.000 3.982) 4.001 9.041 ( -2.718 -0.000 1.499) 3.104 9.349 ( -2.948 -0.000 1.810) 3.459 9.576 ( 5.462 0.000 -1.974) 5.808 10.778 ( 3.799 0.000 -3.691) 5.297 12.105 ( -3.342 -0.000 1.086) 3.514 12.615 ( -3.407 -0.000 -2.613) 4.294 13.409 ( 0.200 0.000 -0.539) 0.575 13.451 ( -1.880 -0.000 1.730) 2.554 13.603 ( 13.471 0.000 -1.737) 13.583 14.083 ( -17.083 -0.000 -4.382) 17.636 14.120 ( 0.189 0.000 2.202) 2.210 14.228 ( 1.620 0.000 2.391) 2.888 14.268 ( 0.652 0.000 -0.474) 0.806 16.166 ( 9.983 0.000 -16.235) 19.059 16.619 ( -3.336 -0.000 0.513) 3.375 17.073 ( -5.070 -0.000 -3.693) 6.272 18.565 ( -0.566 -0.000 8.511) 8.530 18.913 ( -0.640 -0.000 9.974) 9.994 18.942 ( 0.282 0.000 14.677) 14.679 19.021 ( -0.774 -0.000 15.325) 15.344 19.344 ( -0.003 -0.000 -0.347) 0.347 19.771 ( 0.103 0.000 -1.475) 1.479 20.162 ( -0.837 -0.000 0.640) 1.054 20.513 ( 1.017 0.000 2.842) 3.018 20.616 ( -3.926 -0.000 -0.306) 3.938 21.162 ( -0.529 -0.000 -0.668) 0.852 21.676 ( 3.267 0.000 -3.082) 4.491 21.784 ( -5.032 -0.000 -2.821) 5.768 24.880 ( -0.870 -0.000 0.653) 1.088 25.166 ( 1.451 0.000 -1.365) 1.992 30.302 ( 2.108 0.000 0.423) 2.150 30.442 ( 2.925 0.000 -0.466) 2.962 37.059 ( 2.965 0.000 3.767) 4.794 38.450 ( 1.884 0.000 -1.822) 2.621 38.747 ( -2.133 -0.000 -1.568) 2.647 38.869 ( -3.220 -0.000 1.475) 3.542 39.019 ( -4.837 -0.000 -5.444) 7.282 39.841 ( -1.023 -0.000 -13.364) 13.403 41.192 ( 4.298 0.000 -3.413) 5.488 41.426 ( 4.139 0.000 -4.508) 6.120 ======================= Grid point 76 (32/80) ======================= q-point: (-0.43 -0.57 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.000 0.529 22.755) 22.761 1.736 ( 0.000 9.197 5.333) 10.632 1.824 ( -0.000 -2.704 17.645) 17.851 2.143 ( -0.000 -6.122 10.921) 12.519 2.480 ( 0.000 0.735 -2.841) 2.934 2.797 ( 0.000 16.910 -5.905) 17.912 2.847 ( -0.000 -2.427 2.946) 3.817 3.097 ( 0.000 1.756 2.853) 3.350 3.396 ( -0.000 -4.073 2.048) 4.559 3.452 ( -0.000 -20.803 -6.087) 21.675 3.628 ( 0.000 1.719 -2.413) 2.963 4.040 ( 0.000 13.227 -0.412) 13.233 4.401 ( 0.000 6.625 15.448) 16.809 4.606 ( -0.000 -0.020 6.644) 6.644 4.655 ( 0.000 2.258 -2.052) 3.052 4.773 ( 0.000 1.512 2.594) 3.003 4.868 ( -0.000 -1.522 0.982) 1.811 5.033 ( -0.000 -1.725 8.398) 8.574 5.070 ( 0.000 10.847 -3.969) 11.551 5.220 ( -0.000 -1.689 -4.911) 5.193 5.324 ( 0.000 2.940 0.313) 2.956 5.586 ( -0.000 -1.111 16.738) 16.774 5.868 ( 0.000 12.903 -7.687) 15.019 6.244 ( -0.000 -1.443 -0.364) 1.488 6.403 ( 0.000 3.903 12.994) 13.567 6.878 ( 0.000 3.737 -3.068) 4.835 7.460 ( -0.000 -7.942 1.272) 8.043 7.905 ( -0.000 -4.129 -6.914) 8.053 8.260 ( 0.000 0.526 11.123) 11.135 8.590 ( 0.000 5.237 -5.778) 7.799 8.800 ( -0.000 -4.496 -4.219) 6.166 8.992 ( -0.000 -0.730 -1.191) 1.397 9.093 ( -0.000 -0.293 1.832) 1.856 9.323 ( -0.000 -2.218 4.924) 5.400 9.633 ( -0.000 -2.347 -2.180) 3.204 10.879 ( -0.000 -8.825 -4.652) 9.976 12.148 ( -0.000 -7.320 1.016) 7.390 12.598 ( -0.000 -0.568 -2.297) 2.366 13.397 ( 0.000 1.838 0.355) 1.872 13.438 ( -0.000 -0.003 0.943) 0.943 13.728 ( -0.000 -0.440 -2.396) 2.436 13.923 ( 0.000 1.822 -3.956) 4.355 14.127 ( -0.000 -0.656 2.613) 2.695 14.191 ( 0.000 2.781 1.717) 3.268 14.338 ( -0.000 -4.806 0.300) 4.816 16.164 ( 0.000 7.653 -15.518) 17.303 16.608 ( -0.000 -1.241 0.533) 1.351 17.035 ( 0.000 0.420 -2.714) 2.746 18.564 ( -0.000 -0.413 8.274) 8.284 18.908 ( 0.000 0.011 8.944) 8.944 18.927 ( 0.000 1.877 13.367) 13.498 19.011 ( 0.000 0.539 16.094) 16.103 19.350 ( -0.000 -0.579 -0.182) 0.607 19.773 ( -0.000 -0.229 -1.413) 1.432 20.170 ( -0.000 -1.398 0.626) 1.531 20.523 ( -0.000 -0.419 2.789) 2.820 20.600 ( -0.000 -1.377 -0.286) 1.407 21.141 ( 0.000 2.091 -0.762) 2.226 21.726 ( -0.000 -1.221 -2.300) 2.604 21.761 ( -0.000 -3.095 -3.770) 4.877 24.875 ( -0.000 -0.219 0.660) 0.695 25.173 ( 0.000 0.324 -1.479) 1.514 30.289 ( 0.000 3.075 0.458) 3.109 30.439 ( 0.000 2.511 -0.498) 2.559 37.056 ( 0.000 2.594 3.743) 4.554 38.399 ( 0.000 6.508 -1.211) 6.620 38.632 ( 0.000 18.603 -2.028) 18.713 38.770 ( -0.000 -3.650 -1.915) 4.122 39.139 ( -0.000 -11.697 -1.419) 11.782 39.941 ( -0.000 -11.653 -11.521) 16.387 41.172 ( 0.000 5.633 -3.279) 6.518 41.520 ( -0.000 -7.750 -5.930) 9.759 ======================= Grid point 102 (33/80) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 0.000 0.000 19.844) 19.844 0.776 ( 0.000 0.000 20.969) 20.969 1.721 ( 0.000 0.000 35.138) 35.138 2.158 ( 0.000 0.000 -5.282) 5.282 2.532 ( 0.000 0.000 35.109) 35.109 2.631 ( 0.000 0.000 3.655) 3.655 2.636 ( 0.000 0.000 -12.159) 12.159 3.008 ( 0.000 0.000 0.270) 0.270 3.146 ( 0.000 0.000 -2.952) 2.952 3.300 ( 0.000 0.000 -8.057) 8.057 3.438 ( 0.000 0.000 -3.177) 3.177 3.705 ( 0.000 0.000 2.398) 2.398 3.805 ( 0.000 0.000 1.349) 1.349 4.002 ( 0.000 0.000 6.088) 6.088 4.268 ( 0.000 0.000 4.413) 4.413 4.378 ( 0.000 0.000 -4.085) 4.085 4.389 ( 0.000 0.000 10.895) 10.895 4.735 ( 0.000 0.000 -8.996) 8.996 5.275 ( 0.000 0.000 4.155) 4.155 5.295 ( 0.000 0.000 18.195) 18.195 5.365 ( 0.000 0.000 -6.614) 6.614 5.708 ( 0.000 0.000 -5.651) 5.651 5.846 ( 0.000 0.000 -6.555) 6.555 6.274 ( 0.000 0.000 22.379) 22.379 6.611 ( 0.000 0.000 22.549) 22.549 6.916 ( 0.000 0.000 -7.814) 7.814 8.047 ( 0.000 0.000 -1.814) 1.814 8.253 ( 0.000 0.000 -6.928) 6.928 8.622 ( 0.000 0.000 -6.565) 6.565 8.874 ( 0.000 0.000 -12.181) 12.181 9.075 ( 0.000 0.000 2.335) 2.335 9.159 ( 0.000 0.000 0.994) 0.994 9.189 ( 0.000 0.000 7.679) 7.679 9.505 ( 0.000 0.000 0.744) 0.744 9.697 ( 0.000 0.000 -0.511) 0.511 9.753 ( 0.000 0.000 -3.617) 3.617 12.588 ( 0.000 0.000 0.480) 0.480 12.774 ( 0.000 0.000 -1.957) 1.957 13.243 ( 0.000 0.000 2.885) 2.885 13.482 ( 0.000 0.000 3.113) 3.113 13.587 ( 0.000 0.000 -2.302) 2.302 13.849 ( 0.000 0.000 -3.519) 3.519 14.026 ( 0.000 0.000 -0.883) 0.883 14.170 ( 0.000 0.000 -2.403) 2.403 14.304 ( 0.000 0.000 7.312) 7.312 15.183 ( 0.000 0.000 -7.015) 7.015 16.877 ( 0.000 0.000 0.642) 0.642 17.101 ( 0.000 0.000 -3.045) 3.045 18.718 ( 0.000 0.000 7.791) 7.791 19.147 ( 0.000 0.000 7.861) 7.861 19.177 ( 0.000 0.000 20.034) 20.034 19.325 ( 0.000 0.000 -1.712) 1.712 19.715 ( 0.000 0.000 -2.829) 2.829 20.204 ( 0.000 0.000 -0.111) 0.111 20.495 ( 0.000 0.000 4.723) 4.723 20.778 ( 0.000 0.000 -1.136) 1.136 20.869 ( 0.000 0.000 0.721) 0.721 21.580 ( 0.000 0.000 -6.170) 6.170 21.730 ( 0.000 0.000 1.073) 1.073 21.988 ( 0.000 0.000 -2.578) 2.578 25.033 ( 0.000 0.000 -0.032) 0.032 25.077 ( 0.000 0.000 -0.716) 0.716 29.927 ( 0.000 0.000 0.816) 0.816 30.038 ( 0.000 0.000 -0.868) 0.868 36.813 ( 0.000 0.000 3.078) 3.078 37.181 ( 0.000 0.000 -2.154) 2.154 38.401 ( 0.000 0.000 2.575) 2.575 38.891 ( 0.000 0.000 -4.368) 4.368 39.384 ( 0.000 0.000 4.289) 4.289 40.095 ( 0.000 0.000 -6.037) 6.037 40.239 ( 0.000 0.000 0.738) 0.738 40.752 ( 0.000 0.000 -6.771) 6.771 ======================= Grid point 103 (34/80) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 6.847 -17.013 14.168) 23.174 1.285 ( 18.026 -26.924 11.801) 34.483 1.877 ( 6.292 -15.749 28.380) 33.061 2.116 ( 1.805 6.074 -2.493) 6.809 2.521 ( -1.831 6.298 -2.695) 7.091 2.539 ( 0.864 0.933 29.149) 29.177 2.644 ( -1.567 -0.285 1.508) 2.193 2.926 ( -3.655 4.798 0.145) 6.033 3.182 ( 13.327 2.985 -2.617) 13.906 3.408 ( 3.621 -1.645 -4.900) 6.310 3.465 ( 3.744 0.225 -2.736) 4.642 3.682 ( 5.208 -0.757 -0.513) 5.288 3.805 ( -3.624 2.626 1.550) 4.736 4.101 ( 2.383 -13.104 5.505) 14.412 4.272 ( 7.785 2.634 4.687) 9.461 4.400 ( 3.360 -3.207 0.008) 4.645 4.547 ( 5.517 -7.557 7.299) 11.867 4.784 ( 1.163 -3.830 -7.295) 8.321 5.227 ( -2.735 3.196 16.412) 16.943 5.270 ( -3.859 -0.731 3.359) 5.168 5.385 ( 3.536 1.054 -2.963) 4.732 5.665 ( -3.202 2.659 -5.003) 6.508 5.925 ( 2.686 -7.022 -5.773) 9.479 6.227 ( -5.132 2.987 22.681) 23.445 6.498 ( 5.846 11.895 23.196) 26.716 6.908 ( -1.051 0.682 -5.385) 5.529 8.031 ( -2.292 -0.023 -1.483) 2.730 8.220 ( 0.767 4.488 -7.338) 8.636 8.458 ( -11.763 12.945 1.153) 17.529 8.669 ( 3.159 8.084 -3.156) 9.236 8.959 ( -1.583 -0.523 -3.850) 4.195 9.100 ( -2.942 4.730 1.176) 5.693 9.205 ( 2.312 1.694 6.956) 7.524 9.510 ( -5.555 -2.456 1.125) 6.177 9.724 ( 1.681 -3.956 -0.713) 4.357 10.330 ( -5.562 -39.342 -18.074) 43.651 12.554 ( -2.936 0.704 0.327) 3.037 12.783 ( 1.139 1.720 -3.710) 4.245 13.234 ( -1.231 -0.158 2.185) 2.513 13.475 ( -1.128 -0.024 2.309) 2.570 13.571 ( -1.277 1.889 -2.400) 3.311 13.946 ( 13.839 1.767 -7.432) 15.807 14.050 ( 3.447 -3.028 -0.922) 4.680 14.248 ( 0.479 -6.165 -2.710) 6.752 14.307 ( 0.796 -1.139 6.926) 7.064 15.192 ( -0.919 -2.048 -7.450) 7.781 16.860 ( -0.672 1.279 0.531) 1.539 17.093 ( 0.965 1.796 -3.585) 4.124 18.722 ( 0.213 -0.220 7.812) 7.818 19.134 ( -0.620 0.983 9.065) 9.140 19.175 ( 1.752 1.458 17.732) 17.878 19.338 ( 0.027 -1.316 -0.140) 1.324 19.717 ( 0.012 -0.106 -2.852) 2.854 20.196 ( -1.210 1.468 0.525) 1.974 20.498 ( -0.686 1.184 6.421) 6.565 20.646 ( -26.934 10.237 13.690) 31.901 20.796 ( 0.044 -2.015 -0.991) 2.246 21.236 ( 5.042 30.576 12.360) 33.363 21.596 ( -0.028 -1.620 -5.910) 6.128 22.026 ( -3.221 -0.824 -5.277) 6.237 25.020 ( -1.689 0.207 -0.655) 1.823 25.067 ( -0.771 1.040 -0.850) 1.549 29.974 ( 4.716 -1.061 0.444) 4.854 30.077 ( 3.260 -1.998 -0.893) 3.926 36.845 ( 3.008 -1.770 3.308) 4.808 37.405 ( 25.883 2.333 -8.413) 27.315 38.368 ( 0.666 3.971 2.689) 4.842 38.909 ( -1.294 -1.320 -4.587) 4.946 39.769 ( -11.294 -31.709 -11.816) 35.674 40.074 ( -10.620 -16.436 -7.857) 21.087 40.362 ( 14.195 -0.201 -2.659) 14.444 40.787 ( 10.140 -0.938 -8.965) 13.567 ======================= Grid point 104 (35/80) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 8.676 -22.337 6.445) 24.815 1.731 ( 5.743 -13.692 20.422) 25.249 1.948 ( 0.989 10.408 -0.961) 10.499 2.272 ( 2.980 -3.382 1.097) 4.640 2.433 ( 1.021 1.147 1.551) 2.183 2.524 ( 0.105 4.042 20.935) 21.322 2.662 ( 0.169 -0.539 7.009) 7.032 2.942 ( 7.205 -14.522 5.224) 17.032 3.300 ( 4.109 -1.159 -0.676) 4.322 3.385 ( -1.034 2.734 -1.399) 3.241 3.522 ( 9.042 0.801 -3.611) 9.769 3.687 ( 0.301 1.280 -1.161) 1.754 3.880 ( 6.081 -3.738 0.800) 7.182 4.310 ( 12.743 2.744 5.931) 14.321 4.478 ( 6.317 -16.535 2.837) 17.926 4.500 ( 4.960 -1.873 -0.756) 5.356 4.707 ( 4.113 -3.586 9.977) 11.372 4.868 ( -0.291 -6.181 -3.926) 7.329 5.119 ( -2.010 5.485 17.076) 18.048 5.255 ( -2.146 -1.900 3.119) 4.236 5.396 ( 1.256 1.446 -2.425) 3.090 5.567 ( -3.253 3.655 -4.427) 6.599 6.055 ( 0.495 0.002 10.431) 10.443 6.151 ( -0.676 -5.252 9.031) 10.469 6.441 ( 6.581 5.149 18.395) 20.204 6.852 ( -2.314 4.049 -2.036) 5.089 8.008 ( -2.214 -1.108 -0.658) 2.561 8.135 ( 0.269 6.240 -6.641) 9.117 8.193 ( -6.964 5.044 -2.434) 8.937 8.622 ( -0.183 1.123 -2.774) 2.998 8.958 ( -1.572 -1.066 -3.949) 4.382 8.998 ( 0.183 5.244 0.149) 5.249 9.206 ( 3.221 2.238 6.993) 8.018 9.427 ( -8.809 1.329 2.013) 9.133 9.791 ( -2.153 -3.311 0.325) 3.963 10.693 ( -8.604 -18.282 -15.686) 25.580 12.520 ( -2.427 -0.809 -0.501) 2.607 12.726 ( -2.606 3.240 -3.437) 5.394 13.235 ( -0.130 -1.320 0.944) 1.627 13.446 ( -2.926 1.110 -0.825) 3.236 13.516 ( -0.448 2.187 1.364) 2.616 14.032 ( 5.900 0.773 -4.526) 7.476 14.154 ( 4.031 0.367 -2.352) 4.682 14.290 ( -1.313 -2.183 0.590) 2.614 14.446 ( 8.075 -5.559 -2.329) 10.076 15.232 ( -0.543 -3.561 -8.645) 9.366 16.835 ( 0.223 1.053 -0.080) 1.079 17.065 ( 0.454 2.644 -4.186) 4.972 18.728 ( 0.169 -0.165 7.894) 7.898 19.107 ( -0.480 1.271 9.693) 9.787 19.179 ( 2.831 1.098 16.049) 16.333 19.360 ( -0.053 -1.185 2.204) 2.503 19.699 ( -2.891 3.220 1.036) 4.450 19.892 ( -16.630 13.885 23.439) 31.917 20.299 ( -0.140 1.030 5.861) 5.952 20.543 ( 0.015 -1.543 4.673) 4.921 20.836 ( -0.989 -3.252 -0.580) 3.448 21.021 ( 5.482 10.948 3.433) 12.716 21.627 ( -0.222 -2.055 -5.892) 6.244 21.973 ( -2.444 1.833 -6.119) 6.840 24.979 ( -2.499 1.390 -0.218) 2.868 25.039 ( -1.019 0.633 -1.380) 1.829 30.051 ( 4.372 -1.211 0.688) 4.588 30.161 ( 3.805 -2.258 -0.939) 4.523 36.927 ( 3.901 -2.309 3.861) 5.954 37.617 ( 16.578 2.559 -7.062) 18.200 38.304 ( 0.406 4.139 2.885) 5.061 38.889 ( -2.492 0.780 -4.598) 5.287 39.815 ( -12.403 -5.516 -1.323) 13.639 40.247 ( -11.733 -10.154 -12.801) 20.116 40.519 ( 10.340 -0.323 -3.717) 10.993 41.135 ( 13.095 -16.734 -24.272) 32.259 ======================= Grid point 105 (36/80) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -0.760 -5.406 1.400) 5.636 1.872 ( 8.762 -6.455 0.697) 10.905 1.969 ( 2.912 -8.218 21.979) 23.645 2.205 ( -2.937 5.318 -3.119) 6.829 2.343 ( -3.100 10.762 10.664) 15.464 2.431 ( -0.370 1.230 6.156) 6.289 2.690 ( 1.422 -1.371 11.418) 11.588 3.188 ( 1.231 -1.335 -1.606) 2.424 3.283 ( -1.552 1.772 2.305) 3.296 3.518 ( 2.576 -10.184 -1.893) 10.674 3.575 ( 0.153 0.046 -1.752) 1.759 3.836 ( 12.911 -9.293 -2.074) 16.042 3.954 ( 0.164 -1.794 -0.123) 1.806 4.327 ( 1.528 10.057 -0.904) 10.212 4.449 ( -0.391 2.454 11.111) 11.385 4.787 ( 1.985 -1.816 13.634) 13.896 4.865 ( 6.852 -10.308 0.666) 12.395 4.942 ( -3.018 -3.962 2.078) 5.397 5.055 ( 4.680 -0.039 10.431) 11.433 5.232 ( -3.630 3.882 0.926) 5.395 5.388 ( 0.794 -0.294 -0.917) 1.248 5.486 ( -1.613 2.172 -3.504) 4.427 6.038 ( -0.409 -0.181 17.066) 17.072 6.222 ( 0.785 -0.134 13.527) 13.550 6.513 ( 4.421 -5.121 4.294) 8.013 6.724 ( -3.045 6.514 1.259) 7.300 8.015 ( -0.486 -1.096 1.306) 1.773 8.055 ( -1.462 1.389 -6.830) 7.122 8.088 ( -1.271 2.367 -7.215) 7.699 8.620 ( -0.366 -0.700 -1.357) 1.570 8.941 ( 1.616 1.990 -1.594) 3.018 8.953 ( -0.851 0.483 -2.560) 2.740 9.205 ( 4.226 3.637 5.133) 7.579 9.298 ( -8.187 -0.515 4.403) 9.310 9.789 ( -2.612 -1.057 0.979) 2.983 10.805 ( -2.584 -4.938 -12.299) 13.503 12.516 ( -0.723 -0.646 -0.844) 1.286 12.653 ( -1.776 1.403 -2.912) 3.688 13.276 ( 1.285 -2.463 -0.152) 2.782 13.373 ( -2.579 2.662 -1.374) 3.953 13.497 ( 0.091 0.437 3.095) 3.127 14.079 ( 2.412 -0.057 -4.156) 4.805 14.156 ( 0.124 0.927 0.555) 1.087 14.304 ( -0.395 -0.683 -0.627) 1.008 14.589 ( 3.585 -2.025 -3.981) 5.727 15.276 ( -0.070 -1.701 -9.292) 9.447 16.832 ( 0.651 0.184 -0.947) 1.164 17.027 ( -0.296 1.483 -3.917) 4.199 18.731 ( 0.042 -0.032 8.012) 8.013 19.086 ( -0.184 0.581 9.798) 9.817 19.215 ( 3.349 -0.580 14.735) 15.122 19.368 ( -0.907 0.065 9.105) 9.150 19.460 ( -7.138 6.161 19.340) 21.516 19.763 ( -0.539 0.099 0.774) 0.948 20.312 ( 0.969 -0.332 3.174) 3.335 20.563 ( 0.111 -0.617 4.629) 4.671 20.874 ( -2.233 -3.742 0.606) 4.399 20.934 ( 2.905 5.895 0.275) 6.578 21.651 ( -0.115 -0.881 -5.844) 5.911 21.929 ( -0.755 0.892 -6.558) 6.662 24.935 ( -1.033 0.855 0.227) 1.360 25.023 ( -0.586 0.081 -1.648) 1.752 30.106 ( 1.769 -0.610 0.800) 2.035 30.224 ( 1.603 -0.921 -0.955) 2.080 36.992 ( 1.750 -0.979 4.358) 4.797 37.734 ( 5.789 0.165 -5.936) 8.293 38.255 ( -0.022 1.799 3.108) 3.591 38.843 ( -1.556 0.962 -4.507) 4.864 39.771 ( -4.314 -1.821 0.682) 4.732 40.218 ( -4.567 -1.330 -8.277) 9.547 40.617 ( 4.176 -0.213 -4.182) 5.913 41.440 ( 3.752 -6.633 -26.347) 27.427 ======================= Grid point 110 (37/80) ======================= q-point: ( 0.14 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 23.285 0.000 12.059) 26.222 1.273 ( 27.161 0.000 10.524) 29.128 1.860 ( 13.809 0.000 29.473) 32.548 2.175 ( 1.609 0.000 -4.771) 5.035 2.527 ( -3.123 -0.000 16.042) 16.343 2.574 ( -2.410 -0.000 12.360) 12.593 2.616 ( 0.064 0.000 2.900) 2.901 2.988 ( 3.733 0.000 -1.256) 3.939 3.346 ( 9.413 0.000 0.404) 9.422 3.425 ( 0.485 0.000 -2.092) 2.147 3.651 ( 0.964 0.000 -3.386) 3.521 3.742 ( 24.162 0.000 -3.064) 24.356 3.803 ( 0.121 0.000 4.599) 4.601 4.054 ( 10.986 0.000 1.745) 11.124 4.339 ( 3.277 0.000 3.335) 4.676 4.419 ( 6.000 0.000 -1.227) 6.124 4.625 ( 12.915 0.000 9.212) 15.864 4.792 ( 3.893 0.000 -7.098) 8.095 5.204 ( -5.059 -0.000 14.445) 15.305 5.204 ( -5.166 -0.000 2.846) 5.898 5.414 ( -0.363 -0.000 -0.925) 0.994 5.674 ( 0.113 0.000 -4.386) 4.387 5.894 ( 3.478 0.000 -6.340) 7.231 6.206 ( -4.152 -0.000 22.676) 23.053 6.661 ( 2.801 0.000 22.571) 22.744 6.893 ( -1.680 -0.000 -7.665) 7.847 7.968 ( -7.220 -0.000 -0.730) 7.256 8.276 ( 1.929 0.000 -9.176) 9.377 8.378 ( -15.661 -0.000 -2.087) 15.800 8.832 ( -3.263 -0.000 -12.110) 12.541 8.898 ( -8.698 -0.000 9.262) 12.706 9.123 ( -0.184 -0.000 0.683) 0.707 9.196 ( -3.436 -0.000 10.268) 10.828 9.472 ( -7.472 -0.000 -0.461) 7.486 9.486 ( 1.294 0.000 -0.517) 1.394 10.127 ( 17.211 0.000 -4.160) 17.707 12.482 ( -7.731 -0.000 1.010) 7.796 12.807 ( -1.850 -0.000 -6.116) 6.390 13.225 ( 0.217 0.000 1.478) 1.494 13.455 ( -2.089 -0.000 0.863) 2.260 13.594 ( 0.050 0.000 -0.332) 0.335 14.046 ( 1.799 0.000 -0.076) 1.800 14.127 ( 6.571 0.000 -5.858) 8.803 14.262 ( 12.778 0.000 -11.605) 17.261 14.293 ( -0.654 -0.000 7.264) 7.294 15.183 ( 2.717 0.000 -8.120) 8.562 16.847 ( -2.610 -0.000 0.672) 2.695 17.120 ( 0.550 0.000 -4.943) 4.973 18.725 ( 0.452 0.000 7.994) 8.007 19.134 ( -0.672 -0.000 9.115) 9.140 19.217 ( 2.804 0.000 20.074) 20.269 19.326 ( 0.057 0.000 -1.643) 1.644 19.717 ( 0.165 0.000 -2.835) 2.840 20.210 ( 0.250 0.000 0.224) 0.335 20.344 ( -34.216 -0.000 21.742) 40.539 20.509 ( 1.172 0.000 4.673) 4.818 20.782 ( -0.023 -0.000 -0.781) 0.781 21.456 ( -11.939 -0.000 5.927) 13.329 21.555 ( -1.670 -0.000 -6.742) 6.945 21.952 ( -2.996 -0.000 -3.067) 4.288 24.997 ( -2.548 -0.000 0.195) 2.555 25.072 ( -0.073 -0.000 -0.993) 0.996 30.049 ( 7.273 0.000 -0.420) 7.285 30.123 ( 6.390 0.000 -0.813) 6.442 36.875 ( 4.893 0.000 4.011) 6.327 37.975 ( 38.474 0.000 -30.883) 49.336 38.446 ( 5.770 0.000 -1.505) 5.963 38.862 ( -2.369 -0.000 -4.166) 4.792 39.269 ( -8.182 -0.000 3.909) 9.068 39.816 ( -11.841 -0.000 -4.036) 12.510 40.563 ( 15.614 0.000 -2.785) 15.861 40.884 ( 9.491 0.000 -6.570) 11.543 ======================= Grid point 111 (38/80) ======================= q-point: ( 0.29 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 22.923 -1.819 5.913) 23.743 1.641 ( 10.526 -8.993 18.943) 23.462 2.076 ( 5.742 5.108 0.021) 7.685 2.292 ( 13.577 -7.595 4.379) 16.161 2.430 ( -4.582 0.964 -0.418) 4.701 2.568 ( 0.951 -0.086 32.816) 32.830 2.663 ( 3.933 -4.772 2.967) 6.858 2.991 ( 8.979 6.420 1.119) 11.095 3.350 ( -0.935 4.406 0.586) 4.542 3.441 ( 2.098 0.822 -0.087) 2.255 3.604 ( -3.820 0.747 -3.564) 5.278 3.873 ( 7.024 -2.663 5.537) 9.332 3.938 ( 22.513 12.719 -2.937) 26.023 4.356 ( 12.238 -10.429 0.418) 16.085 4.458 ( 13.486 -5.085 3.851) 14.918 4.548 ( 7.219 -2.976 -1.650) 7.981 4.759 ( 8.963 0.523 11.245) 14.390 4.836 ( 2.607 0.257 -5.223) 5.844 5.139 ( -3.599 0.607 14.944) 15.383 5.166 ( -4.008 -3.533 1.186) 5.473 5.381 ( -4.242 0.307 0.460) 4.278 5.639 ( 2.305 5.562 -4.894) 7.760 6.022 ( 4.665 -7.820 -5.909) 10.855 6.112 ( -3.848 4.070 23.716) 24.369 6.625 ( 3.907 7.063 20.756) 22.270 6.864 ( -2.324 1.187 -5.326) 5.931 7.890 ( -9.109 -3.814 -0.191) 9.877 8.147 ( -12.211 4.608 -1.758) 13.170 8.264 ( 2.418 4.493 -9.832) 11.077 8.643 ( -4.240 5.943 -0.707) 7.334 8.896 ( -3.712 -4.216 -0.917) 5.692 9.082 ( 0.768 4.123 1.960) 4.629 9.219 ( 0.606 -2.749 6.141) 6.755 9.408 ( -4.561 3.552 -0.003) 5.781 9.569 ( -7.319 -10.785 1.014) 13.073 10.436 ( 11.052 -12.171 -7.644) 18.130 12.411 ( -7.517 -3.573 0.921) 8.374 12.734 ( -5.194 2.575 -5.069) 7.701 13.243 ( 3.066 0.172 0.069) 3.072 13.426 ( -2.445 0.190 -1.011) 2.653 13.560 ( -0.587 2.897 1.959) 3.545 14.075 ( 2.496 -0.159 -0.252) 2.513 14.204 ( 2.095 -2.797 -3.509) 4.952 14.249 ( -0.700 2.418 2.600) 3.619 14.434 ( 2.846 -5.267 -8.054) 10.035 15.265 ( 10.325 0.344 -11.777) 15.666 16.813 ( -3.425 -0.799 0.345) 3.534 17.100 ( -1.249 1.848 -5.529) 5.962 18.730 ( 0.395 0.006 8.189) 8.199 19.118 ( -0.666 0.842 9.345) 9.407 19.240 ( 3.337 1.540 18.334) 18.698 19.340 ( 0.269 -1.291 1.526) 2.017 19.710 ( -1.793 1.861 -0.349) 2.608 19.856 ( -21.244 9.146 25.041) 34.088 20.251 ( -1.808 -3.335 2.629) 4.616 20.533 ( 1.430 -0.788 4.594) 4.875 20.785 ( -1.576 -1.274 -0.231) 2.040 21.223 ( -3.928 9.963 2.875) 11.089 21.576 ( -1.401 -3.259 -6.315) 7.243 21.922 ( -4.918 -1.342 -4.464) 6.776 24.961 ( -2.629 0.402 0.340) 2.681 25.060 ( 0.718 1.643 -1.249) 2.185 30.124 ( 6.371 1.225 0.271) 6.493 30.211 ( 6.791 -0.084 -0.836) 6.843 36.954 ( 5.705 -1.034 4.801) 7.528 38.090 ( 20.742 19.875 -16.320) 33.039 38.408 ( 3.123 8.471 -0.242) 9.032 38.849 ( -3.442 -1.066 -4.121) 5.474 39.453 ( -12.505 -18.496 -5.103) 22.902 39.837 ( -7.815 -17.771 -10.727) 22.180 40.719 ( 13.841 3.280 -3.559) 14.663 41.080 ( 11.291 -8.551 -11.229) 18.074 ======================= Grid point 112 (39/80) ======================= q-point: ( 0.43 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 5.373 -3.363 2.394) 6.776 1.879 ( 5.680 -7.605 18.923) 21.170 2.020 ( 11.900 5.680 -0.804) 13.211 2.289 ( -0.508 4.859 -0.795) 4.949 2.472 ( 0.328 0.521 7.045) 7.072 2.556 ( 2.291 7.643 22.292) 23.677 2.743 ( 6.533 5.326 4.050) 9.352 3.198 ( 9.714 -10.284 0.670) 14.162 3.262 ( -2.760 2.111 1.904) 3.962 3.473 ( 6.241 -1.662 -1.917) 6.737 3.567 ( -1.704 -0.356 -1.197) 2.112 3.904 ( 0.361 1.835 -0.017) 1.870 4.046 ( 19.369 6.701 -0.104) 20.496 4.472 ( 1.732 1.154 9.974) 10.188 4.542 ( -0.473 10.235 -3.931) 10.975 4.797 ( 5.771 -2.032 8.435) 10.421 4.840 ( 6.664 -5.654 0.022) 8.739 4.877 ( 7.372 -1.996 5.058) 9.161 5.107 ( 0.475 0.759 12.490) 12.522 5.207 ( -2.134 -2.133 0.023) 3.017 5.338 ( -3.346 -2.384 -0.516) 4.140 5.557 ( 0.723 6.431 -3.921) 7.566 6.027 ( -1.687 1.198 21.306) 21.406 6.200 ( 2.904 -5.513 -0.676) 6.268 6.566 ( 4.030 4.341 17.283) 18.270 6.784 ( -2.929 4.838 -2.941) 6.374 7.886 ( -7.438 -7.466 0.549) 10.553 7.984 ( -6.913 0.575 -4.414) 8.222 8.212 ( 3.519 5.356 -8.661) 10.774 8.553 ( -4.749 -0.915 -1.537) 5.075 8.931 ( -1.089 -3.187 0.206) 3.374 9.013 ( -0.579 3.711 0.022) 3.756 9.205 ( -8.566 3.603 1.508) 9.414 9.323 ( 6.554 1.672 4.707) 8.240 9.655 ( -3.689 -8.577 1.588) 9.471 10.719 ( 6.731 -8.636 -10.139) 14.923 12.420 ( -4.790 -6.132 0.345) 7.789 12.641 ( -3.659 1.048 -3.537) 5.195 13.297 ( 5.800 -0.211 -0.931) 5.878 13.386 ( -1.768 1.701 -1.530) 2.891 13.511 ( -0.712 1.685 3.295) 3.769 14.094 ( 0.005 0.564 -2.173) 2.245 14.177 ( -1.787 2.457 -0.558) 3.089 14.270 ( -0.290 -2.575 -0.901) 2.744 14.513 ( -4.069 -5.651 -2.046) 7.258 15.377 ( 11.872 3.621 -13.347) 18.226 16.792 ( -4.043 -1.948 -0.386) 4.504 17.041 ( -2.323 1.937 -4.655) 5.552 18.733 ( 0.176 0.105 8.321) 8.324 19.095 ( -0.501 0.902 9.654) 9.709 19.252 ( 1.623 1.327 13.831) 13.989 19.365 ( 1.105 -0.612 10.557) 10.632 19.468 ( -8.637 6.506 20.610) 23.274 19.752 ( -0.453 -0.644 -0.138) 0.799 20.279 ( -1.910 -2.368 2.482) 3.926 20.562 ( 1.178 -0.556 4.457) 4.643 20.782 ( -3.711 -2.635 0.659) 4.599 21.068 ( 0.130 6.714 0.347) 6.725 21.617 ( -0.402 -2.821 -6.367) 6.976 21.885 ( -4.652 -1.663 -5.824) 7.637 24.927 ( -1.614 0.263 0.518) 1.715 25.049 ( 2.085 1.547 -1.636) 3.069 30.159 ( 3.925 2.325 0.743) 4.622 30.270 ( 4.516 1.601 -0.916) 4.878 37.020 ( 3.560 0.613 5.260) 6.381 37.994 ( 12.183 15.710 -8.795) 21.739 38.310 ( -0.014 5.196 1.874) 5.523 38.820 ( -2.666 -0.606 -4.248) 5.052 39.535 ( -9.866 -12.295 -0.925) 15.791 40.028 ( -5.710 -13.858 -11.445) 18.859 40.780 ( 9.438 6.906 -3.941) 12.341 41.355 ( 5.381 -9.454 -18.482) 21.446 ======================= Grid point 113 (40/80) ======================= q-point: (-0.43 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -7.811 -2.436 3.930) 9.077 2.009 ( 1.828 -1.520 15.981) 16.157 2.093 ( 4.302 12.119 0.197) 12.861 2.290 ( 6.775 -4.609 9.227) 12.340 2.367 ( 6.088 13.510 2.929) 15.105 2.471 ( 2.410 1.632 13.120) 13.439 2.742 ( 4.735 4.391 7.781) 10.112 3.239 ( -0.123 -1.069 2.974) 3.163 3.304 ( 4.787 2.428 -2.218) 5.808 3.564 ( -1.147 1.800 -5.195) 5.617 3.572 ( 0.522 -0.520 0.535) 0.910 3.904 ( -4.362 -2.914 -1.516) 5.461 4.056 ( 3.096 18.883 -5.791) 19.992 4.286 ( -1.341 10.008 -2.169) 10.328 4.450 ( 2.539 0.549 12.294) 12.565 4.819 ( 0.432 3.065 15.453) 15.760 4.894 ( 0.841 -4.058 6.440) 7.658 5.004 ( -1.179 3.488 2.432) 4.412 5.075 ( -2.516 6.138 1.247) 6.750 5.210 ( 3.912 -2.986 2.627) 5.579 5.339 ( -3.778 -1.832 0.543) 4.234 5.500 ( 1.702 0.805 -2.707) 3.297 6.018 ( -1.021 -1.676 18.700) 18.803 6.235 ( 0.283 2.223 12.893) 13.087 6.590 ( 0.628 4.643 0.201) 4.690 6.669 ( -0.184 -0.762 4.629) 4.695 7.928 ( -5.339 -6.670 -0.245) 8.547 7.955 ( -3.013 -3.898 -5.193) 7.158 8.196 ( 5.982 3.398 -6.409) 9.403 8.542 ( -5.292 -4.579 -1.225) 7.104 8.933 ( -0.969 2.332 -0.226) 2.535 8.976 ( 0.998 0.822 -3.396) 3.634 9.082 ( -5.972 -3.230 3.958) 7.859 9.420 ( 10.101 0.171 3.502) 10.692 9.752 ( -0.890 -5.542 1.607) 5.839 10.897 ( 7.605 -3.241 -13.088) 15.480 12.468 ( -2.592 -4.398 0.040) 5.105 12.631 ( -0.060 -2.651 -2.829) 3.877 13.326 ( -0.468 3.417 -0.186) 3.454 13.390 ( 7.304 -1.006 -1.739) 7.575 13.491 ( -0.343 0.013 2.698) 2.719 14.028 ( -7.685 1.120 -6.187) 9.929 14.148 ( -0.336 0.121 0.991) 1.053 14.296 ( -0.554 -1.464 0.684) 1.708 14.519 ( -5.281 -1.876 0.531) 5.629 15.415 ( 8.355 6.885 -12.428) 16.483 16.774 ( -4.486 -2.384 -0.293) 5.088 17.004 ( -1.400 -0.462 -3.819) 4.094 18.732 ( 0.058 0.105 8.233) 8.234 19.083 ( -0.099 0.046 9.740) 9.741 19.196 ( -3.428 2.404 15.226) 15.791 19.382 ( 0.580 0.417 8.088) 8.119 19.443 ( 5.178 -4.857 20.913) 22.085 19.761 ( 0.289 -0.660 0.652) 0.972 20.270 ( -3.995 -0.938 2.239) 4.674 20.577 ( 0.941 0.297 4.436) 4.545 20.795 ( -3.861 -4.559 1.641) 6.195 20.985 ( 1.398 5.174 -0.762) 5.414 21.653 ( 0.742 -1.090 -6.240) 6.378 21.873 ( -3.541 -3.306 -6.946) 8.468 24.923 ( 0.026 -1.203 0.478) 1.295 25.057 ( 2.761 1.259 -2.126) 3.705 30.138 ( 0.781 3.677 0.869) 3.858 30.263 ( 1.360 3.615 -1.002) 3.991 37.011 ( 0.014 2.944 5.176) 5.955 37.847 ( 2.928 13.997 -6.352) 15.647 38.252 ( -0.109 1.613 2.924) 3.342 38.828 ( 0.334 -2.235 -4.504) 5.039 39.652 ( -4.488 -12.601 0.424) 13.383 40.188 ( 1.172 -10.120 -9.434) 13.885 40.716 ( 3.410 10.393 -4.156) 11.701 41.463 ( -1.183 0.055 -22.889) 22.920 ======================= Grid point 114 (41/80) ======================= q-point: (-0.29 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -6.068 -13.046 5.003) 15.233 1.783 ( 1.584 24.921 4.908) 25.449 1.918 ( -1.412 12.253 21.784) 25.034 2.311 ( 2.952 0.823 -2.980) 4.274 2.451 ( 4.364 -1.379 16.622) 17.241 2.492 ( 1.477 -0.676 5.687) 5.914 2.741 ( 8.559 5.694 4.470) 11.210 3.171 ( -1.490 13.727 1.572) 13.896 3.268 ( -10.962 11.246 -2.262) 15.867 3.412 ( -4.204 -2.307 1.792) 5.119 3.570 ( 7.560 7.036 -3.311) 10.845 3.688 ( 1.491 6.196 -0.111) 6.374 3.872 ( -7.666 6.813 -6.648) 12.222 4.140 ( -7.524 0.268 0.226) 7.533 4.504 ( 2.559 1.766 6.668) 7.358 4.704 ( -5.546 15.907 4.711) 17.492 4.756 ( -0.405 5.236 10.354) 11.609 4.986 ( 0.149 5.482 1.158) 5.605 5.034 ( 2.280 -6.267 12.142) 13.852 5.272 ( 0.773 -1.356 3.871) 4.173 5.331 ( -2.969 -1.991 -1.851) 4.026 5.554 ( 2.534 -3.332 -3.977) 5.774 6.046 ( 0.366 -1.760 15.581) 15.685 6.197 ( -0.995 0.767 17.906) 17.950 6.411 ( -3.016 9.600 2.415) 10.349 6.786 ( 1.560 -6.646 1.491) 6.987 7.975 ( -1.883 -4.509 -2.782) 5.623 8.019 ( -0.966 -6.315 -4.192) 7.641 8.237 ( 5.618 0.680 -2.419) 6.154 8.557 ( -4.011 -4.456 -2.736) 6.590 8.925 ( 0.396 -3.089 0.300) 3.129 8.989 ( 1.436 0.265 -5.137) 5.341 9.108 ( -2.712 -4.418 5.530) 7.580 9.547 ( 10.576 0.029 1.397) 10.668 9.773 ( -5.252 -0.869 1.820) 5.626 11.017 ( 9.957 2.879 -19.792) 22.342 12.498 ( -1.469 -2.622 0.358) 3.027 12.701 ( 1.507 -3.609 -2.741) 4.776 13.274 ( 0.192 2.445 0.903) 2.613 13.472 ( 1.752 -0.198 1.464) 2.291 13.524 ( 6.953 -0.620 -2.830) 7.533 13.896 ( -12.435 -0.551 -6.602) 14.089 14.139 ( -0.700 0.842 0.732) 1.317 14.307 ( -0.329 -0.484 2.938) 2.995 14.450 ( -3.287 3.301 0.754) 4.719 15.362 ( 3.555 7.937 -10.840) 13.898 16.778 ( -2.206 -3.357 0.350) 4.032 17.015 ( -0.841 -2.174 -3.463) 4.174 18.730 ( 0.008 0.191 7.937) 7.939 19.093 ( 0.358 -1.018 9.508) 9.569 19.141 ( -1.907 0.226 15.727) 15.843 19.377 ( 0.131 0.728 2.762) 2.859 19.657 ( 4.465 -8.319 11.254) 14.690 19.827 ( 5.795 -9.412 19.378) 22.309 20.228 ( -4.936 -1.257 2.064) 5.496 20.575 ( 0.878 1.229 4.595) 4.836 20.825 ( -4.122 -4.522 2.234) 6.514 20.918 ( 0.717 4.705 -1.167) 4.900 21.661 ( 0.743 1.332 -5.924) 6.117 21.916 ( -1.162 -5.361 -7.525) 9.312 24.965 ( 0.990 -2.804 0.011) 2.973 25.066 ( 1.792 1.277 -2.393) 3.251 30.066 ( -1.100 4.380 0.912) 4.608 30.194 ( -0.680 4.752 -1.048) 4.914 36.938 ( -1.932 3.963 4.635) 6.397 37.615 ( -2.965 13.436 -4.964) 14.627 38.252 ( -0.135 -1.646 3.401) 3.781 38.884 ( 1.261 -2.585 -4.838) 5.628 39.835 ( 1.078 -12.039 0.725) 12.109 40.391 ( 7.342 -6.763 -9.366) 13.688 40.533 ( -2.644 11.058 -4.770) 12.330 41.303 ( -5.467 15.389 -28.711) 33.031 ======================= Grid point 115 (42/80) ======================= q-point: (-0.14 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 0.000 27.706 10.176) 29.516 1.616 ( 0.000 22.770 16.206) 27.948 1.902 ( -0.000 -16.397 1.752) 16.490 2.208 ( 0.000 23.701 12.788) 26.931 2.431 ( -0.000 -2.032 -4.563) 4.995 2.523 ( -0.000 -1.502 27.354) 27.395 2.668 ( 0.000 3.145 4.143) 5.201 2.975 ( 0.000 3.690 1.978) 4.186 3.031 ( 0.000 2.597 -4.771) 5.431 3.461 ( -0.000 -0.873 0.650) 1.088 3.551 ( 0.000 12.869 -9.178) 15.806 3.613 ( 0.000 0.980 -1.147) 1.509 3.749 ( -0.000 -6.859 1.631) 7.050 4.132 ( -0.000 -4.000 2.074) 4.505 4.376 ( 0.000 18.788 5.477) 19.570 4.450 ( 0.000 4.612 5.051) 6.840 4.656 ( 0.000 7.546 7.012) 10.302 4.876 ( 0.000 6.860 -4.094) 7.989 5.167 ( -0.000 -6.358 18.214) 19.291 5.298 ( -0.000 -0.933 3.597) 3.716 5.331 ( -0.000 -1.052 -4.322) 4.448 5.637 ( -0.000 -3.820 -5.342) 6.567 6.027 ( 0.000 5.723 1.130) 5.833 6.248 ( -0.000 -8.162 23.622) 24.992 6.272 ( 0.000 2.707 15.173) 15.412 6.882 ( -0.000 -3.635 -1.986) 4.142 8.023 ( -0.000 -2.266 -2.355) 3.268 8.122 ( -0.000 -6.503 -5.639) 8.607 8.318 ( -0.000 -7.409 2.589) 7.849 8.597 ( -0.000 -2.697 -5.065) 5.738 8.985 ( 0.000 0.835 -5.347) 5.412 9.019 ( -0.000 -6.369 0.264) 6.375 9.147 ( -0.000 -2.683 6.592) 7.117 9.658 ( 0.000 4.850 3.848) 6.191 9.667 ( -0.000 -1.411 -1.704) 2.212 10.931 ( 0.000 19.922 -28.550) 34.814 12.530 ( -0.000 -2.571 0.907) 2.726 12.756 ( -0.000 -1.731 -2.602) 3.125 13.251 ( 0.000 0.847 1.595) 1.806 13.481 ( -0.000 -0.099 2.814) 2.816 13.590 ( 0.000 0.625 -6.975) 7.003 13.809 ( -0.000 -1.884 -3.300) 3.800 14.092 ( 0.000 3.804 0.322) 3.817 14.305 ( 0.000 0.398 4.865) 4.882 14.357 ( 0.000 5.542 -0.274) 5.549 15.264 ( 0.000 5.809 -8.913) 10.639 16.823 ( -0.000 -3.177 0.548) 3.224 17.049 ( -0.000 -2.542 -3.081) 3.994 18.726 ( 0.000 0.338 7.756) 7.763 19.118 ( -0.000 -1.429 8.415) 8.535 19.138 ( -0.000 -1.252 16.924) 16.970 19.361 ( 0.000 1.336 1.503) 2.011 19.717 ( -0.000 -0.398 -2.752) 2.781 20.195 ( -0.000 -0.430 -0.357) 0.559 20.317 ( -0.000 -32.995 34.927) 48.048 20.586 ( -0.000 -5.570 9.280) 10.823 20.839 ( -0.000 -1.905 1.350) 2.335 20.849 ( 0.000 3.890 -1.200) 4.071 21.632 ( 0.000 2.388 -5.957) 6.418 22.001 ( -0.000 -4.832 -6.887) 8.413 25.020 ( -0.000 -2.162 -0.921) 2.350 25.060 ( 0.000 0.334 -1.763) 1.794 29.988 ( 0.000 3.640 0.893) 3.748 30.111 ( 0.000 4.175 -1.002) 4.293 36.861 ( 0.000 3.108 3.943) 5.021 37.376 ( 0.000 11.290 -3.477) 11.813 38.298 ( -0.000 -3.798 3.259) 5.005 38.922 ( -0.000 -0.817 -4.799) 4.868 40.051 ( -0.000 -10.905 0.789) 10.933 40.249 ( 0.000 16.149 -7.934) 17.992 40.616 ( -0.000 -8.328 -8.032) 11.570 40.809 ( 0.000 37.814 -31.721) 49.357 ======================= Grid point 118 (43/80) ======================= q-point: ( 0.29 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 17.643 0.000 4.823) 18.290 1.691 ( 10.564 0.000 18.839) 21.599 2.281 ( 7.730 0.000 -1.127) 7.812 2.334 ( 1.213 0.000 6.491) 6.604 2.437 ( 15.770 0.000 -1.670) 15.859 2.565 ( -0.396 -0.000 32.175) 32.177 2.627 ( 0.754 0.000 3.148) 3.237 3.181 ( 10.326 0.000 0.560) 10.342 3.397 ( -2.248 -0.000 0.184) 2.256 3.417 ( -2.013 -0.000 5.869) 6.205 3.525 ( -8.431 -0.000 -6.040) 10.371 3.979 ( 12.133 0.000 6.240) 13.644 4.416 ( 9.969 0.000 -0.168) 9.970 4.455 ( 18.548 0.000 -1.869) 18.642 4.507 ( 19.631 0.000 -1.088) 19.661 4.659 ( 16.594 0.000 1.950) 16.708 4.865 ( 3.801 0.000 11.252) 11.877 4.869 ( 1.446 0.000 -0.869) 1.687 5.078 ( -3.583 -0.000 -3.137) 4.762 5.091 ( -1.503 -0.000 10.168) 10.279 5.334 ( -4.163 -0.000 5.731) 7.084 5.753 ( 4.716 0.000 -5.573) 7.301 5.990 ( 3.919 0.000 -6.027) 7.189 6.109 ( -3.584 -0.000 24.345) 24.607 6.723 ( 2.333 0.000 21.037) 21.166 6.846 ( -1.944 -0.000 -7.412) 7.662 7.715 ( -11.963 -0.000 0.226) 11.965 8.021 ( -12.811 -0.000 -3.421) 13.260 8.343 ( 3.275 0.000 -11.605) 12.058 8.686 ( -7.248 -0.000 14.755) 16.440 8.728 ( -5.028 -0.000 -11.977) 12.990 9.153 ( -0.851 -0.000 6.947) 6.999 9.155 ( -1.211 -0.000 1.712) 2.097 9.376 ( 2.546 0.000 -2.254) 3.400 9.476 ( -2.257 -0.000 2.705) 3.523 10.492 ( 11.633 0.000 -6.201) 13.182 12.276 ( -7.919 -0.000 1.775) 8.115 12.677 ( -6.849 -0.000 -5.217) 8.609 13.308 ( 6.902 0.000 -1.089) 6.988 13.399 ( -1.726 -0.000 -1.562) 2.328 13.567 ( -2.277 -0.000 3.090) 3.839 14.108 ( 2.806 0.000 0.666) 2.884 14.190 ( 1.047 0.000 -2.602) 2.804 14.289 ( 0.603 0.000 7.140) 7.166 14.339 ( -8.025 -0.000 -9.840) 12.697 15.448 ( 16.461 0.000 -17.384) 23.941 16.749 ( -5.124 -0.000 0.862) 5.195 17.087 ( -3.403 -0.000 -6.167) 7.044 18.736 ( 0.345 0.000 8.588) 8.595 19.116 ( -0.852 -0.000 9.364) 9.403 19.303 ( 3.915 0.000 23.587) 23.909 19.328 ( 0.104 0.000 -1.468) 1.472 19.671 ( -18.454 -0.000 28.639) 34.069 19.723 ( 0.332 0.000 -2.788) 2.807 20.204 ( -0.850 -0.000 0.821) 1.182 20.547 ( 1.784 0.000 4.464) 4.807 20.744 ( -3.915 -0.000 0.462) 3.942 21.230 ( -6.600 -0.000 1.668) 6.808 21.529 ( 0.177 0.000 -7.545) 7.547 21.846 ( -5.519 -0.000 -4.421) 7.071 24.934 ( -2.219 -0.000 0.780) 2.352 25.090 ( 1.551 0.000 -1.710) 2.309 30.214 ( 5.795 0.000 0.398) 5.809 30.300 ( 7.107 0.000 -0.801) 7.152 37.029 ( 7.020 0.000 6.114) 9.309 38.357 ( 3.526 0.000 -3.840) 5.213 38.761 ( 9.840 0.000 -25.425) 27.263 38.782 ( -3.851 -0.000 -3.667) 5.317 39.056 ( -8.132 -0.000 3.388) 8.809 39.606 ( -4.946 -0.000 -9.150) 10.402 40.909 ( 11.994 0.000 -3.976) 12.636 41.136 ( 9.814 0.000 -6.644) 11.851 ======================= Grid point 119 (44/80) ======================= q-point: ( 0.43 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 7.863 4.797 6.915) 11.518 1.867 ( 7.287 -3.396 14.408) 16.500 2.240 ( 1.352 3.054 4.129) 5.310 2.375 ( 6.580 1.863 1.884) 7.094 2.492 ( 3.189 6.018 1.389) 6.951 2.583 ( 0.599 -2.035 28.272) 28.352 2.851 ( 8.022 -7.359 0.552) 10.900 3.206 ( 0.746 4.890 3.186) 5.883 3.347 ( 6.656 0.816 0.293) 6.712 3.435 ( -2.668 -4.230 -4.508) 6.733 3.496 ( -2.273 -4.426 2.570) 5.600 4.028 ( 4.447 8.634 3.168) 10.215 4.470 ( 12.408 6.598 -0.063) 14.053 4.543 ( 11.342 6.481 3.240) 13.459 4.652 ( 2.957 2.890 -0.016) 4.135 4.825 ( -1.242 1.244 6.230) 6.474 4.875 ( 2.983 -0.435 3.997) 5.006 4.999 ( 12.523 -0.897 0.012) 12.555 5.076 ( 3.501 -2.728 1.122) 4.578 5.160 ( 3.282 -3.904 6.455) 8.226 5.279 ( -3.373 0.488 5.837) 6.760 5.703 ( 1.992 9.305 -5.838) 11.164 6.038 ( -2.218 2.527 25.514) 25.735 6.129 ( 3.594 -7.739 -5.820) 10.329 6.698 ( 2.414 5.575 20.087) 20.986 6.810 ( -1.883 2.022 -6.194) 6.782 7.642 ( -9.984 -7.510 1.100) 12.541 7.891 ( -8.073 -1.043 -4.723) 9.411 8.336 ( 3.251 4.878 -9.174) 10.887 8.524 ( -4.764 4.408 -0.109) 6.491 8.794 ( -3.876 -8.689 0.858) 9.553 9.045 ( -3.354 4.042 2.163) 5.681 9.179 ( -4.372 0.854 1.154) 4.601 9.420 ( 4.664 0.887 3.642) 5.983 9.505 ( 1.621 -6.161 0.855) 6.428 10.671 ( 6.644 -7.029 -8.239) 12.705 12.245 ( -5.296 -6.103 1.707) 8.259 12.598 ( -4.719 0.123 -4.230) 6.338 13.382 ( 1.488 0.754 -1.243) 2.080 13.411 ( 8.688 0.518 -1.937) 8.916 13.521 ( -2.548 1.441 3.341) 4.442 14.099 ( -5.226 2.670 -3.818) 7.001 14.170 ( -4.344 0.248 -2.351) 4.946 14.233 ( 0.505 -0.548 1.386) 1.574 14.370 ( -1.488 -5.680 3.422) 6.796 15.609 ( 13.665 3.748 -19.042) 23.736 16.700 ( -5.094 -1.605 0.720) 5.389 17.028 ( -3.958 1.081 -5.291) 6.696 18.737 ( 0.121 0.152 8.886) 8.888 19.100 ( -0.775 0.584 9.689) 9.737 19.296 ( 0.007 2.740 10.269) 10.628 19.368 ( 1.907 -1.527 14.965) 15.163 19.462 ( -6.730 4.092 23.631) 24.909 19.736 ( 0.062 -0.817 -1.851) 2.024 20.214 ( -1.676 -2.267 1.409) 3.152 20.571 ( 1.432 -0.319 4.283) 4.527 20.693 ( -5.547 -1.407 1.054) 5.819 21.139 ( -1.971 3.411 -0.326) 3.953 21.569 ( 1.430 -2.812 -7.346) 7.995 21.788 ( -5.931 -1.607 -5.538) 8.272 24.910 ( -1.363 0.072 1.013) 1.700 25.101 ( 2.184 1.064 -2.074) 3.194 30.253 ( 3.905 2.510 0.751) 4.702 30.362 ( 4.910 1.840 -0.881) 5.316 37.096 ( 5.150 1.647 6.833) 8.714 38.339 ( 3.579 6.416 -2.669) 7.817 38.512 ( 3.437 21.105 -8.601) 23.048 38.760 ( -3.326 -1.917 -3.682) 5.319 39.204 ( -7.480 -14.469 -2.311) 16.451 39.708 ( -3.064 -15.204 -13.723) 20.709 40.994 ( 8.167 4.896 -4.105) 10.369 41.295 ( 6.204 -5.890 -9.541) 12.815 ======================= Grid point 120 (45/80) ======================= q-point: ( 0.57 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -1.603 11.139 6.579) 13.036 1.991 ( 2.926 -3.445 11.990) 12.813 2.282 ( 1.780 -3.325 14.285) 14.774 2.383 ( 8.892 10.859 -2.889) 14.329 2.436 ( -1.915 0.770 2.695) 3.395 2.596 ( 0.796 3.799 24.480) 24.786 2.897 ( 3.923 2.695 2.191) 5.239 3.165 ( -2.444 -3.111 2.434) 4.645 3.440 ( 8.216 4.274 -2.517) 9.597 3.547 ( 0.308 -2.640 3.600) 4.475 3.582 ( 1.978 -9.850 -9.661) 13.939 3.828 ( -5.896 11.091 1.279) 12.626 4.453 ( 4.138 16.338 -1.780) 16.947 4.483 ( -0.637 8.814 4.090) 9.737 4.588 ( 12.862 9.992 -1.782) 16.384 4.827 ( 0.450 -2.804 5.479) 6.172 4.882 ( 0.746 1.885 13.705) 13.854 4.989 ( -7.572 1.187 -0.147) 7.666 5.167 ( 4.240 3.018 3.746) 6.413 5.221 ( 1.792 -0.705 3.429) 3.933 5.272 ( -0.493 -1.010 2.976) 3.181 5.567 ( 0.201 6.580 -3.058) 7.258 5.991 ( -1.000 0.427 22.862) 22.888 6.257 ( 1.489 -2.426 -0.213) 2.854 6.643 ( 2.013 2.686 17.515) 17.834 6.724 ( -1.586 5.969 -4.675) 7.746 7.703 ( -5.600 -11.001 2.247) 12.547 7.870 ( -2.268 -3.290 -6.090) 7.284 8.310 ( 4.345 2.508 -5.499) 7.444 8.429 ( -4.957 0.406 -3.363) 6.004 8.897 ( -1.204 -7.278 2.879) 7.919 8.977 ( -1.294 0.795 -1.227) 1.952 9.041 ( -3.660 6.305 -0.406) 7.301 9.520 ( 7.453 -2.603 4.080) 8.886 9.628 ( -1.037 -6.633 1.069) 6.798 10.861 ( 3.450 -8.533 -11.398) 14.650 12.327 ( -2.242 -8.384 1.246) 8.768 12.578 ( -1.285 -2.326 -3.111) 4.092 13.366 ( 0.199 2.434 0.295) 2.460 13.474 ( -0.585 0.511 2.079) 2.219 13.533 ( 11.541 1.022 -2.967) 11.960 13.926 ( -13.106 2.023 -6.238) 14.655 14.151 ( -0.019 0.574 0.901) 1.069 14.257 ( -0.430 -1.916 2.709) 3.346 14.438 ( -0.743 -3.580 3.262) 4.900 15.641 ( 7.004 7.737 -17.657) 20.511 16.677 ( -3.706 -2.383 0.785) 4.475 16.979 ( -1.922 0.019 -4.125) 4.551 18.735 ( 0.010 0.161 8.843) 8.845 19.084 ( -0.355 0.406 9.863) 9.878 19.216 ( -1.911 4.065 15.375) 16.018 19.384 ( -0.603 -0.230 6.374) 6.406 19.437 ( 3.032 -1.855 24.864) 25.117 19.750 ( 0.093 -0.877 -0.442) 0.987 20.214 ( -2.459 -0.611 0.893) 2.687 20.591 ( 1.042 -0.230 4.190) 4.324 20.679 ( -3.466 -3.958 1.793) 5.558 21.071 ( 0.211 3.989 -1.102) 4.144 21.642 ( 2.759 -2.487 -6.797) 7.746 21.759 ( -5.148 -3.442 -6.982) 9.333 24.904 ( -0.389 -0.726 1.005) 1.300 25.110 ( 1.903 1.129 -2.505) 3.342 30.226 ( 1.431 4.639 0.917) 4.940 30.353 ( 1.901 4.233 -0.999) 4.747 37.086 ( 1.583 4.409 6.655) 8.138 38.183 ( 3.647 19.763 -7.490) 21.447 38.303 ( -0.390 4.931 1.297) 5.114 38.779 ( -0.684 -3.344 -4.238) 5.442 39.362 ( -3.873 -14.566 -0.352) 15.076 39.948 ( -1.376 -16.852 -12.897) 21.265 40.943 ( 3.546 10.047 -4.009) 11.383 41.429 ( 1.290 -3.907 -14.386) 14.963 ======================= Grid point 121 (46/80) ======================= q-point: (-0.29 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 0.784 7.758) 7.798 2.027 ( 0.000 1.611 16.257) 16.336 2.148 ( 0.000 18.275 1.540) 18.340 2.391 ( 0.000 4.350 -1.002) 4.464 2.411 ( -0.000 -4.720 20.081) 20.628 2.514 ( 0.000 3.322 12.845) 13.267 2.918 ( 0.000 1.817 0.216) 1.830 3.259 ( -0.000 -8.206 4.764) 9.489 3.401 ( 0.000 18.727 -1.832) 18.816 3.412 ( 0.000 8.173 -2.771) 8.630 3.588 ( -0.000 -2.232 2.683) 3.490 3.832 ( -0.000 -6.438 -10.139) 12.010 4.080 ( 0.000 27.337 -5.640) 27.913 4.243 ( 0.000 15.987 -0.765) 16.006 4.591 ( 0.000 4.360 3.890) 5.843 4.830 ( 0.000 4.418 15.538) 16.154 4.839 ( 0.000 4.900 6.529) 8.164 4.926 ( -0.000 -4.494 7.586) 8.817 5.110 ( 0.000 6.198 1.068) 6.289 5.265 ( -0.000 -0.043 4.690) 4.691 5.266 ( -0.000 -3.195 -0.882) 3.314 5.527 ( -0.000 -0.818 -2.315) 2.455 6.003 ( -0.000 -2.435 19.765) 19.915 6.237 ( 0.000 4.052 13.055) 13.669 6.575 ( 0.000 10.451 -2.995) 10.872 6.688 ( -0.000 -5.514 7.246) 9.106 7.845 ( -0.000 -9.400 1.423) 9.507 7.919 ( -0.000 -4.444 -6.720) 8.057 8.322 ( 0.000 3.629 -4.265) 5.600 8.422 ( -0.000 -6.356 -2.306) 6.762 8.919 ( 0.000 2.428 0.547) 2.488 8.994 ( -0.000 -0.594 -4.483) 4.522 9.004 ( -0.000 -6.101 4.173) 7.392 9.630 ( -0.000 -1.055 -3.959) 4.098 9.681 ( -0.000 -4.009 7.618) 8.608 11.023 ( -0.000 -7.192 -16.062) 17.599 12.428 ( -0.000 -5.003 0.988) 5.100 12.635 ( -0.000 -4.847 -2.640) 5.519 13.317 ( 0.000 3.021 0.939) 3.163 13.472 ( -0.000 -0.367 2.150) 2.181 13.625 ( 0.000 1.322 -6.232) 6.371 13.781 ( 0.000 0.713 -4.064) 4.126 14.143 ( 0.000 0.268 1.028) 1.063 14.284 ( -0.000 -1.702 3.708) 4.079 14.461 ( 0.000 0.014 2.199) 2.199 15.537 ( 0.000 9.531 -14.549) 17.393 16.702 ( -0.000 -3.473 0.897) 3.586 16.980 ( -0.000 -1.288 -3.603) 3.827 18.733 ( 0.000 0.103 8.385) 8.385 19.082 ( -0.000 -0.437 9.568) 9.578 19.150 ( 0.000 2.370 15.899) 16.075 19.385 ( 0.000 0.063 3.563) 3.563 19.538 ( -0.000 -7.854 25.043) 26.246 19.771 ( -0.000 -1.836 4.221) 4.603 20.193 ( 0.000 0.393 -0.281) 0.483 20.596 ( 0.000 0.556 4.398) 4.433 20.732 ( -0.000 -4.560 2.203) 5.064 21.002 ( 0.000 4.738 -1.226) 4.894 21.682 ( 0.000 0.135 -5.776) 5.777 21.805 ( -0.000 -6.052 -8.318) 10.286 24.926 ( -0.000 -2.202 0.611) 2.285 25.102 ( 0.000 1.401 -2.761) 3.096 30.147 ( 0.000 5.535 0.964) 5.619 30.280 ( 0.000 5.527 -1.076) 5.631 37.009 ( 0.000 5.417 5.800) 7.936 37.879 ( 0.000 18.759 -6.212) 19.761 38.251 ( 0.000 1.576 2.895) 3.296 38.838 ( -0.000 -3.718 -4.687) 5.982 39.591 ( -0.000 -15.714 0.368) 15.718 40.215 ( -0.000 -15.724 -11.284) 19.353 40.761 ( 0.000 14.183 -4.146) 14.777 41.437 ( 0.000 4.073 -20.990) 21.382 ======================= Grid point 126 (47/80) ======================= q-point: ( 0.43 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 6.336 0.000 11.800) 13.394 1.946 ( 5.654 0.000 7.835) 9.662 2.206 ( -4.622 -0.000 14.497) 15.216 2.409 ( -0.024 -0.000 -2.425) 2.425 2.539 ( -1.087 -0.000 27.449) 27.471 2.782 ( 13.156 0.000 2.519) 13.395 2.821 ( 8.119 0.000 -5.862) 10.014 3.214 ( -12.961 -0.000 -4.835) 13.833 3.281 ( -1.185 -0.000 12.132) 12.190 3.390 ( -1.181 -0.000 1.336) 1.783 3.526 ( 8.562 0.000 -1.880) 8.766 4.158 ( 1.246 0.000 2.018) 2.371 4.569 ( 5.410 0.000 0.170) 5.413 4.675 ( -1.687 -0.000 0.593) 1.788 4.801 ( 2.064 0.000 9.675) 9.893 4.834 ( 0.537 0.000 1.925) 1.999 4.854 ( 5.757 0.000 2.481) 6.269 5.045 ( 0.137 0.000 -8.810) 8.811 5.169 ( 4.019 0.000 10.055) 10.829 5.249 ( -2.885 -0.000 10.553) 10.940 5.255 ( 16.442 0.000 0.878) 16.466 5.850 ( 2.616 0.000 -7.634) 8.069 6.040 ( -1.796 -0.000 27.524) 27.582 6.062 ( 1.678 0.000 -5.916) 6.150 6.773 ( 1.498 0.000 18.891) 18.950 6.809 ( -0.908 -0.000 -7.249) 7.305 7.463 ( -6.964 -0.000 1.368) 7.097 7.784 ( -5.727 -0.000 -5.220) 7.749 8.424 ( 3.012 0.000 -12.144) 12.512 8.575 ( -2.028 -0.000 15.660) 15.790 8.606 ( -4.263 -0.000 -12.461) 13.170 9.073 ( -2.689 -0.000 1.719) 3.192 9.112 ( -1.989 -0.000 3.598) 4.111 9.429 ( -0.853 -0.000 7.433) 7.482 9.519 ( 4.925 0.000 -3.904) 6.284 10.670 ( 3.225 0.000 -7.685) 8.334 12.137 ( -3.124 -0.000 2.223) 3.834 12.546 ( -3.068 -0.000 -4.394) 5.359 13.403 ( 2.092 0.000 -0.060) 2.093 13.493 ( -3.449 -0.000 2.693) 4.376 13.559 ( 12.971 0.000 -2.718) 13.253 13.976 ( -15.370 -0.000 -6.400) 16.649 14.156 ( 0.966 0.000 1.436) 1.731 14.255 ( 0.623 0.000 -0.795) 1.009 14.316 ( 1.014 0.000 6.774) 6.850 15.783 ( 8.424 0.000 -22.059) 23.612 16.635 ( -3.138 -0.000 1.241) 3.375 16.988 ( -3.265 -0.000 -4.924) 5.908 18.739 ( 0.015 0.000 9.314) 9.314 19.096 ( -0.569 -0.000 9.927) 9.944 19.330 ( 0.060 0.000 -1.306) 1.308 19.353 ( -1.284 -0.000 26.660) 26.691 19.446 ( -0.759 -0.000 25.610) 25.621 19.730 ( 0.177 0.000 -2.707) 2.712 20.179 ( -0.821 -0.000 1.072) 1.350 20.584 ( 0.936 0.000 4.268) 4.369 20.615 ( -4.466 -0.000 0.560) 4.501 21.144 ( -1.112 -0.000 -1.078) 1.549 21.577 ( 3.731 0.000 -7.416) 8.302 21.701 ( -5.928 -0.000 -6.057) 8.475 24.898 ( -0.675 -0.000 1.315) 1.479 25.130 ( 1.205 0.000 -2.367) 2.656 30.314 ( 2.210 0.000 0.829) 2.360 30.429 ( 2.892 0.000 -0.877) 3.022 37.170 ( 3.586 0.000 7.900) 8.676 38.412 ( 1.323 0.000 -1.781) 2.218 38.700 ( -2.209 -0.000 -3.327) 3.993 38.836 ( -0.418 -0.000 -14.286) 14.292 38.913 ( -3.166 -0.000 3.011) 4.369 39.549 ( -0.755 -0.000 -14.834) 14.853 41.114 ( 4.434 0.000 -4.216) 6.119 41.312 ( 3.971 0.000 -6.928) 7.985 ======================= Grid point 127 (48/80) ======================= q-point: (-0.43 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 0.000 12.292 8.557) 14.977 1.965 ( -0.000 -2.298 7.748) 8.082 2.218 ( -0.000 -4.300 20.499) 20.946 2.402 ( -0.000 -0.176 -1.539) 1.549 2.579 ( -0.000 -4.275 24.793) 25.159 2.689 ( 0.000 14.490 -4.913) 15.300 2.915 ( -0.000 -0.985 4.133) 4.249 3.177 ( 0.000 6.435 5.938) 8.756 3.318 ( -0.000 -18.373 -7.700) 19.921 3.462 ( -0.000 -5.367 5.249) 7.507 3.569 ( 0.000 1.831 -3.190) 3.678 4.047 ( 0.000 13.088 1.686) 13.196 4.570 ( 0.000 4.927 4.255) 6.510 4.627 ( 0.000 2.587 -0.922) 2.746 4.822 ( 0.000 1.692 2.251) 2.816 4.846 ( -0.000 -2.480 9.270) 9.596 4.911 ( -0.000 -0.439 3.163) 3.193 4.949 ( 0.000 10.177 -7.776) 12.808 5.207 ( -0.000 -0.339 9.013) 9.019 5.215 ( 0.000 0.549 8.751) 8.768 5.333 ( 0.000 2.981 0.673) 3.056 5.727 ( 0.000 11.738 -6.509) 13.422 6.008 ( 0.000 2.007 26.787) 26.862 6.177 ( -0.000 -7.916 -5.922) 9.887 6.734 ( 0.000 5.245 20.012) 20.688 6.784 ( 0.000 2.476 -6.733) 7.174 7.493 ( -0.000 -8.530 2.103) 8.786 7.787 ( -0.000 -4.079 -5.581) 6.912 8.413 ( 0.000 7.442 0.535) 7.461 8.429 ( 0.000 2.093 -10.744) 10.946 8.742 ( -0.000 -9.935 2.014) 10.137 8.995 ( 0.000 3.267 1.278) 3.508 9.110 ( 0.000 2.905 0.095) 2.907 9.466 ( -0.000 -5.549 9.844) 11.301 9.571 ( -0.000 -2.114 -4.326) 4.815 10.747 ( -0.000 -6.626 -8.960) 11.144 12.178 ( -0.000 -6.860 2.016) 7.150 12.537 ( -0.000 -1.256 -3.867) 4.066 13.410 ( 0.000 1.895 1.056) 2.169 13.463 ( -0.000 -0.133 1.705) 1.710 13.671 ( 0.000 1.198 -3.284) 3.496 13.827 ( 0.000 1.185 -5.715) 5.836 14.162 ( 0.000 0.338 1.165) 1.213 14.241 ( 0.000 0.511 2.106) 2.167 14.371 ( -0.000 -4.202 4.303) 6.014 15.795 ( 0.000 4.817 -21.486) 22.020 16.625 ( -0.000 -1.149 1.274) 1.716 16.966 ( 0.000 0.107 -4.339) 4.340 18.738 ( 0.000 0.170 9.321) 9.322 19.089 ( 0.000 0.445 10.036) 10.045 19.276 ( 0.000 4.308 14.181) 14.821 19.367 ( -0.000 -1.216 9.074) 9.155 19.444 ( 0.000 0.106 26.188) 26.188 19.737 ( -0.000 -0.667 -1.966) 2.076 20.187 ( -0.000 -1.180 0.984) 1.536 20.593 ( -0.000 -0.371 4.226) 4.242 20.601 ( -0.000 -2.047 0.782) 2.192 21.121 ( 0.000 2.058 -1.323) 2.447 21.650 ( -0.000 -2.555 -7.533) 7.954 21.650 ( -0.000 -1.528 -6.260) 6.444 24.894 ( -0.000 -0.087 1.330) 1.332 25.134 ( 0.000 0.470 -2.529) 2.572 30.302 ( 0.000 3.030 0.899) 3.161 30.425 ( 0.000 2.582 -0.935) 2.746 37.166 ( 0.000 3.166 7.793) 8.412 38.378 ( 0.000 4.468 -0.681) 4.520 38.547 ( 0.000 20.513 -7.686) 21.906 38.716 ( -0.000 -3.119 -3.715) 4.851 39.109 ( -0.000 -13.562 -1.264) 13.621 39.672 ( -0.000 -13.923 -14.870) 20.371 41.096 ( 0.000 5.498 -4.131) 6.877 41.372 ( -0.000 -3.875 -8.862) 9.672 ======================= Grid point 153 (49/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.000 0.000 19.853) 19.853 1.182 ( 0.000 0.000 21.338) 21.338 2.018 ( 0.000 0.000 -9.566) 9.566 2.206 ( 0.000 0.000 6.435) 6.435 2.428 ( 0.000 0.000 -0.457) 0.457 2.692 ( 0.000 0.000 2.422) 2.422 3.028 ( 0.000 0.000 2.276) 2.276 3.037 ( 0.000 0.000 3.623) 3.623 3.152 ( 0.000 0.000 -6.857) 6.857 3.218 ( 0.000 0.000 23.712) 23.712 3.358 ( 0.000 0.000 -5.177) 5.177 3.759 ( 0.000 0.000 3.010) 3.010 3.831 ( 0.000 0.000 1.134) 1.134 4.122 ( 0.000 0.000 6.363) 6.363 4.241 ( 0.000 0.000 -8.107) 8.107 4.397 ( 0.000 0.000 6.619) 6.619 4.562 ( 0.000 0.000 -9.004) 9.004 4.587 ( 0.000 0.000 8.307) 8.307 5.260 ( 0.000 0.000 -3.305) 3.305 5.346 ( 0.000 0.000 3.441) 3.441 5.595 ( 0.000 0.000 -5.632) 5.632 5.687 ( 0.000 0.000 21.619) 21.619 5.689 ( 0.000 0.000 -9.772) 9.772 6.726 ( 0.000 0.000 -12.071) 12.071 6.732 ( 0.000 0.000 24.688) 24.688 7.099 ( 0.000 0.000 27.653) 27.653 7.913 ( 0.000 0.000 -12.677) 12.677 8.190 ( 0.000 0.000 0.968) 0.968 8.490 ( 0.000 0.000 -7.019) 7.019 8.576 ( 0.000 0.000 -18.863) 18.863 9.122 ( 0.000 0.000 2.421) 2.421 9.176 ( 0.000 0.000 0.686) 0.686 9.341 ( 0.000 0.000 8.007) 8.007 9.523 ( 0.000 0.000 1.247) 1.247 9.671 ( 0.000 0.000 -2.440) 2.440 9.679 ( 0.000 0.000 -3.984) 3.984 12.604 ( 0.000 0.000 1.312) 1.312 12.731 ( 0.000 0.000 -2.468) 2.468 13.308 ( 0.000 0.000 3.789) 3.789 13.533 ( 0.000 0.000 -3.271) 3.271 13.546 ( 0.000 0.000 3.588) 3.588 13.774 ( 0.000 0.000 -4.140) 4.140 14.019 ( 0.000 0.000 0.196) 0.196 14.120 ( 0.000 0.000 -2.748) 2.748 14.462 ( 0.000 0.000 9.083) 9.083 15.027 ( 0.000 0.000 -9.087) 9.087 16.896 ( 0.000 0.000 1.346) 1.346 17.039 ( 0.000 0.000 -3.298) 3.298 18.881 ( 0.000 0.000 8.879) 8.879 19.275 ( 0.000 0.000 -3.630) 3.630 19.307 ( 0.000 0.000 8.385) 8.385 19.582 ( 0.000 0.000 20.826) 20.826 19.653 ( 0.000 0.000 -3.671) 3.671 20.189 ( 0.000 0.000 -1.789) 1.789 20.586 ( 0.000 0.000 4.563) 4.563 20.752 ( 0.000 0.000 -1.522) 1.522 20.905 ( 0.000 0.000 3.433) 3.433 21.426 ( 0.000 0.000 -9.844) 9.844 21.757 ( 0.000 0.000 1.853) 1.853 21.930 ( 0.000 0.000 -3.399) 3.399 25.033 ( 0.000 0.000 0.132) 0.132 25.062 ( 0.000 0.000 -0.786) 0.786 29.946 ( 0.000 0.000 1.120) 1.120 30.018 ( 0.000 0.000 -1.159) 1.159 36.883 ( 0.000 0.000 4.147) 4.147 37.128 ( 0.000 0.000 -3.366) 3.366 38.464 ( 0.000 0.000 4.052) 4.052 38.789 ( 0.000 0.000 -6.043) 6.043 39.491 ( 0.000 0.000 6.782) 6.782 39.960 ( 0.000 0.000 -7.863) 7.863 40.270 ( 0.000 0.000 2.639) 2.639 40.609 ( 0.000 0.000 -7.866) 7.866 ======================= Grid point 154 (50/80) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 2.700 -10.942 16.487) 19.971 1.513 ( 15.224 -21.551 12.718) 29.290 2.008 ( -1.140 2.284 -6.716) 7.185 2.290 ( 5.039 -4.266 -4.623) 8.060 2.398 ( -1.701 -0.168 10.186) 10.329 2.677 ( -2.441 -0.399 1.270) 2.780 2.941 ( 0.468 4.768 4.938) 6.880 3.081 ( 5.870 4.055 14.844) 16.469 3.145 ( 15.478 4.458 -0.463) 16.114 3.348 ( 2.540 -3.738 3.103) 5.482 3.395 ( 2.576 -1.410 -4.420) 5.306 3.693 ( -0.624 1.983 1.221) 2.411 3.829 ( 2.013 2.789 1.517) 3.759 4.207 ( 0.614 -6.663 2.547) 7.159 4.275 ( 7.841 -2.777 -1.648) 8.480 4.463 ( 2.070 -6.332 7.106) 9.741 4.642 ( 1.400 -6.762 -7.334) 10.073 4.702 ( 6.026 -7.003 6.658) 11.388 5.269 ( 0.437 -1.030 -1.321) 1.732 5.337 ( -2.533 -1.190 2.791) 3.953 5.561 ( -2.500 2.301 -5.279) 6.278 5.657 ( -0.519 3.418 21.561) 21.837 5.775 ( 2.818 -7.724 -9.647) 12.676 6.651 ( -3.286 6.852 3.278) 8.276 6.726 ( 0.620 1.049 12.949) 13.007 7.056 ( 1.757 4.787 25.291) 25.800 7.897 ( 0.069 1.832 -12.931) 13.060 8.156 ( -2.608 1.824 1.239) 3.416 8.378 ( -9.284 9.463 -9.006) 16.026 8.511 ( 0.742 2.769 -12.047) 12.383 8.966 ( -0.487 5.749 3.368) 6.681 9.107 ( -2.528 5.561 -0.319) 6.117 9.355 ( 3.496 2.390 8.018) 9.068 9.537 ( -6.896 -3.642 1.541) 7.949 9.706 ( 1.930 -6.222 -0.870) 6.572 10.049 ( 3.087 -24.755 -12.035) 27.698 12.570 ( -3.125 1.024 1.414) 3.580 12.717 ( -1.281 1.169 -3.260) 3.693 13.286 ( -1.927 0.645 3.105) 3.711 13.481 ( -3.571 1.635 -2.323) 4.564 13.566 ( 2.389 1.139 2.492) 3.635 13.821 ( 8.400 1.374 -5.825) 10.314 14.054 ( 1.923 -3.368 0.968) 3.997 14.190 ( 0.561 -5.995 -3.150) 6.795 14.462 ( -0.137 -0.566 8.986) 9.004 15.029 ( -0.893 -1.170 -9.364) 9.479 16.877 ( -0.776 1.459 1.304) 2.105 17.024 ( -0.066 1.701 -3.518) 3.908 18.885 ( 0.288 -0.166 8.851) 8.857 19.271 ( 0.094 0.516 -2.972) 3.018 19.300 ( -0.043 0.611 8.356) 8.379 19.592 ( 1.386 0.265 18.934) 18.987 19.657 ( 0.637 -0.329 -2.381) 2.487 20.186 ( 0.294 0.843 -1.649) 1.876 20.599 ( 0.486 -1.083 4.743) 4.889 20.768 ( -1.486 -1.735 -1.118) 2.543 20.822 ( -11.390 1.630 6.686) 13.308 21.398 ( -5.164 7.915 -3.760) 10.171 21.504 ( 1.041 13.334 3.938) 13.942 21.916 ( -2.385 2.108 -6.155) 6.929 25.014 ( -1.154 0.969 0.031) 1.507 25.050 ( -0.862 1.156 -0.936) 1.719 29.988 ( 4.048 -1.461 0.963) 4.410 30.057 ( 3.332 -1.897 -1.174) 4.010 36.923 ( 3.674 -2.080 4.786) 6.382 37.262 ( 14.352 -2.389 -6.703) 16.019 38.435 ( 0.097 3.188 4.354) 5.397 38.796 ( -1.072 -0.822 -6.879) 7.011 39.667 ( -7.735 -21.847 0.090) 23.176 39.961 ( -11.716 -10.234 -5.710) 16.571 40.333 ( 13.178 2.817 0.012) 13.476 40.622 ( 8.108 2.927 -8.352) 12.003 ======================= Grid point 155 (51/80) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 3.645 -17.740 8.725) 20.103 1.916 ( -1.555 3.593 -2.360) 4.571 1.973 ( 8.262 -12.618 6.799) 16.544 2.278 ( -2.082 4.373 -3.152) 5.778 2.472 ( 4.252 -2.154 5.007) 6.913 2.628 ( -1.521 6.253 0.273) 6.441 3.032 ( 6.611 -5.877 14.412) 16.910 3.085 ( 2.446 -1.827 13.168) 13.518 3.291 ( 7.364 -1.204 -0.080) 7.462 3.354 ( 3.060 2.661 -1.463) 4.311 3.450 ( 4.956 -1.557 -4.154) 6.652 3.630 ( -0.613 2.215 -3.902) 4.529 3.930 ( 10.975 -0.658 4.112) 11.739 4.301 ( 12.356 5.296 -5.175) 14.405 4.529 ( 4.737 -15.785 3.261) 16.800 4.599 ( 1.963 -6.093 7.601) 9.937 4.792 ( 1.177 -10.232 -1.343) 10.387 4.898 ( 5.175 -6.887 6.623) 10.866 5.299 ( -1.859 -2.480 2.085) 3.735 5.334 ( -0.603 -1.126 3.126) 3.377 5.479 ( -2.579 3.015 -4.130) 5.727 5.558 ( -0.921 7.308 20.807) 22.072 5.974 ( 3.880 -10.544 -9.469) 14.693 6.475 ( -2.819 7.956 6.476) 10.638 6.708 ( 1.134 2.401 13.345) 13.607 7.005 ( 0.449 3.748 21.214) 21.547 7.864 ( 1.515 3.037 -13.815) 14.226 8.085 ( -4.894 3.056 -1.574) 5.981 8.114 ( -7.496 4.987 -3.814) 9.778 8.496 ( -0.763 -0.969 -9.625) 9.704 8.927 ( 1.026 1.173 0.597) 1.669 8.998 ( 0.266 5.735 -0.240) 5.746 9.346 ( 2.846 3.613 6.896) 8.289 9.467 ( -8.362 0.093 2.003) 8.599 9.813 ( -1.327 -5.041 2.538) 5.798 10.394 ( -0.986 -15.152 -15.167) 21.461 12.522 ( -2.809 -0.046 0.765) 2.911 12.659 ( -3.206 2.120 -3.460) 5.171 13.263 ( -1.208 -0.653 1.929) 2.368 13.409 ( -3.288 1.781 -2.501) 4.498 13.569 ( 1.529 1.236 3.646) 4.143 13.900 ( 8.076 1.826 -7.775) 11.358 14.141 ( 2.000 -2.626 0.813) 3.400 14.271 ( -0.716 -3.180 -2.498) 4.107 14.506 ( 2.364 -3.444 6.937) 8.098 15.051 ( -0.710 -2.671 -9.989) 10.364 16.843 ( -0.343 1.493 0.945) 1.800 16.988 ( -0.319 2.260 -3.813) 4.444 18.891 ( 0.286 -0.130 8.814) 8.820 19.261 ( 0.050 0.719 -0.281) 0.774 19.291 ( 0.237 0.565 6.558) 6.587 19.592 ( 0.357 0.957 8.915) 8.973 19.691 ( 3.148 -0.892 6.964) 7.694 20.133 ( -4.890 4.426 2.781) 7.158 20.532 ( -12.255 5.718 15.394) 20.490 20.636 ( -0.591 -1.497 4.986) 5.240 20.823 ( -0.234 -3.205 -0.730) 3.296 21.121 ( 0.483 12.934 6.214) 14.357 21.488 ( 0.536 -1.203 -7.710) 7.822 21.833 ( -1.702 3.777 -8.517) 9.471 24.978 ( -1.807 1.278 0.069) 2.214 25.014 ( -0.979 1.224 -1.144) 1.940 30.068 ( 4.236 -1.545 1.041) 4.628 30.140 ( 3.883 -2.146 -1.222) 4.601 37.021 ( 4.740 -2.679 5.915) 8.040 37.467 ( 12.684 -1.355 -8.334) 15.238 38.378 ( -0.232 3.278 4.832) 5.843 38.775 ( -2.029 0.905 -7.105) 7.444 39.802 ( -12.203 -10.077 0.317) 15.829 40.042 ( -10.572 -12.573 -8.264) 18.388 40.459 ( 11.383 1.131 -2.063) 11.624 40.772 ( 13.424 -4.643 -14.462) 20.271 ======================= Grid point 156 (52/80) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -1.254 -4.828 2.543) 5.599 1.890 ( 3.656 -7.148 0.931) 8.083 2.150 ( -2.346 7.024 -0.473) 7.420 2.204 ( 4.370 -6.903 1.583) 8.322 2.451 ( -3.977 7.830 6.983) 11.220 2.602 ( 5.441 -3.947 5.624) 8.764 2.965 ( -2.141 5.831 14.379) 15.664 3.180 ( 0.785 0.192 1.792) 1.966 3.321 ( -0.799 -0.142 1.176) 1.429 3.484 ( 3.502 -5.533 -1.270) 6.670 3.517 ( -0.568 -1.406 -3.995) 4.273 3.731 ( 8.742 -5.972 -6.900) 12.637 4.019 ( 4.015 0.135 4.944) 6.370 4.265 ( 1.567 7.972 -3.770) 8.956 4.677 ( 2.186 -1.650 9.832) 10.206 4.861 ( 5.163 -10.909 0.235) 12.071 4.973 ( 1.116 -7.800 2.340) 8.219 5.014 ( 1.957 -1.700 6.133) 6.658 5.294 ( -2.037 -0.189 5.657) 6.016 5.332 ( 0.204 2.071 12.425) 12.598 5.422 ( -1.117 1.000 -2.258) 2.710 5.434 ( -0.522 4.498 11.419) 12.284 6.179 ( 2.711 -8.384 -5.880) 10.594 6.342 ( -1.651 5.564 -1.044) 5.897 6.683 ( 0.787 1.641 15.634) 15.740 6.945 ( -0.781 2.260 20.985) 21.120 7.840 ( 1.865 2.223 -14.288) 14.580 7.938 ( -4.868 1.730 -9.291) 10.630 8.080 ( -0.913 -1.092 4.459) 4.681 8.520 ( -0.382 -1.943 -8.171) 8.407 8.922 ( 0.953 1.195 -0.280) 1.554 8.929 ( 0.952 3.129 -0.531) 3.313 9.299 ( 0.104 3.546 4.441) 5.684 9.382 ( -4.336 -0.709 3.617) 5.691 9.842 ( -1.830 -1.666 5.306) 5.854 10.542 ( -0.381 -4.539 -14.726) 15.415 12.505 ( -0.877 -0.390 -0.108) 0.966 12.596 ( -1.821 1.047 -2.929) 3.604 13.280 ( 0.325 -1.741 0.565) 1.860 13.347 ( -1.888 1.756 -1.373) 2.922 13.566 ( 0.541 0.534 4.212) 4.280 13.948 ( 3.092 0.776 -8.370) 8.957 14.174 ( 0.304 -0.284 1.395) 1.456 14.289 ( -0.615 -0.723 -1.520) 1.792 14.591 ( 1.799 -2.145 3.997) 4.880 15.085 ( -0.173 -1.529 -10.320) 10.434 16.826 ( 0.157 0.502 0.303) 0.607 16.953 ( -0.341 1.135 -3.718) 3.902 18.895 ( 0.106 -0.034 8.814) 8.815 19.251 ( -0.033 0.387 2.689) 2.717 19.289 ( 0.274 0.110 3.754) 3.766 19.579 ( -0.031 0.504 2.281) 2.336 19.759 ( 4.944 -1.421 15.739) 16.558 19.934 ( -8.783 5.196 13.347) 16.801 20.419 ( -1.014 0.524 9.122) 9.193 20.655 ( 0.002 -0.624 4.667) 4.708 20.873 ( -0.813 -3.528 -0.916) 3.734 20.973 ( 0.362 6.168 3.733) 7.219 21.510 ( 0.122 -0.682 -8.225) 8.254 21.775 ( -0.363 1.518 -9.451) 9.579 24.941 ( -0.831 0.746 0.423) 1.194 24.993 ( -0.469 0.329 -1.453) 1.562 30.125 ( 1.733 -0.672 1.145) 2.183 30.202 ( 1.640 -0.882 -1.262) 2.250 37.099 ( 2.117 -1.149 6.747) 7.164 37.596 ( 4.859 -0.745 -8.365) 9.703 38.334 ( -0.257 1.364 5.194) 5.377 38.735 ( -1.231 0.854 -6.659) 6.825 39.798 ( -4.545 -2.921 2.222) 5.842 40.067 ( -4.330 -2.994 -7.166) 8.892 40.550 ( 4.470 0.130 -2.274) 5.017 40.982 ( 5.123 -3.956 -20.342) 21.346 ======================= Grid point 161 (53/80) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 15.720 0.000 15.747) 22.251 1.474 ( 22.562 0.000 10.934) 25.071 2.060 ( 4.160 0.000 -7.249) 8.358 2.303 ( 6.681 0.000 3.227) 7.419 2.385 ( -2.268 -0.000 2.308) 3.236 2.660 ( -0.077 -0.000 1.467) 1.469 3.014 ( 4.016 0.000 4.225) 5.829 3.140 ( -1.760 -0.000 24.953) 25.015 3.366 ( 2.882 0.000 -4.008) 4.936 3.381 ( 15.532 0.000 2.532) 15.737 3.572 ( 8.039 0.000 -4.832) 9.379 3.691 ( 13.629 0.000 -2.313) 13.824 3.897 ( 6.709 0.000 6.122) 9.083 4.136 ( 3.905 0.000 6.452) 7.541 4.340 ( 5.232 0.000 -3.582) 6.341 4.464 ( 6.534 0.000 6.024) 8.888 4.640 ( 5.608 0.000 -8.616) 10.281 4.761 ( 10.723 0.000 3.932) 11.421 5.257 ( -1.751 -0.000 -1.369) 2.222 5.258 ( -6.585 -0.000 2.739) 7.132 5.568 ( -0.685 -0.000 -5.530) 5.572 5.678 ( -0.595 -0.000 20.974) 20.982 5.744 ( 3.944 0.000 -9.071) 9.891 6.689 ( -2.553 -0.000 26.399) 26.523 6.706 ( -1.463 -0.000 -11.915) 12.005 7.132 ( 1.755 0.000 26.164) 26.223 7.895 ( -2.639 -0.000 -9.460) 9.822 8.125 ( -4.436 -0.000 -3.815) 5.851 8.303 ( -13.618 -0.000 -4.872) 14.463 8.540 ( -2.895 -0.000 -18.392) 18.618 9.028 ( -3.598 -0.000 4.792) 5.992 9.133 ( -0.296 -0.000 0.187) 0.350 9.391 ( -6.121 -0.000 7.690) 9.828 9.463 ( -7.069 -0.000 -0.492) 7.086 9.504 ( 5.401 0.000 4.180) 6.830 10.023 ( 15.130 0.000 -6.784) 16.581 12.510 ( -6.978 -0.000 1.963) 7.249 12.703 ( -3.279 -0.000 -4.735) 5.760 13.265 ( -1.767 -0.000 2.636) 3.174 13.444 ( -4.392 -0.000 -2.017) 4.833 13.617 ( 2.873 0.000 2.803) 4.014 13.964 ( 10.932 0.000 -8.960) 14.135 14.053 ( 2.502 0.000 0.754) 2.613 14.151 ( 2.698 0.000 -2.929) 3.982 14.450 ( -0.721 -0.000 9.009) 9.038 15.015 ( 0.324 0.000 -9.395) 9.401 16.867 ( -2.500 -0.000 1.455) 2.892 17.033 ( -0.921 -0.000 -4.171) 4.271 18.889 ( 0.606 0.000 8.881) 8.902 19.277 ( 0.184 0.000 -3.530) 3.535 19.304 ( -0.223 -0.000 8.636) 8.639 19.633 ( 4.076 0.000 21.320) 21.706 19.655 ( 0.135 0.000 -3.704) 3.706 20.204 ( 0.929 0.000 -1.157) 1.484 20.599 ( 1.028 0.000 4.463) 4.579 20.627 ( -19.272 -0.000 10.323) 21.863 20.770 ( 0.237 0.000 0.008) 0.237 21.384 ( -2.830 -0.000 -11.117) 11.471 21.570 ( -11.866 -0.000 5.815) 13.214 21.879 ( -4.140 -0.000 -4.455) 6.082 25.003 ( -2.137 -0.000 0.431) 2.180 25.051 ( -0.555 -0.000 -1.121) 1.251 30.050 ( 7.127 0.000 0.463) 7.142 30.105 ( 6.469 0.000 -1.050) 6.554 36.970 ( 6.811 0.000 5.945) 9.041 37.532 ( 26.438 0.000 -16.710) 31.276 38.471 ( 0.559 0.000 2.900) 2.954 38.764 ( -2.010 -0.000 -5.773) 6.113 39.365 ( -8.834 -0.000 5.951) 10.652 39.729 ( -12.145 -0.000 -5.153) 13.193 40.527 ( 14.217 0.000 -0.683) 14.233 40.750 ( 9.894 0.000 -7.122) 12.190 ======================= Grid point 162 (54/80) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 17.658 1.567 9.073) 19.915 1.876 ( 12.067 -10.406 7.400) 17.568 2.042 ( 6.007 7.609 -3.092) 10.175 2.316 ( -1.596 2.825 -4.786) 5.782 2.499 ( 7.380 -5.965 8.424) 12.689 2.700 ( 4.348 -2.973 0.841) 5.334 3.048 ( 3.931 -0.301 7.223) 8.229 3.116 ( 2.065 2.469 18.705) 18.980 3.364 ( 0.031 3.731 -0.225) 3.738 3.461 ( 2.602 4.172 1.777) 5.228 3.530 ( 0.896 1.701 -1.423) 2.392 3.876 ( 25.082 13.167 -3.198) 28.508 4.020 ( 7.181 -0.560 8.993) 11.522 4.371 ( 14.750 -13.377 1.544) 19.972 4.488 ( 7.504 -4.041 -2.545) 8.895 4.580 ( 8.469 -2.742 5.895) 10.677 4.712 ( 4.280 -1.540 -6.797) 8.179 4.904 ( 7.875 -2.781 3.286) 8.975 5.198 ( -5.689 -3.493 2.051) 6.984 5.255 ( -4.244 -3.678 1.072) 5.717 5.532 ( 1.241 4.052 -2.819) 5.090 5.640 ( -0.660 3.678 19.376) 19.733 5.874 ( 4.719 -7.940 -9.286) 13.097 6.572 ( -2.560 7.593 12.531) 14.874 6.719 ( -0.937 -1.118 4.434) 4.668 7.099 ( 1.106 5.221 24.189) 24.771 7.858 ( -5.133 -2.336 -5.719) 8.032 8.062 ( -4.528 2.330 -7.182) 8.805 8.086 ( -10.914 4.347 -5.714) 13.064 8.468 ( -3.616 1.911 -14.623) 15.184 8.966 ( -0.004 1.289 5.313) 5.467 9.105 ( 2.423 4.843 0.460) 5.435 9.334 ( -4.859 -1.989 4.568) 6.959 9.410 ( -6.139 0.422 0.111) 6.154 9.634 ( -1.319 -8.686 6.718) 11.060 10.265 ( 11.084 -7.884 -10.134) 16.962 12.438 ( -6.812 -2.362 1.902) 7.457 12.637 ( -5.143 1.162 -4.820) 7.143 13.256 ( 0.982 0.206 1.284) 1.630 13.391 ( -3.141 0.527 -2.422) 4.002 13.620 ( 1.293 2.319 4.231) 4.995 14.021 ( 4.279 3.139 -7.409) 9.114 14.129 ( 2.985 -2.836 -1.227) 4.297 14.216 ( 1.093 -2.665 -2.777) 4.001 14.471 ( 0.946 -3.163 7.629) 8.313 15.048 ( 4.545 -0.515 -11.071) 11.979 16.829 ( -3.346 -0.118 1.330) 3.603 17.003 ( -2.042 1.235 -4.598) 5.180 18.897 ( 0.617 0.080 8.880) 8.902 19.275 ( 0.194 0.603 -1.783) 1.892 19.298 ( -0.199 0.276 7.427) 7.434 19.631 ( 1.097 2.192 2.992) 3.868 19.714 ( 4.673 -1.676 14.771) 15.582 20.157 ( -5.598 6.069 4.573) 9.439 20.395 ( -13.941 -1.675 13.516) 19.490 20.621 ( 1.108 -0.872 4.300) 4.525 20.785 ( -0.111 -1.316 0.299) 1.354 21.264 ( -5.489 8.698 -1.848) 10.449 21.451 ( -4.465 -2.209 -3.608) 6.151 21.816 ( -5.667 0.387 -6.575) 8.689 24.970 ( -2.004 0.651 0.653) 2.206 25.034 ( 0.101 1.500 -1.393) 2.049 30.133 ( 6.662 0.731 0.690) 6.737 30.192 ( 6.799 0.022 -1.073) 6.883 37.071 ( 7.858 -0.528 7.448) 10.840 37.757 ( 21.126 8.754 -16.823) 28.390 38.436 ( -0.141 4.007 2.834) 4.910 38.746 ( -2.841 -0.708 -6.281) 6.930 39.415 ( -10.829 -15.989 1.144) 19.345 39.685 ( -10.061 -11.721 -6.285) 16.677 40.668 ( 13.116 3.444 -1.469) 13.640 40.888 ( 11.430 -1.214 -8.810) 14.482 ======================= Grid point 163 (55/80) ======================= q-point: ( 0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 6.463 -1.350 4.332) 7.896 1.961 ( 8.962 4.547 -2.267) 10.302 2.152 ( 5.422 -5.386 6.704) 10.166 2.256 ( 2.141 3.699 -1.433) 4.508 2.594 ( 3.710 2.010 7.587) 8.682 2.766 ( 10.713 7.183 3.240) 13.299 3.050 ( -1.392 5.652 18.109) 19.022 3.202 ( 4.357 -5.743 -0.013) 7.209 3.282 ( -1.330 2.508 0.112) 2.841 3.427 ( -1.290 -1.923 -2.870) 3.687 3.555 ( 5.661 1.494 1.577) 6.063 3.889 ( 9.544 9.080 -2.372) 13.385 4.091 ( 8.132 4.059 4.787) 10.272 4.451 ( 0.195 12.339 -5.452) 13.491 4.643 ( 0.681 -4.178 6.945) 8.134 4.814 ( 12.244 -9.047 -1.310) 15.280 4.866 ( 5.989 -7.302 3.709) 10.146 5.024 ( 3.932 -2.744 4.474) 6.558 5.206 ( -5.001 -3.881 2.424) 6.779 5.304 ( 0.528 -4.671 2.232) 5.204 5.469 ( 0.615 5.247 6.387) 8.289 5.546 ( -0.035 6.631 13.287) 14.850 6.074 ( 3.841 -9.016 -9.451) 13.615 6.422 ( -1.567 6.966 8.642) 11.210 6.707 ( -1.292 1.160 8.236) 8.417 7.016 ( 0.911 5.499 22.491) 23.172 7.820 ( -6.548 0.736 -9.314) 11.409 7.941 ( -4.836 -4.437 -1.108) 6.655 8.023 ( 1.141 2.257 -8.252) 8.631 8.428 ( -4.365 -3.222 -10.250) 11.597 8.972 ( 1.685 1.184 2.906) 3.562 9.024 ( -0.307 6.038 0.819) 6.101 9.241 ( -9.937 1.239 2.471) 10.314 9.381 ( 2.060 -1.010 0.748) 2.413 9.745 ( -0.431 -6.644 8.385) 10.707 10.494 ( 6.420 -6.135 -13.102) 15.827 12.433 ( -3.963 -4.667 0.981) 6.201 12.571 ( -3.415 -0.189 -3.619) 4.979 13.288 ( 4.074 -0.325 0.041) 4.087 13.354 ( -0.845 1.055 -1.675) 2.153 13.586 ( -0.666 1.907 4.622) 5.044 13.986 ( -2.068 2.824 -8.121) 8.844 14.171 ( 0.164 -0.478 0.664) 0.834 14.259 ( 0.149 -2.223 -1.136) 2.501 14.550 ( 0.364 -4.009 5.531) 6.841 15.125 ( 7.077 0.750 -12.782) 14.630 16.796 ( -3.593 -1.091 0.855) 3.851 16.954 ( -2.355 0.988 -4.298) 5.000 18.900 ( 0.403 0.252 8.882) 8.894 19.263 ( 0.091 0.898 2.187) 2.366 19.292 ( -0.242 0.192 3.999) 4.011 19.607 ( 0.871 1.952 0.488) 2.192 19.803 ( 5.478 -0.853 19.037) 19.828 19.917 ( -9.126 6.007 14.552) 18.197 20.359 ( -3.910 -3.232 6.989) 8.636 20.647 ( 0.794 -0.771 4.138) 4.284 20.807 ( -1.351 -2.623 1.752) 3.432 21.083 ( -1.808 7.009 0.865) 7.290 21.465 ( -2.107 -3.257 -8.584) 9.420 21.746 ( -5.364 -0.444 -8.660) 10.196 24.940 ( -1.047 0.529 0.838) 1.442 25.016 ( 1.346 1.518 -1.715) 2.656 30.177 ( 4.083 2.155 1.073) 4.740 30.250 ( 4.458 1.690 -1.209) 4.919 37.148 ( 5.215 1.606 8.142) 9.802 37.792 ( 11.912 10.819 -11.923) 20.027 38.366 ( -0.718 3.191 3.966) 5.141 38.718 ( -2.284 -0.296 -6.286) 6.695 39.534 ( -9.321 -14.141 1.083) 16.971 39.827 ( -6.839 -15.668 -9.154) 19.392 40.721 ( 9.292 7.049 -1.741) 11.793 41.038 ( 8.106 -0.832 -14.031) 16.226 ======================= Grid point 164 (56/80) ======================= q-point: (-0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -3.133 -1.573 6.034) 6.978 2.047 ( 7.159 4.562 -2.797) 8.938 2.166 ( 1.961 1.406 2.803) 3.699 2.315 ( 3.139 1.961 -2.302) 4.359 2.534 ( 11.108 9.511 11.114) 18.368 2.780 ( 5.640 9.975 12.326) 16.830 2.928 ( -0.300 1.211 10.746) 10.818 3.239 ( 4.843 3.970 -1.780) 6.510 3.306 ( 0.062 -3.472 1.735) 3.882 3.452 ( -2.875 -1.802 -6.356) 7.206 3.567 ( 1.241 3.974 -0.057) 4.164 3.856 ( 0.052 3.629 -5.299) 6.423 3.989 ( -5.738 13.199 0.419) 14.398 4.217 ( -3.997 8.549 -4.477) 10.445 4.673 ( 0.470 -0.718 10.024) 10.060 4.973 ( 0.904 3.940 1.236) 4.227 5.012 ( 2.363 -3.272 3.191) 5.146 5.072 ( 2.333 3.030 1.601) 4.146 5.195 ( -3.758 -4.998 11.948) 13.486 5.364 ( 0.737 -0.328 6.485) 6.535 5.386 ( -0.689 3.202 11.753) 12.201 5.474 ( 2.288 2.402 2.323) 4.050 6.238 ( 2.001 -4.624 -4.130) 6.515 6.302 ( -1.539 4.414 -2.788) 5.443 6.657 ( -2.414 1.210 14.093) 14.349 6.968 ( 2.285 2.498 22.320) 22.575 7.755 ( -3.998 -1.716 -12.422) 13.162 8.002 ( -1.524 -5.357 1.040) 5.666 8.036 ( 4.594 0.215 -7.164) 8.514 8.451 ( -5.038 -5.429 -7.559) 10.583 8.931 ( -0.194 2.446 -0.565) 2.518 8.935 ( -0.343 3.962 -0.474) 4.005 9.182 ( -4.892 -5.227 6.067) 9.384 9.449 ( 5.482 -1.060 -0.822) 5.644 9.838 ( 1.180 -3.420 7.831) 8.626 10.618 ( 5.007 -0.851 -15.513) 16.324 12.473 ( -1.484 -3.683 0.556) 4.010 12.576 ( 0.092 -2.870 -2.839) 4.038 13.326 ( 1.001 2.463 0.117) 2.661 13.361 ( 5.534 -0.811 -1.259) 5.733 13.553 ( -1.558 0.302 3.747) 4.070 13.889 ( -7.547 1.385 -7.657) 10.839 14.173 ( -0.203 -0.009 1.627) 1.640 14.292 ( 0.617 -1.220 -1.318) 1.899 14.582 ( -1.548 -0.384 5.876) 6.089 15.168 ( 5.290 3.568 -12.956) 14.442 16.779 ( -3.280 -2.076 0.873) 3.979 16.929 ( -1.397 -0.868 -3.886) 4.219 18.899 ( 0.163 0.334 8.855) 8.863 19.253 ( 0.203 0.421 3.058) 3.093 19.283 ( -0.711 0.156 3.831) 3.900 19.593 ( 1.172 1.146 1.961) 2.556 19.729 ( -5.094 2.514 15.265) 16.288 19.963 ( 8.852 -4.362 15.218) 18.137 20.358 ( -4.520 -3.519 9.103) 10.756 20.665 ( 0.842 -0.061 4.450) 4.530 20.847 ( -1.352 -4.245 3.321) 5.557 20.981 ( 0.186 4.836 1.153) 4.975 21.494 ( -0.267 -1.882 -10.043) 10.221 21.708 ( -4.777 -2.777 -10.228) 11.625 24.936 ( 0.277 -0.702 0.793) 1.095 25.017 ( 1.980 1.056 -2.043) 3.034 30.159 ( 0.904 3.674 1.229) 3.979 30.240 ( 1.263 3.641 -1.325) 4.075 37.136 ( 0.895 4.254 7.793) 8.924 37.696 ( 2.878 11.685 -9.213) 15.156 38.328 ( -0.158 0.625 5.035) 5.076 38.721 ( 0.115 -1.809 -6.552) 6.798 39.675 ( -4.545 -13.494 2.141) 14.399 40.007 ( -1.083 -12.495 -9.057) 15.470 40.653 ( 3.474 10.885 -1.900) 11.583 41.059 ( 1.368 6.444 -18.207) 19.362 ======================= Grid point 165 (57/80) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -2.697 -8.390 5.560) 10.420 1.884 ( 2.280 17.829 4.879) 18.624 2.156 ( -0.394 12.785 4.378) 13.520 2.256 ( 3.088 -0.226 -2.361) 3.894 2.609 ( 7.035 10.874 6.168) 14.345 2.638 ( 9.232 -0.054 5.417) 10.704 2.945 ( -6.579 -1.338 11.233) 13.086 3.215 ( 1.614 8.272 3.276) 9.042 3.238 ( -9.131 9.814 -0.698) 13.423 3.432 ( 0.246 1.302 0.248) 1.348 3.489 ( 5.441 6.161 -3.954) 9.121 3.652 ( 1.969 6.055 -3.881) 7.457 3.791 ( -14.259 2.107 -1.105) 14.456 4.071 ( -9.688 -2.650 -6.168) 11.787 4.673 ( 2.280 4.241 9.424) 10.583 4.782 ( -1.760 14.803 4.020) 15.439 4.957 ( 0.497 9.447 2.572) 9.803 4.984 ( -1.305 7.419 4.563) 8.807 5.302 ( 0.505 -4.797 7.472) 8.893 5.332 ( -1.549 0.503 5.836) 6.059 5.415 ( 0.278 -6.035 10.829) 12.400 5.500 ( 2.111 -1.590 2.697) 3.776 6.120 ( -1.643 10.798 -7.353) 13.167 6.381 ( 1.328 -6.725 -1.414) 6.999 6.640 ( -1.769 -2.369 19.937) 20.155 6.976 ( 1.011 -0.451 20.046) 20.076 7.774 ( -1.718 -4.436 -13.795) 14.592 8.066 ( -0.521 -4.398 4.214) 6.113 8.123 ( 6.277 -2.017 -9.666) 11.700 8.462 ( -4.025 -3.337 -6.893) 8.652 8.920 ( 0.631 0.271 -1.623) 1.762 8.931 ( 1.183 -2.918 0.115) 3.150 9.230 ( -2.869 -5.335 6.855) 9.148 9.540 ( 5.205 -1.842 -2.254) 5.964 9.855 ( -1.267 1.977 6.922) 7.310 10.640 ( 4.898 6.558 -18.986) 20.675 12.513 ( -0.075 -2.504 1.208) 2.781 12.645 ( 1.537 -3.437 -2.982) 4.803 13.298 ( 0.827 1.860 1.645) 2.617 13.441 ( 5.572 -0.129 -3.108) 6.382 13.540 ( -1.187 -0.583 2.790) 3.088 13.777 ( -8.484 -0.585 -5.703) 10.240 14.162 ( -0.421 1.318 1.707) 2.197 14.310 ( 0.648 0.304 -2.070) 2.191 14.534 ( -1.580 3.068 7.374) 8.142 15.138 ( 2.206 5.106 -12.099) 13.317 16.793 ( -1.419 -3.202 1.271) 3.725 16.946 ( -0.539 -2.394 -3.631) 4.383 18.894 ( -0.004 0.361 8.796) 8.803 19.254 ( 0.167 -0.160 0.142) 0.272 19.276 ( -0.531 -0.498 7.260) 7.296 19.595 ( 1.074 0.696 11.164) 11.237 19.664 ( -2.617 0.180 3.305) 4.219 20.136 ( 4.985 -2.456 1.727) 5.819 20.462 ( 2.965 -14.538 22.839) 27.235 20.670 ( 1.470 0.390 5.343) 5.555 20.883 ( -0.415 0.836 0.068) 0.936 20.923 ( -3.634 -1.517 6.255) 7.391 21.508 ( 0.782 0.999 -9.991) 10.072 21.737 ( -2.412 -6.506 -11.165) 13.145 24.967 ( 0.884 -2.022 0.247) 2.221 25.024 ( 1.268 0.576 -1.916) 2.368 30.088 ( -1.009 4.449 1.265) 4.734 30.171 ( -0.751 4.697 -1.367) 4.949 37.047 ( -1.578 5.342 6.698) 8.712 37.498 ( -2.383 11.819 -7.123) 14.003 38.338 ( 0.052 -1.691 5.537) 5.790 38.767 ( 0.969 -2.297 -7.272) 7.687 39.865 ( 1.104 -12.078 2.567) 12.397 40.212 ( 6.006 -8.175 -8.924) 13.511 40.454 ( -3.207 12.972 -2.841) 13.662 40.840 ( -4.818 17.665 -19.130) 26.481 ======================= Grid point 166 (58/80) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 0.000 21.332 11.910) 24.431 1.807 ( 0.000 25.435 7.011) 26.383 1.930 ( -0.000 -9.531 0.735) 9.559 2.287 ( -0.000 -0.919 -8.215) 8.266 2.509 ( 0.000 10.422 13.378) 16.958 2.728 ( 0.000 3.078 1.992) 3.666 2.825 ( -0.000 -5.585 1.827) 5.877 3.036 ( 0.000 4.906 3.362) 5.948 3.051 ( 0.000 6.114 6.138) 8.663 3.437 ( 0.000 3.365 -3.299) 4.712 3.445 ( 0.000 6.606 3.012) 7.260 3.613 ( -0.000 -2.830 1.212) 3.078 3.749 ( -0.000 -6.574 -1.430) 6.727 4.093 ( -0.000 -6.764 -6.000) 9.041 4.496 ( 0.000 17.807 6.466) 18.945 4.578 ( 0.000 8.214 8.251) 11.643 4.793 ( 0.000 10.749 -4.343) 11.593 4.819 ( 0.000 9.906 7.612) 12.493 5.285 ( 0.000 1.710 0.920) 1.941 5.357 ( -0.000 -0.562 2.698) 2.756 5.531 ( -0.000 -4.432 -0.333) 4.445 5.575 ( -0.000 -6.225 18.126) 19.165 5.918 ( 0.000 11.415 -9.736) 15.003 6.528 ( -0.000 -9.750 -0.678) 9.773 6.677 ( -0.000 -3.088 23.646) 23.847 6.996 ( -0.000 -1.481 19.217) 19.274 7.841 ( -0.000 -4.404 -13.953) 14.631 8.129 ( -0.000 -3.141 3.711) 4.862 8.249 ( -0.000 -9.089 -10.555) 13.929 8.482 ( -0.000 -1.614 -6.680) 6.873 8.924 ( -0.000 -0.552 -0.229) 0.598 9.021 ( -0.000 -6.167 -0.363) 6.178 9.283 ( -0.000 -3.583 7.335) 8.163 9.619 ( -0.000 -2.683 -3.377) 4.313 9.753 ( 0.000 7.643 6.270) 9.886 10.466 ( 0.000 19.716 -20.335) 28.324 12.555 ( -0.000 -2.398 1.661) 2.917 12.702 ( -0.000 -2.034 -2.979) 3.607 13.289 ( -0.000 -0.007 2.401) 2.401 13.484 ( -0.000 -0.783 -4.555) 4.622 13.538 ( -0.000 -0.488 3.144) 3.182 13.739 ( -0.000 -1.739 -3.779) 4.160 14.112 ( 0.000 4.200 1.638) 4.508 14.280 ( 0.000 4.142 -3.315) 5.305 14.478 ( 0.000 1.897 8.906) 9.106 15.075 ( 0.000 3.687 -10.616) 11.237 16.841 ( -0.000 -3.121 1.325) 3.391 16.986 ( -0.000 -2.693 -3.350) 4.298 18.888 ( 0.000 0.345 8.795) 8.802 19.261 ( -0.000 -0.556 -2.074) 2.148 19.287 ( -0.000 -0.958 8.727) 8.779 19.589 ( 0.000 0.570 18.796) 18.805 19.652 ( -0.000 -0.238 -3.965) 3.972 20.173 ( -0.000 -0.693 -2.209) 2.315 20.616 ( 0.000 0.682 5.991) 6.030 20.819 ( 0.000 2.915 -1.821) 3.438 20.894 ( -0.000 -0.860 4.931) 5.006 20.985 ( -0.000 -29.138 23.497) 37.432 21.480 ( 0.000 2.473 -9.849) 10.155 21.846 ( -0.000 -7.097 -9.378) 11.760 25.006 ( -0.000 -1.300 -0.438) 1.372 25.033 ( -0.000 -1.093 -1.149) 1.585 30.009 ( 0.000 3.719 1.226) 3.916 30.089 ( 0.000 4.059 -1.310) 4.265 36.952 ( 0.000 4.232 5.435) 6.889 37.293 ( 0.000 9.657 -5.083) 10.913 38.380 ( -0.000 -3.192 5.284) 6.174 38.802 ( -0.000 -0.979 -7.517) 7.580 40.083 ( -0.000 -10.914 2.734) 11.251 40.115 ( 0.000 21.230 -4.577) 21.718 40.397 ( 0.000 26.405 -14.052) 29.911 40.450 ( -0.000 -9.634 -8.918) 13.128 ======================= Grid point 169 (59/80) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 14.560 0.000 8.106) 16.664 1.939 ( 12.434 0.000 8.318) 14.960 2.256 ( 11.246 0.000 -1.450) 11.339 2.334 ( 1.603 0.000 -4.416) 4.698 2.530 ( 9.732 0.000 7.836) 12.494 2.672 ( 0.380 0.000 1.351) 1.403 3.015 ( -4.311 -0.000 12.967) 13.665 3.237 ( 9.378 0.000 4.498) 10.401 3.390 ( -6.861 -0.000 -2.105) 7.177 3.406 ( -2.396 -0.000 -5.049) 5.589 3.651 ( 4.785 0.000 19.672) 20.245 4.137 ( 9.119 0.000 9.775) 13.368 4.419 ( 22.617 0.000 -0.748) 22.630 4.436 ( 20.859 0.000 0.128) 20.860 4.476 ( 9.458 0.000 -1.575) 9.588 4.684 ( 11.609 0.000 -0.088) 11.609 4.790 ( 6.694 0.000 -6.099) 9.056 4.940 ( -0.278 -0.000 -2.134) 2.152 5.071 ( -7.099 -0.000 2.132) 7.412 5.194 ( 1.372 0.000 3.249) 3.526 5.598 ( 1.808 0.000 4.303) 4.667 5.671 ( 0.459 0.000 11.251) 11.260 5.851 ( 4.287 0.000 -8.197) 9.251 6.643 ( -0.949 -0.000 29.476) 29.492 6.665 ( -1.722 -0.000 -11.590) 11.717 7.157 ( 0.284 0.000 23.710) 23.712 7.719 ( -10.453 -0.000 -0.222) 10.455 7.947 ( -13.757 -0.000 -3.994) 14.325 8.083 ( 1.314 0.000 -14.983) 15.041 8.443 ( -4.928 -0.000 -17.659) 18.333 8.936 ( -4.149 -0.000 10.849) 11.615 9.187 ( 0.469 0.000 1.306) 1.388 9.256 ( -4.449 -0.000 2.928) 5.326 9.327 ( -0.785 -0.000 -2.754) 2.864 9.599 ( 2.263 0.000 10.581) 10.821 10.338 ( 9.787 0.000 -9.926) 13.939 12.321 ( -7.409 -0.000 2.897) 7.955 12.573 ( -6.301 -0.000 -5.461) 8.338 13.295 ( 4.899 0.000 -0.200) 4.903 13.364 ( -1.230 -0.000 -1.996) 2.345 13.644 ( -1.305 -0.000 4.856) 5.029 14.076 ( -2.919 -0.000 -9.091) 9.548 14.125 ( 3.031 0.000 1.067) 3.213 14.216 ( 1.095 0.000 -2.944) 3.141 14.448 ( 0.809 0.000 9.260) 9.296 15.137 ( 9.793 0.000 -15.058) 17.962 16.774 ( -4.815 -0.000 1.790) 5.137 16.978 ( -3.533 -0.000 -5.206) 6.291 18.906 ( 0.641 0.000 8.936) 8.959 19.283 ( 0.278 0.000 -3.301) 3.313 19.296 ( -0.414 -0.000 9.098) 9.107 19.660 ( 0.306 0.000 -3.820) 3.832 19.770 ( 6.934 0.000 22.909) 23.935 20.143 ( -16.868 -0.000 21.081) 26.999 20.216 ( -0.209 -0.000 0.218) 0.302 20.631 ( 1.431 0.000 3.844) 4.102 20.765 ( -1.801 -0.000 1.882) 2.605 21.285 ( -10.352 -0.000 4.469) 11.275 21.335 ( -0.308 -0.000 -12.840) 12.844 21.735 ( -7.361 -0.000 -7.097) 10.226 24.953 ( -1.604 -0.000 1.219) 2.014 25.053 ( 0.828 0.000 -2.011) 2.175 30.225 ( 6.324 0.000 0.732) 6.366 30.283 ( 7.042 0.000 -1.036) 7.118 37.179 ( 9.334 0.000 9.668) 13.438 38.106 ( 17.699 0.000 -21.488) 27.839 38.488 ( 0.718 0.000 -2.281) 2.391 38.696 ( -3.341 -0.000 -5.109) 6.104 39.137 ( -8.698 -0.000 4.971) 10.019 39.468 ( -8.737 -0.000 -6.201) 10.714 40.850 ( 11.393 0.000 -1.950) 11.559 41.005 ( 9.768 0.000 -6.589) 11.782 ======================= Grid point 170 (60/80) ======================= q-point: ( 0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 10.747 6.781 7.150) 14.581 2.064 ( 3.080 -2.215 5.841) 6.965 2.279 ( 8.725 5.159 0.734) 10.163 2.378 ( 9.088 6.185 -1.736) 11.129 2.583 ( -0.031 -2.252 7.877) 8.193 2.860 ( 6.683 -8.208 0.226) 10.587 2.995 ( -3.536 -5.590 10.648) 12.535 3.290 ( 0.098 4.614 0.223) 4.621 3.320 ( -3.284 -1.636 -0.884) 3.774 3.368 ( 3.971 3.250 0.048) 5.131 3.661 ( 3.626 2.617 15.929) 16.544 4.121 ( 2.236 10.622 6.430) 12.617 4.447 ( 15.167 12.203 -3.300) 19.745 4.604 ( 4.968 -1.662 3.448) 6.272 4.652 ( 4.969 7.297 -1.054) 8.891 4.801 ( 4.964 -1.752 -3.331) 6.230 4.906 ( 2.761 -2.521 -1.977) 4.229 4.972 ( 1.257 -6.928 -0.855) 7.093 5.111 ( 7.548 -4.158 2.938) 9.105 5.272 ( 5.164 -2.749 3.694) 6.919 5.568 ( 0.641 4.725 12.627) 13.497 5.633 ( 0.173 4.622 6.302) 7.817 5.980 ( 3.488 -7.831 -9.402) 12.723 6.533 ( -0.765 7.859 12.955) 15.172 6.689 ( -1.498 -1.148 5.904) 6.198 7.115 ( 0.784 4.485 21.987) 22.454 7.666 ( -8.471 -7.324 1.093) 11.251 7.802 ( -8.787 -0.794 -4.429) 9.872 8.096 ( 3.386 1.653 -14.864) 15.334 8.355 ( -5.428 1.546 -14.581) 15.635 8.936 ( -2.029 -4.558 10.160) 11.319 9.092 ( -4.064 5.548 2.498) 7.317 9.186 ( -5.961 3.195 -0.233) 6.768 9.387 ( 4.780 -2.245 -4.473) 6.921 9.662 ( 2.052 -4.685 12.603) 13.602 10.477 ( 5.567 -4.832 -11.894) 13.993 12.287 ( -4.832 -5.149 2.649) 7.542 12.511 ( -4.297 -1.030 -4.689) 6.444 13.361 ( 3.884 0.653 -0.895) 4.039 13.377 ( 6.329 0.348 -1.472) 6.508 13.596 ( -3.337 1.680 4.586) 5.915 13.970 ( -8.974 2.599 -7.855) 12.206 14.167 ( 1.082 -0.613 0.844) 1.503 14.235 ( 0.957 -1.200 -0.814) 1.737 14.493 ( 0.993 -3.286 8.662) 9.318 15.251 ( 9.452 1.342 -17.757) 20.161 16.724 ( -4.543 -1.026 1.806) 4.995 16.928 ( -3.500 0.377 -4.988) 6.105 18.910 ( 0.416 0.265 8.986) 8.999 19.279 ( 0.116 0.760 1.862) 2.014 19.290 ( -0.352 0.111 4.366) 4.381 19.649 ( 0.598 1.620 -2.610) 3.130 19.866 ( 6.512 -0.448 24.219) 25.083 19.907 ( -8.648 5.659 18.487) 21.180 20.253 ( -2.684 -3.805 3.398) 5.764 20.650 ( 1.093 -0.335 3.515) 3.696 20.741 ( -3.869 -1.856 4.309) 6.081 21.141 ( -4.008 4.054 0.594) 5.732 21.383 ( 0.466 -3.699 -11.604) 12.188 21.650 ( -7.570 -1.007 -8.923) 11.745 24.935 ( -0.818 0.283 1.538) 1.765 25.057 ( 1.467 0.989 -2.425) 3.002 30.271 ( 4.176 2.373 1.070) 4.921 30.342 ( 4.819 1.941 -1.169) 5.326 37.264 ( 6.901 2.643 10.729) 13.028 38.160 ( 11.481 13.310 -16.148) 23.869 38.421 ( -1.226 5.207 0.323) 5.359 38.671 ( -2.919 -1.336 -5.404) 6.286 39.193 ( -6.797 -14.028 1.377) 15.648 39.492 ( -5.587 -13.210 -8.939) 16.901 40.932 ( 7.911 4.689 -2.116) 9.436 41.118 ( 6.893 -0.728 -8.407) 10.896 ======================= Grid point 171 (61/80) ======================= q-point: ( 0.57 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 2.173 11.162 9.652) 14.915 2.130 ( 1.590 -3.105 4.612) 5.783 2.316 ( 7.554 11.475 -4.177) 14.360 2.351 ( 2.886 -0.588 -1.708) 3.404 2.654 ( 1.326 -4.502 14.407) 15.152 2.940 ( 0.942 -1.027 4.499) 4.710 3.058 ( 2.644 10.573 17.319) 20.463 3.184 ( -1.947 -5.025 -0.819) 5.451 3.365 ( 2.589 -3.438 -8.854) 9.844 3.406 ( 2.520 -0.072 -3.759) 4.526 3.658 ( 2.062 2.889 7.838) 8.604 3.892 ( -4.321 13.843 5.476) 15.501 4.327 ( 4.450 19.925 -8.673) 22.182 4.437 ( 0.225 18.279 -8.179) 20.026 4.666 ( 2.803 -2.418 7.376) 8.253 4.940 ( 2.936 -7.251 5.875) 9.784 4.995 ( 0.942 -4.614 -1.691) 5.004 5.025 ( -4.525 -3.226 4.684) 7.268 5.219 ( 5.775 4.157 2.649) 7.593 5.351 ( 1.600 -1.097 4.098) 4.534 5.477 ( -0.238 6.372 19.066) 20.105 5.550 ( 0.273 4.603 3.029) 5.517 6.145 ( 1.695 -7.956 -9.872) 12.792 6.395 ( -0.611 7.544 8.791) 11.600 6.658 ( -1.823 1.749 7.571) 7.981 7.060 ( 1.986 4.567 23.058) 23.589 7.687 ( -3.418 -2.851 -7.330) 8.576 7.807 ( -4.090 -9.193 2.430) 10.351 8.129 ( 5.774 0.640 -12.401) 13.695 8.297 ( -6.012 -3.253 -10.120) 12.212 8.971 ( -1.297 3.344 0.842) 3.684 8.999 ( 0.066 0.276 4.254) 4.263 9.048 ( -4.845 0.065 3.365) 5.899 9.478 ( 3.660 -2.117 -5.458) 6.904 9.779 ( 1.534 -5.700 11.762) 13.160 10.612 ( 2.576 -5.217 -14.320) 15.457 12.357 ( -1.809 -7.368 1.836) 7.806 12.514 ( -1.118 -3.379 -3.402) 4.924 13.377 ( 2.271 2.042 0.796) 3.156 13.470 ( 9.705 1.630 -2.440) 10.139 13.533 ( -2.715 0.474 2.963) 4.046 13.804 ( -10.866 1.919 -6.210) 12.662 14.173 ( 0.133 0.248 1.483) 1.510 14.272 ( 0.474 -1.840 -0.771) 2.050 14.550 ( 0.045 -2.278 8.106) 8.420 15.298 ( 4.832 3.866 -17.499) 18.561 16.702 ( -2.870 -2.017 1.837) 3.959 16.896 ( -1.725 -0.579 -4.420) 4.780 18.908 ( 0.162 0.445 8.984) 8.997 19.267 ( 0.300 0.784 4.690) 4.764 19.280 ( -0.603 0.508 2.260) 2.393 19.633 ( 1.212 1.388 -1.210) 2.204 19.728 ( -4.089 4.707 18.698) 19.710 20.000 ( 7.688 -4.019 21.733) 23.400 20.243 ( -5.779 -1.262 3.947) 7.111 20.671 ( 1.045 -0.624 3.866) 4.054 20.754 ( -2.346 -4.535 6.597) 8.342 21.053 ( -0.684 3.918 -0.523) 4.012 21.462 ( 2.911 -3.322 -11.953) 12.743 21.591 ( -6.715 -2.455 -10.689) 12.860 24.928 ( -0.098 -0.259 1.544) 1.569 25.058 ( 1.364 1.116 -2.757) 3.272 30.247 ( 1.532 4.583 1.282) 5.000 30.331 ( 1.836 4.328 -1.332) 4.886 37.247 ( 2.374 6.052 10.107) 12.017 37.992 ( 4.191 17.444 -12.152) 21.669 38.349 ( -0.446 2.270 3.541) 4.230 38.680 ( -0.735 -2.598 -5.966) 6.549 39.371 ( -3.670 -15.571 1.440) 16.062 39.713 ( -2.438 -18.117 -11.029) 21.350 40.882 ( 3.521 9.873 -1.878) 10.649 41.166 ( 2.576 2.805 -12.301) 12.877 ======================= Grid point 172 (62/80) ======================= q-point: (-0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.000 2.320 10.266) 10.525 2.146 ( 0.000 13.472 -1.975) 13.616 2.192 ( -0.000 -2.721 4.315) 5.101 2.356 ( 0.000 3.323 -2.275) 4.027 2.747 ( -0.000 -3.834 14.490) 14.988 2.826 ( 0.000 14.601 15.122) 21.020 2.939 ( 0.000 3.868 1.974) 4.342 3.327 ( -0.000 -9.357 1.344) 9.453 3.368 ( 0.000 4.680 -0.749) 4.740 3.370 ( 0.000 11.762 -3.339) 12.227 3.634 ( 0.000 1.476 2.309) 2.741 3.680 ( 0.000 2.300 -3.460) 4.155 3.956 ( 0.000 24.366 -7.197) 25.407 4.123 ( 0.000 16.634 -9.469) 19.140 4.725 ( -0.000 -0.639 8.342) 8.366 4.942 ( 0.000 5.955 4.413) 7.412 5.049 ( 0.000 0.924 2.785) 2.934 5.102 ( 0.000 1.270 1.321) 1.832 5.166 ( -0.000 -3.916 12.015) 12.637 5.367 ( -0.000 -0.936 5.398) 5.479 5.369 ( 0.000 5.239 14.994) 15.883 5.509 ( 0.000 1.132 1.836) 2.157 6.268 ( 0.000 8.070 -0.408) 8.080 6.278 ( -0.000 -7.033 -7.113) 10.003 6.617 ( 0.000 1.052 14.643) 14.681 7.006 ( 0.000 3.039 23.131) 23.330 7.704 ( -0.000 -2.468 -12.397) 12.641 7.943 ( -0.000 -9.038 5.059) 10.358 8.172 ( 0.000 1.030 -11.724) 11.769 8.333 ( -0.000 -6.702 -6.471) 9.316 8.928 ( 0.000 1.680 0.226) 1.695 8.937 ( 0.000 1.542 -1.236) 1.976 9.116 ( -0.000 -6.221 7.158) 9.483 9.536 ( -0.000 -2.121 -5.788) 6.164 9.854 ( -0.000 -1.909 10.499) 10.671 10.697 ( -0.000 -2.243 -17.389) 17.533 12.452 ( -0.000 -4.893 1.479) 5.111 12.582 ( -0.000 -4.906 -2.842) 5.670 13.343 ( 0.000 2.986 1.765) 3.468 13.517 ( -0.000 -0.692 2.478) 2.573 13.521 ( 0.000 2.445 -4.650) 5.254 13.701 ( -0.000 -0.141 -4.121) 4.124 14.170 ( 0.000 0.195 1.795) 1.805 14.302 ( -0.000 -1.409 -1.264) 1.892 14.561 ( 0.000 0.881 7.733) 7.783 15.246 ( 0.000 5.576 -15.175) 16.167 16.727 ( -0.000 -3.139 1.792) 3.614 16.906 ( -0.000 -1.758 -3.976) 4.347 18.901 ( 0.000 0.456 8.884) 8.895 19.261 ( 0.000 0.662 -1.593) 1.725 19.266 ( -0.000 -0.025 9.299) 9.299 19.637 ( 0.000 2.870 18.307) 18.530 19.639 ( -0.000 -0.175 -3.225) 3.230 20.173 ( 0.000 0.964 -2.074) 2.287 20.213 ( -0.000 -12.625 29.049) 31.674 20.683 ( 0.000 0.109 4.433) 4.434 20.818 ( -0.000 -4.175 7.289) 8.400 20.980 ( 0.000 4.648 -0.797) 4.716 21.529 ( -0.000 -0.056 -10.265) 10.265 21.602 ( -0.000 -6.358 -12.961) 14.436 24.942 ( -0.000 -1.418 1.032) 1.754 25.049 ( 0.000 1.157 -2.682) 2.921 30.169 ( 0.000 5.546 1.336) 5.704 30.256 ( 0.000 5.557 -1.411) 5.734 37.146 ( 0.000 7.089 8.474) 11.049 37.730 ( 0.000 16.470 -9.235) 18.882 38.326 ( 0.000 0.312 5.043) 5.053 38.727 ( -0.000 -3.086 -6.819) 7.485 39.614 ( -0.000 -16.360 2.208) 16.508 39.996 ( -0.000 -17.371 -10.936) 20.527 40.698 ( 0.000 14.681 -1.829) 14.795 41.071 ( 0.000 10.892 -16.378) 19.669 ======================= Grid point 177 (63/80) ======================= q-point: ( 0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 0.686 0.000 6.272) 6.310 2.108 ( 10.881 0.000 8.130) 13.583 2.386 ( -3.973 -0.000 0.391) 3.992 2.457 ( 5.156 0.000 10.111) 11.350 2.735 ( 5.568 0.000 -3.207) 6.426 2.799 ( 12.340 0.000 -0.803) 12.366 2.895 ( -4.404 -0.000 9.401) 10.382 3.125 ( -12.438 -0.000 -4.215) 13.133 3.412 ( 0.280 0.000 0.931) 0.972 3.461 ( 6.864 0.000 -0.925) 6.926 3.702 ( 0.669 0.000 25.923) 25.931 4.234 ( -0.238 -0.000 6.225) 6.229 4.586 ( 4.923 0.000 1.341) 5.102 4.681 ( -0.563 -0.000 -0.501) 0.754 4.832 ( -3.673 -0.000 -3.286) 4.928 4.843 ( 1.558 0.000 -6.101) 6.297 4.861 ( -1.963 -0.000 -4.778) 5.165 4.904 ( 12.038 0.000 2.790) 12.357 5.274 ( 15.216 0.000 1.071) 15.253 5.319 ( 4.985 0.000 4.614) 6.793 5.601 ( -1.074 -0.000 21.576) 21.603 5.707 ( 1.651 0.000 -5.040) 5.304 5.929 ( 1.788 0.000 -7.648) 7.854 6.632 ( -0.836 -0.000 -11.407) 11.437 6.635 ( -0.024 -0.000 32.680) 32.680 7.159 ( 0.122 0.000 20.745) 20.746 7.493 ( -6.271 -0.000 1.775) 6.518 7.693 ( -6.146 -0.000 -4.329) 7.518 8.154 ( 3.919 0.000 -16.055) 16.527 8.310 ( -5.372 -0.000 -18.098) 18.879 8.864 ( -1.352 -0.000 14.061) 14.126 9.105 ( -2.978 -0.000 1.586) 3.374 9.152 ( -3.341 -0.000 0.764) 3.428 9.426 ( 3.867 0.000 -5.897) 7.052 9.639 ( 1.031 0.000 13.819) 13.858 10.484 ( 2.575 0.000 -11.651) 11.932 12.190 ( -2.887 -0.000 3.362) 4.432 12.453 ( -2.782 -0.000 -5.122) 5.828 13.408 ( 4.481 0.000 0.558) 4.515 13.505 ( 11.686 0.000 -2.739) 12.002 13.554 ( -5.373 -0.000 3.691) 6.518 13.851 ( -12.998 -0.000 -6.438) 14.505 14.179 ( 1.166 0.000 1.052) 1.571 14.238 ( 0.688 0.000 -0.960) 1.181 14.479 ( 1.147 0.000 10.125) 10.189 15.364 ( 6.129 0.000 -20.949) 21.827 16.668 ( -2.875 -0.000 2.256) 3.655 16.891 ( -2.566 -0.000 -5.066) 5.678 18.917 ( 0.222 0.000 9.063) 9.066 19.286 ( -0.299 -0.000 9.486) 9.491 19.289 ( 0.143 0.000 -3.118) 3.121 19.667 ( 0.164 0.000 -3.956) 3.959 19.872 ( -5.365 -0.000 23.176) 23.789 19.936 ( 5.225 0.000 26.217) 26.733 20.199 ( -0.677 -0.000 0.990) 1.200 20.661 ( 0.799 0.000 3.190) 3.289 20.662 ( -4.940 -0.000 5.375) 7.300 21.126 ( -2.608 -0.000 -0.556) 2.667 21.387 ( 4.491 0.000 -12.392) 13.181 21.546 ( -7.556 -0.000 -10.199) 12.694 24.930 ( -0.370 -0.000 1.954) 1.989 25.079 ( 0.848 0.000 -2.839) 2.963 30.334 ( 2.369 0.000 1.161) 2.638 30.409 ( 2.824 0.000 -1.185) 3.062 37.366 ( 4.692 0.000 12.554) 13.402 38.374 ( 5.117 0.000 -5.691) 7.653 38.500 ( 0.145 0.000 -15.703) 15.704 38.623 ( -2.041 -0.000 -4.590) 5.023 38.982 ( -3.471 -0.000 4.210) 5.456 39.321 ( -3.120 -0.000 -9.032) 9.555 41.047 ( 4.304 0.000 -2.471) 4.963 41.179 ( 3.876 0.000 -6.548) 7.610 ======================= Grid point 178 (64/80) ======================= q-point: (-0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 0.000 13.699 11.254) 17.729 2.085 ( -0.000 -2.551 5.713) 6.257 2.349 ( -0.000 -1.241 -3.146) 3.382 2.546 ( -0.000 -2.057 10.193) 10.399 2.611 ( 0.000 10.002 -0.578) 10.019 2.891 ( -0.000 -3.044 6.929) 7.569 3.005 ( -0.000 -6.404 3.681) 7.387 3.160 ( -0.000 -14.677 -8.647) 17.035 3.319 ( 0.000 10.374 6.466) 12.225 3.489 ( 0.000 2.341 -3.003) 3.808 3.701 ( 0.000 0.978 19.125) 19.150 4.122 ( 0.000 12.502 6.341) 14.018 4.594 ( 0.000 7.725 -3.979) 8.689 4.639 ( 0.000 1.417 2.961) 3.283 4.734 ( 0.000 10.487 -10.785) 15.043 4.862 ( -0.000 -2.458 2.939) 3.831 4.891 ( -0.000 -6.713 -3.469) 7.556 4.981 ( -0.000 -0.428 3.628) 3.653 5.339 ( 0.000 3.070 2.379) 3.884 5.358 ( 0.000 0.169 3.538) 3.542 5.561 ( 0.000 3.735 22.298) 22.609 5.641 ( 0.000 6.467 -1.692) 6.685 6.025 ( -0.000 -7.757 -9.571) 12.320 6.525 ( 0.000 8.124 12.439) 14.856 6.662 ( -0.000 -0.152 7.259) 7.260 7.137 ( 0.000 2.829 21.306) 21.493 7.538 ( -0.000 -8.977 2.306) 9.269 7.687 ( -0.000 -3.524 -4.756) 5.919 8.188 ( 0.000 0.073 -14.234) 14.234 8.237 ( 0.000 2.284 -15.693) 15.858 8.907 ( -0.000 -5.452 11.856) 13.050 9.029 ( 0.000 4.841 1.947) 5.218 9.104 ( 0.000 4.213 -0.604) 4.256 9.467 ( -0.000 -1.848 -6.489) 6.747 9.694 ( -0.000 -5.274 13.699) 14.680 10.540 ( -0.000 -4.537 -12.563) 13.357 12.225 ( -0.000 -6.032 2.967) 6.722 12.456 ( -0.000 -2.299 -4.501) 5.054 13.439 ( 0.000 2.029 1.952) 2.816 13.502 ( -0.000 -0.188 2.345) 2.353 13.606 ( 0.000 2.043 -3.436) 3.998 13.718 ( 0.000 0.589 -5.414) 5.446 14.183 ( 0.000 0.460 1.128) 1.218 14.250 ( -0.000 -1.026 -0.608) 1.193 14.510 ( -0.000 -2.471 9.565) 9.879 15.384 ( 0.000 2.306 -20.752) 20.880 16.658 ( -0.000 -1.013 2.278) 2.493 16.877 ( -0.000 -0.239 -4.790) 4.796 18.915 ( 0.000 0.314 9.075) 9.080 19.280 ( 0.000 0.477 9.536) 9.548 19.286 ( 0.000 0.491 -2.913) 2.954 19.659 ( 0.000 0.973 -3.379) 3.516 19.789 ( 0.000 5.213 21.998) 22.607 19.992 ( -0.000 -2.601 26.826) 26.952 20.203 ( -0.000 -0.258 0.450) 0.519 20.659 ( -0.000 -3.702 6.453) 7.440 20.670 ( -0.000 -0.504 3.272) 3.311 21.095 ( 0.000 1.963 -1.218) 2.310 21.460 ( -0.000 -2.243 -11.811) 12.022 21.487 ( -0.000 -1.572 -11.264) 11.373 24.926 ( 0.000 0.112 1.982) 1.985 25.080 ( 0.000 0.551 -2.981) 3.032 30.323 ( 0.000 2.963 1.256) 3.218 30.404 ( 0.000 2.678 -1.264) 2.961 37.357 ( 0.000 4.412 12.193) 12.966 38.318 ( 0.000 17.292 -15.936) 23.515 38.384 ( 0.000 2.223 1.538) 2.703 38.630 ( -0.000 -2.259 -5.051) 5.533 39.107 ( -0.000 -13.448 1.331) 13.514 39.422 ( -0.000 -13.652 -10.648) 17.314 41.031 ( 0.000 5.202 -2.312) 5.693 41.205 ( 0.000 0.086 -8.120) 8.121 ======================= Grid point 204 (65/80) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 0.000 18.131) 18.131 1.588 ( 0.000 0.000 20.756) 20.756 1.788 ( 0.000 0.000 -14.413) 14.413 1.969 ( 0.000 0.000 -18.621) 18.621 2.623 ( 0.000 0.000 8.737) 8.737 2.709 ( 0.000 0.000 -1.112) 1.112 3.028 ( 0.000 0.000 -0.355) 0.355 3.053 ( 0.000 0.000 -3.214) 3.214 3.109 ( 0.000 0.000 6.113) 6.113 3.241 ( 0.000 0.000 -6.930) 6.930 3.690 ( 0.000 0.000 21.531) 21.531 3.812 ( 0.000 0.000 2.279) 2.279 3.839 ( 0.000 0.000 -0.477) 0.477 4.029 ( 0.000 0.000 -14.101) 14.101 4.249 ( 0.000 0.000 7.036) 7.036 4.395 ( 0.000 0.000 -8.224) 8.224 4.539 ( 0.000 0.000 7.546) 7.546 4.648 ( 0.000 0.000 -2.395) 2.395 5.291 ( 0.000 0.000 7.004) 7.004 5.413 ( 0.000 0.000 3.701) 3.701 5.482 ( 0.000 0.000 -11.320) 11.320 5.494 ( 0.000 0.000 -4.772) 4.772 6.096 ( 0.000 0.000 20.381) 20.381 6.452 ( 0.000 0.000 -16.506) 16.506 7.195 ( 0.000 0.000 23.125) 23.125 7.602 ( 0.000 0.000 -19.084) 19.084 7.642 ( 0.000 0.000 28.241) 28.241 8.156 ( 0.000 0.000 -24.791) 24.791 8.251 ( 0.000 0.000 4.719) 4.719 8.360 ( 0.000 0.000 -6.437) 6.437 9.162 ( 0.000 0.000 1.627) 1.627 9.181 ( 0.000 0.000 -0.329) 0.329 9.487 ( 0.000 0.000 6.945) 6.945 9.555 ( 0.000 0.000 2.148) 2.148 9.601 ( 0.000 0.000 -4.856) 4.856 9.607 ( 0.000 0.000 -3.304) 3.304 12.637 ( 0.000 0.000 2.092) 2.092 12.682 ( 0.000 0.000 -2.517) 2.517 13.385 ( 0.000 0.000 4.142) 4.142 13.463 ( 0.000 0.000 -3.936) 3.936 13.618 ( 0.000 0.000 3.856) 3.856 13.694 ( 0.000 0.000 -4.119) 4.119 14.034 ( 0.000 0.000 1.369) 1.369 14.070 ( 0.000 0.000 -2.342) 2.342 14.647 ( 0.000 0.000 10.061) 10.061 14.842 ( 0.000 0.000 -10.081) 10.081 16.930 ( 0.000 0.000 2.186) 2.186 16.979 ( 0.000 0.000 -2.924) 2.924 19.046 ( 0.000 0.000 8.073) 8.073 19.183 ( 0.000 0.000 -6.016) 6.016 19.456 ( 0.000 0.000 6.980) 6.980 19.571 ( 0.000 0.000 -5.064) 5.064 19.927 ( 0.000 0.000 14.262) 14.262 20.119 ( 0.000 0.000 -6.184) 6.184 20.663 ( 0.000 0.000 3.440) 3.440 20.717 ( 0.000 0.000 -2.239) 2.239 21.016 ( 0.000 0.000 8.421) 8.421 21.215 ( 0.000 0.000 -11.540) 11.540 21.802 ( 0.000 0.000 2.793) 2.793 21.863 ( 0.000 0.000 -3.469) 3.469 25.038 ( 0.000 0.000 0.392) 0.392 25.048 ( 0.000 0.000 -0.649) 0.649 29.969 ( 0.000 0.000 1.293) 1.293 29.994 ( 0.000 0.000 -1.307) 1.307 36.968 ( 0.000 0.000 4.598) 4.598 37.054 ( 0.000 0.000 -4.298) 4.298 38.555 ( 0.000 0.000 5.428) 5.428 38.669 ( 0.000 0.000 -6.272) 6.272 39.637 ( 0.000 0.000 8.255) 8.255 39.800 ( 0.000 0.000 -8.613) 8.613 40.344 ( 0.000 0.000 5.100) 5.100 40.463 ( 0.000 0.000 -7.143) 7.143 ======================= Grid point 205 (66/80) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -0.021 -6.140 15.849) 16.997 1.770 ( 9.520 -12.989 13.106) 20.763 1.830 ( -0.303 -2.689 -11.041) 11.368 2.047 ( 5.949 -5.613 -14.288) 16.464 2.607 ( -3.180 0.324 6.471) 7.217 2.676 ( -3.666 0.902 -1.517) 4.068 3.057 ( 13.328 4.196 5.913) 15.172 3.126 ( 17.674 4.192 -1.713) 18.245 3.155 ( 8.603 0.979 2.356) 8.973 3.275 ( 1.106 -2.756 -7.202) 7.790 3.583 ( -10.836 2.527 11.243) 15.818 3.697 ( -8.760 3.382 -1.834) 9.568 3.903 ( 12.647 2.786 7.429) 14.930 4.088 ( 10.471 2.721 -9.905) 14.668 4.367 ( 0.579 -11.685 6.686) 13.476 4.498 ( 0.459 -9.099 -6.867) 11.409 4.621 ( 3.623 -7.832 7.782) 11.621 4.739 ( 4.148 -7.356 -3.187) 9.026 5.328 ( -0.113 -3.595 7.290) 8.129 5.392 ( -3.199 -1.345 2.775) 4.443 5.471 ( -1.316 1.155 -3.494) 3.908 5.566 ( 3.554 -6.155 -11.119) 13.196 6.070 ( -0.651 2.975 20.470) 20.695 6.423 ( -0.781 3.166 -16.103) 16.430 7.173 ( -0.695 2.120 23.367) 23.474 7.576 ( 0.060 6.624 23.379) 24.299 7.584 ( 0.307 2.620 -15.351) 15.576 8.062 ( -2.106 9.072 -22.473) 24.326 8.220 ( -4.063 0.154 4.725) 6.234 8.332 ( -4.504 -0.852 -6.874) 8.262 9.036 ( -1.274 6.984 3.405) 7.873 9.087 ( -2.062 6.286 -1.831) 6.864 9.489 ( 2.002 2.299 5.360) 6.167 9.551 ( -4.639 -1.218 -0.964) 4.892 9.722 ( 3.010 -11.349 3.706) 12.312 9.850 ( 4.347 -16.117 -8.870) 18.903 12.607 ( -2.969 1.115 2.330) 3.935 12.658 ( -2.432 1.123 -2.939) 3.977 13.351 ( -2.390 1.447 3.603) 4.559 13.420 ( -2.801 1.999 -3.579) 4.965 13.632 ( 2.939 0.916 4.065) 5.099 13.718 ( 4.842 1.160 -4.907) 6.991 14.084 ( 1.586 -4.273 2.063) 5.003 14.132 ( 1.055 -5.223 -2.853) 6.044 14.645 ( -0.439 -0.455 10.016) 10.036 14.840 ( -0.692 -0.621 -10.173) 10.216 16.911 ( -0.745 1.566 2.209) 2.808 16.961 ( -0.540 1.637 -3.022) 3.480 19.049 ( 0.248 -0.092 7.999) 8.003 19.183 ( 0.171 0.046 -5.891) 5.893 19.451 ( -0.032 0.502 7.063) 7.081 19.568 ( -0.100 0.354 -5.132) 5.145 19.934 ( 2.103 0.656 13.818) 13.992 20.119 ( 1.218 0.922 -5.962) 6.154 20.679 ( 0.361 -1.487 3.554) 3.870 20.735 ( 0.043 -1.820 -2.280) 2.918 20.980 ( -6.825 -0.383 10.187) 12.268 21.203 ( -4.213 -0.990 -12.234) 12.977 21.650 ( -2.425 12.839 7.811) 15.223 21.791 ( -2.369 6.515 -6.925) 9.799 25.020 ( -0.988 1.213 0.496) 1.641 25.032 ( -0.918 1.219 -0.808) 1.727 30.009 ( 3.675 -1.650 1.231) 4.212 30.033 ( 3.459 -1.783 -1.294) 4.101 37.025 ( 5.234 -2.597 5.735) 8.187 37.140 ( 8.337 -3.007 -6.189) 10.810 38.534 ( -0.424 2.034 5.949) 6.301 38.660 ( -0.795 0.601 -7.029) 7.100 39.726 ( -7.881 -14.672 5.197) 17.447 39.842 ( -9.523 -11.446 -6.493) 16.244 40.370 ( 10.376 4.192 3.836) 11.830 40.474 ( 8.463 4.143 -6.826) 11.636 ======================= Grid point 206 (67/80) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -0.563 -11.410 8.624) 14.313 1.838 ( -2.674 -3.469 -5.847) 7.306 2.081 ( 6.718 -7.533 5.269) 11.386 2.185 ( 3.205 -1.364 -5.536) 6.541 2.560 ( 2.082 1.688 3.624) 4.508 2.613 ( 0.012 3.639 -1.840) 4.078 3.201 ( 1.408 -5.068 7.015) 8.768 3.265 ( 12.526 2.618 1.015) 12.837 3.309 ( 14.210 -0.282 0.007) 14.213 3.349 ( 3.450 -0.923 -3.446) 4.963 3.411 ( -4.786 1.581 7.151) 8.749 3.544 ( -2.946 4.139 -5.437) 7.441 4.035 ( 13.549 2.475 6.708) 15.320 4.174 ( 12.711 5.209 -7.386) 15.597 4.597 ( 1.613 -14.755 3.536) 15.258 4.653 ( 0.064 -10.135 -1.758) 10.286 4.846 ( 5.075 -10.508 6.148) 13.189 4.940 ( 4.881 -8.003 -2.360) 9.667 5.340 ( -3.672 -1.761 2.273) 4.664 5.385 ( -4.536 -1.345 -1.893) 5.096 5.497 ( 3.721 -3.919 10.400) 11.720 5.744 ( 3.718 -9.328 -13.139) 16.537 5.976 ( -1.176 7.059 20.405) 21.624 6.323 ( -1.471 7.239 -15.033) 16.750 7.121 ( -0.329 2.798 23.553) 23.721 7.458 ( -1.164 6.193 22.888) 23.740 7.541 ( 1.106 3.409 -18.910) 19.246 7.861 ( -5.376 8.070 -17.304) 19.836 8.177 ( -4.003 -1.850 5.511) 7.058 8.311 ( -3.106 -2.957 -8.575) 9.588 8.955 ( 1.352 3.760 1.815) 4.389 8.985 ( 0.727 5.235 -1.170) 5.413 9.449 ( -0.653 3.606 3.713) 5.217 9.488 ( -5.222 1.383 -0.300) 5.410 9.914 ( 0.568 -8.352 8.322) 11.804 10.122 ( 1.502 -11.533 -12.914) 17.379 12.549 ( -3.300 0.694 1.994) 3.918 12.597 ( -3.476 1.383 -2.936) 4.755 13.307 ( -2.016 0.218 2.570) 3.274 13.358 ( -2.672 1.135 -2.754) 4.001 13.651 ( 3.071 1.343 4.974) 5.998 13.761 ( 5.450 1.588 -6.530) 8.653 14.171 ( 1.137 -3.204 2.111) 4.002 14.218 ( 0.294 -3.460 -2.751) 4.430 14.667 ( 0.552 -2.242 9.400) 9.680 14.856 ( -0.265 -2.106 -10.201) 10.420 16.872 ( -0.635 1.803 2.062) 2.812 16.921 ( -0.645 2.035 -3.076) 3.744 19.054 ( 0.269 -0.068 7.873) 7.878 19.185 ( 0.226 0.063 -5.669) 5.674 19.439 ( -0.141 0.766 7.062) 7.105 19.555 ( -0.466 0.827 -4.938) 5.028 19.960 ( 3.777 0.465 12.122) 12.705 20.113 ( 0.877 1.643 -4.304) 4.690 20.709 ( -0.285 -1.589 3.813) 4.140 20.751 ( -3.969 -1.146 1.163) 4.292 20.875 ( -6.848 0.448 11.220) 13.153 21.114 ( -7.197 3.183 -9.747) 12.527 21.462 ( 1.896 7.410 7.326) 10.591 21.650 ( -0.709 6.672 -10.344) 12.330 24.983 ( -1.363 1.349 0.460) 1.972 24.995 ( -1.120 1.404 -0.826) 1.977 30.090 ( 4.099 -1.800 1.273) 4.654 30.115 ( 3.980 -1.996 -1.337) 4.649 37.151 ( 6.359 -3.054 7.552) 10.335 37.305 ( 9.029 -2.943 -8.420) 12.691 38.489 ( -0.841 2.226 6.694) 7.104 38.629 ( -1.418 1.304 -7.762) 7.998 39.836 ( -11.641 -11.924 3.145) 16.958 39.917 ( -11.167 -12.021 -5.247) 17.226 40.459 ( 12.248 2.459 2.412) 12.723 40.559 ( 12.550 1.335 -8.070) 14.980 ======================= Grid point 207 (68/80) ======================= q-point: ( 0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -1.369 -4.984 2.713) 5.838 1.892 ( -0.168 -6.226 -1.032) 6.314 2.157 ( 0.206 3.692 1.280) 3.913 2.190 ( 1.719 -0.358 -1.800) 2.514 2.568 ( 1.083 2.411 4.860) 5.532 2.635 ( 4.254 -2.868 -1.654) 5.391 3.171 ( -3.499 3.963 7.376) 9.074 3.252 ( 0.172 2.368 1.804) 2.982 3.321 ( -1.180 -1.503 1.404) 2.371 3.418 ( 0.948 0.544 -5.658) 5.763 3.507 ( 3.920 -3.375 3.433) 6.208 3.604 ( 6.816 -2.685 -6.124) 9.548 4.112 ( 5.047 1.642 4.521) 6.972 4.192 ( 3.956 4.291 -3.930) 7.036 4.806 ( 1.626 -5.119 4.084) 6.748 4.854 ( 3.209 -9.299 -1.220) 9.913 5.021 ( 2.436 -4.181 2.497) 5.445 5.054 ( 1.373 -0.717 -0.573) 1.651 5.339 ( -1.278 -1.580 0.901) 2.223 5.364 ( -1.342 -1.025 -1.873) 2.522 5.626 ( 1.785 -7.398 17.492) 19.076 5.794 ( -1.634 8.983 18.275) 20.429 5.968 ( 2.785 -9.641 -12.924) 16.362 6.161 ( -1.831 9.777 -15.018) 18.013 7.088 ( 0.253 1.106 23.087) 23.115 7.363 ( -1.446 2.550 20.343) 20.554 7.511 ( 1.036 1.751 -19.531) 19.637 7.711 ( -3.478 2.689 -14.847) 15.484 8.190 ( -0.809 -2.271 7.046) 7.447 8.347 ( -0.501 -2.830 -9.090) 9.534 8.922 ( 1.107 2.317 0.078) 2.569 8.923 ( 0.995 3.262 -0.129) 3.413 9.373 ( -2.059 2.173 3.176) 4.365 9.412 ( -2.804 0.800 -0.551) 2.968 10.005 ( -0.294 -2.768 11.376) 11.711 10.258 ( 0.392 -3.731 -14.495) 14.973 12.514 ( -1.286 0.072 1.060) 1.668 12.546 ( -1.654 0.582 -2.204) 2.817 13.297 ( -0.510 -0.676 1.122) 1.406 13.321 ( -1.210 0.553 -1.335) 1.885 13.661 ( 1.274 0.658 5.796) 5.971 13.790 ( 2.272 0.743 -7.649) 8.013 14.208 ( 0.159 -0.674 2.037) 2.152 14.250 ( -0.192 -0.790 -2.311) 2.449 14.714 ( 0.684 -1.583 8.187) 8.366 14.890 ( 0.111 -1.388 -9.897) 9.995 16.845 ( -0.159 0.744 1.670) 1.835 16.889 ( -0.316 0.933 -2.873) 3.037 19.057 ( 0.110 -0.018 7.811) 7.812 19.186 ( 0.110 0.027 -5.547) 5.548 19.427 ( -0.102 0.396 6.833) 6.845 19.536 ( -0.340 0.530 -4.471) 4.515 20.011 ( 4.214 -0.707 8.370) 9.398 20.076 ( -2.210 1.890 1.467) 3.257 20.660 ( -4.176 1.027 12.733) 13.439 20.730 ( -0.645 -0.616 2.667) 2.812 20.859 ( -0.303 -1.296 1.177) 1.777 20.988 ( -2.989 2.790 -5.829) 7.120 21.422 ( 1.072 1.320 2.465) 2.994 21.576 ( 0.275 2.214 -10.724) 10.954 24.952 ( -0.639 0.641 0.697) 1.142 24.968 ( -0.503 0.517 -1.057) 1.279 30.150 ( 1.702 -0.749 1.363) 2.305 30.176 ( 1.673 -0.823 -1.404) 2.334 37.248 ( 2.776 -1.296 8.660) 9.186 37.423 ( 3.748 -1.236 -9.362) 10.159 38.452 ( -0.503 0.954 6.995) 7.077 38.595 ( -0.822 0.764 -7.664) 7.745 39.857 ( -4.709 -3.735 3.935) 7.184 39.947 ( -4.569 -3.811 -5.419) 8.048 40.551 ( 4.960 0.219 2.901) 5.750 40.681 ( 5.235 -0.964 -11.033) 12.251 ======================= Grid point 212 (69/80) ======================= q-point: ( 0.14 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 14.742 0.000 11.034) 18.414 1.720 ( 9.296 0.000 16.191) 18.670 1.900 ( 9.427 0.000 -8.858) 12.936 2.051 ( 5.933 0.000 -16.020) 17.083 2.592 ( 0.123 0.000 7.079) 7.081 2.664 ( -0.258 -0.000 -1.324) 1.349 3.136 ( 3.641 0.000 7.772) 8.583 3.273 ( 2.491 0.000 -5.919) 6.421 3.403 ( 8.461 0.000 3.493) 9.154 3.476 ( 14.748 0.000 -4.708) 15.482 3.507 ( 8.336 0.000 10.245) 13.208 3.636 ( 5.141 0.000 -4.007) 6.518 4.059 ( 10.837 0.000 10.054) 14.783 4.234 ( 9.868 0.000 -7.469) 12.376 4.284 ( 2.856 0.000 8.745) 9.199 4.462 ( 4.531 0.000 -9.391) 10.426 4.607 ( 5.495 0.000 7.836) 9.571 4.744 ( 6.427 0.000 -5.275) 8.315 5.291 ( -2.179 -0.000 3.801) 4.381 5.307 ( -6.836 -0.000 1.985) 7.118 5.485 ( 1.446 0.000 -1.683) 2.219 5.564 ( 4.916 0.000 -8.742) 10.029 6.082 ( -1.048 -0.000 20.241) 20.268 6.435 ( -1.246 -0.000 -16.368) 16.416 7.182 ( -0.629 -0.000 24.365) 24.373 7.604 ( 0.257 0.000 -19.350) 19.351 7.644 ( -0.209 -0.000 26.697) 26.698 8.128 ( -6.666 -0.000 -9.133) 11.307 8.137 ( -4.859 -0.000 -11.730) 12.697 8.209 ( -11.744 -0.000 -4.742) 12.665 9.095 ( -1.465 -0.000 2.440) 2.846 9.127 ( -0.646 -0.000 -0.901) 1.109 9.447 ( -6.171 -0.000 0.653) 6.206 9.455 ( -6.360 -0.000 -0.360) 6.370 9.674 ( 8.783 0.000 10.679) 13.827 9.868 ( 12.053 0.000 -9.259) 15.198 12.557 ( -6.054 -0.000 2.936) 6.729 12.622 ( -4.859 -0.000 -3.804) 6.170 13.324 ( -3.358 -0.000 3.358) 4.749 13.390 ( -4.365 -0.000 -3.359) 5.508 13.694 ( 4.642 0.000 5.119) 6.910 13.811 ( 7.205 0.000 -7.033) 10.069 14.074 ( 2.787 0.000 1.409) 3.123 14.106 ( 2.617 0.000 -1.978) 3.280 14.633 ( -0.747 -0.000 9.970) 9.998 14.827 ( -0.534 -0.000 -10.095) 10.109 16.904 ( -2.244 -0.000 2.436) 3.312 16.960 ( -1.759 -0.000 -3.401) 3.828 19.053 ( 0.523 0.000 7.962) 7.979 19.187 ( 0.350 0.000 -5.889) 5.899 19.456 ( -0.012 -0.000 7.051) 7.051 19.572 ( 0.070 0.000 -5.092) 5.093 19.976 ( 3.889 0.000 13.567) 14.114 20.149 ( 2.223 0.000 -5.147) 5.607 20.673 ( 0.557 0.000 3.123) 3.172 20.715 ( -1.843 -0.000 -0.864) 2.035 20.878 ( -8.422 -0.000 11.784) 14.484 21.137 ( -5.257 -0.000 -14.072) 15.022 21.679 ( -9.111 -0.000 5.614) 10.702 21.784 ( -6.215 -0.000 -5.331) 8.188 25.014 ( -1.638 -0.000 0.731) 1.793 25.031 ( -1.096 -0.000 -1.000) 1.483 30.064 ( 6.833 0.000 0.933) 6.896 30.084 ( 6.609 0.000 -1.106) 6.701 37.103 ( 10.264 0.000 7.924) 12.967 37.279 ( 16.263 0.000 -10.675) 19.454 38.546 ( -0.825 -0.000 4.792) 4.863 38.650 ( -1.542 -0.000 -5.895) 6.093 39.489 ( -9.924 -0.000 6.804) 12.032 39.618 ( -11.222 -0.000 -6.417) 12.927 40.545 ( 12.548 0.000 2.594) 12.813 40.625 ( 10.948 0.000 -5.598) 12.296 ======================= Grid point 213 (70/80) ======================= q-point: ( 0.29 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 12.345 4.979 9.666) 16.450 1.888 ( 7.330 5.447 -6.354) 11.126 2.061 ( 11.492 -6.468 6.026) 14.498 2.193 ( 5.100 -3.362 -7.119) 9.381 2.631 ( 4.331 -1.563 4.820) 6.666 2.691 ( 4.252 -1.517 -1.733) 4.835 3.176 ( 2.597 -0.342 6.820) 7.306 3.287 ( -1.164 1.181 -3.045) 3.468 3.355 ( -3.789 -0.922 3.434) 5.196 3.422 ( -6.395 1.231 -3.219) 7.264 3.662 ( 20.597 12.709 9.489) 25.996 3.801 ( 24.419 13.266 -5.137) 28.261 4.209 ( 9.808 1.582 10.269) 14.288 4.375 ( 12.437 -1.021 -5.248) 13.538 4.450 ( 8.002 -9.473 2.486) 12.647 4.548 ( 4.639 -5.893 -6.624) 10.006 4.749 ( 5.944 -8.014 7.883) 12.716 4.881 ( 5.399 -6.773 -4.939) 9.971 5.242 ( -5.821 -2.770 2.485) 6.909 5.277 ( -4.888 -3.331 -0.246) 5.920 5.520 ( 4.642 -0.125 4.223) 6.277 5.676 ( 4.979 -5.401 -10.313) 12.662 6.043 ( -1.397 3.171 20.175) 20.471 6.391 ( -1.613 3.391 -15.820) 16.259 7.158 ( -0.108 2.302 25.289) 25.394 7.558 ( -1.876 6.743 17.016) 18.400 7.601 ( 1.018 2.448 -13.302) 13.564 7.934 ( -8.514 9.101 -12.897) 17.934 8.037 ( -9.517 -4.240 3.239) 10.911 8.177 ( -6.169 -5.196 -12.677) 15.025 9.052 ( 2.533 3.860 3.433) 5.753 9.098 ( 3.229 4.654 -1.341) 5.821 9.386 ( -8.167 -2.019 1.512) 8.548 9.406 ( -8.186 -2.117 -0.647) 8.480 9.821 ( 5.424 -5.577 11.738) 14.082 10.052 ( 9.116 -5.430 -11.889) 15.935 12.485 ( -6.215 -1.130 2.997) 6.992 12.552 ( -5.642 0.013 -4.012) 6.923 13.291 ( -0.968 0.269 2.277) 2.489 13.340 ( -2.426 0.424 -2.723) 3.671 13.720 ( 2.586 2.281 6.198) 7.092 13.858 ( 3.888 2.633 -8.200) 9.449 14.140 ( 2.450 -2.895 1.361) 4.029 14.172 ( 1.942 -3.119 -1.957) 4.163 14.642 ( 0.714 -1.603 9.795) 9.951 14.839 ( 1.715 -0.970 -10.647) 10.827 16.866 ( -3.103 0.380 2.484) 3.994 16.924 ( -2.672 0.804 -3.626) 4.575 19.060 ( 0.565 0.101 7.857) 7.878 19.191 ( 0.411 0.137 -5.730) 5.746 19.450 ( -0.087 0.609 7.099) 7.126 19.566 ( -0.004 0.773 -5.037) 5.096 20.024 ( 4.905 0.804 11.794) 12.798 20.159 ( 1.346 2.116 -3.116) 4.000 20.649 ( -9.352 -0.766 9.268) 13.189 20.687 ( -0.297 -1.129 2.143) 2.440 20.823 ( -0.877 -0.686 6.598) 6.691 21.072 ( -4.382 0.832 -14.795) 15.453 21.518 ( -8.438 3.697 7.478) 11.865 21.673 ( -7.264 2.372 -8.108) 11.141 24.986 ( -1.320 0.935 0.992) 1.898 25.008 ( -0.606 1.235 -1.273) 1.874 30.150 ( 6.770 0.399 1.004) 6.856 30.170 ( 6.798 0.176 -1.136) 6.894 37.241 ( 11.280 0.389 10.266) 15.257 37.467 ( 16.084 2.681 -13.418) 21.117 38.512 ( -1.408 2.104 5.001) 5.605 38.623 ( -2.173 0.544 -6.350) 6.733 39.475 ( -10.795 -12.204 4.501) 16.904 39.573 ( -10.872 -10.699 -5.551) 16.232 40.672 ( 12.393 3.263 2.004) 12.971 40.747 ( 11.716 2.041 -5.762) 13.215 ======================= Grid point 214 (71/80) ======================= q-point: ( 0.43 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 7.839 1.199 5.004) 9.377 1.902 ( 8.957 3.366 -3.881) 10.326 2.220 ( 3.508 -1.465 1.537) 4.100 2.238 ( 2.828 1.692 -0.691) 3.367 2.730 ( 8.809 1.337 5.663) 10.557 2.792 ( 11.995 2.240 -0.755) 12.226 3.195 ( -1.698 3.258 0.863) 3.774 3.219 ( -4.217 -1.646 -0.833) 4.603 3.316 ( -0.859 2.781 4.046) 4.984 3.374 ( -2.696 -1.796 -2.499) 4.091 3.658 ( 11.131 9.364 8.186) 16.691 3.806 ( 12.926 12.160 -6.288) 18.828 4.206 ( 1.089 6.170 6.629) 9.122 4.334 ( -0.047 10.178 -6.583) 12.121 4.731 ( 4.618 -6.853 3.062) 8.813 4.781 ( 9.888 -8.864 -2.175) 13.456 4.968 ( 4.426 -8.314 5.371) 10.842 5.039 ( 2.504 -5.253 -1.864) 6.111 5.262 ( -1.517 -4.853 2.883) 5.845 5.311 ( 0.496 -4.011 -1.768) 4.411 5.584 ( 3.253 -1.489 11.055) 11.619 5.832 ( 3.222 -6.122 -11.156) 13.127 5.944 ( -1.386 5.792 17.739) 18.712 6.282 ( -1.772 7.352 -14.980) 16.780 7.105 ( -1.368 2.894 24.528) 24.736 7.430 ( -0.005 5.320 18.704) 19.446 7.542 ( -2.422 4.230 -18.233) 18.873 7.758 ( -0.348 3.892 -13.598) 14.148 8.054 ( -5.628 -8.324 6.125) 11.768 8.216 ( -4.575 -7.567 -10.571) 13.782 9.016 ( 1.908 5.682 1.576) 6.198 9.033 ( 1.051 6.975 -0.135) 7.055 9.299 ( -7.957 -1.736 3.355) 8.808 9.359 ( -3.785 -2.575 -2.544) 5.237 9.960 ( 3.295 -4.553 13.219) 14.364 10.228 ( 5.323 -4.494 -14.291) 15.898 12.460 ( -3.472 -3.080 1.928) 5.026 12.507 ( -3.326 -1.571 -2.933) 4.705 13.298 ( 2.222 -0.173 0.986) 2.437 13.323 ( 0.531 0.323 -1.530) 1.651 13.690 ( -0.861 2.316 6.256) 6.727 13.827 ( -1.418 2.709 -7.951) 8.518 14.195 ( 0.680 -1.346 1.590) 2.192 14.228 ( 0.605 -1.872 -1.817) 2.678 14.696 ( 1.728 -2.271 9.193) 9.626 14.893 ( 3.587 -0.943 -11.263) 11.858 16.826 ( -3.128 -0.375 2.195) 3.839 16.880 ( -2.686 0.283 -3.408) 4.348 19.063 ( 0.398 0.270 7.794) 7.809 19.192 ( 0.298 0.286 -5.576) 5.591 19.436 ( -0.094 0.786 7.020) 7.065 19.549 ( 0.132 1.103 -4.770) 4.898 20.066 ( 4.041 1.006 6.945) 8.098 20.096 ( -2.511 4.250 3.481) 6.041 20.581 ( -5.135 -2.979 13.777) 15.002 20.702 ( -0.502 -1.587 0.625) 1.778 20.849 ( 1.754 -1.157 3.659) 4.220 21.015 ( -0.067 2.271 -10.075) 10.328 21.397 ( -6.742 -0.124 4.333) 8.015 21.560 ( -6.671 0.700 -10.247) 12.247 24.959 ( -0.328 0.887 1.183) 1.515 24.985 ( 0.495 1.260 -1.506) 2.025 30.200 ( 4.238 1.977 1.289) 4.850 30.225 ( 4.366 1.816 -1.338) 4.914 37.330 ( 7.456 3.304 10.775) 13.513 37.555 ( 9.978 6.260 -12.387) 17.094 38.462 ( -1.220 1.508 5.973) 6.280 38.588 ( -1.711 0.297 -6.969) 7.182 39.581 ( -8.892 -14.798 3.825) 17.683 39.679 ( -8.167 -15.226 -6.356) 18.410 40.726 ( 9.187 6.643 2.511) 11.612 40.826 ( 8.910 4.486 -8.052) 12.820 ======================= Grid point 215 (72/80) ======================= q-point: (-0.43 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 1.722 0.089 6.522) 6.746 1.969 ( 5.602 2.035 -5.224) 7.925 2.214 ( 3.057 2.400 2.575) 4.662 2.265 ( 3.182 2.674 -2.676) 4.943 2.726 ( 10.943 12.054 9.007) 18.606 2.860 ( 11.072 12.867 -3.444) 17.321 3.111 ( -2.068 -3.326 8.218) 9.104 3.234 ( -0.476 -0.786 -2.268) 2.447 3.310 ( 0.608 -3.664 0.446) 3.741 3.355 ( -3.268 0.589 -2.776) 4.329 3.603 ( 2.480 8.383 4.356) 9.767 3.724 ( 3.152 10.981 -7.427) 13.626 4.040 ( -10.238 6.426 3.959) 12.720 4.126 ( -8.282 7.269 -4.801) 12.020 4.833 ( 1.760 -1.602 6.954) 7.349 4.941 ( 2.930 -0.011 -4.112) 5.049 5.053 ( -0.305 0.419 1.821) 1.893 5.078 ( 0.419 3.196 -0.634) 3.285 5.335 ( 0.804 -3.260 3.200) 4.639 5.376 ( 1.743 -1.335 -1.462) 2.638 5.674 ( 2.184 -6.171 18.045) 19.196 5.762 ( -1.405 9.550 19.102) 21.402 6.022 ( 1.724 -9.303 -15.279) 17.971 6.110 ( -2.217 10.530 -14.955) 18.424 7.053 ( -2.382 -0.183 22.671) 22.797 7.397 ( 3.395 2.022 18.991) 19.398 7.461 ( -3.012 0.205 -16.175) 16.454 7.766 ( 5.996 0.936 -16.262) 17.358 8.129 ( -3.995 -6.778 7.238) 10.691 8.286 ( -4.441 -6.478 -8.918) 11.883 8.927 ( -0.268 3.576 0.176) 3.590 8.932 ( -0.301 4.022 -0.242) 4.040 9.299 ( -2.476 -4.860 5.807) 7.967 9.397 ( 0.823 -3.375 -4.206) 5.455 10.043 ( 2.718 -0.769 12.982) 13.286 10.318 ( 3.522 0.100 -15.389) 15.787 12.491 ( -0.555 -3.271 1.374) 3.591 12.526 ( -0.029 -3.057 -2.246) 3.793 13.331 ( 2.473 1.180 0.425) 2.773 13.342 ( 3.854 -0.031 -0.759) 3.928 13.637 ( -3.122 0.770 5.097) 6.026 13.749 ( -5.270 1.215 -6.660) 8.580 14.210 ( 0.093 -0.248 2.183) 2.199 14.254 ( 0.449 -0.671 -2.311) 2.448 14.730 ( 0.612 0.356 9.289) 9.316 14.931 ( 2.617 1.451 -11.563) 11.944 16.808 ( -2.364 -1.709 2.140) 3.618 16.860 ( -1.731 -1.298 -3.221) 3.881 19.061 ( 0.156 0.355 7.771) 7.780 19.189 ( 0.074 0.331 -5.462) 5.472 19.427 ( 0.082 0.235 7.085) 7.089 19.541 ( 0.659 0.338 -4.803) 4.859 19.990 ( -3.802 2.863 9.562) 10.681 20.089 ( 1.634 0.661 -0.652) 1.879 20.632 ( 1.393 -6.154 14.508) 15.821 20.732 ( 0.841 -1.420 1.752) 2.407 20.892 ( 3.203 0.008 2.989) 4.381 21.012 ( 4.106 0.284 -2.895) 5.032 21.341 ( -6.468 -2.370 -0.804) 6.936 21.491 ( -6.799 -2.311 -11.787) 13.802 24.954 ( 0.679 -0.081 1.180) 1.364 24.981 ( 1.253 0.556 -1.629) 2.130 30.185 ( 1.033 3.670 1.447) 4.078 30.213 ( 1.154 3.660 -1.480) 4.113 37.306 ( 1.782 6.221 9.836) 11.774 37.504 ( 2.492 8.834 -10.501) 13.947 38.444 ( -0.154 -0.312 6.855) 6.864 38.584 ( -0.070 -1.137 -7.513) 7.599 39.739 ( -4.227 -14.097 4.586) 15.415 39.851 ( -3.109 -13.928 -7.100) 15.939 40.661 ( 3.572 11.120 3.117) 12.088 40.786 ( 3.071 9.993 -10.212) 14.614 ======================= Grid point 216 (73/80) ======================= q-point: (-0.29 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.122 -1.483 4.743) 4.971 1.932 ( 1.858 7.073 -0.458) 7.327 2.192 ( 1.288 10.271 1.061) 10.405 2.218 ( 2.132 3.625 -1.646) 4.516 2.681 ( 12.026 9.564 3.785) 15.825 2.726 ( 8.994 10.852 0.699) 14.111 3.080 ( -14.392 2.664 4.715) 15.377 3.174 ( -9.364 6.399 -5.114) 12.441 3.311 ( 1.269 3.285 5.373) 6.425 3.408 ( 1.820 -0.005 -4.176) 4.555 3.490 ( 6.650 4.745 4.522) 9.337 3.574 ( 4.956 3.892 -3.982) 7.454 3.821 ( -16.371 -0.044 4.153) 16.890 3.937 ( -12.982 -2.333 -7.238) 15.045 4.824 ( 3.522 7.190 5.326) 9.615 4.848 ( 1.990 11.894 2.292) 12.275 4.953 ( -3.112 9.280 0.449) 9.798 5.004 ( -2.673 4.553 -3.100) 6.123 5.375 ( 1.228 -1.092 2.411) 2.918 5.417 ( 1.813 -1.461 -2.170) 3.183 5.575 ( -1.980 9.423 16.859) 19.415 5.837 ( 1.450 -8.190 18.080) 19.901 5.897 ( -2.399 10.482 -12.278) 16.322 6.197 ( 0.954 -9.550 -15.267) 18.033 7.064 ( -0.845 -3.446 22.359) 22.638 7.422 ( 2.017 -0.501 22.102) 22.199 7.464 ( -1.480 -3.560 -16.925) 17.358 7.840 ( 4.370 -1.713 -18.766) 19.344 8.179 ( -1.050 -3.696 6.584) 7.624 8.317 ( -2.035 -3.157 -7.665) 8.536 8.915 ( 0.814 -0.892 0.612) 1.353 8.928 ( 1.242 -2.175 -0.481) 2.551 9.359 ( -1.818 -5.115 6.408) 8.399 9.469 ( 0.732 -3.928 -4.903) 6.325 10.036 ( 1.270 5.026 11.829) 12.915 10.303 ( 2.539 6.804 -15.918) 17.496 12.544 ( 0.857 -2.756 2.043) 3.536 12.590 ( 1.366 -3.126 -2.693) 4.346 13.336 ( 1.736 1.169 2.271) 3.089 13.384 ( 3.228 0.456 -2.747) 4.263 13.601 ( -2.528 -0.779 3.584) 4.454 13.679 ( -4.909 -0.780 -4.572) 6.753 14.203 ( -0.118 1.370 2.581) 2.924 14.258 ( 0.262 1.099 -2.980) 3.187 14.703 ( -0.152 2.644 9.982) 10.327 14.910 ( 0.956 3.264 -11.513) 12.005 16.827 ( -0.878 -2.973 2.289) 3.854 16.880 ( -0.576 -2.690 -3.154) 4.185 19.056 ( -0.014 0.330 7.795) 7.802 19.184 ( -0.052 0.195 -5.468) 5.472 19.431 ( 0.131 -0.448 7.313) 7.328 19.552 ( 0.603 -0.402 -5.289) 5.339 19.923 ( -2.251 0.732 12.265) 12.492 20.090 ( -0.340 -0.158 -5.432) 5.445 20.733 ( 0.406 0.158 4.948) 4.968 20.784 ( 2.151 -2.452 1.062) 3.430 20.952 ( 8.551 -1.953 12.443) 15.224 21.108 ( 2.740 -6.101 7.037) 9.709 21.312 ( -4.774 -2.130 -5.694) 7.730 21.490 ( -5.347 -8.090 -14.237) 17.226 24.976 ( 0.856 -1.190 0.664) 1.609 24.994 ( 0.967 -0.325 -1.238) 1.604 30.114 ( -0.917 4.535 1.476) 4.857 30.143 ( -0.831 4.623 -1.512) 4.934 37.190 ( -1.521 7.278 8.074) 10.976 37.349 ( -1.826 9.592 -8.280) 12.802 38.463 ( 0.286 -1.706 7.407) 7.607 38.615 ( 0.594 -1.878 -8.232) 8.465 39.937 ( 1.679 -11.839 5.025) 12.970 40.056 ( 3.431 -10.578 -7.269) 13.286 40.447 ( -2.904 15.131 2.609) 15.626 40.565 ( -3.214 16.503 -9.940) 19.531 ======================= Grid point 217 (74/80) ======================= q-point: (-0.14 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 0.000 12.301 9.275) 15.406 1.909 ( 0.000 0.935 -3.545) 3.666 1.947 ( 0.000 17.607 8.004) 19.341 2.114 ( 0.000 8.253 -9.248) 12.395 2.688 ( 0.000 4.219 5.433) 6.879 2.742 ( 0.000 2.823 -0.695) 2.907 2.842 ( -0.000 -1.556 2.944) 3.330 2.955 ( 0.000 3.422 -7.812) 8.528 3.197 ( 0.000 6.651 8.275) 10.617 3.342 ( 0.000 5.391 -6.446) 8.403 3.651 ( -0.000 -5.097 2.610) 5.727 3.668 ( -0.000 -3.060 14.773) 15.087 3.706 ( -0.000 -6.207 -2.810) 6.813 3.923 ( -0.000 -6.373 -11.331) 13.000 4.612 ( 0.000 16.289 5.533) 17.203 4.708 ( 0.000 13.968 -4.627) 14.714 4.740 ( 0.000 9.136 8.071) 12.191 4.860 ( 0.000 9.355 -3.370) 9.944 5.406 ( -0.000 -0.886 2.535) 2.685 5.420 ( 0.000 7.240 12.473) 14.422 5.461 ( -0.000 -1.864 -3.332) 3.818 5.687 ( 0.000 10.781 -13.867) 17.565 5.992 ( -0.000 -7.149 20.873) 22.064 6.343 ( -0.000 -7.157 -15.190) 16.792 7.127 ( -0.000 -3.919 22.605) 22.942 7.469 ( -0.000 -4.688 26.169) 26.586 7.526 ( -0.000 -4.292 -18.817) 19.300 7.934 ( -0.000 -6.995 -21.326) 22.444 8.224 ( -0.000 -1.952 5.926) 6.239 8.349 ( -0.000 -1.429 -6.955) 7.101 8.956 ( -0.000 -3.486 2.614) 4.357 9.001 ( -0.000 -5.226 -1.770) 5.518 9.420 ( -0.000 -3.898 6.760) 7.804 9.536 ( -0.000 -3.589 -5.258) 6.366 9.905 ( 0.000 11.317 9.810) 14.977 10.136 ( 0.000 15.648 -14.412) 21.273 12.594 ( -0.000 -2.306 2.399) 3.328 12.645 ( -0.000 -2.215 -2.886) 3.638 13.342 ( -0.000 -0.745 3.068) 3.157 13.407 ( -0.000 -1.115 -3.663) 3.829 13.601 ( -0.000 -0.956 3.356) 3.489 13.668 ( -0.000 -1.408 -3.649) 3.911 14.154 ( 0.000 4.423 2.744) 5.205 14.214 ( 0.000 4.468 -3.420) 5.627 14.663 ( 0.000 1.693 10.249) 10.388 14.867 ( 0.000 2.253 -10.890) 11.121 16.875 ( -0.000 -3.006 2.218) 3.736 16.925 ( -0.000 -2.855 -2.976) 4.124 19.050 ( 0.000 0.244 7.903) 7.906 19.182 ( 0.000 0.026 -5.671) 5.671 19.442 ( -0.000 -0.688 7.266) 7.299 19.563 ( -0.000 -0.450 -5.408) 5.427 19.909 ( -0.000 -0.535 13.435) 13.445 20.095 ( -0.000 -0.916 -6.360) 6.426 20.709 ( 0.000 2.128 4.071) 4.594 20.775 ( 0.000 2.698 -2.823) 3.905 21.040 ( 0.000 0.836 10.181) 10.216 21.263 ( 0.000 2.099 -12.285) 12.463 21.365 ( -0.000 -19.663 16.619) 25.745 21.639 ( -0.000 -11.865 -12.307) 17.095 25.004 ( -0.000 -1.350 0.259) 1.374 25.014 ( -0.000 -1.456 -0.768) 1.646 30.034 ( 0.000 3.821 1.421) 4.076 30.062 ( 0.000 3.937 -1.451) 4.196 37.065 ( 0.000 5.812 6.238) 8.526 37.185 ( 0.000 7.715 -6.114) 9.844 38.499 ( -0.000 -2.339 7.120) 7.494 38.648 ( -0.000 -1.453 -8.192) 8.320 40.097 ( 0.000 20.905 2.465) 21.050 40.160 ( -0.000 -10.836 5.364) 12.091 40.197 ( 0.000 20.944 -7.700) 22.315 40.287 ( -0.000 -10.478 -7.758) 13.037 ======================= Grid point 220 (75/80) ======================= q-point: ( 0.29 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 9.973 0.000 7.637) 12.561 2.033 ( 9.968 0.000 0.976) 10.015 2.228 ( 15.382 0.000 -1.128) 15.423 2.245 ( 11.648 0.000 -3.660) 12.210 2.639 ( 2.779 0.000 3.437) 4.419 2.677 ( 0.257 0.000 -0.819) 0.858 3.169 ( -4.813 -0.000 5.923) 7.631 3.281 ( -6.831 -0.000 -5.984) 9.081 3.317 ( 2.759 0.000 3.522) 4.474 3.370 ( 0.233 0.000 -2.005) 2.018 4.053 ( 13.592 0.000 18.788) 23.189 4.321 ( 23.104 0.000 -9.355) 24.926 4.342 ( 6.735 0.000 11.381) 13.224 4.457 ( 19.774 0.000 1.829) 19.858 4.472 ( 12.720 0.000 -0.425) 12.728 4.571 ( 4.257 0.000 -10.370) 11.210 4.765 ( 6.222 0.000 3.061) 6.934 4.854 ( 0.070 0.000 -5.514) 5.514 5.135 ( -4.691 -0.000 4.150) 6.263 5.208 ( -0.664 -0.000 -2.383) 2.473 5.585 ( 5.151 0.000 2.555) 5.750 5.693 ( 5.101 0.000 -7.717) 9.250 6.051 ( -1.424 -0.000 20.020) 20.070 6.400 ( -1.518 -0.000 -16.093) 16.165 7.189 ( 1.516 0.000 26.504) 26.547 7.615 ( -0.025 -0.000 -15.426) 15.426 7.616 ( -2.185 -0.000 23.875) 23.975 7.859 ( -9.917 -0.000 -3.716) 10.591 7.877 ( -13.484 -0.000 -3.026) 13.819 8.060 ( -4.203 -0.000 -21.959) 22.357 9.101 ( 0.600 0.000 6.559) 6.587 9.187 ( 3.815 0.000 -2.062) 4.337 9.278 ( -6.578 -0.000 0.119) 6.579 9.284 ( -6.601 -0.000 -1.154) 6.701 9.848 ( 5.166 0.000 14.276) 15.182 10.115 ( 7.532 0.000 -13.093) 15.105 12.387 ( -6.867 -0.000 3.995) 7.945 12.473 ( -6.417 -0.000 -4.907) 8.079 13.301 ( 2.557 0.000 0.898) 2.711 13.327 ( 0.375 0.000 -1.729) 1.770 13.754 ( -1.120 -0.000 6.690) 6.783 13.901 ( -1.782 -0.000 -8.585) 8.768 14.148 ( 2.952 0.000 1.354) 3.248 14.177 ( 2.631 0.000 -1.620) 3.089 14.642 ( 1.898 0.000 10.997) 11.159 14.870 ( 4.642 0.000 -12.846) 13.659 16.820 ( -4.412 -0.000 2.968) 5.317 16.888 ( -3.953 -0.000 -4.169) 5.745 19.068 ( 0.615 0.000 7.780) 7.804 19.198 ( 0.465 0.000 -5.640) 5.659 19.454 ( -0.122 -0.000 7.289) 7.290 19.574 ( 0.121 0.000 -5.286) 5.287 20.095 ( 4.987 0.000 10.181) 11.337 20.201 ( 1.394 0.000 -2.267) 2.662 20.515 ( -9.632 -0.000 16.974) 19.516 20.673 ( -0.555 -0.000 -0.452) 0.716 20.823 ( 1.276 0.000 5.168) 5.323 21.046 ( -0.687 -0.000 -16.280) 16.294 21.408 ( -12.259 -0.000 8.142) 14.717 21.578 ( -10.221 -0.000 -9.028) 13.637 24.980 ( -0.838 -0.000 1.638) 1.840 25.015 ( -0.000 -0.000 -1.944) 1.944 30.241 ( 6.690 0.000 0.995) 6.764 30.262 ( 6.915 0.000 -1.105) 7.003 37.403 ( 12.834 0.000 13.750) 18.808 37.711 ( 16.936 0.000 -18.519) 25.095 38.512 ( -1.981 -0.000 3.354) 3.896 38.596 ( -2.762 -0.000 -5.083) 5.785 39.241 ( -9.376 -0.000 5.730) 10.988 39.353 ( -9.646 -0.000 -5.916) 11.315 40.842 ( 10.730 0.000 1.206) 10.798 40.897 ( 10.118 0.000 -4.445) 11.052 ======================= Grid point 221 (76/80) ======================= q-point: ( 0.43 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 11.829 5.988 6.213) 14.642 2.109 ( 7.448 2.215 -1.051) 7.841 2.296 ( 6.739 5.706 1.434) 8.945 2.335 ( 7.058 6.698 -2.411) 10.024 2.726 ( 3.302 -7.490 6.549) 10.483 2.827 ( 5.912 -9.789 -3.704) 12.021 3.112 ( -6.271 -2.552 4.188) 7.961 3.197 ( -7.406 -1.639 -4.994) 9.082 3.358 ( 3.626 2.056 1.258) 4.354 3.372 ( 2.391 2.448 -0.197) 3.427 4.014 ( 8.142 14.445 17.284) 23.952 4.231 ( 7.644 17.341 -0.606) 18.961 4.365 ( 4.601 8.964 0.133) 10.077 4.515 ( 0.950 10.009 -9.839) 14.067 4.711 ( 4.408 -3.663 5.113) 7.680 4.783 ( 9.765 -5.851 -1.347) 11.463 4.878 ( 2.205 -6.660 1.201) 7.118 4.936 ( 3.958 -9.538 -3.094) 10.780 5.192 ( 6.066 -4.520 5.126) 9.138 5.279 ( 5.365 -3.774 -2.940) 7.188 5.631 ( 3.739 1.072 5.436) 6.684 5.786 ( 3.565 -4.125 -9.834) 11.244 6.006 ( -1.615 3.454 20.051) 20.411 6.353 ( -1.472 3.651 -15.761) 16.245 7.166 ( 0.172 5.122 26.673) 27.161 7.504 ( -1.309 4.246 13.976) 14.666 7.594 ( -3.346 5.167 -9.391) 11.228 7.759 ( -3.708 -4.338 -3.861) 6.890 7.838 ( -4.844 -5.914 -3.741) 8.511 8.039 ( -5.801 -4.794 -16.819) 18.426 9.106 ( 0.566 1.851 5.908) 6.217 9.135 ( -2.582 5.413 1.756) 6.249 9.184 ( -6.999 0.657 1.423) 7.172 9.283 ( 1.161 -2.857 -6.164) 6.892 9.934 ( 3.423 -3.728 15.138) 15.962 10.222 ( 4.453 -3.617 -14.505) 15.598 12.347 ( -4.425 -3.838 3.578) 6.864 12.423 ( -4.210 -2.394 -4.344) 6.506 13.350 ( 5.043 0.439 -0.145) 5.064 13.356 ( 5.211 0.284 -0.716) 5.267 13.697 ( -4.685 1.976 5.927) 7.809 13.823 ( -6.711 2.254 -7.218) 10.111 14.188 ( 1.442 -0.837 1.286) 2.106 14.214 ( 1.335 -1.181 -1.319) 2.218 14.688 ( 2.582 -1.734 11.625) 12.034 14.940 ( 5.332 -0.362 -14.699) 15.640 16.770 ( -4.028 -0.571 3.036) 5.077 16.840 ( -3.628 -0.130 -4.180) 5.537 19.073 ( 0.434 0.264 7.741) 7.758 19.201 ( 0.344 0.258 -5.533) 5.550 19.447 ( -0.134 0.603 7.389) 7.415 19.568 ( 0.169 0.798 -5.309) 5.371 20.122 ( 0.148 2.672 6.437) 6.971 20.164 ( 1.095 4.198 2.540) 5.028 20.467 ( -3.195 -3.724 18.097) 18.751 20.676 ( -0.091 -1.037 -2.461) 2.672 20.852 ( 1.843 -1.473 7.108) 7.490 21.056 ( 2.987 0.713 -12.925) 13.285 21.273 ( -10.277 -1.248 5.402) 11.677 21.453 ( -10.164 -0.493 -11.061) 15.030 24.969 ( -0.122 0.543 2.014) 2.090 25.011 ( 0.664 0.799 -2.353) 2.572 30.294 ( 4.446 2.220 1.269) 5.129 30.318 ( 4.667 2.071 -1.305) 5.270 37.508 ( 9.296 4.569 14.698) 17.982 37.822 ( 11.595 8.231 -17.715) 22.716 38.469 ( -1.955 1.509 4.041) 4.736 38.563 ( -2.378 -0.215 -5.556) 6.047 39.250 ( -7.038 -12.027 4.249) 14.568 39.350 ( -6.952 -11.613 -6.178) 14.878 40.923 ( 7.570 4.046 1.340) 8.687 40.986 ( 7.232 2.451 -5.221) 9.250 ======================= Grid point 222 (77/80) ======================= q-point: ( 0.57 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 6.073 10.906 9.871) 15.914 2.159 ( 8.670 6.125 -4.501) 11.530 2.254 ( -0.050 3.637 0.729) 3.710 2.304 ( 0.958 -0.287 -2.930) 3.096 2.901 ( 4.079 -5.905 11.288) 13.376 3.012 ( 3.534 -3.329 2.323) 5.382 3.135 ( -2.370 -2.860 -3.510) 5.110 3.153 ( -0.480 -2.457 -7.893) 8.280 3.300 ( -0.538 3.602 5.347) 6.470 3.366 ( 1.720 2.465 -2.021) 3.622 3.855 ( 5.381 14.596 11.807) 19.529 4.006 ( 3.083 17.535 2.571) 17.989 4.157 ( -2.728 17.525 -5.299) 18.511 4.259 ( -4.310 17.099 -9.584) 20.070 4.802 ( 1.377 -4.915 6.703) 8.425 4.919 ( 1.413 -5.917 -5.260) 8.043 5.036 ( 2.110 -3.817 3.814) 5.794 5.081 ( 0.759 -4.283 -0.281) 4.359 5.309 ( 3.568 -0.893 5.860) 6.918 5.382 ( 2.861 -1.337 -1.244) 3.394 5.650 ( 1.825 -0.159 10.618) 10.775 5.886 ( 0.311 3.775 10.414) 11.082 5.914 ( -0.245 -2.874 -4.309) 5.185 6.242 ( -1.267 7.768 -15.366) 17.265 7.059 ( -1.578 4.475 23.860) 24.327 7.451 ( -1.324 3.650 -12.289) 12.887 7.492 ( 1.948 2.683 16.620) 16.947 7.842 ( 5.057 -1.435 -14.455) 15.381 7.914 ( -4.761 -10.689 4.977) 12.716 8.083 ( -5.710 -9.053 -10.946) 15.309 8.991 ( -1.750 5.285 1.133) 5.681 9.009 ( -1.815 6.265 -0.692) 6.559 9.194 ( -1.051 -4.487 8.695) 9.840 9.352 ( 1.233 -3.096 -7.545) 8.248 10.035 ( 2.018 -3.807 14.542) 15.167 10.324 ( 2.134 -3.505 -15.363) 15.901 12.398 ( -1.399 -6.076 2.470) 6.707 12.451 ( -1.147 -4.687 -3.075) 5.722 13.397 ( 4.835 1.723 1.304) 5.296 13.427 ( 7.522 1.601 -1.904) 7.922 13.603 ( -5.306 1.062 4.170) 6.832 13.693 ( -8.042 1.582 -5.300) 9.761 14.207 ( 0.299 -0.345 1.919) 1.973 14.244 ( 0.459 -1.144 -1.862) 2.233 14.737 ( 1.203 -0.899 11.397) 11.495 14.987 ( 2.762 1.015 -14.717) 15.008 16.748 ( -2.268 -1.605 2.971) 4.068 16.815 ( -1.874 -1.126 -3.931) 4.498 19.070 ( 0.175 0.479 7.733) 7.749 19.197 ( 0.123 0.488 -5.430) 5.453 19.435 ( -0.005 0.630 7.468) 7.494 19.558 ( 0.348 0.748 -5.330) 5.394 20.017 ( -2.300 4.993 10.250) 11.631 20.137 ( 1.190 2.821 -2.586) 4.008 20.530 ( -0.025 -6.140 18.036) 19.052 20.710 ( 0.742 -2.274 -1.300) 2.722 20.923 ( 4.122 -2.653 9.593) 10.773 21.071 ( 1.259 1.881 0.720) 2.375 21.220 ( -3.168 -3.157 -8.411) 9.526 21.356 ( -9.073 -1.926 -13.157) 16.098 24.963 ( 0.306 0.295 2.077) 2.120 25.007 ( 0.806 0.805 -2.531) 2.775 30.274 ( 1.645 4.512 1.490) 5.028 30.303 ( 1.750 4.425 -1.504) 4.990 37.470 ( 3.311 8.869 13.018) 16.096 37.735 ( 4.076 12.988 -14.155) 19.638 38.438 ( -0.570 0.211 5.612) 5.645 38.557 ( -0.681 -1.413 -6.566) 6.751 39.424 ( -3.557 -16.388 4.220) 17.293 39.535 ( -3.237 -17.391 -7.471) 19.203 40.884 ( 3.418 9.101 2.260) 9.981 40.975 ( 3.177 7.027 -7.409) 10.694 ======================= Grid point 223 (78/80) ======================= q-point: (-0.29 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 0.000 5.012 10.108) 11.282 2.060 ( 0.000 8.516 -6.986) 11.014 2.257 ( -0.000 -0.435 2.879) 2.912 2.309 ( 0.000 1.993 -2.603) 3.279 2.987 ( 0.000 7.295 2.663) 7.766 2.993 ( -0.000 -0.112 12.093) 12.094 3.002 ( 0.000 13.200 2.860) 13.506 3.220 ( 0.000 1.656 -11.059) 11.182 3.339 ( -0.000 -4.537 1.770) 4.870 3.371 ( -0.000 -2.847 -0.608) 2.911 3.694 ( 0.000 9.465 4.564) 10.508 3.742 ( 0.000 12.364 8.109) 14.786 3.813 ( 0.000 18.560 -7.374) 19.971 3.927 ( 0.000 14.322 -10.446) 17.727 4.880 ( -0.000 -1.927 7.475) 7.720 5.004 ( -0.000 -2.125 -5.216) 5.632 5.019 ( 0.000 5.560 3.635) 6.643 5.078 ( 0.000 5.867 -2.420) 6.346 5.349 ( -0.000 -2.395 5.294) 5.811 5.406 ( -0.000 -0.674 -1.123) 1.309 5.709 ( -0.000 -6.098 17.461) 18.496 5.732 ( 0.000 10.410 19.777) 22.350 6.046 ( -0.000 -9.174 -15.953) 18.403 6.076 ( 0.000 11.109 -15.360) 18.957 7.018 ( -0.000 -0.641 22.414) 22.423 7.412 ( -0.000 -0.567 -18.112) 18.121 7.466 ( 0.000 2.764 23.455) 23.617 7.876 ( 0.000 1.166 -18.844) 18.880 8.057 ( -0.000 -9.188 6.696) 11.369 8.195 ( -0.000 -8.418 -7.484) 11.264 8.928 ( 0.000 1.698 0.258) 1.717 8.933 ( 0.000 1.937 -0.089) 1.939 9.264 ( -0.000 -4.916 7.918) 9.320 9.411 ( -0.000 -3.433 -7.239) 8.011 10.085 ( -0.000 -0.253 13.624) 13.626 10.372 ( -0.000 -0.043 -16.190) 16.190 12.485 ( -0.000 -4.880 2.032) 5.286 12.529 ( -0.000 -4.915 -2.555) 5.539 13.385 ( 0.000 2.954 2.615) 3.946 13.443 ( 0.000 2.842 -3.498) 4.507 13.568 ( -0.000 -0.814 2.831) 2.946 13.628 ( -0.000 -0.656 -3.467) 3.529 14.212 ( -0.000 -0.068 2.481) 2.482 14.262 ( -0.000 -0.613 -2.587) 2.659 14.739 ( 0.000 1.414 10.746) 10.839 14.971 ( 0.000 2.824 -13.346) 13.641 16.771 ( -0.000 -2.736 2.780) 3.901 16.832 ( -0.000 -2.265 -3.601) 4.255 19.063 ( 0.000 0.496 7.734) 7.750 19.190 ( 0.000 0.462 -5.365) 5.385 19.429 ( 0.000 0.129 7.518) 7.519 19.553 ( 0.000 0.135 -5.496) 5.498 19.937 ( 0.000 2.829 12.021) 12.349 20.102 ( 0.000 1.787 -5.679) 5.953 20.664 ( -0.000 -8.981 14.263) 16.855 20.750 ( -0.000 -1.796 1.651) 2.440 21.019 ( -0.000 -2.645 13.333) 13.593 21.023 ( 0.000 1.202 8.563) 8.647 21.292 ( -0.000 -0.917 -14.055) 14.085 21.310 ( -0.000 -6.032 -17.066) 18.100 24.967 ( -0.000 -0.478 1.557) 1.629 25.002 ( 0.000 0.455 -2.155) 2.202 30.197 ( 0.000 5.562 1.550) 5.774 30.227 ( 0.000 5.570 -1.574) 5.788 37.329 ( 0.000 9.717 10.402) 14.235 37.535 ( 0.000 13.113 -10.816) 16.998 38.442 ( -0.000 -0.912 6.934) 6.994 38.585 ( -0.000 -2.070 -7.702) 7.975 39.683 ( -0.000 -17.090 5.051) 17.821 39.810 ( -0.000 -17.638 -8.271) 19.481 40.707 ( 0.000 14.682 3.016) 14.989 40.824 ( 0.000 13.725 -9.372) 16.620 ======================= Grid point 228 (79/80) ======================= q-point: ( 0.43 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 2.167 0.000 4.039) 4.583 2.200 ( 8.822 0.000 0.630) 8.844 2.452 ( -0.878 -0.000 6.424) 6.484 2.556 ( 9.612 0.000 -1.368) 9.709 2.696 ( 2.304 0.000 1.011) 2.516 2.755 ( 9.389 0.000 -3.438) 9.999 3.001 ( -6.850 -0.000 3.351) 7.626 3.057 ( -9.984 -0.000 -2.946) 10.410 3.425 ( 1.988 0.000 0.523) 2.056 3.438 ( 4.156 0.000 -0.942) 4.261 4.199 ( 2.014 0.000 23.063) 23.151 4.396 ( -0.343 -0.000 10.401) 10.407 4.527 ( 3.227 0.000 -10.310) 10.804 4.617 ( 0.320 0.000 -11.570) 11.574 4.695 ( -0.876 -0.000 1.896) 2.089 4.759 ( -3.005 -0.000 -3.835) 4.873 4.876 ( 2.259 0.000 2.518) 3.383 4.922 ( 9.130 0.000 -1.185) 9.206 5.296 ( 12.300 0.000 1.429) 12.383 5.333 ( 7.627 0.000 -1.993) 7.883 5.684 ( 2.414 0.000 3.166) 3.981 5.786 ( 2.156 0.000 -6.844) 7.175 6.018 ( -1.089 -0.000 20.315) 20.344 6.368 ( -0.860 -0.000 -16.094) 16.117 7.242 ( 1.916 0.000 29.199) 29.262 7.526 ( -5.022 -0.000 0.821) 5.089 7.552 ( -2.203 -0.000 20.079) 20.200 7.623 ( -6.168 -0.000 -2.370) 6.608 7.797 ( 3.544 0.000 -21.163) 21.458 7.936 ( -5.600 -0.000 -20.082) 20.849 9.104 ( 0.177 0.000 10.532) 10.534 9.132 ( -3.292 -0.000 1.208) 3.506 9.154 ( -3.433 -0.000 -0.023) 3.433 9.291 ( 2.205 0.000 -8.196) 8.487 9.930 ( 1.685 0.000 15.933) 16.021 10.229 ( 2.062 0.000 -14.764) 14.908 12.264 ( -2.718 -0.000 4.357) 5.135 12.355 ( -2.668 -0.000 -5.017) 5.683 13.426 ( 7.127 0.000 1.291) 7.242 13.458 ( 9.644 0.000 -2.106) 9.871 13.635 ( -7.694 -0.000 4.689) 9.010 13.734 ( -10.317 -0.000 -5.662) 11.769 14.199 ( 1.055 0.000 1.045) 1.485 14.219 ( 0.857 0.000 -1.033) 1.342 14.703 ( 2.047 0.000 13.380) 13.536 14.996 ( 3.777 0.000 -17.270) 17.678 16.723 ( -2.618 -0.000 3.431) 4.315 16.799 ( -2.460 -0.000 -4.478) 5.109 19.079 ( 0.251 0.000 7.715) 7.719 19.207 ( 0.215 0.000 -5.487) 5.491 19.451 ( -0.123 -0.000 7.598) 7.599 19.576 ( 0.045 0.000 -5.571) 5.571 20.150 ( -0.583 -0.000 7.026) 7.050 20.208 ( -0.346 -0.000 -0.502) 0.610 20.421 ( 1.274 0.000 21.313) 21.351 20.668 ( 0.188 0.000 -4.274) 4.279 20.846 ( 0.199 0.000 13.006) 13.007 21.116 ( 5.984 0.000 -14.984) 16.135 21.149 ( -6.959 -0.000 4.269) 8.164 21.321 ( -10.109 -0.000 -12.279) 15.905 24.973 ( 0.014 0.000 2.493) 2.493 25.024 ( 0.435 0.000 -2.833) 2.866 30.358 ( 2.549 0.000 1.346) 2.883 30.384 ( 2.709 0.000 -1.351) 3.027 37.653 ( 6.239 0.000 17.442) 18.524 38.028 ( 7.849 0.000 -21.244) 22.647 38.456 ( -2.090 -0.000 2.850) 3.534 38.532 ( -1.911 -0.000 -4.649) 5.027 39.072 ( -3.865 -0.000 5.124) 6.418 39.180 ( -3.994 -0.000 -6.234) 7.404 41.029 ( 4.103 0.000 0.677) 4.159 41.075 ( 3.934 0.000 -4.064) 5.656 ======================= Grid point 229 (80/80) ======================= q-point: (-0.43 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -0.000 -2.030 5.213) 5.594 2.277 ( 0.000 14.195 11.161) 18.057 2.281 ( -0.000 -1.594 -4.102) 4.401 2.467 ( 0.000 13.839 -8.237) 16.104 2.801 ( -0.000 -8.001 10.518) 13.215 2.975 ( -0.000 -3.204 3.180) 4.515 2.988 ( -0.000 -11.105 -9.281) 14.472 3.021 ( -0.000 -5.935 -1.360) 6.089 3.396 ( 0.000 4.984 2.475) 5.564 3.438 ( 0.000 3.123 -2.234) 3.840 4.108 ( 0.000 11.201 20.242) 23.134 4.285 ( 0.000 12.477 10.312) 16.186 4.431 ( 0.000 13.575 -13.056) 18.834 4.500 ( 0.000 12.847 -11.762) 17.418 4.721 ( -0.000 -4.293 4.136) 5.962 4.807 ( -0.000 -6.782 -4.720) 8.263 4.954 ( -0.000 -7.101 5.600) 9.044 5.020 ( -0.000 -3.844 -0.464) 3.872 5.364 ( 0.000 1.706 1.413) 2.215 5.391 ( -0.000 -0.555 -0.692) 0.887 5.680 ( 0.000 1.682 5.490) 5.742 5.832 ( -0.000 -3.642 -9.776) 10.433 5.978 ( 0.000 3.863 20.478) 20.839 6.330 ( 0.000 3.958 -15.983) 16.465 7.159 ( 0.000 8.052 25.979) 27.198 7.505 ( 0.000 2.855 -9.042) 9.482 7.533 ( 0.000 0.752 19.751) 19.766 7.668 ( -0.000 -11.264 5.313) 12.454 7.887 ( -0.000 -0.322 -17.140) 17.143 7.895 ( -0.000 -6.789 -17.706) 18.963 9.063 ( 0.000 4.935 1.583) 5.183 9.088 ( 0.000 4.711 -1.046) 4.826 9.131 ( -0.000 -2.660 11.016) 11.333 9.321 ( -0.000 -1.841 -8.766) 8.957 9.978 ( -0.000 -3.977 15.533) 16.034 10.273 ( -0.000 -3.553 -14.977) 15.392 12.291 ( -0.000 -4.879 3.804) 6.187 12.370 ( -0.000 -3.565 -4.388) 5.654 13.484 ( 0.000 2.185 2.730) 3.497 13.542 ( 0.000 2.259 -3.232) 3.943 13.554 ( -0.000 -0.095 3.133) 3.134 13.625 ( 0.000 0.162 -4.249) 4.252 14.206 ( -0.000 -0.079 1.289) 1.291 14.231 ( -0.000 -0.770 -1.218) 1.441 14.728 ( -0.000 -1.166 13.167) 13.219 15.018 ( 0.000 0.355 -17.181) 17.184 16.713 ( -0.000 -0.821 3.405) 3.503 16.788 ( -0.000 -0.560 -4.362) 4.398 19.078 ( 0.000 0.321 7.719) 7.725 19.205 ( 0.000 0.324 -5.454) 5.464 19.445 ( 0.000 0.526 7.629) 7.647 19.571 ( 0.000 0.601 -5.563) 5.596 20.091 ( 0.000 5.226 9.303) 10.670 20.190 ( 0.000 2.135 -2.208) 3.071 20.456 ( -0.000 -2.840 19.737) 19.941 20.682 ( -0.000 -1.497 -3.771) 4.057 20.884 ( -0.000 -4.089 16.426) 16.928 21.093 ( 0.000 1.448 2.065) 2.522 21.217 ( -0.000 -2.484 -16.644) 16.828 21.223 ( -0.000 -0.703 -11.400) 11.421 24.970 ( 0.000 0.329 2.548) 2.569 25.023 ( 0.000 0.497 -2.929) 2.970 30.349 ( 0.000 2.878 1.450) 3.222 30.377 ( 0.000 2.780 -1.447) 3.134 37.632 ( 0.000 6.829 16.408) 17.772 37.974 ( 0.000 11.153 -18.764) 21.829 38.438 ( 0.000 0.348 3.972) 3.987 38.529 ( -0.000 -1.111 -5.277) 5.393 39.160 ( -0.000 -12.125 4.037) 12.780 39.261 ( -0.000 -12.152 -6.600) 13.829 41.018 ( 0.000 4.470 1.116) 4.607 41.076 ( 0.000 2.896 -5.002) 5.780 =================== 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 3/31752 10.0 347.655 586.194 527.608 0.000 0.000 0.000 3/31752 20.0 114.159 149.029 159.007 0.000 0.000 0.000 3/31752 30.0 50.085 65.458 71.102 0.000 0.000 0.000 3/31752 40.0 29.660 38.766 41.756 0.000 0.000 0.000 3/31752 50.0 20.799 27.046 28.740 0.000 0.000 0.000 3/31752 60.0 16.013 20.734 21.846 0.000 0.000 0.000 3/31752 70.0 13.027 16.829 17.690 0.000 0.000 0.000 3/31752 80.0 10.984 14.176 14.929 0.000 0.000 0.000 3/31752 90.0 9.497 12.254 12.957 0.000 0.000 0.000 3/31752 100.0 8.366 10.795 11.473 0.000 0.000 0.000 3/31752 110.0 7.478 9.650 10.311 0.000 0.000 0.000 3/31752 120.0 6.763 8.726 9.375 0.000 0.000 0.000 3/31752 130.0 6.175 7.967 8.604 0.000 0.000 0.000 3/31752 140.0 5.684 7.330 7.957 0.000 0.000 0.000 3/31752 150.0 5.268 6.790 7.407 0.000 0.000 0.000 3/31752 160.0 4.911 6.325 6.933 0.000 0.000 0.000 3/31752 170.0 4.601 5.922 6.522 0.000 0.000 0.000 3/31752 180.0 4.330 5.568 6.160 0.000 0.000 0.000 3/31752 190.0 4.090 5.255 5.840 0.000 0.000 0.000 3/31752 200.0 3.877 4.976 5.555 0.000 0.000 0.000 3/31752 210.0 3.686 4.727 5.299 0.000 0.000 0.000 3/31752 220.0 3.514 4.502 5.068 0.000 0.000 0.000 3/31752 230.0 3.358 4.298 4.858 0.000 0.000 0.000 3/31752 240.0 3.217 4.113 4.667 0.000 0.000 0.000 3/31752 250.0 3.087 3.943 4.491 0.000 0.000 0.000 3/31752 260.0 2.968 3.788 4.330 0.000 0.000 0.000 3/31752 270.0 2.858 3.644 4.181 0.000 0.000 0.000 3/31752 280.0 2.756 3.512 4.042 0.000 0.000 0.000 3/31752 290.0 2.662 3.389 3.913 0.000 0.000 0.000 3/31752 300.0 2.574 3.275 3.793 0.000 0.000 0.000 3/31752 310.0 2.492 3.169 3.680 0.000 0.000 0.000 3/31752 320.0 2.416 3.070 3.575 0.000 0.000 0.000 3/31752 330.0 2.344 2.977 3.476 0.000 0.000 0.000 3/31752 340.0 2.277 2.889 3.382 0.000 0.000 0.000 3/31752 350.0 2.213 2.807 3.294 0.000 0.000 0.000 3/31752 360.0 2.154 2.730 3.210 0.000 0.000 0.000 3/31752 370.0 2.097 2.657 3.131 0.000 0.000 0.000 3/31752 380.0 2.044 2.588 3.056 0.000 0.000 0.000 3/31752 390.0 1.993 2.523 2.984 0.000 0.000 0.000 3/31752 400.0 1.945 2.461 2.916 0.000 0.000 0.000 3/31752 410.0 1.899 2.402 2.852 0.000 0.000 0.000 3/31752 420.0 1.856 2.347 2.790 0.000 0.000 0.000 3/31752 430.0 1.814 2.293 2.731 0.000 0.000 0.000 3/31752 440.0 1.775 2.243 2.674 0.000 0.000 0.000 3/31752 450.0 1.737 2.194 2.620 0.000 0.000 0.000 3/31752 460.0 1.701 2.148 2.568 0.000 0.000 0.000 3/31752 470.0 1.666 2.104 2.518 0.000 0.000 0.000 3/31752 480.0 1.633 2.061 2.470 0.000 0.000 0.000 3/31752 490.0 1.601 2.021 2.424 0.000 0.000 0.000 3/31752 500.0 1.570 1.982 2.380 0.000 0.000 0.000 3/31752 510.0 1.541 1.944 2.338 0.000 0.000 0.000 3/31752 520.0 1.513 1.908 2.296 0.000 0.000 0.000 3/31752 530.0 1.486 1.874 2.257 0.000 0.000 0.000 3/31752 540.0 1.459 1.841 2.219 0.000 0.000 0.000 3/31752 550.0 1.434 1.809 2.182 0.000 0.000 0.000 3/31752 560.0 1.410 1.778 2.146 0.000 0.000 0.000 3/31752 570.0 1.386 1.748 2.112 0.000 0.000 0.000 3/31752 580.0 1.364 1.719 2.078 0.000 0.000 0.000 3/31752 590.0 1.342 1.691 2.046 0.000 0.000 0.000 3/31752 600.0 1.320 1.664 2.015 0.000 0.000 0.000 3/31752 610.0 1.300 1.638 1.984 0.000 0.000 0.000 3/31752 620.0 1.280 1.613 1.955 0.000 0.000 0.000 3/31752 630.0 1.261 1.589 1.926 0.000 0.000 0.000 3/31752 640.0 1.242 1.565 1.899 0.000 0.000 0.000 3/31752 650.0 1.224 1.542 1.872 0.000 0.000 0.000 3/31752 660.0 1.206 1.520 1.846 0.000 0.000 0.000 3/31752 670.0 1.189 1.498 1.820 0.000 0.000 0.000 3/31752 680.0 1.173 1.477 1.796 0.000 0.000 0.000 3/31752 690.0 1.156 1.457 1.772 0.000 0.000 0.000 3/31752 700.0 1.141 1.437 1.748 0.000 0.000 0.000 3/31752 710.0 1.126 1.418 1.726 0.000 0.000 0.000 3/31752 720.0 1.111 1.399 1.703 0.000 0.000 0.000 3/31752 730.0 1.096 1.381 1.682 0.000 0.000 0.000 3/31752 740.0 1.082 1.364 1.661 0.000 0.000 0.000 3/31752 750.0 1.069 1.346 1.640 0.000 0.000 0.000 3/31752 760.0 1.055 1.330 1.620 0.000 0.000 0.000 3/31752 770.0 1.042 1.313 1.601 0.000 0.000 0.000 3/31752 780.0 1.030 1.297 1.582 0.000 0.000 0.000 3/31752 790.0 1.017 1.282 1.563 0.000 0.000 0.000 3/31752 800.0 1.005 1.266 1.545 0.000 0.000 0.000 3/31752 810.0 0.993 1.252 1.527 0.000 0.000 0.000 3/31752 820.0 0.982 1.237 1.510 0.000 0.000 0.000 3/31752 830.0 0.971 1.223 1.493 0.000 0.000 0.000 3/31752 840.0 0.960 1.209 1.477 0.000 0.000 0.000 3/31752 850.0 0.949 1.196 1.461 0.000 0.000 0.000 3/31752 860.0 0.939 1.183 1.445 0.000 0.000 0.000 3/31752 870.0 0.928 1.170 1.429 0.000 0.000 0.000 3/31752 880.0 0.918 1.157 1.414 0.000 0.000 0.000 3/31752 890.0 0.909 1.145 1.399 0.000 0.000 0.000 3/31752 900.0 0.899 1.133 1.385 0.000 0.000 0.000 3/31752 910.0 0.890 1.121 1.371 0.000 0.000 0.000 3/31752 920.0 0.880 1.110 1.357 0.000 0.000 0.000 3/31752 930.0 0.871 1.098 1.343 0.000 0.000 0.000 3/31752 940.0 0.863 1.087 1.330 0.000 0.000 0.000 3/31752 950.0 0.854 1.076 1.317 0.000 0.000 0.000 3/31752 960.0 0.846 1.066 1.304 0.000 0.000 0.000 3/31752 970.0 0.837 1.055 1.291 0.000 0.000 0.000 3/31752 980.0 0.829 1.045 1.279 0.000 0.000 0.000 3/31752 990.0 0.821 1.035 1.267 0.000 0.000 0.000 3/31752 1000.0 0.813 1.025 1.255 0.000 0.000 0.000 3/31752 Thermal conductivity related properties were written into "kappa-m779.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:36:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|