----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:16:19]------------------------- 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: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.723780770998903 0.000000000000000 0.000000000000000 b 0.000000000000000 8.140555190000002 0.000000000000000 c -3.495221830503774 0.000000000000000 7.831260242885874 Atomic positions (fractional): *1 La 0.38481079611520 0.30553762374674 0.27484397332371 138.905 2 La 0.38481079611520 0.19446237625326 0.77484397332371 138.905 3 La 0.61518920388480 0.80553762374674 0.22515602667629 138.905 4 La 0.61518920388480 0.69446237625326 0.72515602667629 138.905 *5 S 0.77735756661483 0.08266966228249 0.56519608688351 32.065 6 S 0.77735756661483 0.41733033771751 0.06519608688351 32.065 7 S 0.22264243338517 0.58266966228249 0.93480391311649 32.065 8 S 0.22264243338517 0.91733033771751 0.43480391311649 32.065 *9 Cl 0.72977183371414 0.96377605921132 0.96974811204721 35.453 10 Cl 0.72977183371414 0.53622394078868 0.46974811204721 35.453 11 Cl 0.27022816628586 0.03622394078868 0.03025188795279 35.453 12 Cl 0.27022816628586 0.46377605921132 0.53025188795279 35.453 *13 O 0.00478491924044 0.65431430828512 0.87147865391020 15.999 *14 O 0.32322573853585 0.91615398084607 0.62807915301603 15.999 *15 O 0.21463261686458 0.08922964811933 0.37883110067206 15.999 16 O 0.00478491924044 0.84568569171488 0.37147865391020 15.999 *17 O 0.37104796814473 0.81436144285471 0.38611554022441 15.999 18 O 0.62895203185527 0.18563855714529 0.61388445977559 15.999 19 O 0.21463261686458 0.41077035188067 0.87883110067206 15.999 20 O 0.99521508075956 0.34568569171488 0.12852134608980 15.999 21 O 0.67677426146415 0.41615398084607 0.87192084698397 15.999 22 O 0.62895203185527 0.31436144285471 0.11388445977559 15.999 23 O 0.32322573853585 0.58384601915393 0.12807915301603 15.999 24 O 0.99521508075956 0.15431430828512 0.62852134608980 15.999 25 O 0.78536738313542 0.91077035188067 0.62116889932794 15.999 26 O 0.37104796814473 0.68563855714529 0.88611554022441 15.999 27 O 0.67677426146415 0.08384601915393 0.37192084698397 15.999 28 O 0.78536738313542 0.58922964811933 0.12116889932794 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.723780770998903 0.000000000000000 0.000000000000000 b 0.000000000000000 8.140555190000002 0.000000000000000 c -3.495221830503774 0.000000000000000 7.831260242885874 Atomic positions (fractional): *1 La 0.38481079611520 0.30553762374674 0.27484397332371 138.905 > 1 2 La 0.38481079611520 0.19446237625326 0.77484397332371 138.905 > 2 3 La 0.61518920388480 0.80553762374674 0.22515602667629 138.905 > 3 4 La 0.61518920388480 0.69446237625326 0.72515602667629 138.905 > 4 *5 S 0.77735756661483 0.08266966228249 0.56519608688351 32.065 > 5 6 S 0.77735756661483 0.41733033771751 0.06519608688351 32.065 > 6 7 S 0.22264243338517 0.58266966228249 0.93480391311649 32.065 > 7 8 S 0.22264243338517 0.91733033771751 0.43480391311649 32.065 > 8 *9 Cl 0.72977183371414 0.96377605921132 0.96974811204721 35.453 > 9 10 Cl 0.72977183371414 0.53622394078868 0.46974811204721 35.453 > 10 11 Cl 0.27022816628586 0.03622394078868 0.03025188795279 35.453 > 11 12 Cl 0.27022816628586 0.46377605921132 0.53025188795279 35.453 > 12 *13 O 0.00478491924044 0.65431430828512 0.87147865391020 15.999 > 13 *14 O 0.32322573853585 0.91615398084607 0.62807915301603 15.999 > 14 *15 O 0.21463261686458 0.08922964811933 0.37883110067206 15.999 > 15 16 O 0.00478491924044 0.84568569171488 0.37147865391020 15.999 > 16 *17 O 0.37104796814473 0.81436144285471 0.38611554022441 15.999 > 17 18 O 0.62895203185527 0.18563855714529 0.61388445977559 15.999 > 18 19 O 0.21463261686458 0.41077035188067 0.87883110067206 15.999 > 19 20 O 0.99521508075956 0.34568569171488 0.12852134608980 15.999 > 20 21 O 0.67677426146415 0.41615398084607 0.87192084698397 15.999 > 21 22 O 0.62895203185527 0.31436144285471 0.11388445977559 15.999 > 22 23 O 0.32322573853585 0.58384601915393 0.12807915301603 15.999 > 23 24 O 0.99521508075956 0.15431430828512 0.62852134608980 15.999 > 24 25 O 0.78536738313542 0.91077035188067 0.62116889932794 15.999 > 25 26 O 0.37104796814473 0.68563855714529 0.88611554022441 15.999 > 26 27 O 0.67677426146415 0.08384601915393 0.37192084698397 15.999 > 27 28 O 0.78536738313542 0.58922964811933 0.12116889932794 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.447561541997805 0.000000000000000 0.000000000000000 b 0.000000000000000 16.281110380000005 0.000000000000000 c -3.495221830503774 0.000000000000000 7.831260242885874 Atomic positions (fractional): *1 La 0.19240539805760 0.15276881187337 0.27484397332371 138.905 > 1 2 La 0.69240539805760 0.15276881187337 0.27484397332371 138.905 > 1 3 La 0.19240539805760 0.65276881187337 0.27484397332371 138.905 > 1 4 La 0.69240539805760 0.65276881187337 0.27484397332371 138.905 > 1 5 La 0.19240539805760 0.09723118812663 0.77484397332371 138.905 > 2 6 La 0.69240539805760 0.09723118812663 0.77484397332371 138.905 > 2 7 La 0.19240539805760 0.59723118812663 0.77484397332371 138.905 > 2 8 La 0.69240539805760 0.59723118812663 0.77484397332371 138.905 > 2 9 La 0.30759460194240 0.40276881187337 0.22515602667629 138.905 > 3 10 La 0.80759460194240 0.40276881187337 0.22515602667629 138.905 > 3 11 La 0.30759460194240 0.90276881187337 0.22515602667629 138.905 > 3 12 La 0.80759460194240 0.90276881187337 0.22515602667629 138.905 > 3 13 La 0.30759460194240 0.34723118812663 0.72515602667629 138.905 > 4 14 La 0.80759460194240 0.34723118812663 0.72515602667629 138.905 > 4 15 La 0.30759460194240 0.84723118812663 0.72515602667629 138.905 > 4 16 La 0.80759460194240 0.84723118812663 0.72515602667629 138.905 > 4 *17 S 0.38867878330741 0.04133483114125 0.56519608688351 32.065 > 5 18 S 0.88867878330741 0.04133483114125 0.56519608688351 32.065 > 5 19 S 0.38867878330741 0.54133483114125 0.56519608688351 32.065 > 5 20 S 0.88867878330741 0.54133483114125 0.56519608688351 32.065 > 5 21 S 0.38867878330741 0.20866516885875 0.06519608688351 32.065 > 6 22 S 0.88867878330741 0.20866516885875 0.06519608688351 32.065 > 6 23 S 0.38867878330741 0.70866516885875 0.06519608688351 32.065 > 6 24 S 0.88867878330741 0.70866516885875 0.06519608688351 32.065 > 6 25 S 0.11132121669259 0.29133483114125 0.93480391311649 32.065 > 7 26 S 0.61132121669259 0.29133483114125 0.93480391311649 32.065 > 7 27 S 0.11132121669259 0.79133483114125 0.93480391311649 32.065 > 7 28 S 0.61132121669259 0.79133483114125 0.93480391311649 32.065 > 7 29 S 0.11132121669259 0.45866516885875 0.43480391311649 32.065 > 8 30 S 0.61132121669259 0.45866516885875 0.43480391311649 32.065 > 8 31 S 0.11132121669259 0.95866516885875 0.43480391311649 32.065 > 8 32 S 0.61132121669259 0.95866516885875 0.43480391311649 32.065 > 8 *33 Cl 0.36488591685707 0.48188802960566 0.96974811204721 35.453 > 9 34 Cl 0.86488591685707 0.48188802960566 0.96974811204721 35.453 > 9 35 Cl 0.36488591685707 0.98188802960566 0.96974811204721 35.453 > 9 36 Cl 0.86488591685707 0.98188802960566 0.96974811204721 35.453 > 9 37 Cl 0.36488591685707 0.26811197039434 0.46974811204721 35.453 > 10 38 Cl 0.86488591685707 0.26811197039434 0.46974811204721 35.453 > 10 39 Cl 0.36488591685707 0.76811197039434 0.46974811204721 35.453 > 10 40 Cl 0.86488591685707 0.76811197039434 0.46974811204721 35.453 > 10 41 Cl 0.13511408314293 0.01811197039434 0.03025188795279 35.453 > 11 42 Cl 0.63511408314293 0.01811197039434 0.03025188795279 35.453 > 11 43 Cl 0.13511408314293 0.51811197039434 0.03025188795279 35.453 > 11 44 Cl 0.63511408314293 0.51811197039434 0.03025188795279 35.453 > 11 45 Cl 0.13511408314293 0.23188802960566 0.53025188795279 35.453 > 12 46 Cl 0.63511408314293 0.23188802960566 0.53025188795279 35.453 > 12 47 Cl 0.13511408314293 0.73188802960566 0.53025188795279 35.453 > 12 48 Cl 0.63511408314293 0.73188802960566 0.53025188795279 35.453 > 12 *49 O 0.00239245962022 0.32715715414256 0.87147865391020 15.999 > 13 50 O 0.50239245962022 0.32715715414256 0.87147865391020 15.999 > 13 51 O 0.00239245962022 0.82715715414256 0.87147865391020 15.999 > 13 52 O 0.50239245962022 0.82715715414256 0.87147865391020 15.999 > 13 *53 O 0.16161286926792 0.45807699042303 0.62807915301603 15.999 > 14 54 O 0.66161286926792 0.45807699042303 0.62807915301603 15.999 > 14 55 O 0.16161286926792 0.95807699042303 0.62807915301603 15.999 > 14 56 O 0.66161286926792 0.95807699042303 0.62807915301603 15.999 > 14 *57 O 0.10731630843229 0.04461482405966 0.37883110067206 15.999 > 15 58 O 0.60731630843229 0.04461482405966 0.37883110067206 15.999 > 15 59 O 0.10731630843229 0.54461482405966 0.37883110067206 15.999 > 15 60 O 0.60731630843229 0.54461482405966 0.37883110067206 15.999 > 15 61 O 0.00239245962022 0.42284284585744 0.37147865391020 15.999 > 16 62 O 0.50239245962022 0.42284284585744 0.37147865391020 15.999 > 16 63 O 0.00239245962022 0.92284284585744 0.37147865391020 15.999 > 16 64 O 0.50239245962022 0.92284284585744 0.37147865391020 15.999 > 16 *65 O 0.18552398407236 0.40718072142735 0.38611554022441 15.999 > 17 66 O 0.68552398407236 0.40718072142735 0.38611554022441 15.999 > 17 67 O 0.18552398407236 0.90718072142735 0.38611554022441 15.999 > 17 68 O 0.68552398407236 0.90718072142735 0.38611554022441 15.999 > 17 69 O 0.31447601592764 0.09281927857265 0.61388445977559 15.999 > 18 70 O 0.81447601592764 0.09281927857265 0.61388445977559 15.999 > 18 71 O 0.31447601592764 0.59281927857265 0.61388445977559 15.999 > 18 72 O 0.81447601592764 0.59281927857265 0.61388445977559 15.999 > 18 73 O 0.10731630843229 0.20538517594034 0.87883110067206 15.999 > 19 74 O 0.60731630843229 0.20538517594034 0.87883110067206 15.999 > 19 75 O 0.10731630843229 0.70538517594034 0.87883110067206 15.999 > 19 76 O 0.60731630843229 0.70538517594034 0.87883110067206 15.999 > 19 77 O 0.49760754037978 0.17284284585744 0.12852134608980 15.999 > 20 78 O 0.99760754037978 0.17284284585744 0.12852134608980 15.999 > 20 79 O 0.49760754037978 0.67284284585744 0.12852134608980 15.999 > 20 80 O 0.99760754037978 0.67284284585744 0.12852134608980 15.999 > 20 81 O 0.33838713073208 0.20807699042303 0.87192084698397 15.999 > 21 82 O 0.83838713073208 0.20807699042303 0.87192084698397 15.999 > 21 83 O 0.33838713073208 0.70807699042303 0.87192084698397 15.999 > 21 84 O 0.83838713073208 0.70807699042303 0.87192084698397 15.999 > 21 85 O 0.31447601592764 0.15718072142735 0.11388445977559 15.999 > 22 86 O 0.81447601592764 0.15718072142735 0.11388445977559 15.999 > 22 87 O 0.31447601592764 0.65718072142735 0.11388445977559 15.999 > 22 88 O 0.81447601592764 0.65718072142735 0.11388445977559 15.999 > 22 89 O 0.16161286926792 0.29192300957697 0.12807915301603 15.999 > 23 90 O 0.66161286926792 0.29192300957697 0.12807915301603 15.999 > 23 91 O 0.16161286926792 0.79192300957697 0.12807915301603 15.999 > 23 92 O 0.66161286926792 0.79192300957697 0.12807915301603 15.999 > 23 93 O 0.49760754037978 0.07715715414256 0.62852134608980 15.999 > 24 94 O 0.99760754037978 0.07715715414256 0.62852134608980 15.999 > 24 95 O 0.49760754037978 0.57715715414256 0.62852134608980 15.999 > 24 96 O 0.99760754037978 0.57715715414256 0.62852134608980 15.999 > 24 97 O 0.39268369156771 0.45538517594034 0.62116889932794 15.999 > 25 98 O 0.89268369156771 0.45538517594034 0.62116889932794 15.999 > 25 99 O 0.39268369156771 0.95538517594034 0.62116889932794 15.999 > 25 100 O 0.89268369156771 0.95538517594034 0.62116889932794 15.999 > 25 101 O 0.18552398407236 0.34281927857265 0.88611554022441 15.999 > 26 102 O 0.68552398407236 0.34281927857265 0.88611554022441 15.999 > 26 103 O 0.18552398407236 0.84281927857265 0.88611554022441 15.999 > 26 104 O 0.68552398407236 0.84281927857265 0.88611554022441 15.999 > 26 105 O 0.33838713073208 0.04192300957697 0.37192084698397 15.999 > 27 106 O 0.83838713073208 0.04192300957697 0.37192084698397 15.999 > 27 107 O 0.33838713073208 0.54192300957697 0.37192084698397 15.999 > 27 108 O 0.83838713073208 0.54192300957697 0.37192084698397 15.999 > 27 109 O 0.39268369156771 0.29461482405966 0.12116889932794 15.999 > 28 110 O 0.89268369156771 0.29461482405966 0.12116889932794 15.999 > 28 111 O 0.39268369156771 0.79461482405966 0.12116889932794 15.999 > 28 112 O 0.89268369156771 0.79461482405966 0.12116889932794 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3573362 0.0000000 -0.0054412 0.0000000 3.4856885 0.0000000 -0.0054544 0.0000000 3.3912068 -------------------------- Born effective charges -------------------------- 1 La 4.2253637 -0.0936668 -0.0757350 0.2278185 4.5664903 -0.4093388 -0.1310384 -0.3404643 4.2684190 2 La 4.2253637 0.0936668 -0.0757350 -0.2278185 4.5664903 0.4093388 -0.1310384 0.3404643 4.2684190 3 La 4.2253637 0.0936668 -0.0757350 -0.2278185 4.5664903 0.4093388 -0.1310384 0.3404643 4.2684190 4 La 4.2253637 -0.0936668 -0.0757350 0.2278185 4.5664903 -0.4093388 -0.1310384 -0.3404643 4.2684190 5 S 4.4561622 0.3721755 0.3371674 0.0246582 3.8698934 -0.0501372 0.4581908 0.1149207 3.7417608 6 S 4.4561622 -0.3721755 0.3371674 -0.0246582 3.8698934 0.0501372 0.4581908 -0.1149207 3.7417608 7 S 4.4561622 -0.3721755 0.3371674 -0.0246582 3.8698934 0.0501372 0.4581908 -0.1149207 3.7417608 8 S 4.4561622 0.3721755 0.3371674 0.0246582 3.8698934 -0.0501372 0.4581908 0.1149207 3.7417608 9 Cl -0.8261014 0.1578111 0.1841541 0.1758744 -1.4492482 0.1653962 0.2171055 0.1253686 -1.3851631 10 Cl -0.8261014 -0.1578111 0.1841541 -0.1758744 -1.4492482 -0.1653962 0.2171055 -0.1253686 -1.3851631 11 Cl -0.8261014 0.1578111 0.1841541 0.1758744 -1.4492482 0.1653962 0.2171055 0.1253686 -1.3851631 12 Cl -0.8261014 -0.1578111 0.1841541 -0.1758744 -1.4492482 -0.1653962 0.2171055 -0.1253686 -1.3851631 13 O -3.0353912 0.7029891 -0.9642560 0.6467781 -1.1431062 0.2912146 -0.9884805 0.3196240 -1.3593376 14 O -1.2003283 0.3081679 -0.1655515 0.3170628 -1.7061481 -0.0940322 -0.2452552 -0.1611505 -2.5587367 15 O -1.2840722 -0.6246953 0.2147049 -0.5695338 -2.6695024 0.5689180 0.1984735 0.4784618 -1.2739135 16 O -3.0353912 -0.7029891 -0.9642560 -0.6467781 -1.1431062 -0.2912146 -0.9884805 -0.3196240 -1.3593376 17 O -2.3356328 0.6246997 0.4695162 0.6724487 -1.4683788 -0.0509547 0.4910043 -0.0758774 -1.4330288 18 O -2.3356328 0.6246997 0.4695162 0.6724487 -1.4683788 -0.0509547 0.4910043 -0.0758774 -1.4330288 19 O -1.2840722 0.6246953 0.2147049 0.5695338 -2.6695024 -0.5689180 0.1984735 -0.4784618 -1.2739135 20 O -3.0353912 0.7029891 -0.9642560 0.6467781 -1.1431062 0.2912146 -0.9884805 0.3196240 -1.3593376 21 O -1.2003283 -0.3081679 -0.1655515 -0.3170628 -1.7061481 0.0940322 -0.2452552 0.1611505 -2.5587367 22 O -2.3356328 -0.6246997 0.4695162 -0.6724487 -1.4683788 0.0509547 0.4910043 0.0758774 -1.4330288 23 O -1.2003283 -0.3081679 -0.1655515 -0.3170628 -1.7061481 0.0940322 -0.2452552 0.1611505 -2.5587367 24 O -3.0353912 -0.7029891 -0.9642560 -0.6467781 -1.1431062 -0.2912146 -0.9884805 -0.3196240 -1.3593376 25 O -1.2840722 -0.6246953 0.2147049 -0.5695338 -2.6695024 0.5689180 0.1984735 0.4784618 -1.2739135 26 O -2.3356328 -0.6246997 0.4695162 -0.6724487 -1.4683788 0.0509547 0.4910043 0.0758774 -1.4330288 27 O -1.2003283 0.3081679 -0.1655515 0.3170628 -1.7061481 -0.0940322 -0.2452552 -0.1611505 -2.5587367 28 O -1.2840722 0.6246953 0.2147049 0.5695338 -2.6695024 -0.5689180 0.1984735 -0.4784618 -1.2739135 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.012 Solver_block: 200 / 880 - Time: 0.877 Solver_block: 300 / 880 - Time: 0.879 Solver_block: 400 / 880 - Time: 0.879 Solver_block: 500 / 880 - Time: 0.878 Solver_block: 600 / 880 - Time: 0.879 Solver_block: 700 / 880 - Time: 0.878 Solver_block: 800 / 880 - Time: 0.880 Solver_block: 880 / 880 - Time: 0.797 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.170 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:17:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:17:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.723780770998903 0.000000000000000 0.000000000000000 b 0.000000000000000 8.140555190000002 0.000000000000000 c -3.495221830503774 0.000000000000000 7.831260242885874 Atomic positions (fractional): 1 La 0.38481079611520 0.30553762374674 0.27484397332371 138.905 2 La 0.38481079611520 0.19446237625326 0.77484397332371 138.905 3 La 0.61518920388480 0.80553762374674 0.22515602667629 138.905 4 La 0.61518920388480 0.69446237625326 0.72515602667629 138.905 5 S 0.77735756661483 0.08266966228249 0.56519608688351 32.065 6 S 0.77735756661483 0.41733033771751 0.06519608688351 32.065 7 S 0.22264243338517 0.58266966228249 0.93480391311649 32.065 8 S 0.22264243338517 0.91733033771751 0.43480391311649 32.065 9 Cl 0.72977183371414 0.96377605921132 0.96974811204721 35.453 10 Cl 0.72977183371414 0.53622394078868 0.46974811204721 35.453 11 Cl 0.27022816628586 0.03622394078868 0.03025188795279 35.453 12 Cl 0.27022816628586 0.46377605921132 0.53025188795279 35.453 13 O 0.00478491924044 0.65431430828512 0.87147865391020 15.999 14 O 0.32322573853585 0.91615398084607 0.62807915301603 15.999 15 O 0.21463261686458 0.08922964811933 0.37883110067206 15.999 16 O 0.00478491924044 0.84568569171488 0.37147865391020 15.999 17 O 0.37104796814473 0.81436144285471 0.38611554022441 15.999 18 O 0.62895203185527 0.18563855714529 0.61388445977559 15.999 19 O 0.21463261686458 0.41077035188067 0.87883110067206 15.999 20 O 0.99521508075956 0.34568569171488 0.12852134608980 15.999 21 O 0.67677426146415 0.41615398084607 0.87192084698397 15.999 22 O 0.62895203185527 0.31436144285471 0.11388445977559 15.999 23 O 0.32322573853585 0.58384601915393 0.12807915301603 15.999 24 O 0.99521508075956 0.15431430828512 0.62852134608980 15.999 25 O 0.78536738313542 0.91077035188067 0.62116889932794 15.999 26 O 0.37104796814473 0.68563855714529 0.88611554022441 15.999 27 O 0.67677426146415 0.08384601915393 0.37192084698397 15.999 28 O 0.78536738313542 0.58922964811933 0.12116889932794 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.447561541997805 0.000000000000000 0.000000000000000 b 0.000000000000000 16.281110380000005 0.000000000000000 c -3.495221830503774 0.000000000000000 7.831260242885874 Atomic positions (fractional): 1 La 0.19240539805760 0.15276881187337 0.27484397332371 138.905 > 1 2 La 0.69240539805760 0.15276881187337 0.27484397332371 138.905 > 1 3 La 0.19240539805760 0.65276881187337 0.27484397332371 138.905 > 1 4 La 0.69240539805760 0.65276881187337 0.27484397332371 138.905 > 1 5 La 0.19240539805760 0.09723118812663 0.77484397332371 138.905 > 5 6 La 0.69240539805760 0.09723118812663 0.77484397332371 138.905 > 5 7 La 0.19240539805760 0.59723118812663 0.77484397332371 138.905 > 5 8 La 0.69240539805760 0.59723118812663 0.77484397332371 138.905 > 5 9 La 0.30759460194240 0.40276881187337 0.22515602667629 138.905 > 9 10 La 0.80759460194240 0.40276881187337 0.22515602667629 138.905 > 9 11 La 0.30759460194240 0.90276881187337 0.22515602667629 138.905 > 9 12 La 0.80759460194240 0.90276881187337 0.22515602667629 138.905 > 9 13 La 0.30759460194240 0.34723118812663 0.72515602667629 138.905 > 13 14 La 0.80759460194240 0.34723118812663 0.72515602667629 138.905 > 13 15 La 0.30759460194240 0.84723118812663 0.72515602667629 138.905 > 13 16 La 0.80759460194240 0.84723118812663 0.72515602667629 138.905 > 13 17 S 0.38867878330741 0.04133483114125 0.56519608688351 32.065 > 17 18 S 0.88867878330741 0.04133483114125 0.56519608688351 32.065 > 17 19 S 0.38867878330741 0.54133483114125 0.56519608688351 32.065 > 17 20 S 0.88867878330741 0.54133483114125 0.56519608688351 32.065 > 17 21 S 0.38867878330741 0.20866516885875 0.06519608688351 32.065 > 21 22 S 0.88867878330741 0.20866516885875 0.06519608688351 32.065 > 21 23 S 0.38867878330741 0.70866516885875 0.06519608688351 32.065 > 21 24 S 0.88867878330741 0.70866516885875 0.06519608688351 32.065 > 21 25 S 0.11132121669259 0.29133483114125 0.93480391311649 32.065 > 25 26 S 0.61132121669259 0.29133483114125 0.93480391311649 32.065 > 25 27 S 0.11132121669259 0.79133483114125 0.93480391311649 32.065 > 25 28 S 0.61132121669259 0.79133483114125 0.93480391311649 32.065 > 25 29 S 0.11132121669259 0.45866516885875 0.43480391311649 32.065 > 29 30 S 0.61132121669259 0.45866516885875 0.43480391311649 32.065 > 29 31 S 0.11132121669259 0.95866516885875 0.43480391311649 32.065 > 29 32 S 0.61132121669259 0.95866516885875 0.43480391311649 32.065 > 29 33 Cl 0.36488591685707 0.48188802960566 0.96974811204721 35.453 > 33 34 Cl 0.86488591685707 0.48188802960566 0.96974811204721 35.453 > 33 35 Cl 0.36488591685707 0.98188802960566 0.96974811204721 35.453 > 33 36 Cl 0.86488591685707 0.98188802960566 0.96974811204721 35.453 > 33 37 Cl 0.36488591685707 0.26811197039434 0.46974811204721 35.453 > 37 38 Cl 0.86488591685707 0.26811197039434 0.46974811204721 35.453 > 37 39 Cl 0.36488591685707 0.76811197039434 0.46974811204721 35.453 > 37 40 Cl 0.86488591685707 0.76811197039434 0.46974811204721 35.453 > 37 41 Cl 0.13511408314293 0.01811197039434 0.03025188795279 35.453 > 41 42 Cl 0.63511408314293 0.01811197039434 0.03025188795279 35.453 > 41 43 Cl 0.13511408314293 0.51811197039434 0.03025188795279 35.453 > 41 44 Cl 0.63511408314293 0.51811197039434 0.03025188795279 35.453 > 41 45 Cl 0.13511408314293 0.23188802960566 0.53025188795279 35.453 > 45 46 Cl 0.63511408314293 0.23188802960566 0.53025188795279 35.453 > 45 47 Cl 0.13511408314293 0.73188802960566 0.53025188795279 35.453 > 45 48 Cl 0.63511408314293 0.73188802960566 0.53025188795279 35.453 > 45 49 O 0.00239245962022 0.32715715414256 0.87147865391020 15.999 > 49 50 O 0.50239245962022 0.32715715414256 0.87147865391020 15.999 > 49 51 O 0.00239245962022 0.82715715414256 0.87147865391020 15.999 > 49 52 O 0.50239245962022 0.82715715414256 0.87147865391020 15.999 > 49 53 O 0.16161286926792 0.45807699042303 0.62807915301603 15.999 > 53 54 O 0.66161286926792 0.45807699042303 0.62807915301603 15.999 > 53 55 O 0.16161286926792 0.95807699042303 0.62807915301603 15.999 > 53 56 O 0.66161286926792 0.95807699042303 0.62807915301603 15.999 > 53 57 O 0.10731630843229 0.04461482405966 0.37883110067206 15.999 > 57 58 O 0.60731630843229 0.04461482405966 0.37883110067206 15.999 > 57 59 O 0.10731630843229 0.54461482405966 0.37883110067206 15.999 > 57 60 O 0.60731630843229 0.54461482405966 0.37883110067206 15.999 > 57 61 O 0.00239245962022 0.42284284585744 0.37147865391020 15.999 > 61 62 O 0.50239245962022 0.42284284585744 0.37147865391020 15.999 > 61 63 O 0.00239245962022 0.92284284585744 0.37147865391020 15.999 > 61 64 O 0.50239245962022 0.92284284585744 0.37147865391020 15.999 > 61 65 O 0.18552398407236 0.40718072142735 0.38611554022441 15.999 > 65 66 O 0.68552398407236 0.40718072142735 0.38611554022441 15.999 > 65 67 O 0.18552398407236 0.90718072142735 0.38611554022441 15.999 > 65 68 O 0.68552398407236 0.90718072142735 0.38611554022441 15.999 > 65 69 O 0.31447601592764 0.09281927857265 0.61388445977559 15.999 > 69 70 O 0.81447601592764 0.09281927857265 0.61388445977559 15.999 > 69 71 O 0.31447601592764 0.59281927857265 0.61388445977559 15.999 > 69 72 O 0.81447601592764 0.59281927857265 0.61388445977559 15.999 > 69 73 O 0.10731630843229 0.20538517594034 0.87883110067206 15.999 > 73 74 O 0.60731630843229 0.20538517594034 0.87883110067206 15.999 > 73 75 O 0.10731630843229 0.70538517594034 0.87883110067206 15.999 > 73 76 O 0.60731630843229 0.70538517594034 0.87883110067206 15.999 > 73 77 O 0.49760754037978 0.17284284585744 0.12852134608980 15.999 > 77 78 O 0.99760754037978 0.17284284585744 0.12852134608980 15.999 > 77 79 O 0.49760754037978 0.67284284585744 0.12852134608980 15.999 > 77 80 O 0.99760754037978 0.67284284585744 0.12852134608980 15.999 > 77 81 O 0.33838713073208 0.20807699042303 0.87192084698397 15.999 > 81 82 O 0.83838713073208 0.20807699042303 0.87192084698397 15.999 > 81 83 O 0.33838713073208 0.70807699042303 0.87192084698397 15.999 > 81 84 O 0.83838713073208 0.70807699042303 0.87192084698397 15.999 > 81 85 O 0.31447601592764 0.15718072142735 0.11388445977559 15.999 > 85 86 O 0.81447601592764 0.15718072142735 0.11388445977559 15.999 > 85 87 O 0.31447601592764 0.65718072142735 0.11388445977559 15.999 > 85 88 O 0.81447601592764 0.65718072142735 0.11388445977559 15.999 > 85 89 O 0.16161286926792 0.29192300957697 0.12807915301603 15.999 > 89 90 O 0.66161286926792 0.29192300957697 0.12807915301603 15.999 > 89 91 O 0.16161286926792 0.79192300957697 0.12807915301603 15.999 > 89 92 O 0.66161286926792 0.79192300957697 0.12807915301603 15.999 > 89 93 O 0.49760754037978 0.07715715414256 0.62852134608980 15.999 > 93 94 O 0.99760754037978 0.07715715414256 0.62852134608980 15.999 > 93 95 O 0.49760754037978 0.57715715414256 0.62852134608980 15.999 > 93 96 O 0.99760754037978 0.57715715414256 0.62852134608980 15.999 > 93 97 O 0.39268369156771 0.45538517594034 0.62116889932794 15.999 > 97 98 O 0.89268369156771 0.45538517594034 0.62116889932794 15.999 > 97 99 O 0.39268369156771 0.95538517594034 0.62116889932794 15.999 > 97 100 O 0.89268369156771 0.95538517594034 0.62116889932794 15.999 > 97 101 O 0.18552398407236 0.34281927857265 0.88611554022441 15.999 > 101 102 O 0.68552398407236 0.34281927857265 0.88611554022441 15.999 > 101 103 O 0.18552398407236 0.84281927857265 0.88611554022441 15.999 > 101 104 O 0.68552398407236 0.84281927857265 0.88611554022441 15.999 > 101 105 O 0.33838713073208 0.04192300957697 0.37192084698397 15.999 > 105 106 O 0.83838713073208 0.04192300957697 0.37192084698397 15.999 > 105 107 O 0.33838713073208 0.54192300957697 0.37192084698397 15.999 > 105 108 O 0.83838713073208 0.54192300957697 0.37192084698397 15.999 > 105 109 O 0.39268369156771 0.29461482405966 0.12116889932794 15.999 > 109 110 O 0.89268369156771 0.29461482405966 0.12116889932794 15.999 > 109 111 O 0.39268369156771 0.79461482405966 0.12116889932794 15.999 > 109 112 O 0.89268369156771 0.79461482405966 0.12116889932794 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3573362 0.0000000 -0.0054412 0.0000000 3.4856885 0.0000000 -0.0054544 0.0000000 3.3912068 -------------------------- Born effective charges -------------------------- 1 La 4.2253637 -0.0936668 -0.0757350 0.2278185 4.5664903 -0.4093388 -0.1310384 -0.3404643 4.2684190 2 La 4.2253637 0.0936668 -0.0757350 -0.2278185 4.5664903 0.4093388 -0.1310384 0.3404643 4.2684190 3 La 4.2253637 0.0936668 -0.0757350 -0.2278185 4.5664903 0.4093388 -0.1310384 0.3404643 4.2684190 4 La 4.2253637 -0.0936668 -0.0757350 0.2278185 4.5664903 -0.4093388 -0.1310384 -0.3404643 4.2684190 5 S 4.4561622 0.3721755 0.3371674 0.0246582 3.8698934 -0.0501372 0.4581908 0.1149207 3.7417608 6 S 4.4561622 -0.3721755 0.3371674 -0.0246582 3.8698934 0.0501372 0.4581908 -0.1149207 3.7417608 7 S 4.4561622 -0.3721755 0.3371674 -0.0246582 3.8698934 0.0501372 0.4581908 -0.1149207 3.7417608 8 S 4.4561622 0.3721755 0.3371674 0.0246582 3.8698934 -0.0501372 0.4581908 0.1149207 3.7417608 9 Cl -0.8261014 0.1578111 0.1841541 0.1758744 -1.4492482 0.1653962 0.2171055 0.1253686 -1.3851631 10 Cl -0.8261014 -0.1578111 0.1841541 -0.1758744 -1.4492482 -0.1653962 0.2171055 -0.1253686 -1.3851631 11 Cl -0.8261014 0.1578111 0.1841541 0.1758744 -1.4492482 0.1653962 0.2171055 0.1253686 -1.3851631 12 Cl -0.8261014 -0.1578111 0.1841541 -0.1758744 -1.4492482 -0.1653962 0.2171055 -0.1253686 -1.3851631 13 O -3.0353912 0.7029891 -0.9642560 0.6467781 -1.1431062 0.2912146 -0.9884805 0.3196240 -1.3593376 14 O -1.2003283 0.3081679 -0.1655515 0.3170628 -1.7061481 -0.0940322 -0.2452552 -0.1611505 -2.5587367 15 O -1.2840722 -0.6246953 0.2147049 -0.5695338 -2.6695024 0.5689180 0.1984735 0.4784618 -1.2739135 16 O -3.0353912 -0.7029891 -0.9642560 -0.6467781 -1.1431062 -0.2912146 -0.9884805 -0.3196240 -1.3593376 17 O -2.3356328 0.6246997 0.4695162 0.6724487 -1.4683788 -0.0509547 0.4910043 -0.0758774 -1.4330288 18 O -2.3356328 0.6246997 0.4695162 0.6724487 -1.4683788 -0.0509547 0.4910043 -0.0758774 -1.4330288 19 O -1.2840722 0.6246953 0.2147049 0.5695338 -2.6695024 -0.5689180 0.1984735 -0.4784618 -1.2739135 20 O -3.0353912 0.7029891 -0.9642560 0.6467781 -1.1431062 0.2912146 -0.9884805 0.3196240 -1.3593376 21 O -1.2003283 -0.3081679 -0.1655515 -0.3170628 -1.7061481 0.0940322 -0.2452552 0.1611505 -2.5587367 22 O -2.3356328 -0.6246997 0.4695162 -0.6724487 -1.4683788 0.0509547 0.4910043 0.0758774 -1.4330288 23 O -1.2003283 -0.3081679 -0.1655515 -0.3170628 -1.7061481 0.0940322 -0.2452552 0.1611505 -2.5587367 24 O -3.0353912 -0.7029891 -0.9642560 -0.6467781 -1.1431062 -0.2912146 -0.9884805 -0.3196240 -1.3593376 25 O -1.2840722 -0.6246953 0.2147049 -0.5695338 -2.6695024 0.5689180 0.1984735 0.4784618 -1.2739135 26 O -2.3356328 -0.6246997 0.4695162 -0.6724487 -1.4683788 0.0509547 0.4910043 0.0758774 -1.4330288 27 O -1.2003283 0.3081679 -0.1655515 0.3170628 -1.7061481 -0.0940322 -0.2452552 -0.1611505 -2.5587367 28 O -1.2840722 0.6246953 0.2147049 0.5695338 -2.6695024 -0.5689180 0.1984735 -0.4784618 -1.2739135 ---------------------------------------------------------------------------- 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000006 (zzz) 0.00000006 (zzz) 0.00000006 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zx) -0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:17:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:17:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.723780770998903 0.000000000000000 0.000000000000000 b 0.000000000000000 8.140555190000002 0.000000000000000 c -3.495221830503774 0.000000000000000 7.831260242885874 Atomic positions (fractional): 1 La 0.38481079611520 0.30553762374674 0.27484397332371 138.905 2 La 0.38481079611520 0.19446237625326 0.77484397332371 138.905 3 La 0.61518920388480 0.80553762374674 0.22515602667629 138.905 4 La 0.61518920388480 0.69446237625326 0.72515602667629 138.905 5 S 0.77735756661483 0.08266966228249 0.56519608688351 32.065 6 S 0.77735756661483 0.41733033771751 0.06519608688351 32.065 7 S 0.22264243338517 0.58266966228249 0.93480391311649 32.065 8 S 0.22264243338517 0.91733033771751 0.43480391311649 32.065 9 Cl 0.72977183371414 0.96377605921132 0.96974811204721 35.453 10 Cl 0.72977183371414 0.53622394078868 0.46974811204721 35.453 11 Cl 0.27022816628586 0.03622394078868 0.03025188795279 35.453 12 Cl 0.27022816628586 0.46377605921132 0.53025188795279 35.453 13 O 0.00478491924044 0.65431430828512 0.87147865391020 15.999 14 O 0.32322573853585 0.91615398084607 0.62807915301603 15.999 15 O 0.21463261686458 0.08922964811933 0.37883110067206 15.999 16 O 0.00478491924044 0.84568569171488 0.37147865391020 15.999 17 O 0.37104796814473 0.81436144285471 0.38611554022441 15.999 18 O 0.62895203185527 0.18563855714529 0.61388445977559 15.999 19 O 0.21463261686458 0.41077035188067 0.87883110067206 15.999 20 O 0.99521508075956 0.34568569171488 0.12852134608980 15.999 21 O 0.67677426146415 0.41615398084607 0.87192084698397 15.999 22 O 0.62895203185527 0.31436144285471 0.11388445977559 15.999 23 O 0.32322573853585 0.58384601915393 0.12807915301603 15.999 24 O 0.99521508075956 0.15431430828512 0.62852134608980 15.999 25 O 0.78536738313542 0.91077035188067 0.62116889932794 15.999 26 O 0.37104796814473 0.68563855714529 0.88611554022441 15.999 27 O 0.67677426146415 0.08384601915393 0.37192084698397 15.999 28 O 0.78536738313542 0.58922964811933 0.12116889932794 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.447561541997805 0.000000000000000 0.000000000000000 b 0.000000000000000 16.281110380000005 0.000000000000000 c -3.495221830503774 0.000000000000000 7.831260242885874 Atomic positions (fractional): 1 La 0.19240539805760 0.15276881187337 0.27484397332371 138.905 > 1 2 La 0.69240539805760 0.15276881187337 0.27484397332371 138.905 > 1 3 La 0.19240539805760 0.65276881187337 0.27484397332371 138.905 > 1 4 La 0.69240539805760 0.65276881187337 0.27484397332371 138.905 > 1 5 La 0.19240539805760 0.09723118812663 0.77484397332371 138.905 > 5 6 La 0.69240539805760 0.09723118812663 0.77484397332371 138.905 > 5 7 La 0.19240539805760 0.59723118812663 0.77484397332371 138.905 > 5 8 La 0.69240539805760 0.59723118812663 0.77484397332371 138.905 > 5 9 La 0.30759460194240 0.40276881187337 0.22515602667629 138.905 > 9 10 La 0.80759460194240 0.40276881187337 0.22515602667629 138.905 > 9 11 La 0.30759460194240 0.90276881187337 0.22515602667629 138.905 > 9 12 La 0.80759460194240 0.90276881187337 0.22515602667629 138.905 > 9 13 La 0.30759460194240 0.34723118812663 0.72515602667629 138.905 > 13 14 La 0.80759460194240 0.34723118812663 0.72515602667629 138.905 > 13 15 La 0.30759460194240 0.84723118812663 0.72515602667629 138.905 > 13 16 La 0.80759460194240 0.84723118812663 0.72515602667629 138.905 > 13 17 S 0.38867878330741 0.04133483114125 0.56519608688351 32.065 > 17 18 S 0.88867878330741 0.04133483114125 0.56519608688351 32.065 > 17 19 S 0.38867878330741 0.54133483114125 0.56519608688351 32.065 > 17 20 S 0.88867878330741 0.54133483114125 0.56519608688351 32.065 > 17 21 S 0.38867878330741 0.20866516885875 0.06519608688351 32.065 > 21 22 S 0.88867878330741 0.20866516885875 0.06519608688351 32.065 > 21 23 S 0.38867878330741 0.70866516885875 0.06519608688351 32.065 > 21 24 S 0.88867878330741 0.70866516885875 0.06519608688351 32.065 > 21 25 S 0.11132121669259 0.29133483114125 0.93480391311649 32.065 > 25 26 S 0.61132121669259 0.29133483114125 0.93480391311649 32.065 > 25 27 S 0.11132121669259 0.79133483114125 0.93480391311649 32.065 > 25 28 S 0.61132121669259 0.79133483114125 0.93480391311649 32.065 > 25 29 S 0.11132121669259 0.45866516885875 0.43480391311649 32.065 > 29 30 S 0.61132121669259 0.45866516885875 0.43480391311649 32.065 > 29 31 S 0.11132121669259 0.95866516885875 0.43480391311649 32.065 > 29 32 S 0.61132121669259 0.95866516885875 0.43480391311649 32.065 > 29 33 Cl 0.36488591685707 0.48188802960566 0.96974811204721 35.453 > 33 34 Cl 0.86488591685707 0.48188802960566 0.96974811204721 35.453 > 33 35 Cl 0.36488591685707 0.98188802960566 0.96974811204721 35.453 > 33 36 Cl 0.86488591685707 0.98188802960566 0.96974811204721 35.453 > 33 37 Cl 0.36488591685707 0.26811197039434 0.46974811204721 35.453 > 37 38 Cl 0.86488591685707 0.26811197039434 0.46974811204721 35.453 > 37 39 Cl 0.36488591685707 0.76811197039434 0.46974811204721 35.453 > 37 40 Cl 0.86488591685707 0.76811197039434 0.46974811204721 35.453 > 37 41 Cl 0.13511408314293 0.01811197039434 0.03025188795279 35.453 > 41 42 Cl 0.63511408314293 0.01811197039434 0.03025188795279 35.453 > 41 43 Cl 0.13511408314293 0.51811197039434 0.03025188795279 35.453 > 41 44 Cl 0.63511408314293 0.51811197039434 0.03025188795279 35.453 > 41 45 Cl 0.13511408314293 0.23188802960566 0.53025188795279 35.453 > 45 46 Cl 0.63511408314293 0.23188802960566 0.53025188795279 35.453 > 45 47 Cl 0.13511408314293 0.73188802960566 0.53025188795279 35.453 > 45 48 Cl 0.63511408314293 0.73188802960566 0.53025188795279 35.453 > 45 49 O 0.00239245962022 0.32715715414256 0.87147865391020 15.999 > 49 50 O 0.50239245962022 0.32715715414256 0.87147865391020 15.999 > 49 51 O 0.00239245962022 0.82715715414256 0.87147865391020 15.999 > 49 52 O 0.50239245962022 0.82715715414256 0.87147865391020 15.999 > 49 53 O 0.16161286926792 0.45807699042303 0.62807915301603 15.999 > 53 54 O 0.66161286926792 0.45807699042303 0.62807915301603 15.999 > 53 55 O 0.16161286926792 0.95807699042303 0.62807915301603 15.999 > 53 56 O 0.66161286926792 0.95807699042303 0.62807915301603 15.999 > 53 57 O 0.10731630843229 0.04461482405966 0.37883110067206 15.999 > 57 58 O 0.60731630843229 0.04461482405966 0.37883110067206 15.999 > 57 59 O 0.10731630843229 0.54461482405966 0.37883110067206 15.999 > 57 60 O 0.60731630843229 0.54461482405966 0.37883110067206 15.999 > 57 61 O 0.00239245962022 0.42284284585744 0.37147865391020 15.999 > 61 62 O 0.50239245962022 0.42284284585744 0.37147865391020 15.999 > 61 63 O 0.00239245962022 0.92284284585744 0.37147865391020 15.999 > 61 64 O 0.50239245962022 0.92284284585744 0.37147865391020 15.999 > 61 65 O 0.18552398407236 0.40718072142735 0.38611554022441 15.999 > 65 66 O 0.68552398407236 0.40718072142735 0.38611554022441 15.999 > 65 67 O 0.18552398407236 0.90718072142735 0.38611554022441 15.999 > 65 68 O 0.68552398407236 0.90718072142735 0.38611554022441 15.999 > 65 69 O 0.31447601592764 0.09281927857265 0.61388445977559 15.999 > 69 70 O 0.81447601592764 0.09281927857265 0.61388445977559 15.999 > 69 71 O 0.31447601592764 0.59281927857265 0.61388445977559 15.999 > 69 72 O 0.81447601592764 0.59281927857265 0.61388445977559 15.999 > 69 73 O 0.10731630843229 0.20538517594034 0.87883110067206 15.999 > 73 74 O 0.60731630843229 0.20538517594034 0.87883110067206 15.999 > 73 75 O 0.10731630843229 0.70538517594034 0.87883110067206 15.999 > 73 76 O 0.60731630843229 0.70538517594034 0.87883110067206 15.999 > 73 77 O 0.49760754037978 0.17284284585744 0.12852134608980 15.999 > 77 78 O 0.99760754037978 0.17284284585744 0.12852134608980 15.999 > 77 79 O 0.49760754037978 0.67284284585744 0.12852134608980 15.999 > 77 80 O 0.99760754037978 0.67284284585744 0.12852134608980 15.999 > 77 81 O 0.33838713073208 0.20807699042303 0.87192084698397 15.999 > 81 82 O 0.83838713073208 0.20807699042303 0.87192084698397 15.999 > 81 83 O 0.33838713073208 0.70807699042303 0.87192084698397 15.999 > 81 84 O 0.83838713073208 0.70807699042303 0.87192084698397 15.999 > 81 85 O 0.31447601592764 0.15718072142735 0.11388445977559 15.999 > 85 86 O 0.81447601592764 0.15718072142735 0.11388445977559 15.999 > 85 87 O 0.31447601592764 0.65718072142735 0.11388445977559 15.999 > 85 88 O 0.81447601592764 0.65718072142735 0.11388445977559 15.999 > 85 89 O 0.16161286926792 0.29192300957697 0.12807915301603 15.999 > 89 90 O 0.66161286926792 0.29192300957697 0.12807915301603 15.999 > 89 91 O 0.16161286926792 0.79192300957697 0.12807915301603 15.999 > 89 92 O 0.66161286926792 0.79192300957697 0.12807915301603 15.999 > 89 93 O 0.49760754037978 0.07715715414256 0.62852134608980 15.999 > 93 94 O 0.99760754037978 0.07715715414256 0.62852134608980 15.999 > 93 95 O 0.49760754037978 0.57715715414256 0.62852134608980 15.999 > 93 96 O 0.99760754037978 0.57715715414256 0.62852134608980 15.999 > 93 97 O 0.39268369156771 0.45538517594034 0.62116889932794 15.999 > 97 98 O 0.89268369156771 0.45538517594034 0.62116889932794 15.999 > 97 99 O 0.39268369156771 0.95538517594034 0.62116889932794 15.999 > 97 100 O 0.89268369156771 0.95538517594034 0.62116889932794 15.999 > 97 101 O 0.18552398407236 0.34281927857265 0.88611554022441 15.999 > 101 102 O 0.68552398407236 0.34281927857265 0.88611554022441 15.999 > 101 103 O 0.18552398407236 0.84281927857265 0.88611554022441 15.999 > 101 104 O 0.68552398407236 0.84281927857265 0.88611554022441 15.999 > 101 105 O 0.33838713073208 0.04192300957697 0.37192084698397 15.999 > 105 106 O 0.83838713073208 0.04192300957697 0.37192084698397 15.999 > 105 107 O 0.33838713073208 0.54192300957697 0.37192084698397 15.999 > 105 108 O 0.83838713073208 0.54192300957697 0.37192084698397 15.999 > 105 109 O 0.39268369156771 0.29461482405966 0.12116889932794 15.999 > 109 110 O 0.89268369156771 0.29461482405966 0.12116889932794 15.999 > 109 111 O 0.39268369156771 0.79461482405966 0.12116889932794 15.999 > 109 112 O 0.89268369156771 0.79461482405966 0.12116889932794 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3573362 0.0000000 -0.0054412 0.0000000 3.4856885 0.0000000 -0.0054544 0.0000000 3.3912068 -------------------------- Born effective charges -------------------------- 1 La 4.2253637 -0.0936668 -0.0757350 0.2278185 4.5664903 -0.4093388 -0.1310384 -0.3404643 4.2684190 2 La 4.2253637 0.0936668 -0.0757350 -0.2278185 4.5664903 0.4093388 -0.1310384 0.3404643 4.2684190 3 La 4.2253637 0.0936668 -0.0757350 -0.2278185 4.5664903 0.4093388 -0.1310384 0.3404643 4.2684190 4 La 4.2253637 -0.0936668 -0.0757350 0.2278185 4.5664903 -0.4093388 -0.1310384 -0.3404643 4.2684190 5 S 4.4561622 0.3721755 0.3371674 0.0246582 3.8698934 -0.0501372 0.4581908 0.1149207 3.7417608 6 S 4.4561622 -0.3721755 0.3371674 -0.0246582 3.8698934 0.0501372 0.4581908 -0.1149207 3.7417608 7 S 4.4561622 -0.3721755 0.3371674 -0.0246582 3.8698934 0.0501372 0.4581908 -0.1149207 3.7417608 8 S 4.4561622 0.3721755 0.3371674 0.0246582 3.8698934 -0.0501372 0.4581908 0.1149207 3.7417608 9 Cl -0.8261014 0.1578111 0.1841541 0.1758744 -1.4492482 0.1653962 0.2171055 0.1253686 -1.3851631 10 Cl -0.8261014 -0.1578111 0.1841541 -0.1758744 -1.4492482 -0.1653962 0.2171055 -0.1253686 -1.3851631 11 Cl -0.8261014 0.1578111 0.1841541 0.1758744 -1.4492482 0.1653962 0.2171055 0.1253686 -1.3851631 12 Cl -0.8261014 -0.1578111 0.1841541 -0.1758744 -1.4492482 -0.1653962 0.2171055 -0.1253686 -1.3851631 13 O -3.0353912 0.7029891 -0.9642560 0.6467781 -1.1431062 0.2912146 -0.9884805 0.3196240 -1.3593376 14 O -1.2003283 0.3081679 -0.1655515 0.3170628 -1.7061481 -0.0940322 -0.2452552 -0.1611505 -2.5587367 15 O -1.2840722 -0.6246953 0.2147049 -0.5695338 -2.6695024 0.5689180 0.1984735 0.4784618 -1.2739135 16 O -3.0353912 -0.7029891 -0.9642560 -0.6467781 -1.1431062 -0.2912146 -0.9884805 -0.3196240 -1.3593376 17 O -2.3356328 0.6246997 0.4695162 0.6724487 -1.4683788 -0.0509547 0.4910043 -0.0758774 -1.4330288 18 O -2.3356328 0.6246997 0.4695162 0.6724487 -1.4683788 -0.0509547 0.4910043 -0.0758774 -1.4330288 19 O -1.2840722 0.6246953 0.2147049 0.5695338 -2.6695024 -0.5689180 0.1984735 -0.4784618 -1.2739135 20 O -3.0353912 0.7029891 -0.9642560 0.6467781 -1.1431062 0.2912146 -0.9884805 0.3196240 -1.3593376 21 O -1.2003283 -0.3081679 -0.1655515 -0.3170628 -1.7061481 0.0940322 -0.2452552 0.1611505 -2.5587367 22 O -2.3356328 -0.6246997 0.4695162 -0.6724487 -1.4683788 0.0509547 0.4910043 0.0758774 -1.4330288 23 O -1.2003283 -0.3081679 -0.1655515 -0.3170628 -1.7061481 0.0940322 -0.2452552 0.1611505 -2.5587367 24 O -3.0353912 -0.7029891 -0.9642560 -0.6467781 -1.1431062 -0.2912146 -0.9884805 -0.3196240 -1.3593376 25 O -1.2840722 -0.6246953 0.2147049 -0.5695338 -2.6695024 0.5689180 0.1984735 0.4784618 -1.2739135 26 O -2.3356328 -0.6246997 0.4695162 -0.6724487 -1.4683788 0.0509547 0.4910043 0.0758774 -1.4330288 27 O -1.2003283 0.3081679 -0.1655515 0.3170628 -1.7061481 -0.0940322 -0.2452552 -0.1611505 -2.5587367 28 O -1.2840722 0.6246953 0.2147049 0.5695338 -2.6695024 -0.5689180 0.1984735 -0.4784618 -1.2739135 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (zzz) 0.00000006 (zzz) 0.00000006 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 6 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 313, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 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 1.624 ( 0.000 0.000 0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.462 ( 0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.572 ( 0.000 0.000 0.000) 0.000 3.579 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.160 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.504 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 5.931 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 6.530 ( 0.000 0.000 0.000) 0.000 6.562 ( 0.000 0.000 0.000) 0.000 6.811 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 6.930 ( 0.000 0.000 0.000) 0.000 7.391 ( 0.000 0.000 0.000) 0.000 11.911 ( 0.000 0.000 0.000) 0.000 11.997 ( 0.000 0.000 0.000) 0.000 12.471 ( 0.000 0.000 0.000) 0.000 12.783 ( 0.000 0.000 0.000) 0.000 12.921 ( 0.000 0.000 0.000) 0.000 13.124 ( 0.000 0.000 0.000) 0.000 13.772 ( 0.000 0.000 0.000) 0.000 14.148 ( 0.000 0.000 0.000) 0.000 16.744 ( 0.000 0.000 0.000) 0.000 16.793 ( 0.000 0.000 0.000) 0.000 16.959 ( 0.000 0.000 0.000) 0.000 17.145 ( 0.000 0.000 0.000) 0.000 17.171 ( 0.000 0.000 0.000) 0.000 17.225 ( 0.000 0.000 0.000) 0.000 17.702 ( 0.000 0.000 0.000) 0.000 17.789 ( 0.000 0.000 0.000) 0.000 18.526 ( 0.000 0.000 0.000) 0.000 18.634 ( 0.000 0.000 0.000) 0.000 18.691 ( 0.000 0.000 0.000) 0.000 18.942 ( 0.000 0.000 0.000) 0.000 28.177 ( 0.000 0.000 0.000) 0.000 28.226 ( 0.000 0.000 0.000) 0.000 28.240 ( 0.000 0.000 0.000) 0.000 28.484 ( 0.000 0.000 0.000) 0.000 29.862 ( 0.000 0.000 0.000) 0.000 29.886 ( 0.000 0.000 0.000) 0.000 30.299 ( 0.000 0.000 0.000) 0.000 31.009 ( 0.000 0.000 0.000) 0.000 32.040 ( 0.000 0.000 0.000) 0.000 32.066 ( 0.000 0.000 0.000) 0.000 32.710 ( 0.000 0.000 0.000) 0.000 32.750 ( 0.000 0.000 0.000) 0.000 33.522 ( 0.000 0.000 0.000) 0.000 33.568 ( 0.000 0.000 0.000) 0.000 34.182 ( 0.000 0.000 0.000) 0.000 34.659 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 16.790 0.000 16.063) 23.236 0.486 ( 22.051 0.000 8.422) 23.604 0.929 ( 36.871 0.000 16.621) 40.444 1.596 ( -2.541 0.000 -0.144) 2.545 1.944 ( 11.958 0.000 6.901) 13.806 2.346 ( -4.169 0.000 8.559) 9.520 2.395 ( -1.654 0.000 1.215) 2.052 2.530 ( 7.381 0.000 -4.484) 8.636 2.831 ( 0.651 0.000 -0.995) 1.190 2.924 ( 9.661 0.000 25.923) 27.665 3.163 ( -1.698 0.000 0.952) 1.946 3.341 ( -3.504 0.000 -0.731) 3.579 3.426 ( 1.259 0.000 -4.140) 4.327 3.515 ( -4.407 0.000 -0.252) 4.414 3.551 ( -5.361 0.000 3.987) 6.681 3.594 ( -0.514 0.000 2.040) 2.104 3.669 ( 2.475 0.000 -0.110) 2.478 3.692 ( 3.038 0.000 4.478) 5.411 3.897 ( 0.264 0.000 7.015) 7.020 4.046 ( 0.862 0.000 2.705) 2.839 4.078 ( -4.667 0.000 -1.527) 4.910 4.324 ( 3.076 0.000 -2.646) 4.058 4.331 ( 7.287 0.000 0.841) 7.335 4.550 ( 5.581 0.000 1.380) 5.749 4.670 ( -0.618 0.000 -2.936) 3.001 4.918 ( 2.357 0.000 0.689) 2.455 4.932 ( 2.453 0.000 2.655) 3.615 5.053 ( 4.362 0.000 5.607) 7.104 5.105 ( 2.751 0.000 0.289) 2.766 5.422 ( -5.965 0.000 -5.404) 8.049 5.492 ( -1.321 0.000 -4.390) 4.584 5.559 ( -2.761 0.000 0.358) 2.785 5.591 ( 0.534 0.000 -1.135) 1.255 5.642 ( 1.605 0.000 -1.673) 2.318 5.766 ( -4.382 0.000 0.708) 4.439 5.849 ( -4.364 0.000 0.211) 4.369 6.011 ( -2.463 0.000 1.458) 2.862 6.093 ( 4.102 0.000 -1.221) 4.280 6.171 ( -2.953 0.000 2.022) 3.579 6.186 ( -4.335 0.000 3.265) 5.427 6.366 ( -1.083 0.000 -1.218) 1.630 6.409 ( -5.975 0.000 -3.646) 6.999 6.619 ( -0.370 0.000 2.993) 3.016 6.747 ( -5.319 0.000 -1.934) 5.659 6.789 ( -10.565 0.000 -4.659) 11.546 6.905 ( -2.259 0.000 -1.126) 2.525 7.441 ( 5.062 0.000 -0.839) 5.131 8.346 ( -4.886 0.000 -11.250) 12.265 11.932 ( 2.226 0.000 -0.152) 2.232 12.025 ( 2.722 0.000 0.409) 2.752 12.462 ( -0.959 0.000 -1.176) 1.518 12.763 ( -1.777 0.000 -0.793) 1.945 12.966 ( 4.173 0.000 1.214) 4.346 13.165 ( 4.513 0.000 -0.535) 4.545 13.766 ( -1.598 0.000 2.010) 2.568 14.104 ( -3.761 0.000 -2.194) 4.354 16.787 ( 3.550 0.000 -6.872) 7.735 16.797 ( 0.452 0.000 0.481) 0.661 16.961 ( 0.091 0.000 0.431) 0.441 17.129 ( -1.449 0.000 2.025) 2.490 17.200 ( 1.954 0.000 -0.939) 2.168 17.309 ( -3.026 0.000 5.726) 6.476 17.699 ( -0.347 0.000 0.190) 0.396 17.800 ( 1.135 0.000 -0.347) 1.187 18.535 ( 0.406 0.000 1.400) 1.458 18.665 ( -1.418 0.000 -1.979) 2.435 18.798 ( 0.893 0.000 1.265) 1.549 18.925 ( -1.038 0.000 -1.802) 2.080 28.196 ( 1.706 0.000 0.582) 1.803 28.233 ( 1.335 0.000 -1.375) 1.916 28.326 ( -8.575 0.000 18.964) 20.813 28.481 ( -0.402 0.000 0.150) 0.429 29.837 ( -0.410 0.000 -5.006) 5.022 29.933 ( 5.214 0.000 -6.497) 8.331 30.290 ( -0.622 0.000 -0.492) 0.793 31.014 ( -2.296 0.000 5.371) 5.842 32.066 ( 2.063 0.000 1.373) 2.478 32.079 ( 1.733 0.000 -0.377) 1.773 32.690 ( -1.203 0.000 -2.253) 2.554 33.384 ( -11.505 0.000 -4.579) 12.383 33.524 ( -0.307 0.000 2.538) 2.556 33.881 ( 6.573 0.000 5.379) 8.493 34.195 ( 4.117 0.000 -7.122) 8.227 36.695 ( 7.499 0.000 -13.972) 15.857 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 15.700 0.000 13.816) 20.914 0.927 ( 16.530 0.000 6.815) 17.880 1.533 ( 15.070 0.000 10.206) 18.201 1.570 ( 1.250 0.000 2.019) 2.374 2.216 ( 7.765 0.000 2.974) 8.315 2.448 ( 5.811 0.000 -0.985) 5.894 2.502 ( 16.164 0.000 10.276) 19.154 2.553 ( 2.123 0.000 -14.499) 14.654 2.855 ( 2.860 0.000 -0.322) 2.878 3.093 ( -8.085 0.000 1.469) 8.217 3.244 ( -5.805 0.000 7.609) 9.570 3.302 ( 5.676 0.000 12.223) 13.476 3.431 ( 1.362 0.000 -2.564) 2.903 3.450 ( -0.666 0.000 -0.465) 0.812 3.477 ( -5.644 0.000 5.750) 8.057 3.634 ( 5.797 0.000 2.748) 6.416 3.696 ( 2.971 0.000 -2.896) 4.149 3.840 ( 2.595 0.000 8.920) 9.290 3.916 ( -0.709 0.000 2.683) 2.775 4.012 ( 1.245 0.000 -0.251) 1.270 4.224 ( 9.978 0.000 9.489) 13.769 4.348 ( 1.869 0.000 -2.508) 3.128 4.472 ( 6.423 0.000 1.020) 6.504 4.643 ( 0.995 0.000 -4.022) 4.143 4.675 ( 4.761 0.000 1.016) 4.869 4.947 ( -0.095 0.000 1.015) 1.020 4.976 ( 3.493 0.000 3.621) 5.031 5.149 ( 0.165 0.000 -0.805) 0.822 5.224 ( 2.985 0.000 -0.845) 3.103 5.287 ( -1.128 0.000 2.350) 2.607 5.418 ( -1.209 0.000 -7.129) 7.231 5.509 ( -1.797 0.000 1.503) 2.343 5.582 ( 0.642 0.000 -2.086) 2.183 5.661 ( 1.860 0.000 -2.285) 2.946 5.709 ( -2.502 0.000 2.264) 3.374 5.816 ( 0.817 0.000 0.888) 1.206 5.942 ( -4.594 0.000 -2.025) 5.020 6.054 ( -4.403 0.000 -3.920) 5.895 6.104 ( -8.621 0.000 1.702) 8.787 6.131 ( -2.869 0.000 0.712) 2.956 6.317 ( -0.060 0.000 -2.598) 2.599 6.340 ( 0.701 0.000 -1.824) 1.954 6.528 ( -12.887 0.000 -2.918) 13.213 6.541 ( -10.016 0.000 -1.429) 10.118 6.643 ( -1.922 0.000 -1.965) 2.749 6.832 ( -4.817 0.000 -0.337) 4.828 7.511 ( 2.781 0.000 -0.844) 2.906 8.081 ( -13.396 0.000 -10.309) 16.904 11.986 ( 3.655 0.000 -0.334) 3.671 12.098 ( 4.322 0.000 0.834) 4.402 12.423 ( -2.595 0.000 0.024) 2.596 12.709 ( -2.920 0.000 -1.303) 3.197 13.088 ( 7.053 0.000 2.271) 7.410 13.273 ( 7.469 0.000 -1.089) 7.548 13.743 ( -3.347 0.000 3.255) 4.669 13.981 ( -6.705 0.000 -3.361) 7.500 16.798 ( 2.457 0.000 -4.233) 4.894 16.828 ( 2.432 0.000 0.779) 2.554 16.971 ( 0.353 0.000 0.840) 0.911 17.129 ( -0.488 0.000 2.002) 2.061 17.204 ( -0.974 0.000 -0.704) 1.202 17.307 ( -1.234 0.000 3.682) 3.884 17.697 ( -0.075 0.000 0.322) 0.330 17.812 ( 0.449 0.000 -0.858) 0.968 18.565 ( 1.044 0.000 2.498) 2.708 18.618 ( -1.648 0.000 -1.959) 2.560 18.825 ( 0.759 0.000 1.338) 1.538 18.878 ( -1.683 0.000 -2.923) 3.373 28.247 ( 3.083 0.000 0.906) 3.213 28.251 ( 2.341 0.000 -2.687) 3.564 28.323 ( -4.891 0.000 10.511) 11.593 28.469 ( -1.060 0.000 0.205) 1.080 29.791 ( -1.322 0.000 -1.801) 2.234 29.971 ( 2.971 0.000 -2.758) 4.054 30.274 ( -0.542 0.000 -0.523) 0.754 30.990 ( -6.126 0.000 6.947) 9.262 32.122 ( 2.485 0.000 0.536) 2.542 32.134 ( 3.412 0.000 2.290) 4.109 32.638 ( -0.712 0.000 -4.623) 4.677 33.130 ( -10.736 0.000 -5.394) 12.015 33.580 ( 3.207 0.000 5.397) 6.278 34.022 ( 5.038 0.000 2.184) 5.491 34.194 ( 3.415 0.000 -11.224) 11.732 36.724 ( 4.013 0.000 -5.204) 6.572 ======================= Grid point 3 (4/104) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 1.666 0.000 1.949) 2.564 1.221 ( 10.486 0.000 8.611) 13.569 1.738 ( 3.235 0.000 4.394) 5.456 1.773 ( 14.868 0.000 8.800) 17.277 2.329 ( 3.089 0.000 2.320) 3.863 2.424 ( -1.429 0.000 -15.846) 15.910 2.545 ( 5.333 0.000 -2.039) 5.709 2.855 ( -4.777 0.000 -2.984) 5.632 2.881 ( 13.570 0.000 -0.342) 13.574 2.920 ( -7.075 0.000 1.273) 7.188 3.135 ( -8.874 0.000 6.782) 11.168 3.426 ( -1.880 0.000 6.507) 6.773 3.438 ( 1.525 0.000 0.451) 1.590 3.468 ( 3.038 0.000 -3.059) 4.311 3.485 ( 2.677 0.000 8.405) 8.821 3.705 ( -5.590 0.000 0.558) 5.618 3.828 ( 0.856 0.000 0.142) 0.868 3.851 ( 10.041 0.000 2.538) 10.357 3.947 ( 1.577 0.000 3.516) 3.853 4.148 ( 3.048 0.000 0.390) 3.072 4.413 ( 7.943 0.000 7.036) 10.611 4.496 ( 9.576 0.000 8.029) 12.497 4.556 ( 1.132 0.000 0.666) 1.314 4.663 ( 5.541 0.000 -4.007) 6.838 4.735 ( 2.472 0.000 0.104) 2.474 4.941 ( -1.869 0.000 2.715) 3.296 5.054 ( -7.650 0.000 -2.467) 8.038 5.090 ( -3.010 0.000 -0.978) 3.165 5.218 ( 7.188 0.000 -0.416) 7.200 5.329 ( 4.269 0.000 1.046) 4.396 5.373 ( 1.413 0.000 -3.665) 3.928 5.542 ( -3.297 0.000 -4.001) 5.184 5.572 ( 1.490 0.000 7.495) 7.642 5.665 ( 0.571 0.000 -2.443) 2.509 5.719 ( 1.882 0.000 0.841) 2.061 5.836 ( -3.028 0.000 -4.044) 5.052 5.836 ( -7.034 0.000 -1.840) 7.271 5.938 ( -4.765 0.000 -0.104) 4.766 5.962 ( 2.118 0.000 -0.437) 2.163 6.108 ( 0.501 0.000 -0.455) 0.677 6.293 ( -11.480 0.000 1.937) 11.643 6.295 ( -11.472 0.000 -3.128) 11.891 6.301 ( -1.006 0.000 -3.509) 3.650 6.409 ( 7.698 0.000 0.353) 7.706 6.616 ( 0.374 0.000 -2.033) 2.067 6.730 ( -5.888 0.000 1.163) 6.002 7.511 ( -3.943 0.000 -0.365) 3.959 7.736 ( -11.273 0.000 -9.266) 14.592 12.052 ( 3.369 0.000 -0.384) 3.390 12.185 ( 3.723 0.000 0.890) 3.828 12.373 ( -2.718 0.000 0.331) 2.738 12.642 ( -2.720 0.000 -1.174) 2.963 13.249 ( 7.393 0.000 2.658) 7.856 13.408 ( 7.607 0.000 -1.600) 7.773 13.694 ( -4.672 0.000 3.188) 5.656 13.816 ( -7.220 0.000 -3.375) 7.970 16.805 ( 1.335 0.000 -2.402) 2.748 16.897 ( 3.916 0.000 0.631) 3.966 16.985 ( 0.393 0.000 0.636) 0.747 17.134 ( -0.259 0.000 -0.464) 0.531 17.161 ( -3.036 0.000 1.361) 3.327 17.325 ( 0.181 0.000 2.443) 2.450 17.699 ( 0.026 0.000 0.084) 0.088 17.801 ( -0.581 0.000 -1.007) 1.163 18.579 ( -1.040 0.000 -1.138) 1.541 18.612 ( 1.443 0.000 2.719) 3.078 18.820 ( -1.712 0.000 -2.894) 3.363 18.845 ( 0.431 0.000 0.771) 0.883 28.272 ( 2.491 0.000 -3.295) 4.131 28.318 ( -3.329 0.000 6.787) 7.559 28.319 ( 3.668 0.000 0.810) 3.757 28.442 ( -2.091 0.000 0.039) 2.092 29.760 ( -0.870 0.000 -0.657) 1.090 29.996 ( 1.453 0.000 -1.145) 1.850 30.265 ( -0.060 0.000 -0.268) 0.275 30.915 ( -6.079 0.000 4.271) 7.429 32.162 ( 0.817 0.000 0.932) 1.239 32.219 ( 3.241 0.000 2.165) 3.897 32.605 ( 0.944 0.000 -3.703) 3.822 32.917 ( -7.217 0.000 -3.981) 8.242 33.725 ( 5.720 0.000 7.893) 9.747 34.104 ( 2.566 0.000 0.692) 2.658 34.126 ( -0.337 0.000 -11.729) 11.734 36.752 ( 1.998 0.000 -1.943) 2.787 ======================= Grid point 4 (5/104) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.000 0.000 0.000) 0.000 1.363 ( 0.000 0.000 -0.000) 0.000 1.781 ( 0.000 0.000 0.000) 0.000 2.083 ( -0.000 0.000 -0.000) 0.000 2.245 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 0.000) 0.000 2.765 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 2.994 ( 0.000 0.000 -0.000) 0.000 3.068 ( 0.000 0.000 -0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.543 ( -0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 -0.000) 0.000 3.580 ( 0.000 0.000 -0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 3.990 ( 0.000 0.000 -0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.602 ( -0.000 0.000 -0.000) 0.000 4.627 ( 0.000 0.000 -0.000) 0.000 4.755 ( -0.000 0.000 -0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 -0.000) 0.000 4.892 ( -0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 5.458 ( -0.000 0.000 -0.000) 0.000 5.466 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.626 ( -0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 5.766 ( -0.000 0.000 -0.000) 0.000 5.773 ( 0.000 0.000 0.000) 0.000 5.890 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.147 ( -0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 -0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.244 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 -0.000) 0.000 6.613 ( -0.000 0.000 0.000) 0.000 6.671 ( 0.000 0.000 0.000) 0.000 7.390 ( 0.000 0.000 0.000) 0.000 7.625 ( 0.000 0.000 0.000) 0.000 12.086 ( 0.000 0.000 0.000) 0.000 12.229 ( 0.000 0.000 0.000) 0.000 12.344 ( 0.000 0.000 0.000) 0.000 12.608 ( 0.000 0.000 0.000) 0.000 13.351 ( 0.000 0.000 0.000) 0.000 13.490 ( 0.000 0.000 0.000) 0.000 13.648 ( -0.000 0.000 0.000) 0.000 13.713 ( -0.000 0.000 -0.000) 0.000 16.808 ( 0.000 0.000 -0.000) 0.000 16.950 ( 0.000 0.000 0.000) 0.000 16.992 ( 0.000 0.000 0.000) 0.000 17.106 ( 0.000 0.000 0.000) 0.000 17.149 ( 0.000 0.000 0.000) 0.000 17.340 ( 0.000 0.000 0.000) 0.000 17.699 ( 0.000 0.000 0.000) 0.000 17.788 ( 0.000 0.000 0.000) 0.000 18.564 ( 0.000 0.000 0.000) 0.000 18.644 ( 0.000 0.000 0.000) 0.000 18.785 ( 0.000 0.000 0.000) 0.000 18.853 ( 0.000 0.000 -0.000) 0.000 28.283 ( 0.000 0.000 -0.000) 0.000 28.314 ( 0.000 0.000 0.000) 0.000 28.384 ( 0.000 0.000 0.000) 0.000 28.396 ( 0.000 0.000 0.000) 0.000 29.749 ( 0.000 0.000 -0.000) 0.000 30.005 ( 0.000 0.000 0.000) 0.000 30.264 ( 0.000 0.000 0.000) 0.000 30.870 ( 0.000 0.000 0.000) 0.000 32.171 ( 0.000 0.000 -0.000) 0.000 32.264 ( 0.000 0.000 0.000) 0.000 32.601 ( 0.000 0.000 0.000) 0.000 32.827 ( 0.000 0.000 0.000) 0.000 33.853 ( 0.000 0.000 0.000) 0.000 34.036 ( 0.000 0.000 0.000) 0.000 34.131 ( 0.000 0.000 0.000) 0.000 36.763 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/104) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 0.000 23.105 0.000) 23.105 0.562 ( 0.000 27.226 0.000) 27.226 1.003 ( 0.000 47.096 0.000) 47.096 1.670 ( 0.000 -6.250 0.000) 6.250 1.992 ( 0.000 7.272 0.000) 7.272 2.374 ( 0.000 -1.704 0.000) 1.704 2.407 ( 0.000 6.395 0.000) 6.395 2.483 ( 0.000 -10.329 0.000) 10.329 2.539 ( 0.000 5.423 0.000) 5.423 2.764 ( 0.000 -3.144 0.000) 3.144 3.177 ( 0.000 -0.342 0.000) 0.342 3.386 ( 0.000 -0.348 0.000) 0.348 3.390 ( 0.000 -9.131 0.000) 9.131 3.524 ( 0.000 -2.104 0.000) 2.104 3.544 ( 0.000 -2.319 0.000) 2.319 3.626 ( 0.000 3.917 0.000) 3.917 3.667 ( 0.000 1.092 0.000) 1.092 3.673 ( 0.000 6.729 0.000) 6.729 3.924 ( 0.000 5.267 0.000) 5.267 4.129 ( 0.000 4.211 0.000) 4.211 4.191 ( 0.000 -3.401 0.000) 3.401 4.256 ( 0.000 -1.574 0.000) 1.574 4.446 ( 0.000 0.285 0.000) 0.285 4.519 ( 0.000 1.751 0.000) 1.751 4.692 ( 0.000 -0.364 0.000) 0.364 4.765 ( 0.000 -5.905 0.000) 5.905 4.978 ( 0.000 3.417 0.000) 3.417 5.100 ( 0.000 2.403 0.000) 2.403 5.183 ( 0.000 0.804 0.000) 0.804 5.414 ( 0.000 -13.075 0.000) 13.075 5.480 ( 0.000 -7.766 0.000) 7.766 5.497 ( 0.000 -0.908 0.000) 0.908 5.605 ( 0.000 -1.331 0.000) 1.331 5.616 ( 0.000 3.200 0.000) 3.200 5.776 ( 0.000 -3.109 0.000) 3.109 5.886 ( 0.000 1.752 0.000) 1.752 6.013 ( 0.000 0.351 0.000) 0.351 6.024 ( 0.000 0.347 0.000) 0.347 6.161 ( 0.000 -2.032 0.000) 2.032 6.321 ( 0.000 -4.893 0.000) 4.893 6.342 ( 0.000 -3.509 0.000) 3.509 6.507 ( 0.000 -4.801 0.000) 4.801 6.532 ( 0.000 -0.070 0.000) 0.070 6.656 ( 0.000 1.388 0.000) 1.388 6.954 ( 0.000 2.220 0.000) 2.220 6.960 ( 0.000 2.635 0.000) 2.635 7.517 ( 0.000 10.574 0.000) 10.574 8.231 ( 0.000 -2.912 0.000) 2.912 11.919 ( 0.000 0.754 0.000) 0.754 11.993 ( 0.000 -0.416 0.000) 0.416 12.491 ( 0.000 1.872 0.000) 1.872 12.766 ( 0.000 -2.212 0.000) 2.212 12.936 ( 0.000 1.412 0.000) 1.412 13.112 ( 0.000 -1.174 0.000) 1.174 13.905 ( 0.000 1.308 0.000) 1.308 14.127 ( 0.000 -1.972 0.000) 1.972 16.744 ( 0.000 0.057 0.000) 0.057 16.789 ( 0.000 -1.015 0.000) 1.015 16.980 ( 0.000 1.826 0.000) 1.826 17.135 ( 0.000 -0.889 0.000) 0.889 17.191 ( 0.000 0.117 0.000) 0.117 17.220 ( 0.000 -0.462 0.000) 0.462 17.713 ( 0.000 0.985 0.000) 0.985 17.788 ( 0.000 -0.100 0.000) 0.100 18.640 ( 0.000 0.577 0.000) 0.577 18.689 ( 0.000 -0.177 0.000) 0.177 18.805 ( 0.000 1.050 0.000) 1.050 18.933 ( 0.000 -0.846 0.000) 0.846 28.166 ( 0.000 -0.595 0.000) 0.595 28.218 ( 0.000 -0.731 0.000) 0.731 28.272 ( 0.000 2.608 0.000) 2.608 28.475 ( 0.000 -1.068 0.000) 1.068 29.880 ( 0.000 1.488 0.000) 1.488 29.892 ( 0.000 0.585 0.000) 0.585 30.320 ( 0.000 2.260 0.000) 2.260 30.947 ( 0.000 -6.371 0.000) 6.371 32.036 ( 0.000 -0.292 0.000) 0.292 32.059 ( 0.000 -0.604 0.000) 0.604 32.795 ( 0.000 4.242 0.000) 4.242 33.249 ( 0.000 -3.340 0.000) 3.340 33.633 ( 0.000 5.684 0.000) 5.684 34.151 ( 0.000 -2.919 0.000) 2.919 34.686 ( 0.000 2.598 0.000) 2.598 35.015 ( 0.000 -2.267 0.000) 2.267 ======================= Grid point 10 (7/104) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 12.699 16.974 10.307) 23.571 0.733 ( 13.719 19.191 7.428) 24.733 1.294 ( 18.640 28.906 6.126) 34.936 1.696 ( -0.160 0.766 1.112) 1.360 2.065 ( 10.233 11.827 5.840) 16.694 2.324 ( -1.902 -1.730 1.191) 2.834 2.401 ( 1.180 3.319 -0.582) 3.571 2.551 ( 8.733 -2.235 -1.192) 9.093 2.690 ( 3.114 -4.644 -0.062) 5.592 2.840 ( 5.963 -7.831 10.393) 14.314 3.160 ( -2.569 -0.856 2.136) 3.449 3.361 ( -3.160 -0.630 2.055) 3.822 3.395 ( 2.154 -4.770 -3.011) 6.038 3.464 ( -5.310 -2.915 1.560) 6.255 3.508 ( -1.119 -3.785 -6.184) 7.336 3.629 ( -2.290 2.669 5.469) 6.502 3.693 ( 3.722 3.015 -0.910) 4.876 3.720 ( 0.985 5.454 4.958) 7.437 3.982 ( 2.389 4.473 8.827) 10.180 4.073 ( -2.360 3.763 3.225) 5.489 4.212 ( -4.719 1.887 -0.536) 5.111 4.318 ( 6.887 1.134 -7.600) 10.318 4.329 ( 0.536 0.147 1.845) 1.927 4.575 ( 5.281 2.576 1.566) 6.081 4.660 ( -0.590 -0.649 -1.604) 1.828 4.876 ( 5.171 -3.313 4.241) 7.463 4.958 ( -1.264 -0.063 -0.489) 1.357 5.103 ( 1.369 3.844 1.921) 4.511 5.189 ( 3.352 5.737 1.538) 6.820 5.328 ( -5.480 -9.030 -4.226) 11.377 5.453 ( -0.732 -3.209 -1.351) 3.558 5.542 ( -0.856 -2.178 3.906) 4.554 5.560 ( -0.281 -1.333 -5.106) 5.285 5.620 ( 2.415 -0.702 -3.082) 3.978 5.788 ( -2.320 1.217 -0.016) 2.620 5.882 ( -3.658 0.798 -0.174) 3.748 6.024 ( -1.254 0.116 0.956) 1.582 6.043 ( 3.435 -3.551 -0.775) 5.001 6.110 ( -3.885 -2.357 0.995) 4.652 6.247 ( -7.978 1.552 1.597) 8.283 6.320 ( -1.851 -2.698 -0.153) 3.275 6.386 ( -4.475 -2.959 -3.066) 6.179 6.594 ( -0.517 -1.330 1.860) 2.345 6.699 ( 1.814 -4.952 0.017) 5.274 6.823 ( -9.728 3.199 -3.402) 10.790 6.907 ( -6.142 2.478 0.310) 6.630 7.530 ( 2.035 7.840 -1.780) 8.293 8.223 ( -1.771 -7.489 -8.048) 11.135 11.939 ( 2.090 0.712 0.025) 2.208 12.020 ( 2.610 -0.533 0.359) 2.688 12.479 ( -1.220 1.727 -0.358) 2.144 12.744 ( -1.872 -1.999 -0.830) 2.862 12.976 ( 4.078 1.232 0.826) 4.339 13.159 ( 4.572 -0.991 -0.012) 4.678 13.836 ( -4.366 4.055 0.670) 5.996 14.085 ( -3.666 -1.795 -1.896) 4.501 16.768 ( 2.858 -0.732 -2.921) 4.151 16.797 ( 0.971 -0.714 -0.031) 1.205 16.968 ( -0.117 1.316 -0.883) 1.589 17.124 ( -1.144 -0.497 1.617) 2.043 17.202 ( 1.054 0.059 -0.167) 1.069 17.258 ( 0.034 -2.797 3.709) 4.646 17.710 ( -0.349 1.004 0.120) 1.069 17.787 ( 0.519 -0.498 -0.313) 0.785 18.580 ( -2.382 2.515 -0.916) 3.583 18.676 ( -1.094 0.413 -0.580) 1.306 18.818 ( 0.482 1.265 1.009) 1.688 18.919 ( -0.677 -0.589 -1.934) 2.132 28.186 ( 1.254 -0.735 1.536) 2.115 28.225 ( 1.303 -0.699 -1.164) 1.882 28.312 ( -2.109 0.422 9.247) 9.494 28.472 ( -0.415 -0.952 0.278) 1.075 29.845 ( -1.423 1.051 -1.790) 2.517 29.932 ( 3.342 0.053 -2.659) 4.271 30.313 ( -0.429 2.391 -0.705) 2.529 30.950 ( -2.019 -6.286 4.428) 7.950 32.033 ( 0.876 -0.931 0.400) 1.339 32.089 ( 2.116 0.151 0.484) 2.176 32.778 ( -1.076 5.406 -2.390) 6.008 33.202 ( -2.675 -9.350 -3.415) 10.307 33.558 ( -4.417 6.501 -2.433) 8.227 34.145 ( -1.237 -1.416 -2.394) 3.045 34.310 ( -1.528 21.144 -1.235) 21.235 35.980 ( 35.537 -39.827 8.148) 53.995 ======================= Grid point 11 (8/104) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 14.096 12.011 10.610) 21.344 1.117 ( 17.120 14.063 8.883) 23.870 1.568 ( 5.157 8.020 2.361) 9.822 1.692 ( 1.469 5.293 3.290) 6.403 2.295 ( 5.158 7.043 0.623) 8.752 2.417 ( 4.321 -3.260 0.429) 5.430 2.472 ( 7.640 1.254 -0.394) 7.753 2.652 ( 6.706 4.384 -6.565) 10.358 2.802 ( 13.086 -3.565 3.323) 13.964 2.996 ( -0.411 -9.760 3.952) 10.538 3.134 ( -3.054 -4.672 7.249) 9.149 3.280 ( -7.686 0.950 4.198) 8.809 3.364 ( -1.595 -5.870 -2.894) 6.736 3.411 ( -3.234 -5.890 -0.815) 6.768 3.490 ( 4.106 -3.191 0.667) 5.243 3.683 ( 3.200 3.721 5.747) 7.558 3.756 ( 3.076 7.630 0.287) 8.232 3.792 ( 2.466 -0.872 5.791) 6.355 4.029 ( -2.850 5.682 2.312) 6.764 4.140 ( 0.242 9.098 1.972) 9.312 4.227 ( 9.545 0.496 9.678) 13.602 4.333 ( 1.755 -1.213 -0.748) 2.261 4.465 ( 7.157 0.127 1.192) 7.256 4.646 ( 1.215 0.837 -2.561) 2.955 4.719 ( 6.773 3.197 1.880) 7.722 4.929 ( 1.466 0.077 -1.693) 2.241 5.010 ( 3.795 0.512 6.181) 7.271 5.140 ( 0.262 0.201 -0.914) 0.972 5.188 ( -2.174 -6.180 -3.111) 7.252 5.303 ( 1.371 2.554 1.617) 3.320 5.438 ( -0.255 2.180 -5.978) 6.368 5.492 ( -0.158 -1.109 2.484) 2.725 5.562 ( 0.211 -1.773 0.463) 1.844 5.646 ( 2.398 -0.620 -2.214) 3.322 5.734 ( -2.994 1.994 0.869) 3.701 5.819 ( -0.838 -0.169 -0.751) 1.138 5.967 ( -4.802 1.766 -2.839) 5.851 5.992 ( -4.047 -3.804 -2.374) 6.041 6.085 ( -1.832 -4.391 0.329) 4.769 6.103 ( -9.914 -0.442 1.048) 9.979 6.261 ( -0.709 -2.752 -1.612) 3.267 6.325 ( -1.244 -3.427 -0.374) 3.665 6.516 ( -10.265 -0.118 -1.860) 10.433 6.600 ( -8.720 3.870 -4.202) 10.425 6.690 ( -1.570 2.134 0.432) 2.685 6.795 ( -4.857 -1.494 -0.129) 5.083 7.543 ( 0.994 3.105 -2.354) 4.021 8.011 ( -11.762 -5.827 -10.075) 16.547 11.993 ( 3.548 0.647 -0.137) 3.609 12.089 ( 4.144 -0.835 0.754) 4.294 12.441 ( -2.631 1.673 0.050) 3.118 12.688 ( -2.965 -1.947 -1.237) 3.757 13.094 ( 7.081 0.832 1.808) 7.355 13.269 ( 7.273 -0.713 -0.693) 7.340 13.775 ( -4.114 2.714 2.599) 5.572 13.967 ( -6.504 -1.246 -2.976) 7.260 16.794 ( 2.565 -0.213 -3.135) 4.056 16.828 ( 2.455 -0.246 0.164) 2.473 16.971 ( 0.534 0.441 0.518) 0.864 17.125 ( -0.366 -0.500 1.583) 1.700 17.207 ( -0.663 0.192 -0.071) 0.694 17.274 ( -0.916 -2.562 3.146) 4.159 17.706 ( -0.088 0.875 0.107) 0.886 17.797 ( 0.608 -1.035 -0.614) 1.348 18.558 ( -0.296 0.464 0.305) 0.629 18.648 ( -1.374 1.347 -0.008) 1.924 18.834 ( 0.376 0.678 0.480) 0.912 18.883 ( -1.098 0.252 -2.230) 2.498 28.234 ( 2.317 -0.950 1.809) 3.089 28.245 ( 2.307 -0.538 -2.309) 3.308 28.333 ( -2.626 1.021 7.327) 7.850 28.462 ( -1.041 -0.748 0.383) 1.338 29.804 ( -1.587 1.246 -0.967) 2.237 29.964 ( 2.087 -0.749 -1.649) 2.764 30.298 ( -0.460 2.551 -0.676) 2.679 30.926 ( -5.244 -6.022 5.704) 9.814 32.069 ( 2.177 -2.330 0.671) 3.259 32.148 ( 2.866 0.082 1.805) 3.389 32.719 ( -1.404 5.697 -4.638) 7.480 33.105 ( -5.461 -3.790 -2.487) 7.097 33.505 ( 1.293 0.153 -0.663) 1.461 34.092 ( -0.592 -2.250 -5.492) 5.964 34.374 ( 5.376 19.655 -0.741) 20.391 36.405 ( 11.794 -26.402 0.898) 28.931 ======================= Grid point 12 (9/104) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 9.290 8.066 7.536) 14.427 1.346 ( 1.580 19.042 0.943) 19.131 1.703 ( 8.415 -0.716 5.369) 10.007 1.819 ( 7.968 1.669 6.072) 10.156 2.360 ( -5.214 -4.294 -4.862) 8.323 2.371 ( 4.740 2.729 -5.509) 7.763 2.549 ( 3.801 0.318 -3.236) 5.002 2.724 ( 0.973 -7.276 -1.423) 7.478 2.893 ( -4.343 2.061 -1.525) 5.043 3.067 ( -2.993 5.676 -0.339) 6.425 3.109 ( 1.534 -1.603 5.036) 5.503 3.257 ( 2.557 -11.688 2.153) 12.157 3.379 ( 3.216 -5.911 0.558) 6.752 3.434 ( 5.571 -0.101 6.703) 8.717 3.525 ( -1.533 -3.603 1.024) 4.047 3.738 ( -5.735 5.168 2.090) 7.998 3.806 ( 5.386 0.879 -0.956) 5.541 3.944 ( 4.981 1.835 8.504) 10.025 3.964 ( -1.617 5.008 -0.063) 5.263 4.182 ( 0.671 1.956 -2.164) 2.993 4.414 ( 7.403 0.278 8.645) 11.385 4.513 ( 8.662 1.567 7.804) 11.764 4.577 ( 2.483 2.273 2.209) 4.026 4.681 ( 6.464 2.476 -4.361) 8.181 4.822 ( 3.977 6.277 -0.380) 7.441 4.953 ( 0.333 1.666 0.988) 1.966 5.063 ( -6.160 1.047 -2.180) 6.617 5.109 ( -3.826 0.262 1.007) 3.965 5.207 ( 8.987 -0.779 0.518) 9.036 5.326 ( 1.562 -0.883 1.844) 2.573 5.353 ( 1.059 -1.388 -4.931) 5.231 5.522 ( -3.320 -0.544 -2.589) 4.245 5.582 ( 0.814 0.475 5.466) 5.547 5.665 ( 0.739 0.834 -1.387) 1.779 5.712 ( 1.069 -0.515 -0.585) 1.322 5.786 ( -4.266 -2.686 -3.118) 5.927 5.873 ( -8.368 -0.814 -1.605) 8.560 5.895 ( -1.961 -2.646 -0.355) 3.312 5.964 ( 2.641 0.183 -0.864) 2.784 6.064 ( 0.451 -2.965 0.287) 3.012 6.213 ( -9.964 -3.962 -5.975) 12.276 6.274 ( -4.011 -3.152 -0.272) 5.109 6.285 ( -7.706 -0.679 1.951) 7.979 6.496 ( 3.523 5.232 -0.509) 6.328 6.682 ( 0.009 3.895 0.161) 3.898 6.711 ( -4.141 -1.204 -0.207) 4.318 7.515 ( -4.156 0.519 -1.124) 4.337 7.684 ( -10.956 -4.312 -9.365) 15.044 12.059 ( 3.322 0.654 -0.229) 3.394 12.172 ( 3.565 -1.169 0.816) 3.839 12.390 ( -2.682 1.600 0.239) 3.132 12.622 ( -2.755 -1.922 -1.093) 3.532 13.251 ( 7.253 0.325 2.150) 7.572 13.401 ( 7.133 -0.898 -1.227) 7.293 13.717 ( -4.555 1.975 2.768) 5.684 13.811 ( -6.881 -0.383 -2.960) 7.501 16.808 ( 1.402 0.305 -2.184) 2.613 16.887 ( 3.214 -0.900 0.243) 3.347 16.993 ( 1.186 0.883 0.839) 1.700 17.130 ( -0.047 -0.492 0.022) 0.495 17.173 ( -2.866 1.006 0.779) 3.136 17.288 ( -0.045 -2.950 2.256) 3.714 17.709 ( 0.273 0.876 0.025) 0.918 17.794 ( -0.294 -0.649 -0.778) 1.055 18.560 ( 0.193 -0.511 -0.189) 0.577 18.632 ( -0.808 0.659 1.348) 1.704 18.823 ( -0.700 0.612 -1.963) 2.172 18.863 ( 0.010 1.093 0.168) 1.106 28.268 ( 2.140 -0.364 -2.397) 3.234 28.292 ( 1.362 -1.180 2.394) 2.997 28.347 ( -0.319 1.372 3.628) 3.892 28.437 ( -1.964 -0.445 0.211) 2.025 29.773 ( -1.009 1.295 -0.362) 1.681 29.982 ( 0.960 -1.437 -0.681) 1.857 30.288 ( -0.118 2.497 -0.369) 2.527 30.861 ( -5.159 -5.120 3.485) 8.061 32.116 ( 1.971 -2.916 0.642) 3.578 32.203 ( 1.108 -1.616 1.771) 2.641 32.677 ( 0.582 5.693 -3.053) 6.487 32.973 ( -5.260 4.058 -2.760) 7.194 33.582 ( 4.523 -7.005 2.872) 8.819 34.028 ( -0.654 -4.932 -6.874) 8.485 34.449 ( 2.788 22.445 -0.237) 22.619 36.545 ( 4.173 -18.800 -0.048) 19.257 ======================= Grid point 13 (10/104) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 17.130 0.000) 17.130 1.442 ( 0.000 7.268 0.000) 7.268 1.795 ( 0.000 2.027 0.000) 2.027 2.060 ( -0.000 -1.988 -0.000) 1.988 2.178 ( 0.000 -5.385 0.000) 5.385 2.410 ( -0.000 2.765 0.000) 2.765 2.554 ( 0.000 -2.645 0.000) 2.645 2.716 ( 0.000 -8.492 0.000) 8.492 2.849 ( 0.000 6.522 0.000) 6.522 2.990 ( 0.000 0.520 -0.000) 0.520 3.139 ( 0.000 3.102 0.000) 3.102 3.375 ( -0.000 -10.771 -0.000) 10.771 3.398 ( -0.000 -4.573 0.000) 4.573 3.444 ( 0.000 -9.275 -0.000) 9.275 3.611 ( -0.000 2.877 -0.000) 2.877 3.628 ( 0.000 10.002 0.000) 10.002 3.871 ( 0.000 -4.531 0.000) 4.531 3.951 ( 0.000 7.093 0.000) 7.093 4.022 ( 0.000 0.877 0.000) 0.877 4.191 ( 0.000 1.530 0.000) 1.530 4.571 ( 0.000 2.784 0.000) 2.784 4.593 ( -0.000 -2.929 -0.000) 2.929 4.628 ( 0.000 1.674 0.000) 1.674 4.777 ( -0.000 4.397 0.000) 4.397 4.897 ( 0.000 3.278 0.000) 3.278 4.932 ( 0.000 2.689 0.000) 2.689 4.944 ( -0.000 7.271 -0.000) 7.271 5.019 ( -0.000 3.045 0.000) 3.045 5.304 ( 0.000 -4.170 0.000) 4.170 5.351 ( 0.000 -1.444 0.000) 1.444 5.445 ( -0.000 -1.769 0.000) 1.769 5.478 ( 0.000 1.808 0.000) 1.808 5.561 ( 0.000 -2.979 0.000) 2.979 5.639 ( 0.000 1.247 0.000) 1.247 5.695 ( 0.000 -0.764 -0.000) 0.764 5.764 ( -0.000 0.031 -0.000) 0.031 5.770 ( 0.000 -1.737 0.000) 1.737 5.932 ( 0.000 3.684 0.000) 3.684 5.947 ( -0.000 -6.707 -0.000) 6.707 6.063 ( 0.000 -4.395 0.000) 4.395 6.073 ( -0.000 -5.259 0.000) 5.259 6.204 ( 0.000 0.336 -0.000) 0.336 6.232 ( 0.000 -1.122 0.000) 1.122 6.587 ( 0.000 2.631 0.000) 2.631 6.666 ( 0.000 -0.303 0.000) 0.303 6.684 ( 0.000 4.509 -0.000) 4.509 7.385 ( 0.000 -0.005 0.000) 0.005 7.580 ( 0.000 -3.601 0.000) 3.601 12.093 ( 0.000 0.680 0.000) 0.680 12.213 ( 0.000 -1.334 0.000) 1.334 12.362 ( 0.000 1.588 0.000) 1.588 12.587 ( 0.000 -1.915 0.000) 1.915 13.347 ( 0.000 -0.224 0.000) 0.224 13.476 ( 0.000 -1.410 0.000) 1.410 13.674 ( -0.000 2.205 0.000) 2.205 13.715 ( -0.000 0.319 0.000) 0.319 16.812 ( 0.000 0.431 -0.000) 0.431 16.924 ( 0.000 -1.799 0.000) 1.799 17.017 ( 0.000 1.739 0.000) 1.739 17.115 ( 0.000 0.530 0.000) 0.530 17.151 ( 0.000 0.339 0.000) 0.339 17.299 ( 0.000 -3.256 0.000) 3.256 17.713 ( 0.000 1.097 0.000) 1.097 17.784 ( 0.000 -0.380 0.000) 0.380 18.560 ( 0.000 -0.117 0.000) 0.117 18.633 ( 0.000 -0.868 0.000) 0.868 18.805 ( 0.000 1.561 0.000) 1.561 18.866 ( 0.000 0.913 -0.000) 0.913 28.279 ( 0.000 -0.322 -0.000) 0.322 28.311 ( -0.000 -0.384 0.000) 0.384 28.383 ( 0.000 0.007 0.000) 0.007 28.399 ( 0.000 0.274 0.000) 0.274 29.762 ( 0.000 1.280 0.000) 1.280 29.989 ( 0.000 -1.716 0.000) 1.716 30.286 ( 0.000 2.392 0.000) 2.392 30.822 ( 0.000 -4.543 0.000) 4.543 32.139 ( 0.000 -2.384 0.000) 2.384 32.219 ( 0.000 -3.508 -0.000) 3.508 32.676 ( 0.000 6.206 0.000) 6.206 32.905 ( 0.000 6.094 0.000) 6.094 33.653 ( 0.000 -9.789 0.000) 9.789 33.982 ( 0.000 -5.078 0.000) 5.078 34.473 ( 0.000 23.747 0.000) 23.747 36.581 ( 0.000 -16.812 0.000) 16.812 ======================= Grid point 18 (11/104) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 20.106 0.000) 20.106 1.108 ( 0.000 25.884 0.000) 25.884 1.522 ( 0.000 -8.113 0.000) 8.113 1.806 ( 0.000 17.862 0.000) 17.862 2.163 ( 0.000 17.242 0.000) 17.242 2.218 ( 0.000 -8.468 0.000) 8.468 2.326 ( 0.000 -3.648 0.000) 3.648 2.593 ( 0.000 1.553 0.000) 1.553 2.639 ( 0.000 11.980 0.000) 11.980 2.842 ( 0.000 9.417 0.000) 9.417 3.079 ( 0.000 -7.898 0.000) 7.898 3.211 ( 0.000 -14.362 0.000) 14.362 3.232 ( 0.000 -4.562 0.000) 4.562 3.471 ( 0.000 -8.999 0.000) 8.999 3.552 ( 0.000 1.884 0.000) 1.884 3.649 ( 0.000 -1.638 0.000) 1.638 3.728 ( 0.000 5.381 0.000) 5.381 3.801 ( 0.000 4.106 0.000) 4.106 4.032 ( 0.000 4.916 0.000) 4.916 4.142 ( 0.000 -0.567 0.000) 0.567 4.226 ( 0.000 -0.824 0.000) 0.824 4.257 ( 0.000 9.949 0.000) 9.949 4.419 ( 0.000 -4.674 0.000) 4.674 4.590 ( 0.000 5.096 0.000) 5.096 4.661 ( 0.000 -2.333 0.000) 2.333 4.683 ( 0.000 -0.243 0.000) 0.243 4.930 ( 0.000 -6.205 0.000) 6.205 5.024 ( 0.000 -21.406 0.000) 21.406 5.231 ( 0.000 8.580 0.000) 8.580 5.256 ( 0.000 5.289 0.000) 5.289 5.383 ( 0.000 -3.234 0.000) 3.234 5.471 ( 0.000 -1.051 0.000) 1.051 5.541 ( 0.000 -4.352 0.000) 4.352 5.651 ( 0.000 -8.429 0.000) 8.429 5.704 ( 0.000 5.185 0.000) 5.185 5.911 ( 0.000 -1.113 0.000) 1.113 6.019 ( 0.000 1.320 0.000) 1.320 6.053 ( 0.000 2.824 0.000) 2.824 6.155 ( 0.000 1.688 0.000) 1.688 6.211 ( 0.000 -5.581 0.000) 5.581 6.268 ( 0.000 -3.717 0.000) 3.717 6.387 ( 0.000 -6.363 0.000) 6.363 6.547 ( 0.000 2.008 0.000) 2.008 6.660 ( 0.000 -1.342 0.000) 1.342 7.002 ( 0.000 2.150 0.000) 2.150 7.013 ( 0.000 2.019 0.000) 2.019 7.758 ( 0.000 11.917 0.000) 11.917 8.139 ( 0.000 -6.117 0.000) 6.117 11.939 ( 0.000 1.113 0.000) 1.113 11.981 ( 0.000 -0.782 0.000) 0.782 12.545 ( 0.000 3.352 0.000) 3.352 12.704 ( 0.000 -3.690 0.000) 3.690 12.976 ( 0.000 2.371 0.000) 2.371 13.078 ( 0.000 -2.127 0.000) 2.127 13.944 ( 0.000 2.512 0.000) 2.512 14.072 ( 0.000 -3.171 0.000) 3.171 16.747 ( 0.000 0.198 0.000) 0.198 16.768 ( 0.000 -0.922 0.000) 0.922 17.024 ( 0.000 2.348 0.000) 2.348 17.110 ( 0.000 -1.580 0.000) 1.580 17.194 ( 0.000 0.193 0.000) 0.193 17.209 ( 0.000 -0.570 0.000) 0.570 17.739 ( 0.000 1.391 0.000) 1.391 17.782 ( 0.000 -0.524 0.000) 0.524 18.655 ( 0.000 0.806 0.000) 0.806 18.683 ( 0.000 -0.437 0.000) 0.437 18.835 ( 0.000 1.752 0.000) 1.752 18.909 ( 0.000 -1.525 0.000) 1.525 28.162 ( 0.000 0.271 0.000) 0.271 28.198 ( 0.000 -1.129 0.000) 1.129 28.332 ( 0.000 3.097 0.000) 3.097 28.443 ( 0.000 -2.022 0.000) 2.022 29.907 ( 0.000 0.773 0.000) 0.773 29.910 ( 0.000 1.092 0.000) 1.092 30.404 ( 0.000 6.083 0.000) 6.083 30.773 ( 0.000 -9.922 0.000) 9.922 32.032 ( 0.000 -0.112 0.000) 0.112 32.045 ( 0.000 -0.685 0.000) 0.685 32.909 ( 0.000 6.419 0.000) 6.419 33.161 ( 0.000 -5.100 0.000) 5.100 33.775 ( 0.000 7.687 0.000) 7.687 34.064 ( 0.000 -5.506 0.000) 5.506 34.760 ( 0.000 4.362 0.000) 4.362 34.949 ( 0.000 -4.037 0.000) 4.037 ======================= Grid point 19 (12/104) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 7.628 18.311 7.916) 21.358 1.162 ( 5.963 20.658 2.764) 21.678 1.637 ( 5.514 -4.762 5.775) 9.297 1.820 ( 2.623 13.663 -2.444) 14.126 2.262 ( 5.845 -8.542 -1.070) 10.405 2.278 ( 5.654 5.621 2.701) 8.417 2.393 ( 4.585 10.066 3.960) 11.749 2.605 ( 3.419 -1.509 4.043) 5.506 2.668 ( -0.046 5.888 1.651) 6.115 2.813 ( 3.135 6.460 -8.669) 11.257 3.108 ( 0.592 -2.378 2.566) 3.549 3.197 ( 0.594 -13.097 -3.005) 13.450 3.261 ( 1.812 -5.693 0.294) 5.982 3.419 ( -1.867 -4.772 -7.336) 8.948 3.492 ( -5.189 1.429 -0.149) 5.384 3.632 ( -2.186 -3.688 5.624) 7.071 3.769 ( 2.360 5.322 3.153) 6.621 3.851 ( 2.382 3.888 1.039) 4.677 4.061 ( 2.014 4.415 8.454) 9.748 4.159 ( -2.924 0.698 0.410) 3.033 4.214 ( 1.078 3.170 7.382) 8.106 4.338 ( -0.476 0.115 -1.171) 1.269 4.352 ( 5.495 3.447 -4.391) 7.833 4.624 ( 1.442 -0.028 0.297) 1.473 4.671 ( 4.667 3.824 1.166) 6.145 4.801 ( 5.877 -3.431 5.844) 8.970 4.900 ( -1.452 -5.396 -1.561) 5.802 5.013 ( -0.151 -15.717 -1.300) 15.771 5.230 ( -0.525 7.337 -0.013) 7.355 5.339 ( 3.958 4.522 3.183) 6.800 5.383 ( 1.556 -2.274 0.607) 2.822 5.473 ( -0.247 -1.979 1.513) 2.504 5.541 ( 1.049 -3.154 -3.928) 5.146 5.642 ( 0.721 0.910 -2.934) 3.155 5.754 ( 2.546 -2.566 0.447) 3.642 5.881 ( -4.016 -0.601 1.269) 4.254 6.004 ( -2.369 -0.543 0.668) 2.520 6.018 ( -2.598 1.172 0.193) 2.856 6.093 ( -3.784 -0.074 1.670) 4.137 6.205 ( -4.003 -4.688 -0.881) 6.227 6.270 ( -0.581 -2.209 0.031) 2.285 6.316 ( -4.360 -3.455 -2.308) 6.023 6.580 ( 1.431 -0.103 -0.009) 1.435 6.628 ( -1.351 -1.634 -1.470) 2.580 6.898 ( -8.278 3.559 -2.056) 9.243 6.958 ( -6.762 1.471 0.518) 6.939 7.722 ( -1.973 10.064 -3.845) 10.953 8.080 ( -3.723 -7.061 -6.978) 10.602 11.958 ( 1.991 1.129 0.161) 2.295 12.004 ( 2.335 -0.937 0.296) 2.533 12.531 ( -1.479 3.236 -0.138) 3.560 12.685 ( -1.750 -3.561 -0.601) 4.013 13.016 ( 4.050 2.478 0.437) 4.768 13.124 ( 4.616 -2.248 0.235) 5.140 13.907 ( -3.668 3.125 0.501) 4.844 14.035 ( -3.444 -2.920 -1.107) 4.649 16.761 ( 2.003 -0.027 -1.263) 2.368 16.779 ( 1.156 -0.845 0.184) 1.443 17.011 ( -0.519 2.560 -1.269) 2.904 17.105 ( -0.588 -1.477 0.664) 1.723 17.202 ( 0.084 -0.027 0.740) 0.745 17.218 ( 0.266 -1.215 1.443) 1.905 17.736 ( -0.255 1.376 -0.084) 1.402 17.779 ( 0.000 -0.521 -0.422) 0.670 18.626 ( -1.872 1.998 -1.086) 2.946 18.676 ( -0.686 -0.358 -0.120) 0.783 18.841 ( 0.142 1.154 0.762) 1.390 18.899 ( -0.344 -1.335 -1.370) 1.944 28.178 ( 1.248 0.057 0.899) 1.539 28.207 ( 1.221 -0.996 -0.629) 1.696 28.345 ( -0.401 2.370 3.282) 4.068 28.442 ( -0.328 -1.909 0.566) 2.018 29.876 ( -1.919 1.798 0.112) 2.632 29.930 ( 1.031 -0.432 -0.569) 1.254 30.400 ( -0.199 6.304 -0.454) 6.324 30.776 ( -1.152 -10.009 2.496) 10.379 32.035 ( 0.849 0.866 0.422) 1.284 32.083 ( 2.406 -0.770 0.952) 2.700 32.876 ( -1.122 4.432 -3.284) 5.630 33.063 ( -4.602 -5.177 -6.053) 9.199 33.729 ( -3.650 9.286 -2.041) 10.184 34.059 ( -0.210 -5.891 -3.532) 6.872 34.692 ( 1.541 16.141 2.818) 16.458 35.377 ( 24.536 -21.568 9.969) 34.156 ======================= Grid point 20 (13/104) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 9.777 14.135 9.100) 19.447 1.403 ( 15.378 13.344 7.840) 21.817 1.739 ( 3.061 0.960 1.734) 3.647 1.842 ( 0.105 14.719 -2.222) 14.886 2.309 ( -1.543 -8.805 -1.028) 8.998 2.411 ( 4.169 0.329 -2.240) 4.744 2.459 ( 7.395 -0.383 1.847) 7.632 2.622 ( -2.305 -6.787 0.453) 7.182 2.817 ( 5.375 7.756 -3.796) 10.171 2.887 ( 6.583 -3.494 5.273) 9.130 3.104 ( 2.242 -1.434 -1.003) 2.844 3.220 ( 5.047 -3.617 -3.343) 7.052 3.249 ( -5.049 -4.775 -0.908) 7.008 3.326 ( -1.814 -1.380 -1.928) 2.985 3.432 ( -0.180 1.325 3.075) 3.353 3.703 ( 3.124 -2.643 8.160) 9.128 3.839 ( 1.117 3.754 4.701) 6.119 3.890 ( 1.408 3.578 -0.017) 3.845 4.114 ( -1.184 2.830 -1.882) 3.599 4.234 ( 4.145 -0.390 8.505) 9.469 4.271 ( -0.769 3.307 2.774) 4.384 4.328 ( 4.178 0.887 7.104) 8.289 4.510 ( 9.139 5.409 1.425) 10.715 4.684 ( 3.848 2.781 0.793) 4.813 4.798 ( 6.789 4.238 1.812) 8.205 4.888 ( 3.796 -4.344 0.145) 5.771 4.974 ( 4.554 -6.459 5.096) 9.404 5.041 ( 5.571 -5.120 0.090) 7.567 5.198 ( -2.718 5.738 -1.060) 6.437 5.321 ( -1.254 0.220 -3.991) 4.189 5.425 ( -2.481 -3.870 -7.195) 8.538 5.505 ( 0.572 -0.453 5.668) 5.715 5.553 ( 3.785 2.068 2.994) 5.250 5.656 ( 2.444 0.668 -1.781) 3.097 5.746 ( -2.543 -1.964 -1.651) 3.612 5.793 ( -5.269 0.154 0.901) 5.348 5.964 ( -2.004 -0.595 -1.287) 2.455 5.989 ( -4.608 -1.231 1.430) 4.979 6.000 ( -2.898 0.470 -2.473) 3.838 6.096 ( -7.896 -1.142 1.065) 8.049 6.203 ( -3.930 -2.773 -1.145) 4.944 6.239 ( -2.341 -3.880 -0.886) 4.617 6.526 ( -6.538 0.985 -2.989) 7.256 6.604 ( -2.872 -3.277 -1.054) 4.483 6.727 ( -4.957 3.617 -2.816) 6.752 6.818 ( -7.020 1.188 0.985) 7.188 7.633 ( -3.019 5.400 -5.377) 8.197 7.881 ( -9.782 -6.404 -9.539) 15.089 12.012 ( 3.413 1.174 0.168) 3.613 12.067 ( 3.775 -1.306 0.586) 4.038 12.490 ( -2.731 3.017 -0.121) 4.071 12.633 ( -2.952 -3.328 -0.952) 4.549 13.127 ( 6.933 2.297 0.950) 7.366 13.238 ( 7.116 -2.276 -0.183) 7.474 13.835 ( -4.732 2.850 1.508) 5.726 13.934 ( -5.886 -1.942 -1.720) 6.432 16.793 ( 2.586 0.154 -1.817) 3.164 16.815 ( 2.591 -0.836 -0.091) 2.724 17.000 ( 0.319 2.319 -0.225) 2.351 17.103 ( -0.123 -1.735 0.592) 1.837 17.208 ( -0.361 -0.052 1.197) 1.252 17.229 ( -0.711 -1.491 1.981) 2.579 17.730 ( -0.088 1.340 -0.314) 1.379 17.778 ( 0.320 -0.885 -0.581) 1.106 18.588 ( -1.274 2.197 -0.555) 2.600 18.656 ( -1.404 -0.417 0.207) 1.479 18.847 ( 0.071 0.652 -0.031) 0.656 18.880 ( -0.335 -0.582 -1.112) 1.300 28.220 ( 2.165 -0.358 1.212) 2.507 28.231 ( 2.208 -0.679 -1.318) 2.660 28.363 ( -0.972 1.769 3.900) 4.391 28.438 ( -0.842 -1.543 0.889) 1.970 29.841 ( -1.839 2.297 0.108) 2.945 29.938 ( 0.234 -1.829 -0.233) 1.859 30.389 ( -0.492 6.503 -0.441) 6.536 30.760 ( -3.188 -9.633 3.128) 10.618 32.058 ( 0.967 1.095 0.518) 1.550 32.136 ( 1.844 -1.320 1.342) 2.634 32.820 ( -1.078 4.121 -4.054) 5.881 32.994 ( 0.576 -5.524 -1.193) 5.680 33.626 ( -3.291 9.287 -5.027) 11.061 33.990 ( -1.906 -6.907 -7.103) 10.089 34.819 ( 6.621 22.538 4.136) 23.852 35.826 ( 15.299 -27.804 6.486) 32.392 ======================= Grid point 21 (14/104) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 6.947 10.436 6.131) 13.955 1.737 ( 5.781 3.449 1.847) 6.980 1.775 ( -0.223 15.173 3.766) 15.635 1.855 ( 10.252 8.756 0.510) 13.492 2.202 ( -5.424 -10.053 -6.331) 13.060 2.457 ( 3.271 2.315 0.516) 4.041 2.542 ( -5.337 -3.623 -2.624) 6.964 2.621 ( 3.031 0.542 -0.241) 3.089 2.879 ( 3.777 -13.293 0.858) 13.846 2.928 ( 3.839 -1.597 0.644) 4.207 3.116 ( -4.864 -1.454 -1.785) 5.381 3.204 ( 0.298 1.042 0.234) 1.109 3.237 ( 1.893 -4.881 -0.676) 5.279 3.339 ( -1.668 -5.535 0.747) 5.829 3.569 ( 9.411 7.014 5.523) 12.972 3.800 ( -0.058 -1.387 1.975) 2.414 3.873 ( -1.330 5.378 1.965) 5.879 3.934 ( 3.273 -0.258 6.419) 7.209 4.094 ( 1.320 4.252 -2.402) 5.059 4.194 ( -2.661 -0.331 -1.862) 3.265 4.422 ( 4.690 0.759 10.060) 11.125 4.525 ( 6.307 -1.516 7.759) 10.113 4.679 ( 4.328 7.778 2.115) 9.149 4.779 ( 9.008 6.679 -2.474) 11.483 4.916 ( 5.675 2.876 -0.228) 6.366 4.984 ( 1.700 -2.991 -0.764) 3.524 5.046 ( 0.831 0.963 -0.758) 1.480 5.140 ( -1.578 2.614 2.276) 3.808 5.207 ( 8.710 -0.917 4.101) 9.670 5.292 ( -1.491 0.079 -0.352) 1.534 5.312 ( 1.282 -2.758 -4.698) 5.597 5.540 ( -2.243 0.895 0.430) 2.453 5.599 ( -2.874 1.157 3.503) 4.676 5.630 ( -2.600 -5.544 -3.277) 6.945 5.696 ( 0.986 -1.736 -0.566) 2.076 5.738 ( -1.453 -1.681 -1.661) 2.774 5.835 ( -8.189 2.310 0.586) 8.529 5.907 ( -3.671 2.087 -3.819) 5.693 5.951 ( -0.291 -1.376 -1.280) 1.901 6.023 ( -0.503 -1.367 0.852) 1.688 6.117 ( -6.176 -4.134 -1.629) 7.609 6.212 ( 0.283 -3.374 0.002) 3.386 6.317 ( -11.105 4.077 -0.387) 11.836 6.535 ( -0.389 -2.005 -0.254) 2.059 6.676 ( -1.270 -0.388 -1.049) 1.692 6.739 ( -2.048 -0.019 -0.526) 2.114 7.535 ( -4.314 1.336 -2.983) 5.413 7.601 ( -9.497 -3.019 -8.559) 13.136 12.078 ( 3.234 1.244 0.083) 3.466 12.142 ( 3.333 -1.661 0.627) 3.776 12.435 ( -2.696 2.789 -0.049) 3.880 12.569 ( -2.791 -3.152 -0.844) 4.294 13.270 ( 6.770 1.581 1.098) 7.038 13.367 ( 6.467 -2.336 -0.667) 6.909 13.760 ( -4.527 1.993 1.802) 5.264 13.804 ( -5.891 -0.343 -1.664) 6.131 16.819 ( 1.603 0.728 -1.617) 2.391 16.864 ( 2.400 -1.299 -0.305) 2.746 17.023 ( 1.722 1.962 0.755) 2.717 17.110 ( 0.398 -1.556 0.169) 1.615 17.193 ( -2.102 0.823 0.747) 2.377 17.233 ( -0.519 -2.000 1.826) 2.758 17.731 ( 0.401 1.183 -0.211) 1.267 17.777 ( 0.019 -0.933 -0.545) 1.080 18.570 ( -0.336 1.412 -0.214) 1.467 18.630 ( -1.578 -0.750 0.426) 1.799 18.842 ( -0.080 0.988 -0.906) 1.344 18.874 ( 0.038 -0.152 0.010) 0.157 28.260 ( 1.788 -0.249 -0.931) 2.031 28.271 ( 2.219 -0.779 0.518) 2.408 28.375 ( -0.514 1.350 2.650) 3.018 28.423 ( -1.475 -0.881 0.719) 1.863 29.813 ( -1.187 2.534 0.124) 2.801 29.937 ( -0.117 -2.858 0.011) 2.861 30.377 ( -0.395 6.282 -0.249) 6.299 30.718 ( -3.135 -8.439 1.885) 9.198 32.082 ( 1.256 -0.127 0.461) 1.344 32.157 ( -0.406 -2.625 0.635) 2.731 32.801 ( 1.245 6.113 -1.090) 6.333 33.004 ( -0.301 -1.974 0.224) 2.009 33.560 ( 0.193 4.779 -3.115) 5.708 33.893 ( -1.699 -8.001 -6.830) 10.656 34.952 ( 4.097 26.011 2.426) 26.443 36.061 ( 6.458 -26.689 2.739) 27.595 ======================= Grid point 22 (15/104) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -0.000 9.732 -0.000) 9.732 1.676 ( 0.000 12.457 0.000) 12.457 1.875 ( 0.000 2.994 -0.000) 2.994 2.048 ( 0.000 -7.035 0.000) 7.035 2.071 ( 0.000 7.745 -0.000) 7.745 2.427 ( -0.000 -2.654 0.000) 2.654 2.508 ( 0.000 -0.666 0.000) 0.666 2.630 ( 0.000 1.878 0.000) 1.878 2.911 ( 0.000 -2.544 0.000) 2.544 3.032 ( 0.000 -19.222 -0.000) 19.222 3.058 ( 0.000 5.444 0.000) 5.444 3.204 ( -0.000 1.897 0.000) 1.897 3.266 ( 0.000 -5.657 0.000) 5.657 3.275 ( -0.000 -6.437 -0.000) 6.437 3.689 ( 0.000 4.392 0.000) 4.392 3.805 ( 0.000 -0.104 0.000) 0.104 3.866 ( 0.000 8.347 -0.000) 8.347 4.006 ( 0.000 -1.202 0.000) 1.202 4.092 ( 0.000 4.946 0.000) 4.946 4.173 ( 0.000 -2.253 -0.000) 2.253 4.539 ( 0.000 -1.425 0.000) 1.425 4.630 ( 0.000 -1.828 -0.000) 1.828 4.681 ( 0.000 6.828 -0.000) 6.828 4.917 ( -0.000 -1.941 -0.000) 1.941 4.917 ( 0.000 7.292 0.000) 7.292 5.011 ( 0.000 2.970 0.000) 2.970 5.081 ( 0.000 4.238 0.000) 4.238 5.099 ( 0.000 8.380 0.000) 8.380 5.242 ( 0.000 -0.880 -0.000) 0.880 5.340 ( 0.000 -0.107 0.000) 0.107 5.385 ( -0.000 -3.996 0.000) 3.996 5.504 ( 0.000 -1.988 0.000) 1.988 5.515 ( 0.000 0.608 0.000) 0.608 5.614 ( 0.000 -11.729 0.000) 11.729 5.683 ( -0.000 1.735 0.000) 1.735 5.707 ( 0.000 1.627 -0.000) 1.627 5.788 ( 0.000 3.419 0.000) 3.419 5.852 ( 0.000 -1.342 0.000) 1.342 5.964 ( 0.000 -4.797 0.000) 4.797 5.980 ( -0.000 -4.194 0.000) 4.194 6.031 ( 0.000 5.160 0.000) 5.160 6.195 ( 0.000 -1.435 -0.000) 1.435 6.236 ( 0.000 2.768 0.000) 2.768 6.562 ( 0.000 -5.800 0.000) 5.800 6.652 ( 0.000 -0.697 0.000) 0.697 6.720 ( 0.000 -1.278 0.000) 1.278 7.413 ( 0.000 2.751 0.000) 2.751 7.515 ( 0.000 -2.314 0.000) 2.314 12.113 ( 0.000 1.278 0.000) 1.278 12.180 ( 0.000 -1.783 0.000) 1.783 12.406 ( 0.000 2.670 0.000) 2.670 12.534 ( 0.000 -3.086 0.000) 3.086 13.352 ( 0.000 0.845 0.000) 0.845 13.433 ( 0.000 -2.536 0.000) 2.536 13.719 ( 0.000 1.754 0.000) 1.754 13.728 ( -0.000 0.802 0.000) 0.802 16.826 ( 0.000 0.995 -0.000) 0.995 16.886 ( 0.000 -1.786 0.000) 1.786 17.053 ( 0.000 1.761 0.000) 1.761 17.113 ( 0.000 -0.784 0.000) 0.784 17.169 ( 0.000 1.255 0.000) 1.255 17.236 ( 0.000 -2.558 0.000) 2.558 17.736 ( 0.000 1.067 0.000) 1.067 17.773 ( 0.000 -0.698 0.000) 0.698 18.568 ( 0.000 0.946 0.000) 0.946 18.614 ( 0.000 -0.940 0.000) 0.940 18.836 ( 0.000 1.389 -0.000) 1.389 18.875 ( 0.000 -0.174 -0.000) 0.174 28.274 ( 0.000 -0.014 -0.000) 0.014 28.297 ( 0.000 -0.884 0.000) 0.884 28.389 ( 0.000 0.478 0.000) 0.478 28.403 ( 0.000 0.021 0.000) 0.021 29.802 ( 0.000 2.587 0.000) 2.587 29.936 ( 0.000 -3.251 0.000) 3.251 30.372 ( 0.000 6.079 0.000) 6.079 30.693 ( 0.000 -7.715 0.000) 7.715 32.101 ( 0.000 -0.943 0.000) 0.943 32.149 ( 0.000 -2.994 -0.000) 2.994 32.817 ( 0.000 6.995 0.000) 6.995 32.994 ( 0.000 1.002 0.000) 1.002 33.559 ( 0.000 1.158 0.000) 1.158 33.841 ( 0.000 -8.207 0.000) 8.207 35.001 ( 0.000 27.190 0.000) 27.190 36.130 ( 0.000 -25.845 0.000) 25.845 ======================= Grid point 27 (16/104) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 0.000 -14.586 0.000) 14.586 1.291 ( 0.000 14.586 0.000) 14.586 1.605 ( 0.000 -21.763 0.000) 21.763 1.605 ( 0.000 21.763 0.000) 21.763 2.227 ( 0.000 -4.983 0.000) 4.983 2.227 ( 0.000 4.983 0.000) 4.983 2.676 ( 0.000 -1.511 0.000) 1.511 2.676 ( 0.000 1.511 0.000) 1.511 2.753 ( 0.000 -21.511 0.000) 21.511 2.753 ( 0.000 21.511 0.000) 21.511 3.099 ( 0.000 -8.327 0.000) 8.327 3.099 ( 0.000 8.327 0.000) 8.327 3.164 ( 0.000 -15.975 0.000) 15.975 3.164 ( 0.000 15.975 0.000) 15.975 3.606 ( 0.000 -2.875 0.000) 2.875 3.606 ( 0.000 2.875 0.000) 2.875 3.816 ( 0.000 -2.319 0.000) 2.319 3.816 ( 0.000 2.319 0.000) 2.319 4.116 ( 0.000 -3.030 0.000) 3.030 4.116 ( 0.000 3.030 0.000) 3.030 4.279 ( 0.000 -6.455 0.000) 6.455 4.279 ( 0.000 6.455 0.000) 6.455 4.544 ( 0.000 -14.917 0.000) 14.917 4.544 ( 0.000 14.917 0.000) 14.917 4.680 ( 0.000 -4.383 0.000) 4.383 4.680 ( 0.000 4.383 0.000) 4.383 4.778 ( 0.000 -7.399 0.000) 7.399 4.778 ( 0.000 7.399 0.000) 7.399 5.327 ( 0.000 -2.803 0.000) 2.803 5.327 ( 0.000 2.803 0.000) 2.803 5.431 ( 0.000 -8.253 0.000) 8.253 5.431 ( 0.000 8.253 0.000) 8.253 5.490 ( 0.000 -4.226 0.000) 4.226 5.490 ( 0.000 4.226 0.000) 4.226 5.822 ( 0.000 -6.015 0.000) 6.015 5.822 ( 0.000 6.015 0.000) 6.015 6.095 ( 0.000 -4.852 0.000) 4.852 6.095 ( 0.000 4.852 0.000) 4.852 6.137 ( 0.000 -3.981 0.000) 3.981 6.137 ( 0.000 3.981 0.000) 3.981 6.268 ( 0.000 -4.578 0.000) 4.578 6.268 ( 0.000 4.578 0.000) 4.578 6.608 ( 0.000 -3.338 0.000) 3.338 6.608 ( 0.000 3.338 0.000) 3.338 7.030 ( 0.000 -0.372 0.000) 0.372 7.030 ( 0.000 0.372 0.000) 0.372 7.980 ( 0.000 -9.459 0.000) 9.459 7.980 ( 0.000 9.459 0.000) 9.459 11.962 ( 0.000 -1.057 0.000) 1.057 11.962 ( 0.000 1.057 0.000) 1.057 12.623 ( 0.000 -4.057 0.000) 4.057 12.623 ( 0.000 4.057 0.000) 4.057 13.028 ( 0.000 -2.603 0.000) 2.603 13.028 ( 0.000 2.603 0.000) 2.603 14.004 ( 0.000 -3.281 0.000) 3.281 14.004 ( 0.000 3.281 0.000) 3.281 16.753 ( 0.000 -0.507 0.000) 0.507 16.753 ( 0.000 0.507 0.000) 0.507 17.071 ( 0.000 -2.142 0.000) 2.142 17.071 ( 0.000 2.142 0.000) 2.142 17.199 ( 0.000 -0.348 0.000) 0.348 17.199 ( 0.000 0.348 0.000) 0.348 17.765 ( 0.000 -1.114 0.000) 1.114 17.765 ( 0.000 1.114 0.000) 1.114 18.671 ( 0.000 -0.695 0.000) 0.695 18.671 ( 0.000 0.695 0.000) 0.695 18.873 ( 0.000 -1.884 0.000) 1.884 18.873 ( 0.000 1.884 0.000) 1.884 28.176 ( 0.000 -0.971 0.000) 0.971 28.176 ( 0.000 0.971 0.000) 0.971 28.393 ( 0.000 -2.767 0.000) 2.767 28.393 ( 0.000 2.767 0.000) 2.767 29.918 ( 0.000 -0.199 0.000) 0.199 29.918 ( 0.000 0.199 0.000) 0.199 30.567 ( 0.000 -9.571 0.000) 9.571 30.567 ( 0.000 9.571 0.000) 9.571 32.034 ( 0.000 -0.335 0.000) 0.335 32.034 ( 0.000 0.335 0.000) 0.335 33.043 ( 0.000 -6.366 0.000) 6.366 33.043 ( 0.000 6.366 0.000) 6.366 33.931 ( 0.000 -7.313 0.000) 7.313 33.931 ( 0.000 7.313 0.000) 7.313 34.856 ( 0.000 -4.842 0.000) 4.842 34.856 ( 0.000 4.842 0.000) 4.842 ======================= Grid point 29 (17/104) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 3.552 -9.485 6.091) 11.819 1.339 ( 3.552 9.485 6.091) 11.819 1.692 ( 7.533 -15.154 1.386) 16.980 1.692 ( 7.533 15.154 1.386) 16.980 2.276 ( 2.952 -4.381 1.385) 5.461 2.276 ( 2.952 4.381 1.385) 5.461 2.598 ( -5.376 -2.420 -2.871) 6.558 2.598 ( -5.376 2.420 -2.871) 6.558 2.815 ( 4.744 -16.815 1.113) 17.507 2.815 ( 4.744 16.815 1.113) 17.507 3.067 ( 3.313 -10.836 -7.379) 13.522 3.067 ( 3.313 10.836 -7.379) 13.522 3.261 ( 3.822 -9.859 3.519) 11.144 3.261 ( 3.822 9.859 3.519) 11.144 3.539 ( -3.986 -3.718 -0.412) 5.466 3.539 ( -3.986 3.718 -0.412) 5.466 3.859 ( 2.207 -2.657 1.919) 3.951 3.859 ( 2.207 2.657 1.919) 3.951 4.139 ( -0.852 -2.540 6.610) 7.133 4.139 ( -0.852 2.540 6.610) 7.133 4.281 ( 0.432 -3.512 0.545) 3.580 4.281 ( 0.432 3.512 0.545) 3.580 4.548 ( 3.560 -10.845 -0.664) 11.433 4.548 ( 3.560 10.845 -0.664) 11.433 4.737 ( 0.962 -3.828 5.064) 6.421 4.737 ( 0.962 3.828 5.064) 6.421 4.812 ( 4.998 -5.496 -0.908) 7.484 4.812 ( 4.998 5.496 -0.908) 7.484 5.343 ( 2.028 -1.607 -1.919) 3.221 5.343 ( 2.028 1.607 -1.919) 3.221 5.419 ( -2.220 -4.935 2.425) 5.930 5.419 ( -2.220 4.935 2.425) 5.930 5.552 ( 4.924 -5.735 -0.260) 7.564 5.552 ( 4.924 5.735 -0.260) 7.564 5.814 ( -1.076 -5.077 0.068) 5.190 5.814 ( -1.076 5.077 0.068) 5.190 6.035 ( -5.792 -1.979 3.231) 6.921 6.035 ( -5.792 1.979 3.231) 6.921 6.109 ( -2.442 -3.604 -1.632) 4.649 6.109 ( -2.442 3.604 -1.632) 4.649 6.258 ( -1.271 -1.577 -2.001) 2.847 6.258 ( -1.271 1.577 -2.001) 2.847 6.598 ( -0.364 -1.500 -1.427) 2.103 6.598 ( -0.364 1.500 -1.427) 2.103 6.955 ( -7.202 -1.702 -0.657) 7.429 6.955 ( -7.202 1.702 -0.657) 7.429 7.918 ( -3.958 -8.825 -5.644) 11.198 7.918 ( -3.958 8.825 -5.644) 11.198 11.982 ( 2.080 -1.162 0.240) 2.394 11.982 ( 2.080 1.162 0.240) 2.394 12.606 ( -1.628 -3.935 -0.324) 4.271 12.606 ( -1.628 3.935 -0.324) 4.271 13.071 ( 4.340 -2.803 0.278) 5.174 13.071 ( 4.340 2.803 0.278) 5.174 13.971 ( -3.322 -3.200 -0.161) 4.615 13.971 ( -3.322 3.200 -0.161) 4.615 16.765 ( 1.473 -0.427 -0.360) 1.576 16.765 ( 1.473 0.427 -0.360) 1.576 17.064 ( -0.463 -2.427 -0.458) 2.513 17.064 ( -0.463 2.427 -0.458) 2.513 17.203 ( -0.014 -0.295 0.950) 0.995 17.203 ( -0.014 0.295 0.950) 0.995 17.762 ( -0.139 -1.114 -0.317) 1.167 17.762 ( -0.139 1.114 -0.317) 1.167 18.660 ( -0.914 -1.233 -0.507) 1.617 18.660 ( -0.914 1.233 -0.507) 1.617 18.869 ( -0.271 -1.521 -0.237) 1.563 18.869 ( -0.271 1.521 -0.237) 1.563 28.187 ( 1.240 -0.792 0.044) 1.472 28.187 ( 1.240 0.792 0.044) 1.472 28.397 ( -0.301 -2.485 1.348) 2.843 28.397 ( -0.301 2.485 1.348) 2.843 29.910 ( -0.870 -1.417 0.180) 1.672 29.910 ( -0.870 1.417 0.180) 1.672 30.568 ( -0.421 -9.710 0.666) 9.742 30.568 ( -0.421 9.710 0.666) 9.742 32.060 ( 1.913 -1.321 0.900) 2.493 32.060 ( 1.913 1.321 0.900) 2.493 32.967 ( -3.471 -4.505 -5.305) 7.777 32.967 ( -3.471 4.505 -5.305) 7.777 33.912 ( -1.772 -8.267 -2.416) 8.794 33.912 ( -1.772 8.267 -2.416) 8.794 35.009 ( 11.502 -15.727 6.489) 20.537 35.009 ( 11.502 15.727 6.489) 20.537 ======================= Grid point 31 (18/104) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 6.985 -5.541 8.788) 12.519 1.513 ( 6.985 5.541 8.788) 12.519 1.871 ( 10.182 -12.509 -0.242) 16.131 1.871 ( 10.182 12.509 -0.242) 16.131 2.279 ( -2.150 -9.682 -3.934) 10.669 2.279 ( -2.150 9.682 -3.934) 10.669 2.528 ( -0.407 -3.516 2.761) 4.489 2.528 ( -0.407 3.516 2.761) 4.489 2.868 ( -0.622 -3.627 -0.218) 3.686 2.868 ( -0.622 3.627 -0.218) 3.686 3.089 ( 4.372 -6.367 -6.406) 10.034 3.089 ( 4.372 6.367 -6.406) 10.034 3.304 ( -0.115 -2.249 -0.671) 2.349 3.304 ( -0.115 2.249 -0.671) 2.349 3.564 ( 5.125 -9.832 4.983) 12.156 3.564 ( 5.125 9.832 4.983) 12.156 3.900 ( 0.098 -2.048 2.701) 3.391 3.900 ( 0.098 2.048 2.701) 3.391 4.181 ( 0.263 -3.972 1.762) 4.353 4.181 ( 0.263 3.972 1.762) 4.353 4.322 ( 1.515 -1.661 7.850) 8.166 4.322 ( 1.515 1.661 7.850) 8.166 4.682 ( 9.405 -7.964 1.808) 12.456 4.682 ( 9.405 7.964 1.808) 12.456 4.806 ( 3.863 -2.166 2.121) 4.910 4.806 ( 3.863 2.166 2.121) 4.910 4.940 ( 7.393 -5.122 3.051) 9.497 4.940 ( 7.393 5.122 3.051) 9.497 5.324 ( -2.185 -4.510 -6.720) 8.383 5.324 ( -2.185 4.510 -6.720) 8.383 5.399 ( -0.609 -6.545 1.998) 6.870 5.399 ( -0.609 6.545 1.998) 6.870 5.620 ( 2.129 -3.218 1.075) 4.006 5.620 ( 2.129 3.218 1.075) 4.006 5.771 ( -3.878 -2.629 0.398) 4.702 5.771 ( -3.878 2.629 0.398) 4.702 5.969 ( -4.577 -1.990 0.562) 5.022 5.969 ( -4.577 1.990 0.562) 5.022 6.042 ( -2.772 -3.401 0.201) 4.393 6.042 ( -2.772 3.401 0.201) 4.393 6.185 ( -4.065 -1.187 -1.273) 4.422 6.185 ( -4.065 1.187 -1.273) 4.422 6.551 ( -3.356 -1.676 -3.490) 5.123 6.551 ( -3.356 1.676 -3.490) 5.123 6.800 ( -7.257 -2.785 -0.524) 7.791 6.800 ( -7.257 2.785 -0.524) 7.791 7.753 ( -7.041 -6.149 -7.929) 12.258 7.753 ( -7.041 6.149 -7.929) 12.258 12.039 ( 3.483 -1.401 0.399) 3.775 12.039 ( 3.483 1.401 0.399) 3.775 12.559 ( -2.854 -3.666 -0.520) 4.675 12.559 ( -2.854 3.666 -0.520) 4.675 13.182 ( 6.942 -2.926 0.261) 7.538 13.182 ( 6.942 2.926 0.261) 7.538 13.889 ( -5.171 -2.419 0.020) 5.709 13.889 ( -5.171 2.419 0.020) 5.709 16.800 ( 2.577 -0.574 -0.736) 2.741 16.800 ( 2.577 0.574 -0.736) 2.741 17.055 ( 0.067 -2.768 -0.202) 2.776 17.055 ( 0.067 2.768 -0.202) 2.776 17.211 ( -0.469 -0.429 1.620) 1.741 17.211 ( -0.469 0.429 1.620) 1.741 17.757 ( 0.038 -1.225 -0.573) 1.353 17.757 ( 0.038 1.225 -0.573) 1.353 18.633 ( -1.445 -1.829 -0.401) 2.365 18.633 ( -1.445 1.829 -0.401) 2.365 18.863 ( -0.067 -0.896 -0.282) 0.942 18.863 ( -0.067 0.896 -0.282) 0.942 28.220 ( 2.183 -0.348 -0.086) 2.212 28.220 ( 2.183 0.348 -0.086) 2.212 28.402 ( -0.689 -1.932 1.953) 2.832 28.402 ( -0.689 1.932 1.953) 2.832 29.892 ( -1.252 -2.505 0.337) 2.821 29.892 ( -1.252 2.505 0.337) 2.821 30.558 ( -1.365 -9.559 0.854) 9.693 30.558 ( -1.365 9.559 0.854) 9.693 32.097 ( 0.883 -2.268 0.805) 2.564 32.097 ( 0.883 2.268 0.805) 2.564 32.899 ( 0.392 -3.939 -2.645) 4.760 32.899 ( 0.392 3.939 -2.645) 4.760 33.823 ( -3.261 -9.213 -6.453) 11.712 33.823 ( -3.261 9.213 -6.453) 11.712 35.295 ( 11.327 -24.253 6.690) 27.591 35.295 ( 11.327 24.253 6.690) 27.591 ======================= Grid point 33 (19/104) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 5.163 -6.569 6.264) 10.443 1.694 ( 5.163 6.569 6.264) 10.443 1.970 ( -0.279 -11.384 -4.083) 12.097 1.970 ( -0.279 11.384 -4.083) 12.097 2.250 ( 4.838 -18.557 -2.385) 19.325 2.250 ( 4.838 18.557 -2.385) 19.325 2.585 ( 1.897 -5.604 3.797) 7.030 2.585 ( 1.897 5.604 3.797) 7.030 2.816 ( -3.520 -7.671 0.285) 8.445 2.816 ( -3.520 7.671 0.285) 8.445 3.120 ( 4.687 -2.908 -5.704) 7.935 3.120 ( 4.687 2.908 -5.704) 7.935 3.275 ( -3.891 -2.062 2.933) 5.292 3.275 ( -3.891 2.062 2.933) 5.292 3.716 ( 5.367 -6.257 2.054) 8.495 3.716 ( 5.367 6.257 2.054) 8.495 3.936 ( 1.381 -0.490 4.204) 4.452 3.936 ( 1.381 0.490 4.204) 4.452 4.160 ( -1.177 -3.136 -1.736) 3.773 4.160 ( -1.177 3.136 -1.736) 3.773 4.463 ( 4.457 -3.280 8.425) 10.079 4.463 ( 4.457 3.280 8.425) 10.079 4.841 ( 2.643 -5.815 0.667) 6.422 4.841 ( 2.643 5.815 0.667) 6.422 4.925 ( 8.998 -1.896 -1.455) 9.310 4.925 ( 8.998 1.896 -1.455) 9.310 5.110 ( 5.646 -5.432 3.456) 8.563 5.110 ( 5.646 5.432 3.456) 8.563 5.226 ( 0.119 -4.892 -0.680) 4.941 5.226 ( 0.119 4.892 -0.680) 4.941 5.406 ( -0.719 -8.523 0.168) 8.555 5.406 ( -0.719 8.523 0.168) 8.555 5.636 ( -6.547 -2.564 -2.359) 7.417 5.636 ( -6.547 2.564 -2.359) 7.417 5.676 ( -0.235 -2.918 0.739) 3.019 5.676 ( -0.235 2.918 0.739) 3.019 5.896 ( -1.218 -3.271 -1.835) 3.943 5.896 ( -1.218 3.271 -1.835) 3.943 5.978 ( -5.509 -2.872 -0.110) 6.213 5.978 ( -5.509 2.872 -0.110) 6.213 6.125 ( -1.219 -4.282 0.556) 4.487 6.125 ( -1.219 4.282 0.556) 4.487 6.436 ( -5.341 -6.542 -0.811) 8.484 6.436 ( -5.341 6.542 -0.811) 8.484 6.702 ( -2.548 -2.514 -1.902) 4.054 6.702 ( -2.548 2.514 -1.902) 4.054 7.562 ( -6.236 -1.292 -5.707) 8.551 7.562 ( -6.236 1.292 -5.707) 8.551 12.108 ( 3.216 -1.618 0.379) 3.620 12.108 ( 3.216 1.618 0.379) 3.620 12.500 ( -2.761 -3.398 -0.460) 4.402 12.500 ( -2.761 3.398 -0.460) 4.402 13.314 ( 6.342 -2.579 0.060) 6.846 13.314 ( 6.342 2.579 0.060) 6.846 13.792 ( -4.928 -1.016 0.205) 5.036 13.792 ( -4.928 1.016 0.205) 5.036 16.838 ( 1.934 -1.129 -0.913) 2.418 16.838 ( 1.934 1.129 -0.913) 2.418 17.069 ( 1.205 -2.326 0.399) 2.649 17.069 ( 1.205 2.326 0.399) 2.649 17.207 ( -1.234 -0.729 1.230) 1.889 17.207 ( -1.234 0.729 1.230) 1.889 17.755 ( 0.229 -1.188 -0.432) 1.285 17.755 ( 0.229 1.188 -0.432) 1.285 18.605 ( -1.170 -1.636 -0.134) 2.016 18.605 ( -1.170 1.636 -0.134) 2.016 18.861 ( 0.062 -0.908 -0.199) 0.932 18.861 ( 0.062 0.908 -0.199) 0.932 28.260 ( 2.045 -0.280 -0.278) 2.083 28.260 ( 2.045 0.280 -0.278) 2.083 28.402 ( -0.870 -1.213 1.563) 2.161 28.402 ( -0.870 1.213 1.563) 2.161 29.873 ( -0.942 -3.197 0.289) 3.345 29.873 ( -0.942 3.197 0.289) 3.345 30.536 ( -1.349 -8.791 0.512) 8.909 30.536 ( -1.349 8.791 0.512) 8.909 32.106 ( -0.118 -2.128 0.254) 2.147 32.106 ( -0.118 2.128 0.254) 2.147 32.920 ( 1.813 -5.333 0.550) 5.659 32.920 ( 1.813 5.333 0.550) 5.659 33.715 ( -2.027 -8.934 -6.014) 10.959 33.715 ( -2.027 8.934 -6.014) 10.959 35.501 ( 5.901 -27.383 3.555) 28.236 35.501 ( 5.901 27.383 3.555) 28.236 ======================= Grid point 35 (20/104) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.000 -4.044 0.000) 4.044 1.788 ( 0.000 4.044 0.000) 4.044 1.904 ( 0.000 -5.794 0.000) 5.794 1.904 ( 0.000 5.794 0.000) 5.794 2.314 ( 0.000 -8.916 0.000) 8.916 2.314 ( 0.000 8.916 0.000) 8.916 2.623 ( 0.000 -13.228 0.000) 13.228 2.623 ( 0.000 13.228 0.000) 13.228 2.779 ( 0.000 -6.853 0.000) 6.853 2.779 ( 0.000 6.853 0.000) 6.853 3.158 ( 0.000 -4.786 -0.000) 4.786 3.158 ( 0.000 4.786 -0.000) 4.786 3.230 ( 0.000 -0.158 0.000) 0.158 3.230 ( 0.000 0.158 0.000) 0.158 3.769 ( 0.000 -2.922 0.000) 2.922 3.769 ( 0.000 2.922 0.000) 2.922 3.982 ( 0.000 -2.033 0.000) 2.033 3.982 ( 0.000 2.033 0.000) 2.033 4.141 ( 0.000 -0.709 0.000) 0.709 4.141 ( 0.000 0.709 0.000) 0.709 4.561 ( 0.000 -3.367 -0.000) 3.367 4.561 ( 0.000 3.367 0.000) 3.367 4.826 ( 0.000 -6.481 0.000) 6.481 4.826 ( 0.000 6.481 0.000) 6.481 5.011 ( -0.000 -2.271 0.000) 2.271 5.011 ( -0.000 2.271 0.000) 2.271 5.200 ( 0.000 -5.257 0.000) 5.257 5.200 ( 0.000 5.257 0.000) 5.257 5.300 ( 0.000 -7.478 0.000) 7.478 5.300 ( 0.000 7.478 0.000) 7.478 5.367 ( 0.000 -6.675 -0.000) 6.675 5.367 ( -0.000 6.675 -0.000) 6.675 5.497 ( 0.000 -1.218 0.000) 1.218 5.497 ( 0.000 1.218 0.000) 1.218 5.718 ( -0.000 -0.667 0.000) 0.667 5.718 ( -0.000 0.667 0.000) 0.667 5.868 ( 0.000 -1.803 0.000) 1.803 5.868 ( 0.000 1.803 0.000) 1.803 5.892 ( 0.000 -3.393 0.000) 3.393 5.892 ( 0.000 3.393 0.000) 3.393 6.137 ( 0.000 -4.301 0.000) 4.301 6.137 ( 0.000 4.301 0.000) 4.301 6.375 ( 0.000 -10.145 0.000) 10.145 6.375 ( 0.000 10.145 0.000) 10.145 6.670 ( 0.000 -2.390 0.000) 2.390 6.670 ( 0.000 2.390 0.000) 2.390 7.472 ( 0.000 -2.445 0.000) 2.445 7.472 ( 0.000 2.445 0.000) 2.445 12.144 ( 0.000 -1.685 0.000) 1.685 12.144 ( 0.000 1.685 0.000) 1.685 12.468 ( 0.000 -3.272 0.000) 3.272 12.468 ( 0.000 3.272 0.000) 3.272 13.383 ( 0.000 -2.148 0.000) 2.148 13.383 ( 0.000 2.148 0.000) 2.148 13.738 ( 0.000 -0.070 0.000) 0.070 13.738 ( -0.000 0.070 0.000) 0.070 16.852 ( 0.000 -1.505 0.000) 1.505 16.852 ( 0.000 1.505 0.000) 1.505 17.088 ( 0.000 -1.539 0.000) 1.539 17.088 ( 0.000 1.539 0.000) 1.539 17.196 ( 0.000 -1.473 0.000) 1.473 17.196 ( 0.000 1.473 0.000) 1.473 17.756 ( 0.000 -0.930 0.000) 0.930 17.756 ( 0.000 0.930 0.000) 0.930 18.593 ( 0.000 -1.208 0.000) 1.208 18.593 ( 0.000 1.208 0.000) 1.208 18.861 ( 0.000 -1.036 0.000) 1.036 18.861 ( 0.000 1.036 0.000) 1.036 28.281 ( 0.000 -0.621 0.000) 0.621 28.281 ( 0.000 0.621 -0.000) 0.621 28.399 ( 0.000 -0.427 0.000) 0.427 28.399 ( 0.000 0.427 0.000) 0.427 29.865 ( 0.000 -3.435 0.000) 3.435 29.865 ( 0.000 3.435 0.000) 3.435 30.524 ( 0.000 -8.312 0.000) 8.312 30.524 ( 0.000 8.312 0.000) 8.312 32.105 ( 0.000 -1.231 -0.000) 1.231 32.105 ( 0.000 1.231 0.000) 1.231 32.944 ( 0.000 -4.978 0.000) 4.978 32.944 ( 0.000 4.978 0.000) 4.978 33.668 ( 0.000 -8.015 0.000) 8.015 33.668 ( 0.000 8.015 0.000) 8.015 35.570 ( 0.000 -28.051 0.000) 28.051 35.570 ( 0.000 28.051 0.000) 28.051 ======================= Grid point 63 (21/104) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 23.764 0.000 22.482) 32.714 0.560 ( -4.172 0.000 24.950) 25.296 0.883 ( -6.532 0.000 39.556) 40.091 1.625 ( -0.590 0.000 -0.139) 0.606 1.833 ( 7.193 0.000 3.766) 8.119 2.246 ( 4.161 0.000 -7.384) 8.476 2.437 ( -2.985 0.000 -3.267) 4.425 2.580 ( -1.444 0.000 0.131) 1.450 2.869 ( -3.622 0.000 3.158) 4.805 3.182 ( 7.627 0.000 6.920) 10.298 3.200 ( -1.317 0.000 1.683) 2.137 3.355 ( 0.171 0.000 1.097) 1.111 3.364 ( -0.223 0.000 -2.364) 2.375 3.504 ( 2.273 0.000 -7.779) 8.104 3.592 ( 1.419 0.000 -0.066) 1.421 3.603 ( 2.837 0.000 -4.509) 5.327 3.634 ( 3.654 0.000 3.753) 5.238 3.685 ( -0.831 0.000 3.608) 3.703 3.958 ( 0.356 0.000 10.173) 10.179 4.090 ( -0.921 0.000 1.109) 1.442 4.219 ( -7.126 0.000 4.743) 8.560 4.266 ( 0.570 0.000 -1.117) 1.254 4.505 ( 1.716 0.000 1.496) 2.277 4.615 ( -5.442 0.000 4.478) 7.047 4.861 ( -3.916 0.000 -0.969) 4.034 4.889 ( 5.503 0.000 3.920) 6.756 5.020 ( 2.566 0.000 -0.511) 2.616 5.079 ( -0.795 0.000 -0.110) 0.802 5.286 ( -33.385 0.000 -5.083) 33.770 5.356 ( 0.813 0.000 -11.087) 11.117 5.478 ( -3.083 0.000 -4.048) 5.088 5.593 ( 0.981 0.000 -3.172) 3.320 5.602 ( -3.622 0.000 -2.712) 4.525 5.632 ( -1.975 0.000 2.450) 3.147 5.870 ( -5.055 0.000 1.824) 5.374 5.920 ( -0.483 0.000 -1.558) 1.631 5.997 ( -0.093 0.000 -2.119) 2.121 6.019 ( 1.533 0.000 -0.290) 1.561 6.191 ( 1.723 0.000 -0.176) 1.732 6.291 ( 1.073 0.000 -5.572) 5.675 6.470 ( -4.796 0.000 3.716) 6.068 6.472 ( -3.299 0.000 -1.514) 3.630 6.680 ( 0.761 0.000 6.757) 6.799 6.783 ( -0.118 0.000 -1.467) 1.472 6.880 ( 0.163 0.000 -3.861) 3.864 6.962 ( -3.468 0.000 2.630) 4.352 7.135 ( 22.529 0.000 -1.348) 22.569 7.516 ( 24.046 0.000 -5.565) 24.681 11.916 ( -0.740 0.000 0.507) 0.897 11.991 ( 0.711 0.000 -0.611) 0.937 12.534 ( -3.139 0.000 1.570) 3.510 12.764 ( -0.103 0.000 -1.726) 1.729 12.938 ( -0.094 0.000 1.466) 1.469 13.113 ( -0.106 0.000 -1.077) 1.083 13.796 ( 1.336 0.000 2.255) 2.621 14.126 ( -1.526 0.000 -2.451) 2.887 16.786 ( -6.837 0.000 -0.297) 6.844 16.790 ( 0.673 0.000 -0.253) 0.719 16.973 ( -0.008 0.000 1.267) 1.267 17.117 ( 2.467 0.000 -1.584) 2.932 17.209 ( -1.519 0.000 2.446) 2.879 17.348 ( 3.638 0.000 -0.191) 3.643 17.707 ( -0.042 0.000 0.463) 0.465 17.782 ( -0.238 0.000 -0.601) 0.647 18.532 ( 1.296 0.000 0.552) 1.408 18.623 ( 1.426 0.000 -1.809) 2.304 18.733 ( 3.201 0.000 2.626) 4.141 18.927 ( -1.452 0.000 -1.381) 2.004 28.177 ( 0.727 0.000 0.017) 0.727 28.219 ( -1.155 0.000 -0.596) 1.300 28.501 ( -0.593 0.000 1.585) 1.692 28.661 ( 6.187 0.000 -0.722) 6.229 29.909 ( -0.262 0.000 2.217) 2.232 30.268 ( 0.583 0.000 -2.825) 2.884 30.969 ( -97.238 0.000 0.208) 97.238 31.006 ( 7.228 0.000 -0.237) 7.231 32.049 ( 1.149 0.000 0.823) 1.414 32.074 ( -1.168 0.000 0.665) 1.344 32.745 ( -3.566 0.000 3.213) 4.800 33.273 ( 63.350 0.000 -4.064) 63.480 33.502 ( 2.841 0.000 -1.483) 3.204 33.550 ( 2.837 0.000 -1.553) 3.234 34.249 ( -11.210 0.000 5.862) 12.650 34.784 ( 58.673 0.000 -2.439) 58.724 ======================= Grid point 64 (22/104) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 10.075 0.000 17.775) 20.431 0.954 ( 6.195 0.000 24.632) 25.399 1.375 ( 21.922 0.000 22.418) 31.355 1.594 ( -1.797 0.000 -0.378) 1.836 2.079 ( 11.372 0.000 5.284) 12.540 2.281 ( 6.078 0.000 -5.583) 8.253 2.347 ( -1.064 0.000 -12.536) 12.581 2.561 ( -1.921 0.000 9.667) 9.856 2.825 ( -0.976 0.000 -0.672) 1.185 3.197 ( -1.427 0.000 1.473) 2.050 3.354 ( 6.189 0.000 9.243) 11.124 3.364 ( 1.281 0.000 -1.983) 2.361 3.395 ( 2.153 0.000 5.933) 6.312 3.428 ( -2.501 0.000 -6.913) 7.351 3.603 ( 0.129 0.000 -0.647) 0.659 3.606 ( 2.651 0.000 -5.872) 6.443 3.678 ( -3.633 0.000 6.921) 7.817 3.777 ( 7.687 0.000 2.801) 8.181 4.020 ( -4.245 0.000 2.303) 4.830 4.114 ( -6.565 0.000 2.327) 6.965 4.156 ( 7.293 0.000 7.713) 10.615 4.289 ( 1.976 0.000 2.619) 3.281 4.528 ( -6.556 0.000 8.636) 10.843 4.621 ( 5.343 0.000 5.073) 7.368 4.684 ( -7.867 0.000 3.088) 8.452 4.951 ( 1.666 0.000 -0.380) 1.709 4.980 ( -2.083 0.000 1.587) 2.619 5.107 ( 2.117 0.000 -1.543) 2.619 5.144 ( 6.391 0.000 1.309) 6.523 5.267 ( -0.231 0.000 -8.565) 8.568 5.389 ( -3.408 0.000 -1.012) 3.555 5.554 ( -1.085 0.000 1.925) 2.210 5.562 ( -0.940 0.000 -1.919) 2.136 5.655 ( 0.391 0.000 2.161) 2.196 5.804 ( -3.433 0.000 2.972) 4.540 5.832 ( -4.113 0.000 -1.476) 4.370 6.008 ( 1.691 0.000 -6.631) 6.843 6.013 ( -3.302 0.000 -1.605) 3.671 6.179 ( -4.195 0.000 -4.809) 6.381 6.205 ( 0.528 0.000 -0.679) 0.860 6.349 ( -6.258 0.000 0.909) 6.324 6.369 ( -8.021 0.000 0.870) 8.068 6.648 ( -4.330 0.000 -0.965) 4.436 6.705 ( -9.509 0.000 -2.705) 9.886 6.763 ( -6.761 0.000 4.340) 8.034 6.907 ( -2.469 0.000 1.381) 2.829 7.360 ( 8.494 0.000 -5.990) 10.394 7.877 ( 12.882 0.000 -21.386) 24.966 11.934 ( 1.997 0.000 0.280) 2.016 12.028 ( 3.526 0.000 -0.167) 3.529 12.498 ( -3.045 0.000 3.063) 4.319 12.730 ( -1.742 0.000 -2.189) 2.797 12.999 ( 4.935 0.000 1.892) 5.285 13.143 ( 4.376 0.000 -1.524) 4.634 13.828 ( -0.762 0.000 3.707) 3.785 14.040 ( -4.720 0.000 -3.822) 6.073 16.732 ( -0.354 0.000 -0.419) 0.548 16.804 ( 1.037 0.000 0.203) 1.056 16.982 ( -0.123 0.000 1.304) 1.309 17.130 ( 0.526 0.000 -1.625) 1.708 17.224 ( 0.118 0.000 2.649) 2.652 17.355 ( -0.689 0.000 0.108) 0.697 17.709 ( -0.261 0.000 0.729) 0.774 17.782 ( 0.893 0.000 -1.083) 1.403 18.569 ( 1.673 0.000 1.634) 2.339 18.607 ( -0.664 0.000 -2.795) 2.873 18.816 ( 2.574 0.000 1.558) 3.009 18.875 ( -2.127 0.000 -2.675) 3.418 28.200 ( 0.036 0.000 -1.556) 1.556 28.207 ( 2.220 0.000 0.566) 2.291 28.499 ( -1.036 0.000 1.453) 1.785 28.615 ( -7.645 0.000 4.838) 9.047 29.907 ( -4.040 0.000 3.747) 5.510 30.076 ( -20.663 0.000 15.446) 25.798 30.250 ( 0.293 0.000 -3.225) 3.238 31.130 ( 2.179 0.000 5.652) 6.058 32.079 ( 1.788 0.000 0.237) 1.804 32.101 ( 2.985 0.000 1.793) 3.482 32.666 ( -6.072 0.000 -0.043) 6.072 33.254 ( -10.454 0.000 -6.942) 12.549 33.560 ( 4.279 0.000 0.721) 4.339 33.849 ( 12.357 0.000 -5.927) 13.705 34.116 ( -5.314 0.000 -0.279) 5.322 35.920 ( 53.373 0.000 -32.350) 62.411 ======================= Grid point 65 (23/104) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 7.084 0.000 9.710) 12.019 1.234 ( 4.624 0.000 16.764) 17.390 1.621 ( 7.508 0.000 2.268) 7.844 1.810 ( 7.690 0.000 14.452) 16.370 2.197 ( -0.067 0.000 -17.883) 17.883 2.219 ( 8.278 0.000 -6.033) 10.243 2.396 ( 3.689 0.000 2.501) 4.457 2.747 ( 9.208 0.000 11.169) 14.476 2.829 ( 1.580 0.000 -2.093) 2.622 3.108 ( -8.688 0.000 -0.263) 8.692 3.341 ( 1.245 0.000 -8.473) 8.564 3.358 ( 1.341 0.000 -6.311) 6.452 3.414 ( -6.598 0.000 8.704) 10.922 3.536 ( 2.572 0.000 5.124) 5.733 3.649 ( 5.570 0.000 -1.788) 5.850 3.650 ( -6.247 0.000 9.977) 11.772 3.681 ( 10.010 0.000 1.049) 10.065 3.930 ( -2.128 0.000 -1.763) 2.763 3.954 ( -1.433 0.000 0.420) 1.493 4.048 ( 5.278 0.000 3.901) 6.564 4.376 ( 9.117 0.000 4.680) 10.248 4.393 ( 3.905 0.000 7.452) 8.413 4.559 ( 2.597 0.000 3.996) 4.766 4.629 ( -2.837 0.000 2.863) 4.031 4.714 ( 1.294 0.000 1.834) 2.245 4.967 ( -0.200 0.000 0.124) 0.236 5.046 ( 7.304 0.000 3.298) 8.014 5.097 ( -1.179 0.000 -5.688) 5.809 5.143 ( -2.684 0.000 -7.100) 7.591 5.262 ( 4.509 0.000 -0.415) 4.528 5.373 ( -0.441 0.000 6.178) 6.194 5.527 ( -1.426 0.000 -2.471) 2.853 5.629 ( 3.169 0.000 6.175) 6.941 5.639 ( -3.306 0.000 -1.369) 3.579 5.785 ( -2.406 0.000 4.432) 5.042 5.830 ( 5.402 0.000 2.659) 6.022 5.869 ( -6.205 0.000 -4.673) 7.767 5.939 ( -3.143 0.000 -5.075) 5.969 6.103 ( -1.609 0.000 -2.873) 3.293 6.147 ( -12.389 0.000 0.739) 12.411 6.224 ( 0.698 0.000 -5.829) 5.871 6.266 ( 0.412 0.000 -3.417) 3.442 6.497 ( -12.055 0.000 -2.525) 12.317 6.530 ( -9.084 0.000 1.719) 9.245 6.663 ( -4.130 0.000 3.898) 5.679 6.875 ( -4.763 0.000 4.352) 6.452 7.447 ( 6.068 0.000 -4.900) 7.799 7.739 ( -6.494 0.000 -18.224) 19.347 11.987 ( 3.252 0.000 0.321) 3.268 12.110 ( 4.916 0.000 0.216) 4.921 12.460 ( -3.796 0.000 3.076) 4.886 12.670 ( -2.519 0.000 -2.229) 3.364 13.138 ( 7.733 0.000 2.389) 8.093 13.239 ( 7.168 0.000 -2.072) 7.461 13.823 ( -3.390 0.000 4.170) 5.374 13.896 ( -6.698 0.000 -4.423) 8.027 16.738 ( 1.704 0.000 -1.567) 2.315 16.841 ( 2.679 0.000 0.508) 2.727 16.991 ( 0.069 0.000 0.909) 0.912 17.118 ( 0.001 0.000 -2.050) 2.050 17.230 ( -1.828 0.000 1.890) 2.629 17.349 ( -0.217 0.000 0.645) 0.681 17.710 ( -0.360 0.000 0.928) 0.996 17.785 ( 0.407 0.000 -1.466) 1.521 18.570 ( -0.725 0.000 -2.302) 2.413 18.620 ( 1.889 0.000 2.589) 3.205 18.810 ( -1.993 0.000 -3.308) 3.862 18.856 ( 0.556 0.000 1.723) 1.810 28.193 ( 0.902 0.000 -2.386) 2.551 28.265 ( 3.247 0.000 0.855) 3.358 28.484 ( -1.790 0.000 0.982) 2.042 28.532 ( -6.517 0.000 6.769) 9.396 29.830 ( -5.823 0.000 4.826) 7.563 30.018 ( -1.526 0.000 6.060) 6.249 30.231 ( 0.739 0.000 -3.411) 3.490 31.127 ( -7.996 0.000 5.818) 9.889 32.137 ( 2.820 0.000 0.422) 2.852 32.181 ( 3.616 0.000 1.917) 4.093 32.572 ( -1.472 0.000 -1.162) 1.875 33.015 ( -9.164 0.000 -5.033) 10.455 33.686 ( 7.068 0.000 3.384) 7.837 33.976 ( 7.417 0.000 -5.866) 9.456 34.042 ( -1.752 0.000 -1.926) 2.603 36.363 ( 23.925 0.000 -22.511) 32.850 ======================= Grid point 66 (24/104) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -3.231 0.000 2.326) 3.981 1.362 ( -0.666 0.000 3.832) 3.889 1.955 ( 19.300 0.000 7.473) 20.696 1.964 ( -2.818 0.000 15.828) 16.077 2.072 ( 2.204 0.000 -15.936) 16.088 2.352 ( 10.137 0.000 -7.059) 12.353 2.430 ( -0.537 0.000 0.478) 0.719 2.799 ( -3.443 0.000 -1.560) 3.780 2.922 ( 2.529 0.000 3.737) 4.513 2.963 ( -5.920 0.000 2.490) 6.422 3.312 ( -9.194 0.000 8.386) 12.444 3.320 ( 5.236 0.000 -8.371) 9.874 3.357 ( 5.223 0.000 -8.993) 10.400 3.569 ( -3.748 0.000 3.306) 4.998 3.608 ( -5.674 0.000 3.303) 6.565 3.687 ( -4.523 0.000 -2.002) 4.946 3.852 ( 2.843 0.000 0.589) 2.904 3.900 ( 9.322 0.000 3.801) 10.067 3.941 ( -0.037 0.000 -5.357) 5.357 4.162 ( -0.383 0.000 1.570) 1.616 4.536 ( 4.994 0.000 -1.336) 5.170 4.559 ( 5.745 0.000 2.077) 6.109 4.620 ( 2.135 0.000 2.299) 3.137 4.654 ( 2.192 0.000 4.546) 5.046 4.747 ( 4.117 0.000 1.853) 4.515 4.953 ( -1.384 0.000 -5.247) 5.426 4.970 ( -7.117 0.000 -6.261) 9.479 4.990 ( -4.597 0.000 -1.469) 4.826 5.252 ( 9.680 0.000 2.911) 10.108 5.407 ( 5.190 0.000 4.935) 7.162 5.443 ( 0.040 0.000 8.959) 8.959 5.465 ( -1.333 0.000 -0.565) 1.448 5.554 ( -0.727 0.000 -5.239) 5.289 5.722 ( 2.308 0.000 4.035) 4.649 5.772 ( -1.234 0.000 1.630) 2.044 5.773 ( -10.764 0.000 -3.463) 11.308 5.804 ( -0.640 0.000 3.207) 3.271 5.964 ( -2.570 0.000 1.367) 2.911 5.968 ( -1.117 0.000 -0.460) 1.208 6.040 ( -0.433 0.000 -5.633) 5.650 6.167 ( -1.833 0.000 -6.030) 6.302 6.313 ( -1.853 0.000 0.255) 1.871 6.315 ( -2.150 0.000 5.046) 5.485 6.428 ( 2.639 0.000 0.577) 2.701 6.624 ( -4.037 0.000 1.604) 4.344 6.807 ( -6.334 0.000 6.265) 8.909 7.427 ( -8.791 0.000 -9.616) 13.029 7.527 ( 5.440 0.000 -6.476) 8.458 12.053 ( 3.148 0.000 0.401) 3.173 12.195 ( 3.488 0.000 -0.039) 3.488 12.411 ( -4.035 0.000 3.066) 5.068 12.612 ( -1.524 0.000 -1.609) 2.216 13.300 ( 6.423 0.000 1.938) 6.709 13.359 ( 7.500 0.000 -2.818) 8.012 13.743 ( -5.128 0.000 -3.336) 6.118 13.769 ( -5.914 0.000 3.643) 6.946 16.767 ( 2.585 0.000 -1.176) 2.840 16.908 ( 3.657 0.000 0.506) 3.692 16.996 ( -0.107 0.000 0.340) 0.356 17.101 ( 0.019 0.000 -1.672) 1.672 17.184 ( -3.605 0.000 -0.326) 3.620 17.348 ( -0.638 0.000 -0.191) 0.666 17.711 ( -0.409 0.000 1.080) 1.155 17.778 ( 0.304 0.000 -1.039) 1.082 18.549 ( 0.282 0.000 -1.505) 1.531 18.662 ( -0.552 0.000 1.517) 1.614 18.765 ( 0.661 0.000 -1.773) 1.893 18.869 ( -0.533 0.000 1.388) 1.487 28.192 ( 1.372 0.000 -2.914) 3.221 28.337 ( 3.444 0.000 0.945) 3.571 28.445 ( -2.895 0.000 0.070) 2.896 28.475 ( -5.481 0.000 5.949) 8.089 29.784 ( -2.766 0.000 3.016) 4.092 30.048 ( -0.743 0.000 5.476) 5.526 30.222 ( 1.460 0.000 -3.613) 3.896 30.971 ( -9.818 0.000 0.631) 9.839 32.156 ( 0.309 0.000 -1.620) 1.649 32.248 ( 1.927 0.000 0.413) 1.971 32.611 ( 2.581 0.000 4.605) 5.279 32.857 ( -4.078 0.000 -1.402) 4.312 33.798 ( 2.038 0.000 -4.299) 4.757 34.039 ( 4.981 0.000 -6.390) 8.102 34.071 ( 3.731 0.000 10.011) 10.683 36.531 ( 12.936 0.000 -17.016) 21.375 ======================= Grid point 67 (25/104) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -1.046 0.000 0.758) 1.292 1.279 ( -6.778 0.000 -6.189) 9.178 1.877 ( -8.545 0.000 -10.508) 13.543 1.963 ( -11.536 0.000 14.822) 18.782 2.384 ( -3.156 0.000 2.876) 4.270 2.432 ( 18.774 0.000 9.021) 20.828 2.464 ( 7.006 0.000 -10.409) 12.547 2.739 ( 0.055 0.000 0.096) 0.111 2.941 ( -1.023 0.000 5.668) 5.760 2.970 ( 2.604 0.000 -0.548) 2.661 3.213 ( -11.703 0.000 9.133) 14.844 3.337 ( 3.408 0.000 -9.355) 9.956 3.436 ( -7.340 0.000 -9.601) 12.086 3.450 ( 10.935 0.000 -7.244) 13.117 3.511 ( -7.265 0.000 6.173) 9.533 3.569 ( -3.443 0.000 0.123) 3.445 3.873 ( 0.105 0.000 -9.034) 9.035 3.935 ( -0.342 0.000 3.921) 3.935 3.965 ( -3.973 0.000 -1.640) 4.298 4.138 ( 0.634 0.000 -0.451) 0.779 4.467 ( -8.062 0.000 -9.887) 12.757 4.551 ( -7.611 0.000 -7.399) 10.615 4.593 ( -0.005 0.000 2.926) 2.926 4.777 ( 7.413 0.000 2.165) 7.723 4.781 ( -2.845 0.000 -2.303) 3.660 4.840 ( -4.539 0.000 -1.780) 4.875 4.994 ( 3.010 0.000 3.889) 4.918 5.007 ( 8.558 0.000 4.533) 9.684 5.314 ( -4.081 0.000 -1.609) 4.387 5.406 ( -3.512 0.000 -5.425) 6.462 5.475 ( -1.443 0.000 3.856) 4.117 5.521 ( 2.408 0.000 5.955) 6.423 5.531 ( -8.013 0.000 -5.024) 9.458 5.637 ( 7.118 0.000 3.361) 7.872 5.776 ( -0.476 0.000 2.334) 2.382 5.795 ( 0.362 0.000 3.664) 3.682 5.854 ( 1.053 0.000 4.893) 5.005 5.878 ( 0.699 0.000 -0.884) 1.127 5.999 ( 1.486 0.000 0.508) 1.571 6.054 ( 8.029 0.000 -4.424) 9.167 6.165 ( 5.298 0.000 -0.750) 5.351 6.188 ( -7.932 0.000 0.576) 7.953 6.382 ( -4.131 0.000 9.306) 10.182 6.486 ( -0.935 0.000 -3.458) 3.582 6.594 ( 4.610 0.000 0.170) 4.613 6.763 ( -4.877 0.000 7.160) 8.663 7.347 ( 7.805 0.000 -3.997) 8.769 7.608 ( 7.379 0.000 -2.522) 7.798 12.095 ( 0.327 0.000 0.785) 0.851 12.217 ( -0.826 0.000 -1.031) 1.321 12.376 ( -1.806 0.000 2.865) 3.387 12.604 ( 1.736 0.000 -0.431) 1.788 13.333 ( -3.919 0.000 -1.401) 4.162 13.452 ( 4.212 0.000 -2.957) 5.147 13.676 ( -5.765 0.000 2.083) 6.130 13.725 ( 5.086 0.000 0.954) 5.175 16.812 ( 2.547 0.000 0.513) 2.599 16.946 ( -1.029 0.000 -0.320) 1.078 16.991 ( -0.598 0.000 -0.096) 0.605 17.102 ( 0.157 0.000 -1.770) 1.777 17.123 ( 0.557 0.000 -0.857) 1.022 17.311 ( -2.023 0.000 -2.544) 3.250 17.712 ( -0.587 0.000 1.071) 1.221 17.789 ( 1.303 0.000 -0.031) 1.303 18.558 ( 1.523 0.000 -0.480) 1.597 18.619 ( -2.662 0.000 -1.898) 3.269 18.810 ( 2.826 0.000 1.824) 3.363 18.861 ( -1.250 0.000 0.612) 1.391 28.195 ( 1.463 0.000 -2.766) 3.129 28.378 ( -3.764 0.000 -0.895) 3.868 28.403 ( 2.698 0.000 0.904) 2.845 28.421 ( -5.103 0.000 4.569) 6.850 29.774 ( -0.728 0.000 2.433) 2.540 30.078 ( -1.325 0.000 6.575) 6.707 30.224 ( 1.908 0.000 -3.680) 4.145 30.831 ( -3.029 0.000 -3.783) 4.846 32.147 ( 0.405 0.000 -1.586) 1.637 32.241 ( -1.911 0.000 -1.991) 2.760 32.689 ( -0.071 0.000 7.359) 7.360 32.860 ( 3.572 0.000 2.890) 4.595 33.715 ( -3.842 0.000 -7.181) 8.144 34.054 ( 2.385 0.000 -6.927) 7.327 34.285 ( 3.940 0.000 17.863) 18.292 36.581 ( 7.745 0.000 -16.907) 18.597 ======================= Grid point 68 (26/104) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -12.797 0.000 -9.282) 15.809 1.130 ( -5.025 0.000 2.773) 5.739 1.616 ( -9.172 0.000 -5.165) 10.526 1.801 ( -16.488 0.000 10.337) 19.460 2.337 ( -4.882 0.000 3.664) 6.104 2.457 ( 0.624 0.000 -8.282) 8.305 2.720 ( 3.852 0.000 11.598) 12.221 2.801 ( -22.152 0.000 -9.009) 23.914 2.880 ( 12.402 0.000 -0.309) 12.406 2.942 ( -3.931 0.000 3.220) 5.081 3.123 ( 2.547 0.000 5.516) 6.076 3.281 ( -4.443 0.000 -6.237) 7.658 3.322 ( 3.658 0.000 -7.701) 8.526 3.434 ( -4.333 0.000 2.653) 5.081 3.488 ( 0.864 0.000 -3.930) 4.024 3.654 ( 6.790 0.000 -1.010) 6.865 3.728 ( -8.761 0.000 -6.168) 10.715 3.875 ( -0.181 0.000 -3.256) 3.261 3.887 ( -6.534 0.000 4.345) 7.847 4.085 ( -6.508 0.000 -4.771) 8.070 4.282 ( -10.271 0.000 -9.507) 13.996 4.347 ( 3.125 0.000 -0.904) 3.253 4.609 ( -3.389 0.000 5.728) 6.655 4.740 ( -0.826 0.000 0.312) 0.883 4.762 ( -3.788 0.000 4.022) 5.525 4.922 ( 4.142 0.000 2.070) 4.630 5.007 ( -6.575 0.000 -6.129) 8.989 5.109 ( 5.255 0.000 3.044) 6.073 5.237 ( -1.426 0.000 -1.740) 2.249 5.283 ( -4.194 0.000 -3.048) 5.184 5.445 ( 1.377 0.000 -2.816) 3.134 5.470 ( -0.549 0.000 1.668) 1.756 5.605 ( 1.382 0.000 4.068) 4.296 5.752 ( 0.803 0.000 3.681) 3.768 5.764 ( -4.480 0.000 3.808) 5.880 5.800 ( -0.249 0.000 -3.707) 3.716 5.905 ( 1.885 0.000 0.976) 2.123 5.948 ( 2.253 0.000 2.014) 3.022 6.020 ( 5.459 0.000 3.504) 6.487 6.074 ( -1.437 0.000 -3.132) 3.445 6.242 ( 10.872 0.000 -1.789) 11.018 6.318 ( 2.175 0.000 -2.028) 2.974 6.385 ( 7.621 0.000 4.975) 9.101 6.440 ( 1.049 0.000 3.145) 3.315 6.727 ( -4.196 0.000 4.632) 6.250 6.753 ( 6.328 0.000 6.348) 8.963 7.470 ( 5.245 0.000 -4.517) 6.922 7.805 ( 16.037 0.000 -4.201) 16.578 12.072 ( -3.464 0.000 1.478) 3.766 12.159 ( -3.660 0.000 -1.460) 3.941 12.399 ( 1.509 0.000 2.641) 3.042 12.656 ( 3.552 0.000 0.012) 3.552 13.197 ( -7.533 0.000 -1.852) 7.758 13.420 ( -5.891 0.000 -0.510) 5.913 13.644 ( 2.151 0.000 -1.353) 2.542 13.878 ( 8.189 0.000 2.259) 8.495 16.866 ( 1.421 0.000 3.244) 3.542 16.876 ( -4.164 0.000 -1.423) 4.400 16.974 ( -0.946 0.000 -0.368) 1.015 17.076 ( 0.733 0.000 -3.579) 3.654 17.186 ( 3.155 0.000 1.948) 3.708 17.245 ( -1.346 0.000 -4.889) 5.071 17.705 ( -0.829 0.000 0.579) 1.012 17.813 ( 0.904 0.000 -0.003) 0.904 18.557 ( -1.805 0.000 -2.285) 2.912 18.596 ( 2.405 0.000 0.517) 2.460 18.833 ( -1.717 0.000 -0.530) 1.796 18.877 ( 2.328 0.000 2.267) 3.249 28.202 ( 1.222 0.000 -1.255) 1.752 28.296 ( -3.704 0.000 -1.526) 4.006 28.362 ( -4.636 0.000 3.099) 5.576 28.452 ( 1.561 0.000 1.114) 1.918 29.797 ( 0.930 0.000 2.638) 2.797 30.116 ( -1.550 0.000 10.140) 10.257 30.233 ( 2.212 0.000 -3.155) 3.853 30.797 ( 3.621 0.000 -6.716) 7.630 32.142 ( -0.298 0.000 -0.466) 0.553 32.167 ( -3.392 0.000 -2.461) 4.190 32.730 ( -1.717 0.000 7.058) 7.264 33.011 ( 8.565 0.000 4.403) 9.630 33.579 ( -4.443 0.000 -5.143) 6.796 34.007 ( -0.933 0.000 -8.164) 8.217 34.458 ( -2.548 0.000 19.098) 19.267 36.532 ( 4.345 0.000 -23.560) 23.957 ======================= Grid point 69 (27/104) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -16.154 0.000 -5.747) 17.146 0.916 ( -20.103 0.000 6.576) 21.151 1.496 ( -27.247 0.000 9.897) 28.989 1.549 ( 2.345 0.000 0.137) 2.349 2.149 ( -21.346 0.000 -6.974) 22.456 2.317 ( -1.808 0.000 -8.012) 8.213 2.486 ( -2.948 0.000 10.297) 10.711 2.755 ( -9.321 0.000 2.267) 9.592 2.894 ( -1.219 0.000 4.936) 5.084 2.984 ( -15.370 0.000 -10.733) 18.746 3.090 ( 7.711 0.000 3.444) 8.445 3.276 ( 5.553 0.000 3.761) 6.706 3.366 ( 6.902 0.000 -5.594) 8.884 3.446 ( 2.958 0.000 2.440) 3.834 3.473 ( 0.078 0.000 -2.172) 2.174 3.590 ( -2.950 0.000 -0.847) 3.069 3.636 ( -3.226 0.000 -6.803) 7.529 3.800 ( -6.271 0.000 5.177) 8.132 3.871 ( 0.605 0.000 0.241) 0.651 4.047 ( 3.014 0.000 2.920) 4.196 4.075 ( -5.029 0.000 -2.759) 5.736 4.382 ( -0.015 0.000 -0.231) 0.232 4.586 ( -5.196 0.000 10.619) 11.822 4.695 ( -7.164 0.000 1.498) 7.319 4.764 ( -0.798 0.000 8.158) 8.197 4.899 ( 1.402 0.000 -2.930) 3.248 4.973 ( -0.614 0.000 3.630) 3.681 5.062 ( -8.860 0.000 -8.703) 12.420 5.169 ( -1.937 0.000 1.361) 2.367 5.343 ( 8.049 0.000 2.506) 8.430 5.452 ( 1.667 0.000 -5.468) 5.716 5.506 ( 2.595 0.000 0.004) 2.595 5.638 ( -0.578 0.000 3.786) 3.830 5.702 ( -2.179 0.000 0.938) 2.373 5.748 ( -3.089 0.000 2.447) 3.940 5.773 ( 1.559 0.000 -0.624) 1.679 5.935 ( 2.209 0.000 -2.894) 3.641 6.049 ( 6.316 0.000 -0.668) 6.351 6.077 ( 3.502 0.000 -3.925) 5.260 6.139 ( 1.535 0.000 1.295) 2.008 6.336 ( 4.605 0.000 -0.379) 4.620 6.341 ( 3.058 0.000 -0.575) 3.112 6.587 ( 6.189 0.000 2.846) 6.812 6.635 ( 11.886 0.000 5.320) 13.022 6.694 ( -0.810 0.000 2.212) 2.355 6.897 ( 3.269 0.000 5.770) 6.632 7.463 ( -0.736 0.000 -5.825) 5.871 8.015 ( 12.690 0.000 -17.263) 21.425 12.009 ( -4.280 0.000 1.839) 4.658 12.076 ( -3.743 0.000 -1.259) 3.949 12.462 ( 2.475 0.000 3.079) 3.950 12.720 ( 3.140 0.000 -0.348) 3.159 13.053 ( -6.447 0.000 -0.521) 6.468 13.283 ( -7.429 0.000 -0.153) 7.431 13.691 ( 3.613 0.000 -1.439) 3.889 14.033 ( 6.391 0.000 1.435) 6.550 16.804 ( -1.875 0.000 -1.478) 2.388 16.914 ( -0.506 0.000 5.919) 5.941 16.960 ( 0.023 0.000 -0.118) 0.120 17.069 ( 1.292 0.000 -2.739) 3.029 17.191 ( 0.742 0.000 -6.377) 6.420 17.239 ( 0.354 0.000 1.937) 1.969 17.696 ( -0.266 0.000 0.282) 0.388 17.814 ( -0.518 0.000 -0.645) 0.827 18.519 ( -0.418 0.000 -1.675) 1.726 18.648 ( 2.313 0.000 0.956) 2.503 18.786 ( -2.241 0.000 -2.431) 3.306 18.928 ( 1.274 0.000 1.612) 2.054 28.224 ( -2.579 0.000 -1.352) 2.912 28.230 ( 1.284 0.000 3.634) 3.854 28.303 ( -3.735 0.000 1.800) 4.146 28.481 ( 0.518 0.000 1.341) 1.438 29.847 ( 1.762 0.000 2.618) 3.156 30.235 ( 2.496 0.000 22.307) 22.446 30.253 ( 2.263 0.000 -2.446) 3.332 30.832 ( 6.274 0.000 -7.915) 10.100 32.091 ( -2.701 0.000 -1.634) 3.157 32.125 ( -1.665 0.000 0.833) 1.862 32.750 ( -1.630 0.000 5.380) 5.621 33.222 ( 10.091 0.000 2.303) 10.350 33.486 ( -1.622 0.000 -2.833) 3.265 33.872 ( -5.400 0.000 -11.424) 12.636 34.497 ( -9.282 0.000 17.089) 19.447 36.286 ( -3.671 0.000 -46.055) 46.201 ======================= Grid point 70 (28/104) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( -18.227 0.000 0.425) 18.232 0.617 ( -19.989 0.000 17.615) 26.643 0.991 ( -34.591 0.000 25.112) 42.745 1.607 ( 2.152 0.000 0.859) 2.317 1.815 ( -6.112 0.000 -4.465) 7.569 2.259 ( 1.680 0.000 -8.410) 8.577 2.564 ( -9.262 0.000 -0.730) 9.291 2.663 ( -8.805 0.000 -3.941) 9.647 2.750 ( 14.897 0.000 26.551) 30.445 2.893 ( -3.071 0.000 5.135) 5.984 3.200 ( 0.101 0.000 4.231) 4.233 3.365 ( 0.896 0.000 0.082) 0.899 3.420 ( -1.545 0.000 -4.681) 4.929 3.462 ( 6.045 0.000 -4.546) 7.564 3.529 ( 3.865 0.000 1.012) 3.995 3.574 ( 0.487 0.000 1.880) 1.942 3.583 ( 3.264 0.000 -5.155) 6.101 3.726 ( -5.893 0.000 4.293) 7.291 3.894 ( -0.282 0.000 5.565) 5.572 4.075 ( 1.829 0.000 3.455) 3.909 4.158 ( 4.154 0.000 5.047) 6.537 4.359 ( -3.834 0.000 0.548) 3.873 4.548 ( -6.371 0.000 -0.044) 6.371 4.620 ( -1.659 0.000 9.706) 9.847 4.844 ( -3.775 0.000 -2.869) 4.742 4.908 ( -0.206 0.000 3.694) 3.699 4.977 ( 3.869 0.000 -1.584) 4.181 5.097 ( 6.265 0.000 12.451) 13.938 5.132 ( 13.104 0.000 27.061) 30.067 5.414 ( 1.258 0.000 -8.192) 8.288 5.518 ( 7.863 0.000 -1.480) 8.001 5.539 ( 2.026 0.000 3.341) 3.907 5.607 ( -2.939 0.000 -1.319) 3.222 5.695 ( -4.445 0.000 1.666) 4.747 5.745 ( 3.019 0.000 -2.469) 3.899 5.844 ( 5.629 0.000 0.000) 5.629 5.948 ( 3.302 0.000 -4.038) 5.216 6.088 ( 0.295 0.000 -4.587) 4.597 6.089 ( -5.019 0.000 -1.151) 5.149 6.141 ( 4.148 0.000 -0.900) 4.244 6.378 ( 0.959 0.000 -0.043) 0.960 6.469 ( 6.441 0.000 0.078) 6.442 6.609 ( -2.020 0.000 4.258) 4.713 6.768 ( 3.926 0.000 -0.629) 3.976 6.859 ( 7.380 0.000 0.667) 7.410 6.966 ( -0.385 0.000 4.766) 4.782 7.360 ( -3.583 0.000 -9.807) 10.441 7.804 ( -16.993 0.000 -38.855) 42.409 11.952 ( -3.278 0.000 1.325) 3.536 12.011 ( -2.052 0.000 -0.939) 2.257 12.534 ( 2.206 0.000 2.276) 3.170 12.761 ( 1.723 0.000 -1.029) 2.006 12.962 ( -3.460 0.000 1.205) 3.664 13.165 ( -4.609 0.000 -0.590) 4.646 13.747 ( 2.788 0.000 0.253) 2.799 14.127 ( 2.923 0.000 -0.469) 2.960 16.783 ( 0.362 0.000 -0.846) 0.920 16.940 ( -2.533 0.000 -1.271) 2.834 16.955 ( 0.409 0.000 0.306) 0.511 17.082 ( 2.280 0.000 -1.900) 2.968 17.199 ( 4.630 0.000 2.513) 5.268 17.233 ( -2.226 0.000 1.773) 2.846 17.701 ( 0.295 0.000 0.377) 0.479 17.793 ( -0.741 0.000 -0.604) 0.956 18.513 ( 0.695 0.000 -0.622) 0.932 18.679 ( -1.625 0.000 -2.441) 2.932 18.703 ( -2.188 0.000 -1.346) 2.569 18.947 ( -0.127 0.000 0.252) 0.282 28.182 ( -0.957 0.000 -0.707) 1.190 28.253 ( -2.447 0.000 0.489) 2.496 28.376 ( 9.139 0.000 13.615) 16.398 28.496 ( -0.165 0.000 1.524) 1.533 29.890 ( 0.686 0.000 1.880) 2.001 30.270 ( 1.561 0.000 -2.335) 2.809 30.846 ( 42.531 0.000 57.005) 71.123 30.897 ( 7.036 0.000 -5.760) 9.093 32.048 ( -0.922 0.000 -0.169) 0.938 32.098 ( -2.075 0.000 1.307) 2.452 32.759 ( -1.702 0.000 4.110) 4.448 33.270 ( -13.902 0.000 -28.797) 31.977 33.471 ( 1.689 0.000 -1.807) 2.474 33.606 ( -8.040 0.000 -7.360) 10.899 34.408 ( -13.032 0.000 12.451) 18.024 35.335 ( -48.843 0.000 -75.994) 90.337 ======================= Grid point 71 (29/104) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 5.390 17.389 12.579) 22.128 0.864 ( -2.706 17.609 20.994) 27.534 1.257 ( -0.164 30.855 20.713) 37.163 1.625 ( 5.097 -0.686 0.273) 5.150 1.985 ( 5.648 10.916 1.857) 12.430 2.283 ( 2.541 3.886 -6.749) 8.192 2.418 ( -1.398 -5.509 -0.857) 5.748 2.501 ( -3.805 -1.857 1.022) 4.355 2.712 ( -3.260 -9.123 1.850) 9.863 2.957 ( 3.544 -12.269 14.047) 18.985 3.213 ( -1.376 -0.267 -0.855) 1.642 3.287 ( 4.179 -8.389 -0.763) 9.403 3.385 ( -1.831 -5.871 -4.391) 7.556 3.403 ( 1.642 -3.573 -4.934) 6.310 3.553 ( 4.068 5.251 -3.052) 7.310 3.604 ( -1.141 0.258 -0.585) 1.308 3.696 ( -0.165 3.498 3.392) 4.876 3.821 ( -0.229 6.391 7.334) 9.731 3.998 ( 3.196 4.075 9.161) 10.523 4.129 ( 1.191 3.849 1.139) 4.186 4.218 ( 0.047 -3.275 -1.419) 3.569 4.279 ( -4.346 2.440 3.873) 6.312 4.538 ( 2.308 3.164 2.565) 4.681 4.603 ( -7.824 -1.369 6.399) 10.200 4.798 ( -5.637 -5.355 6.744) 10.293 4.849 ( 1.586 -3.512 1.838) 4.269 5.034 ( 0.738 3.955 4.285) 5.878 5.112 ( -2.116 0.434 2.114) 3.022 5.181 ( -7.069 -5.574 -0.657) 9.026 5.296 ( -0.949 -6.915 -7.459) 10.215 5.462 ( -5.041 -1.613 -4.795) 7.141 5.526 ( 1.673 -5.257 0.065) 5.518 5.549 ( 1.117 -0.252 -0.545) 1.268 5.633 ( -3.686 -0.345 1.513) 4.000 5.763 ( 3.754 -3.660 0.537) 5.271 5.922 ( 2.544 0.769 1.607) 3.106 5.988 ( 0.306 -0.574 -2.858) 2.931 6.025 ( 0.665 0.611 0.082) 0.907 6.147 ( 0.141 -1.952 -0.732) 2.090 6.288 ( 0.928 -0.792 -3.523) 3.729 6.382 ( 0.489 -6.065 3.866) 7.209 6.481 ( -7.283 -0.598 -1.388) 7.438 6.594 ( 7.423 -7.384 4.213) 11.286 6.670 ( -0.781 -0.938 1.114) 1.653 6.917 ( -3.181 2.454 -2.602) 4.787 6.978 ( 1.707 2.342 1.305) 3.178 7.419 ( 1.495 10.510 -8.605) 13.665 7.782 ( 11.128 12.406 -24.899) 29.962 11.923 ( -0.325 0.683 0.440) 0.875 11.989 ( 0.508 -0.228 -0.443) 0.712 12.527 ( -1.625 0.426 2.315) 2.860 12.746 ( -0.144 -1.884 -1.695) 2.538 12.951 ( -0.125 1.295 1.355) 1.879 13.109 ( 0.228 -0.765 -0.653) 1.031 13.864 ( 1.170 4.013 -0.805) 4.256 14.105 ( -1.220 -1.832 -2.088) 3.034 16.767 ( -3.156 -0.740 0.837) 3.348 16.792 ( -0.578 -0.731 0.233) 0.960 16.957 ( 0.283 0.232 -0.292) 0.467 17.109 ( 2.109 -0.940 -1.861) 2.965 17.214 ( -1.240 0.297 2.080) 2.440 17.285 ( 2.022 -3.007 2.624) 4.473 17.716 ( 0.104 0.739 0.248) 0.786 17.780 ( -0.299 -0.154 -0.634) 0.718 18.614 ( -3.095 2.181 -1.623) 4.120 18.666 ( 1.038 3.095 -3.132) 4.524 18.752 ( 4.640 2.362 0.938) 5.290 18.924 ( -1.708 -0.442 -1.193) 2.130 28.182 ( 0.418 0.336 0.109) 0.547 28.212 ( -1.038 -0.591 -0.414) 1.264 28.486 ( 0.138 -2.649 3.531) 4.416 28.514 ( 1.476 -6.899 7.104) 10.012 29.916 ( -0.234 0.640 2.278) 2.378 30.210 ( -10.496 -12.544 8.704) 18.528 30.370 ( -16.389 -9.364 13.136) 22.997 30.937 ( 6.060 -6.849 -0.889) 9.189 32.039 ( -0.678 -0.215 0.551) 0.900 32.085 ( -0.229 -0.152 1.830) 1.850 32.767 ( 0.247 2.956 -1.632) 3.386 33.190 ( -3.956 -4.617 -5.277) 8.051 33.626 ( -3.923 7.435 -0.317) 8.413 34.031 ( 6.132 6.828 -12.560) 15.556 34.477 ( -17.330 18.547 -6.698) 26.253 34.845 ( 53.600 5.039 -5.092) 54.076 ======================= Grid point 72 (30/104) ======================= q-point: ( 0.12 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 11.562 10.974 15.273) 22.077 1.065 ( 6.414 9.922 18.555) 21.997 1.520 ( 8.747 13.374 12.719) 20.424 1.702 ( 1.772 6.605 0.520) 6.858 2.186 ( 5.591 10.336 1.374) 11.831 2.295 ( 6.145 1.625 -3.086) 7.066 2.443 ( 3.418 8.149 -6.666) 11.069 2.465 ( 2.795 -5.212 6.761) 8.983 2.682 ( 1.680 -11.849 1.847) 12.109 3.081 ( -0.952 -11.790 7.335) 13.918 3.217 ( 2.303 -7.733 -1.763) 8.259 3.322 ( -0.312 -10.039 -4.222) 10.895 3.338 ( 3.263 -5.674 -3.570) 7.456 3.398 ( 1.640 -2.628 -1.364) 3.385 3.528 ( -6.312 2.223 4.704) 8.180 3.654 ( 6.829 4.799 -1.731) 8.524 3.762 ( 3.657 3.806 4.413) 6.880 3.824 ( -3.583 3.000 4.141) 6.244 4.109 ( -3.043 3.212 -1.381) 4.635 4.166 ( 2.581 4.394 4.788) 6.992 4.223 ( 3.381 6.357 6.811) 9.911 4.300 ( 2.019 1.977 3.989) 4.889 4.514 ( -5.907 -0.934 10.030) 11.678 4.662 ( 4.589 3.115 6.067) 8.220 4.696 ( -5.362 0.226 4.571) 7.050 4.870 ( 1.313 -2.250 -2.385) 3.532 5.040 ( -0.995 -1.455 2.832) 3.336 5.101 ( 1.380 1.374 -1.641) 2.546 5.177 ( 0.415 -1.978 -3.107) 3.706 5.262 ( 4.965 3.089 -2.101) 6.214 5.358 ( -2.672 -1.445 -4.148) 5.141 5.518 ( 0.036 -1.943 0.832) 2.114 5.566 ( -0.665 0.045 0.440) 0.799 5.635 ( 1.468 -1.803 4.046) 4.667 5.784 ( -1.124 -0.687 0.906) 1.599 5.880 ( -5.043 2.385 -0.390) 5.592 5.958 ( -1.255 -2.214 -6.923) 7.376 6.025 ( -1.373 0.155 -0.855) 1.625 6.127 ( -1.524 -3.041 -0.385) 3.423 6.257 ( -2.040 2.216 -2.349) 3.820 6.321 ( -6.261 -2.346 -0.229) 6.690 6.341 ( -7.301 -2.711 0.873) 7.837 6.611 ( -4.194 -3.318 -0.986) 5.438 6.730 ( -0.769 -2.184 1.429) 2.721 6.752 ( -7.609 0.845 -0.220) 7.659 6.914 ( -7.233 2.662 0.276) 7.713 7.412 ( 4.974 4.604 -8.480) 10.856 7.838 ( 8.094 -3.190 -20.604) 22.365 11.943 ( 1.980 0.779 0.285) 2.147 12.023 ( 3.249 -0.471 -0.097) 3.285 12.508 ( -2.592 1.081 2.506) 3.764 12.712 ( -1.778 -1.738 -2.034) 3.212 13.006 ( 4.515 0.852 1.831) 4.946 13.145 ( 4.404 -0.229 -1.250) 4.584 13.863 ( -1.581 2.740 2.215) 3.862 14.028 ( -4.469 -1.113 -3.378) 5.712 16.737 ( -0.191 0.462 -0.245) 0.557 16.802 ( 0.961 -0.372 0.234) 1.057 16.967 ( 0.552 -0.573 0.716) 1.071 17.119 ( 0.747 -1.146 -1.783) 2.247 17.227 ( 0.035 0.260 2.300) 2.315 17.314 ( -0.023 -2.955 1.315) 3.235 17.715 ( -0.358 0.593 0.394) 0.797 17.775 ( 0.456 -0.470 -0.824) 1.053 18.570 ( -0.941 1.210 -0.140) 1.539 18.656 ( 0.035 2.420 -0.943) 2.598 18.824 ( 1.951 0.791 0.736) 2.230 18.874 ( -1.677 -0.106 -2.263) 2.818 28.197 ( 0.209 -0.254 -1.169) 1.214 28.207 ( 1.817 -0.073 0.479) 1.881 28.490 ( -1.079 -0.895 1.836) 2.310 28.540 ( -4.225 -5.207 6.691) 9.472 29.910 ( -4.152 0.419 3.875) 5.695 30.030 ( -10.269 -2.869 10.828) 15.196 30.282 ( -0.841 2.988 -1.873) 3.626 31.036 ( 1.973 -8.756 3.625) 9.680 32.051 ( 0.765 -0.908 1.103) 1.621 32.113 ( 2.694 0.508 1.608) 3.178 32.728 ( -4.300 4.103 -1.946) 6.254 33.116 ( 0.312 -11.123 -4.312) 11.934 33.511 ( -4.802 5.726 -1.813) 7.690 34.064 ( 1.226 -0.996 -4.068) 4.364 34.277 ( -1.072 22.317 -1.887) 22.422 35.738 ( 44.224 -14.768 -18.841) 50.288 ======================= Grid point 73 (31/104) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 7.716 8.099 8.101) 13.811 1.380 ( 8.106 12.733 14.248) 20.757 1.639 ( 2.699 1.199 2.618) 3.946 1.840 ( 6.162 2.787 10.469) 12.464 2.136 ( 0.865 1.445 -14.643) 14.740 2.323 ( 6.262 4.880 -8.483) 11.619 2.477 ( -2.743 3.593 4.814) 6.604 2.682 ( 5.556 -2.901 5.815) 8.550 2.822 ( 9.349 -2.276 -1.160) 9.692 3.092 ( -1.753 -0.357 4.106) 4.479 3.210 ( -1.714 -14.957 -3.958) 15.567 3.242 ( 2.933 -7.800 -7.998) 11.551 3.396 ( -7.107 -3.267 4.096) 8.829 3.432 ( 4.371 -6.507 4.723) 9.152 3.506 ( 3.509 -2.947 2.549) 5.244 3.756 ( 3.480 7.644 0.672) 8.425 3.810 ( -0.998 5.829 5.099) 7.809 3.911 ( 7.762 -2.032 1.616) 8.185 3.982 ( -4.957 3.051 -4.436) 7.318 4.195 ( -1.084 7.088 3.155) 7.834 4.393 ( 4.762 4.649 5.051) 8.355 4.432 ( 8.040 2.624 7.613) 11.379 4.557 ( 2.222 -0.369 4.515) 5.046 4.659 ( -2.898 3.141 3.328) 5.417 4.775 ( 2.226 4.122 2.719) 5.417 4.915 ( 4.174 -1.987 0.841) 4.699 5.046 ( 0.979 -3.122 -5.890) 6.738 5.100 ( 1.683 2.175 -0.747) 2.850 5.177 ( -0.406 1.729 1.392) 2.257 5.293 ( 1.907 0.296 -2.825) 3.421 5.342 ( 1.273 -0.808 5.496) 5.700 5.501 ( -1.012 -0.715 -3.852) 4.046 5.627 ( 2.596 0.108 5.299) 5.902 5.672 ( -2.636 1.729 1.594) 3.533 5.775 ( -2.281 0.422 3.130) 3.896 5.813 ( -3.297 -4.432 -3.858) 6.737 5.848 ( 0.768 0.856 -0.498) 1.253 5.959 ( -3.021 1.161 -1.094) 3.416 6.075 ( -3.406 -3.023 -1.705) 4.863 6.115 ( -12.848 -1.524 -0.546) 12.949 6.206 ( -0.199 -0.760 -3.523) 3.609 6.296 ( 1.699 -0.231 -2.548) 3.072 6.466 ( -9.269 -2.301 -3.613) 10.210 6.532 ( -10.834 2.268 0.103) 11.069 6.743 ( -3.794 4.830 3.088) 6.874 6.817 ( -3.877 -4.949 3.047) 6.986 7.443 ( 5.032 -0.120 -6.483) 8.208 7.689 ( -6.022 -4.254 -16.977) 18.509 11.995 ( 3.251 0.774 0.314) 3.357 12.100 ( 4.655 -0.905 0.204) 4.747 12.471 ( -3.621 1.041 2.556) 4.553 12.652 ( -2.586 -1.638 -2.029) 3.673 13.138 ( 7.451 0.200 2.148) 7.757 13.243 ( 7.043 -0.023 -1.721) 7.250 13.839 ( -3.668 1.359 3.283) 5.107 13.893 ( -6.439 -0.238 -3.787) 7.474 16.746 ( 1.666 0.734 -1.246) 2.206 16.836 ( 2.465 -0.526 0.391) 2.551 16.986 ( 0.760 -0.130 0.832) 1.134 17.113 ( 0.357 -0.681 -2.008) 2.150 17.232 ( -1.570 0.136 1.587) 2.236 17.319 ( -0.470 -2.486 0.998) 2.720 17.713 ( -0.231 0.314 0.552) 0.676 17.778 ( 0.519 -0.595 -1.055) 1.317 18.557 ( -0.440 0.161 -0.478) 0.669 18.660 ( 0.136 1.852 1.218) 2.221 18.809 ( -1.357 0.282 -2.625) 2.969 18.867 ( 0.531 0.613 0.841) 1.168 28.195 ( 1.030 0.243 -2.026) 2.286 28.258 ( 2.944 -0.650 0.817) 3.124 28.478 ( -1.825 -0.586 1.511) 2.441 28.506 ( -4.678 -1.993 5.901) 7.790 29.845 ( -5.189 1.431 4.377) 6.938 30.009 ( -1.446 -0.937 5.090) 5.374 30.261 ( 0.437 3.097 -2.620) 4.080 31.029 ( -6.213 -8.964 3.666) 11.507 32.085 ( 1.996 -2.298 0.780) 3.142 32.193 ( 2.854 -0.327 1.913) 3.452 32.641 ( -0.906 5.347 -1.942) 5.761 33.044 ( -5.429 0.863 -2.781) 6.160 33.507 ( 4.920 -5.846 0.288) 7.646 34.002 ( -2.674 -3.830 -1.608) 4.940 34.331 ( 6.220 23.738 -3.896) 24.847 36.188 ( 22.754 -15.704 -16.963) 32.436 ======================= Grid point 74 (32/104) ======================= q-point: ( 0.38 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -0.337 10.370 -1.441) 10.475 1.479 ( -1.868 11.553 5.362) 12.873 1.868 ( 8.472 -3.017 6.957) 11.370 2.009 ( 3.855 -0.814 11.221) 11.892 2.074 ( 5.717 0.810 -11.548) 12.911 2.414 ( 9.881 3.737 -9.255) 14.045 2.431 ( -4.518 2.429 4.779) 7.011 2.722 ( -1.879 -6.081 0.281) 6.371 2.863 ( -2.690 -1.442 0.791) 3.154 3.097 ( -3.473 7.180 1.806) 8.178 3.170 ( 2.696 -10.359 -2.252) 10.939 3.258 ( 5.298 -8.525 -6.655) 12.043 3.321 ( -2.075 -2.940 2.728) 4.516 3.510 ( -0.529 -7.826 -0.906) 7.896 3.602 ( 0.325 0.726 4.011) 4.089 3.727 ( -5.892 3.298 -3.680) 7.690 3.811 ( 1.402 4.014 2.387) 4.876 3.943 ( 3.217 2.457 -2.133) 4.576 4.067 ( 2.075 5.157 2.197) 5.977 4.164 ( -1.652 0.281 0.631) 1.791 4.538 ( 4.962 3.125 -0.460) 5.882 4.595 ( 1.351 -1.103 -0.532) 1.824 4.632 ( 5.638 3.523 2.492) 7.100 4.664 ( 1.541 1.153 4.208) 4.627 4.826 ( 3.373 5.822 1.723) 6.945 4.929 ( -1.038 -0.541 -4.055) 4.220 4.988 ( -1.654 2.506 -3.296) 4.459 5.080 ( -5.192 5.361 -2.711) 7.940 5.256 ( 7.485 0.591 3.044) 8.102 5.377 ( 3.349 -3.656 5.316) 7.269 5.417 ( -0.051 -1.680 7.086) 7.282 5.459 ( 0.236 1.633 -1.175) 2.025 5.588 ( -2.132 1.699 -2.210) 3.509 5.698 ( -4.478 -4.184 -1.603) 6.335 5.726 ( 2.891 0.243 3.700) 4.702 5.776 ( -0.877 -0.285 2.796) 2.944 5.805 ( -6.232 -1.071 -2.148) 6.678 5.928 ( -2.012 -4.164 1.714) 4.932 5.976 ( 1.609 -1.111 -0.254) 1.972 6.025 ( -5.533 0.836 -4.228) 7.014 6.118 ( -4.244 -3.270 -1.843) 5.665 6.263 ( -2.026 -1.213 1.131) 2.619 6.363 ( -7.534 0.300 5.105) 9.106 6.441 ( 8.462 0.966 -3.899) 9.367 6.664 ( -4.489 2.040 -1.568) 5.174 6.795 ( -3.390 -0.655 6.732) 7.566 7.413 ( -8.025 -1.291 -10.431) 13.224 7.493 ( 5.149 -2.578 -4.763) 7.472 12.061 ( 3.114 0.752 0.366) 3.224 12.181 ( 3.366 -1.236 -0.032) 3.586 12.421 ( -3.795 0.972 2.570) 4.685 12.594 ( -1.665 -1.657 -1.446) 2.758 13.292 ( 6.327 -0.392 1.449) 6.503 13.365 ( 7.297 0.062 -1.928) 7.548 13.744 ( -5.410 0.384 -2.804) 6.105 13.781 ( -5.412 0.929 2.773) 6.152 16.775 ( 2.441 0.835 -0.870) 2.722 16.894 ( 2.985 -1.180 0.487) 3.247 17.007 ( 0.826 0.922 0.364) 1.290 17.102 ( 0.405 -0.056 -1.729) 1.776 17.188 ( -3.553 0.439 -0.420) 3.605 17.312 ( -0.938 -2.952 0.070) 3.098 17.718 ( 0.116 0.595 0.854) 1.047 17.776 ( 0.262 -0.242 -0.792) 0.869 18.549 ( 0.308 0.323 -0.690) 0.822 18.660 ( -1.780 -0.442 0.837) 2.016 18.785 ( 1.121 1.714 -1.216) 2.382 18.876 ( -0.319 0.445 0.914) 1.065 28.200 ( 1.453 0.715 -2.531) 3.005 28.324 ( 3.076 -1.222 0.962) 3.447 28.444 ( -2.736 -0.116 0.347) 2.760 28.466 ( -4.545 -0.776 5.001) 6.802 29.801 ( -2.873 1.608 3.001) 4.455 30.028 ( -0.968 -1.959 4.275) 4.801 30.254 ( 1.112 3.203 -2.481) 4.202 30.899 ( -7.754 -6.589 -0.187) 10.177 32.121 ( 1.266 -2.268 -0.343) 2.620 32.223 ( -0.001 -2.505 -0.047) 2.505 32.674 ( 2.227 5.548 2.801) 6.602 32.934 ( -3.218 5.786 -0.309) 6.628 33.604 ( 3.601 -8.942 -1.671) 9.784 34.002 ( 1.871 -5.016 5.273) 7.515 34.399 ( 4.569 23.462 -4.107) 24.253 36.370 ( 12.082 -14.965 -14.935) 24.351 ======================= Grid point 75 (33/104) ======================= q-point: (-0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -0.267 10.114 -2.780) 10.493 1.414 ( -5.294 13.753 -3.729) 15.202 1.854 ( -8.428 0.136 -3.965) 9.315 1.984 ( -9.372 0.521 8.743) 12.828 2.313 ( 8.163 -5.969 6.329) 11.930 2.467 ( 6.723 3.465 0.629) 7.589 2.481 ( 2.250 -0.302 -2.350) 3.267 2.707 ( 3.173 -3.663 -1.814) 5.175 2.836 ( -0.481 -1.999 1.775) 2.716 3.025 ( -2.319 0.989 2.712) 3.702 3.235 ( -0.759 0.394 4.511) 4.592 3.277 ( -1.399 -5.402 -6.726) 8.739 3.363 ( 7.232 -8.978 -4.510) 12.379 3.428 ( -5.741 -7.850 -1.009) 9.778 3.492 ( -5.846 4.736 -6.821) 10.155 3.659 ( -1.725 8.672 2.109) 9.090 3.861 ( 1.634 -0.495 -2.098) 2.705 3.918 ( -2.487 0.401 -4.781) 5.404 4.012 ( -5.301 4.170 2.905) 7.344 4.187 ( 1.502 2.312 -1.318) 3.056 4.447 ( -7.789 -1.673 -9.251) 12.209 4.551 ( -5.268 0.671 -6.313) 8.249 4.635 ( -2.931 3.224 2.867) 5.215 4.805 ( 4.839 4.049 2.125) 6.658 4.873 ( 1.078 5.167 -3.555) 6.363 4.900 ( -2.720 5.891 -0.479) 6.506 4.990 ( 1.827 1.236 1.974) 2.961 5.030 ( 4.900 0.848 2.473) 5.554 5.314 ( -2.028 -0.374 1.135) 2.354 5.372 ( -4.165 -1.098 -2.707) 5.087 5.476 ( -5.590 -1.620 3.662) 6.876 5.494 ( 0.625 -0.935 1.252) 1.683 5.554 ( -1.966 1.701 -2.719) 3.761 5.614 ( 6.391 -1.984 3.616) 7.606 5.751 ( 0.087 -4.332 -1.325) 4.531 5.793 ( -1.308 -0.302 4.612) 4.803 5.812 ( 1.109 -1.331 3.161) 3.605 5.895 ( 0.940 0.446 2.031) 2.282 6.003 ( 4.711 0.530 1.842) 5.086 6.032 ( 3.495 -1.323 -1.661) 4.089 6.108 ( 4.669 -5.199 1.940) 7.252 6.167 ( -4.938 -0.929 -0.958) 5.115 6.352 ( -5.607 -3.007 6.677) 9.223 6.487 ( 1.329 0.098 -5.599) 5.755 6.637 ( 3.016 2.279 -0.233) 3.788 6.782 ( -3.959 1.285 5.780) 7.123 7.353 ( 8.280 0.879 -3.064) 8.873 7.571 ( 6.931 -3.070 -1.843) 7.802 12.100 ( 0.178 0.535 0.649) 0.860 12.203 ( -0.773 -1.219 -0.901) 1.701 12.388 ( -1.466 1.128 2.392) 3.024 12.584 ( 1.595 -1.842 -0.363) 2.463 13.334 ( -3.066 0.246 -0.946) 3.218 13.454 ( 3.025 -0.117 -1.986) 3.621 13.677 ( -2.759 0.264 0.658) 2.849 13.733 ( 2.471 0.671 1.116) 2.793 16.820 ( 2.260 0.695 0.751) 2.480 16.928 ( -0.433 -1.404 0.361) 1.513 17.009 ( -1.124 1.339 -0.806) 1.925 17.115 ( -1.790 0.318 -3.062) 3.561 17.120 ( 2.691 0.543 0.464) 2.784 17.277 ( -1.968 -2.791 -1.992) 3.953 17.723 ( -0.547 0.916 0.850) 1.364 17.785 ( 1.096 -0.375 -0.021) 1.159 18.558 ( 0.823 0.214 -0.155) 0.865 18.618 ( -1.689 -0.096 -1.229) 2.090 18.821 ( 2.078 0.947 1.307) 2.631 18.870 ( -0.793 0.650 0.342) 1.081 28.206 ( 1.406 1.042 -2.381) 2.955 28.370 ( -1.339 -1.588 0.799) 2.225 28.389 ( -1.790 -0.117 0.375) 1.833 28.425 ( -2.537 0.049 2.811) 3.787 29.788 ( -0.951 1.335 2.451) 2.948 30.044 ( -1.153 -3.024 4.497) 5.541 30.259 ( 1.419 3.348 -1.926) 4.115 30.784 ( -2.209 -4.367 -3.611) 6.082 32.126 ( -0.006 -1.681 -0.858) 1.887 32.204 ( -1.356 -2.876 -1.369) 3.462 32.727 ( 0.607 3.639 4.372) 5.721 32.940 ( 1.898 5.540 2.776) 6.481 33.598 ( -1.221 -5.257 -2.647) 6.011 34.112 ( 1.876 -2.664 7.420) 8.104 34.446 ( 2.593 18.337 0.480) 18.526 36.408 ( 5.950 -16.069 -16.106) 23.517 ======================= Grid point 76 (34/104) ======================= q-point: (-0.38 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -11.349 9.428 -8.718) 17.137 1.325 ( -6.356 15.842 0.676) 17.083 1.628 ( -7.364 2.867 -3.015) 8.459 1.851 ( -12.654 3.607 9.709) 16.352 2.359 ( -2.752 1.270 1.269) 3.286 2.466 ( -0.206 -2.304 -2.497) 3.404 2.605 ( -1.156 -1.478 1.187) 2.220 2.775 ( 1.097 -6.522 2.414) 7.041 2.901 ( 6.204 1.365 1.231) 6.470 2.997 ( -7.785 -1.306 -4.918) 9.301 3.124 ( -10.427 2.484 -1.679) 10.850 3.154 ( -1.186 -4.540 -0.762) 4.754 3.315 ( 2.958 -2.235 -1.320) 3.935 3.405 ( -2.338 -2.827 0.670) 3.729 3.460 ( 3.833 -4.877 -5.493) 8.286 3.651 ( -2.144 1.454 -5.083) 5.705 3.802 ( -4.476 4.795 -0.192) 6.562 3.837 ( -1.147 -0.586 -0.563) 1.406 3.985 ( -0.538 7.836 1.937) 8.090 4.165 ( -4.947 5.159 -4.401) 8.394 4.276 ( -3.117 -1.112 -4.026) 5.211 4.334 ( -4.545 0.137 -6.403) 7.853 4.609 ( -4.666 0.187 5.091) 6.909 4.755 ( -4.451 2.367 1.777) 5.346 4.854 ( -4.686 5.166 3.431) 7.772 4.939 ( 0.907 1.844 -0.861) 2.228 4.999 ( -2.338 0.651 -4.965) 5.527 5.110 ( 4.772 -0.291 0.775) 4.843 5.215 ( -4.509 -3.133 -0.459) 5.510 5.309 ( -1.746 3.087 -0.391) 3.568 5.442 ( 1.777 -0.032 -2.766) 3.288 5.470 ( -1.285 0.316 -0.783) 1.538 5.567 ( 0.914 -2.850 4.674) 5.550 5.757 ( -3.117 -0.470 2.748) 4.182 5.771 ( -2.540 0.681 5.826) 6.392 5.789 ( 6.327 0.024 -3.537) 7.249 5.864 ( 3.340 -5.074 1.942) 6.378 5.953 ( 0.113 1.101 1.617) 1.960 6.004 ( 1.873 -1.811 1.131) 2.840 6.051 ( 1.091 -1.404 -0.369) 1.816 6.221 ( 7.001 -2.418 -1.437) 7.545 6.281 ( 1.044 -2.697 -1.152) 3.113 6.345 ( 9.877 -2.255 4.834) 11.225 6.493 ( 5.180 2.432 0.894) 5.792 6.737 ( 3.655 -0.490 2.919) 4.704 6.744 ( -3.788 0.934 4.734) 6.134 7.492 ( 6.054 2.071 -3.598) 7.341 7.768 ( 15.603 -3.228 -2.833) 16.183 12.073 ( -3.523 0.181 1.143) 3.708 12.149 ( -3.504 -0.915 -1.261) 3.835 12.412 ( 1.649 1.269 2.184) 3.016 12.636 ( 3.524 -1.973 0.051) 4.039 13.211 ( -7.426 1.360 -1.306) 7.661 13.411 ( -6.138 -1.006 -0.323) 6.228 13.669 ( 2.926 2.225 -1.548) 3.988 13.865 ( 7.779 -1.235 1.907) 8.104 16.859 ( -0.912 -0.272 1.527) 1.799 16.887 ( -2.159 0.378 1.048) 2.429 16.973 ( -1.007 0.352 -0.945) 1.425 17.080 ( 0.463 0.213 -3.314) 3.353 17.190 ( 2.525 0.216 1.250) 2.826 17.219 ( -0.656 -2.071 -3.808) 4.384 17.715 ( -0.786 0.908 0.502) 1.302 17.803 ( 0.528 -0.787 0.050) 0.949 18.554 ( -0.730 0.395 -0.624) 1.038 18.613 ( 1.923 1.009 -0.366) 2.203 18.842 ( -1.181 0.597 -0.280) 1.353 18.881 ( 1.792 0.275 1.602) 2.419 28.212 ( 0.730 0.917 -0.921) 1.491 28.304 ( -3.149 0.658 -1.298) 3.469 28.349 ( -4.203 -0.991 2.558) 5.019 28.444 ( 1.344 -0.760 0.936) 1.806 29.806 ( 0.678 0.946 2.576) 2.827 30.065 ( -1.123 -4.018 6.294) 7.552 30.275 ( 1.503 3.517 -0.661) 3.881 30.759 ( 3.334 -3.707 -6.021) 7.817 32.104 ( -1.994 -2.424 -0.323) 3.155 32.162 ( -1.277 -0.564 -1.662) 2.171 32.777 ( 0.043 3.442 5.445) 6.442 33.024 ( 5.056 -0.026 1.424) 5.253 33.552 ( -2.361 1.534 1.191) 3.057 34.146 ( -0.809 6.119 -1.295) 6.306 34.498 ( -2.254 7.468 9.532) 12.317 36.314 ( 0.281 -19.495 -22.195) 29.542 ======================= Grid point 77 (35/104) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -14.347 11.869 -6.718) 19.794 1.077 ( -18.847 12.849 6.543) 23.730 1.598 ( -1.755 9.288 1.535) 9.576 1.680 ( -11.742 8.805 5.858) 15.803 2.252 ( -16.847 7.589 -7.325) 19.876 2.343 ( -5.722 2.782 -5.411) 8.353 2.461 ( -0.727 0.638 5.758) 5.839 2.739 ( -9.311 -4.922 0.553) 10.546 2.797 ( -7.440 -8.165 -1.839) 11.198 2.915 ( -5.608 -1.286 0.841) 5.814 3.078 ( 5.248 -1.957 2.087) 5.977 3.245 ( 5.633 -0.331 0.584) 5.673 3.347 ( 2.298 -3.458 -5.696) 7.049 3.412 ( 3.803 -3.172 -0.973) 5.047 3.490 ( 1.542 -0.028 1.048) 1.865 3.556 ( -0.273 -1.456 -1.481) 2.095 3.723 ( -4.140 6.108 -1.568) 7.544 3.819 ( -3.376 2.952 4.340) 6.241 3.944 ( -3.474 5.529 -2.056) 6.846 4.085 ( -4.391 1.244 -2.249) 5.088 4.156 ( 2.905 6.830 2.084) 7.709 4.357 ( 0.910 -2.102 0.717) 2.401 4.558 ( -5.391 -1.159 7.742) 9.505 4.732 ( -2.725 0.396 5.313) 5.984 4.740 ( -7.769 -0.108 3.870) 8.680 4.893 ( -2.617 -2.461 -2.732) 4.514 4.975 ( 1.043 2.943 1.368) 3.409 5.097 ( -5.051 1.475 -4.296) 6.793 5.238 ( 1.030 1.587 -0.728) 2.027 5.245 ( 1.782 -4.312 1.110) 4.796 5.432 ( 0.317 -1.354 -3.392) 3.666 5.499 ( 1.635 -1.081 -0.850) 2.136 5.618 ( 0.911 -0.662 4.822) 4.952 5.707 ( -1.644 0.355 0.885) 1.900 5.742 ( -2.530 -0.320 1.913) 3.188 5.839 ( 2.438 3.970 -0.093) 4.660 5.961 ( 1.673 0.361 -2.216) 2.800 5.987 ( 6.803 -3.262 -1.305) 7.656 6.063 ( 3.786 -2.440 -2.237) 5.029 6.120 ( 2.414 -1.199 1.391) 3.033 6.283 ( 3.494 -3.307 0.590) 4.847 6.322 ( 4.246 -3.001 -0.346) 5.211 6.566 ( 6.001 -0.516 2.923) 6.695 6.676 ( 8.128 -0.175 2.556) 8.522 6.707 ( 1.652 2.569 2.025) 3.664 6.822 ( 2.173 -3.781 2.123) 4.850 7.519 ( 1.196 4.998 -4.924) 7.117 7.993 ( 12.788 -2.368 -12.349) 17.934 12.007 ( -4.187 -0.010 1.262) 4.373 12.071 ( -3.611 -0.533 -0.952) 3.772 12.469 ( 2.161 0.942 2.366) 3.340 12.700 ( 3.195 -1.969 -0.272) 3.763 13.070 ( -6.538 1.646 -0.179) 6.744 13.273 ( -7.454 -1.088 -0.262) 7.538 13.731 ( 4.708 3.284 -1.468) 5.925 14.013 ( 6.232 -1.947 1.193) 6.638 16.806 ( -2.094 0.114 -1.038) 2.340 16.889 ( -2.571 -2.112 4.140) 5.312 16.969 ( 0.671 1.098 0.366) 1.338 17.069 ( 1.142 -0.088 -2.896) 3.114 17.170 ( 0.765 -0.907 -3.863) 4.041 17.246 ( 0.600 -0.136 1.154) 1.307 17.707 ( -0.210 1.011 0.194) 1.051 17.801 ( -0.574 -0.849 -0.229) 1.050 18.549 ( 1.066 2.437 -0.451) 2.698 18.655 ( 2.006 0.447 0.582) 2.136 18.804 ( -1.709 1.329 -2.242) 3.117 18.925 ( 1.275 -0.386 1.466) 1.981 28.210 ( -1.505 -0.303 1.103) 1.891 28.263 ( 0.016 1.953 0.742) 2.090 28.292 ( -3.526 -0.719 1.470) 3.887 28.471 ( 0.547 -1.016 1.242) 1.695 29.851 ( 1.488 0.462 2.695) 3.113 30.119 ( -0.230 -6.780 10.849) 12.795 30.309 ( 1.361 3.025 2.941) 4.433 30.790 ( 5.568 -4.070 -7.048) 9.861 32.058 ( -2.118 -1.497 -0.264) 2.607 32.129 ( -1.828 -0.003 0.124) 1.832 32.809 ( -0.472 4.212 3.145) 5.278 33.145 ( 6.342 -5.667 1.502) 8.636 33.547 ( 0.046 7.117 2.960) 7.708 34.084 ( -0.936 13.243 -8.076) 15.540 34.492 ( -8.395 1.381 12.117) 14.805 35.993 ( -11.147 -23.681 -36.573) 44.974 ======================= Grid point 78 (36/104) ======================= q-point: (-0.12 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -7.089 18.901 4.550) 20.694 0.855 ( -13.497 17.510 16.089) 27.342 1.348 ( -22.617 29.376 11.598) 38.845 1.608 ( -1.584 -1.124 -3.390) 3.906 1.957 ( -2.330 9.667 -4.676) 10.989 2.294 ( 1.662 4.502 -6.247) 7.877 2.550 ( -6.193 -8.686 0.626) 10.685 2.560 ( -5.811 -7.410 2.171) 9.664 2.645 ( -0.517 1.162 10.266) 10.344 2.855 ( -3.832 -1.913 6.005) 7.375 3.192 ( 3.365 -4.347 4.102) 6.859 3.271 ( -0.232 -4.091 -4.686) 6.225 3.381 ( 4.539 -2.937 -4.229) 6.864 3.440 ( -0.052 -4.423 -1.429) 4.648 3.511 ( 3.371 1.413 -4.296) 5.640 3.626 ( 0.536 2.894 0.340) 2.962 3.666 ( 0.895 6.229 3.451) 7.177 3.777 ( -4.155 3.503 5.406) 7.665 3.910 ( 0.428 3.052 3.744) 4.849 4.078 ( 1.756 2.298 3.100) 4.239 4.221 ( 0.522 -0.834 0.660) 1.185 4.350 ( -3.739 0.726 2.463) 4.536 4.525 ( -2.568 -0.303 2.118) 3.343 4.666 ( -4.508 2.303 7.666) 9.187 4.780 ( -0.506 -6.521 3.348) 7.348 4.824 ( -3.336 -2.887 8.130) 9.250 5.002 ( -0.469 2.776 2.048) 3.482 5.075 ( 5.633 -1.498 5.489) 8.007 5.186 ( -1.569 3.636 2.311) 4.585 5.337 ( 2.879 -10.666 -7.116) 13.141 5.437 ( 4.555 -2.996 0.766) 5.506 5.511 ( -0.150 -3.089 2.152) 3.768 5.621 ( -2.486 0.943 -1.052) 2.860 5.681 ( -3.485 -1.096 1.837) 4.089 5.752 ( 1.922 0.730 -3.922) 4.428 5.871 ( 0.331 1.096 -1.371) 1.787 5.981 ( 3.389 0.868 -2.884) 4.534 6.036 ( -2.758 -1.859 -0.663) 3.391 6.094 ( 5.560 -3.592 -0.170) 6.622 6.209 ( 7.557 4.600 -1.948) 9.059 6.339 ( 0.548 -3.220 1.394) 3.552 6.427 ( 6.152 -3.861 0.177) 7.266 6.591 ( -2.053 -0.977 2.726) 3.550 6.694 ( -2.586 -5.346 -0.941) 6.013 6.874 ( 5.212 -0.041 0.589) 5.245 6.902 ( 6.457 2.719 0.691) 7.040 7.471 ( -0.208 8.581 -7.137) 11.163 7.964 ( 0.550 6.017 -25.773) 26.472 11.949 ( -2.883 0.132 0.921) 3.030 12.010 ( -2.067 -0.265 -0.607) 2.171 12.519 ( 0.697 0.016 2.366) 2.467 12.742 ( 1.780 -1.953 -0.991) 2.823 12.978 ( -3.640 1.476 1.040) 4.064 13.153 ( -4.572 -1.100 -0.414) 4.721 13.813 ( 4.895 4.190 -1.166) 6.548 14.102 ( 2.757 -2.215 -0.415) 3.561 16.780 ( -0.079 -0.216 -0.567) 0.612 16.855 ( -4.450 -4.397 2.702) 6.814 16.967 ( -0.299 1.333 -1.913) 2.351 17.081 ( 2.204 -0.348 -1.906) 2.935 17.199 ( 3.460 0.054 1.766) 3.885 17.239 ( -1.996 -0.171 1.212) 2.342 17.710 ( 0.257 0.838 0.100) 0.882 17.789 ( -0.342 -0.223 -0.207) 0.457 18.596 ( 4.050 3.665 0.046) 5.462 18.690 ( 1.184 0.376 1.044) 1.623 18.733 ( -2.774 3.081 -5.250) 6.689 18.946 ( -0.069 -0.438 0.287) 0.528 28.187 ( -0.901 0.279 -0.067) 0.945 28.244 ( -2.396 -0.928 0.571) 2.632 28.340 ( 3.706 -1.281 9.736) 10.496 28.487 ( -0.073 -1.027 1.581) 1.887 29.894 ( 0.743 0.384 2.166) 2.322 30.218 ( 0.395 -9.821 7.578) 12.411 30.404 ( -1.591 -10.728 20.236) 22.959 30.848 ( 6.214 -5.185 -5.137) 9.585 32.039 ( 0.015 -0.164 0.921) 0.936 32.093 ( -2.382 -0.467 0.917) 2.595 32.807 ( -1.562 4.006 -0.322) 4.311 33.250 ( 2.059 -3.474 0.540) 4.075 33.603 ( 4.052 6.838 1.129) 8.028 34.023 ( 6.342 19.894 -14.626) 25.494 34.409 ( -6.184 3.078 7.590) 10.262 35.216 ( -33.265 -8.710 -43.828) 55.707 ======================= Grid point 79 (37/104) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 1.657 19.818 8.281) 21.542 1.248 ( -4.202 19.073 12.021) 22.934 1.581 ( 8.133 -3.750 5.656) 10.592 1.822 ( -3.653 13.646 2.369) 14.324 2.163 ( 5.216 4.303 -0.685) 6.796 2.246 ( 0.728 2.416 4.356) 5.034 2.359 ( 2.330 -5.216 2.283) 6.152 2.534 ( 2.110 11.707 -9.022) 14.930 2.757 ( -2.590 5.577 3.408) 7.030 2.778 ( -4.308 -1.668 3.178) 5.607 3.040 ( 3.535 -10.821 -5.053) 12.455 3.121 ( -3.387 -9.525 -6.521) 12.029 3.257 ( -0.608 -7.696 -1.215) 7.815 3.363 ( 1.066 -2.021 0.715) 2.394 3.579 ( 0.517 -1.454 -4.133) 4.412 3.622 ( 0.078 -0.390 -1.987) 2.027 3.790 ( 2.258 4.319 4.755) 6.809 3.869 ( -1.426 -1.221 4.239) 4.636 4.115 ( 3.046 5.663 10.140) 12.007 4.183 ( 1.367 2.648 1.531) 3.350 4.239 ( 4.901 5.457 2.856) 7.871 4.328 ( -3.675 3.456 4.123) 6.516 4.526 ( -4.961 -4.949 7.361) 10.163 4.644 ( 1.158 5.495 4.330) 7.091 4.711 ( -9.036 -2.882 4.782) 10.622 4.799 ( 2.201 -1.105 6.645) 7.087 4.929 ( -1.008 -10.356 1.486) 10.510 5.044 ( -2.776 -11.789 2.501) 12.367 5.183 ( 2.884 5.979 -2.383) 7.054 5.279 ( 4.068 6.533 1.016) 7.763 5.396 ( -1.400 -4.707 -3.174) 5.848 5.447 ( -0.857 -0.243 3.563) 3.672 5.545 ( 1.220 -2.984 -1.762) 3.674 5.632 ( -2.840 -2.356 0.479) 3.721 5.725 ( 1.602 2.377 1.073) 3.061 5.921 ( 0.520 -2.396 -0.147) 2.456 5.990 ( 1.887 1.966 -2.393) 3.626 6.059 ( -0.513 3.067 0.493) 3.149 6.124 ( 2.945 -0.929 -2.301) 3.851 6.251 ( -2.699 -3.583 1.913) 4.876 6.257 ( 1.080 -4.140 1.042) 4.404 6.397 ( -3.597 -7.193 0.908) 8.093 6.529 ( 2.186 1.450 -1.512) 3.028 6.644 ( -1.015 -2.099 -1.399) 2.719 6.971 ( -2.006 2.593 -2.128) 3.908 7.017 ( 1.142 1.022 -0.095) 1.535 7.624 ( 1.217 9.552 -11.743) 15.186 7.878 ( 2.574 -0.946 -20.933) 21.111 11.942 ( -0.020 1.072 0.302) 1.114 11.980 ( 0.299 -0.648 -0.113) 0.723 12.559 ( -0.634 2.464 1.125) 2.782 12.692 ( -0.142 -3.263 -1.107) 3.449 12.988 ( -0.104 2.163 1.026) 2.397 13.080 ( 0.238 -1.909 0.042) 1.924 13.934 ( 0.757 3.040 -0.525) 3.176 14.056 ( -0.634 -2.777 -1.427) 3.187 16.759 ( -1.726 -0.102 0.913) 1.955 16.773 ( -0.064 -0.838 0.588) 1.025 16.988 ( 0.256 2.275 -2.269) 3.224 17.080 ( 1.486 -1.826 -2.302) 3.293 17.219 ( -0.613 0.242 1.860) 1.974 17.244 ( 0.537 -1.274 2.245) 2.636 17.735 ( 0.153 1.092 -0.271) 1.135 17.774 ( -0.186 -0.556 -0.723) 0.931 18.647 ( -1.297 1.421 -0.413) 1.968 18.685 ( -0.612 -0.245 -0.199) 0.689 18.813 ( 2.341 2.923 -0.877) 3.846 18.905 ( -1.384 -1.453 -0.658) 2.112 28.185 ( -0.210 -0.033 0.891) 0.916 28.199 ( -0.680 -0.630 0.016) 0.927 28.416 ( 0.526 -0.845 6.230) 6.310 28.466 ( -0.350 -1.713 2.049) 2.694 29.935 ( -0.437 1.158 2.617) 2.895 30.019 ( -5.592 -4.491 8.385) 11.034 30.399 ( -1.073 5.414 0.038) 5.520 30.756 ( 3.949 -10.130 -1.669) 11.000 32.040 ( -0.393 0.415 1.083) 1.224 32.074 ( 0.638 -0.861 2.269) 2.509 32.855 ( -2.419 5.277 -4.454) 7.317 33.087 ( -6.998 -5.379 -6.419) 10.914 33.791 ( -1.841 8.004 1.496) 8.348 34.031 ( 0.243 -3.122 -2.859) 4.240 34.717 ( -4.394 7.516 -2.677) 9.109 34.904 ( 24.128 -0.355 -3.313) 24.357 ======================= Grid point 80 (38/104) ======================= q-point: ( 0.12 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 10.786 16.920 10.029) 22.432 1.325 ( 2.325 13.947 10.262) 17.471 1.727 ( 2.320 0.947 3.844) 4.589 1.849 ( 1.572 8.422 4.618) 9.733 2.220 ( 3.502 -7.018 -4.563) 9.074 2.365 ( 2.087 -5.237 5.360) 7.779 2.435 ( 0.995 8.036 -1.174) 8.182 2.560 ( 7.441 8.579 -7.168) 13.429 2.719 ( 5.060 12.908 3.542) 14.310 2.837 ( 2.226 -10.310 10.371) 14.792 3.008 ( 1.112 -10.204 -9.847) 14.224 3.066 ( 2.406 -11.652 -7.820) 14.238 3.236 ( 0.853 -5.537 -2.841) 6.281 3.375 ( -1.366 -0.816 2.830) 3.247 3.524 ( -3.740 -0.797 1.205) 4.009 3.669 ( 5.743 -5.305 -1.742) 8.010 3.865 ( 0.762 4.448 0.791) 4.582 3.891 ( 1.345 3.661 6.167) 7.296 4.153 ( -2.108 3.260 -0.233) 3.889 4.266 ( 0.238 3.843 7.528) 8.455 4.316 ( 2.425 3.892 6.432) 7.899 4.417 ( 6.229 6.196 5.489) 10.359 4.498 ( -7.333 0.366 13.054) 14.977 4.661 ( 3.047 -2.374 2.136) 4.414 4.734 ( 4.140 3.204 4.804) 7.105 4.848 ( -0.906 -1.842 -2.618) 3.327 4.961 ( 2.851 -4.288 4.919) 7.121 5.014 ( -0.373 -8.621 3.474) 9.302 5.192 ( 0.256 4.176 -1.948) 4.615 5.324 ( -2.661 -1.133 -1.459) 3.240 5.351 ( 2.091 2.550 -6.311) 7.121 5.517 ( 2.431 0.999 4.760) 5.437 5.558 ( 1.679 -0.918 3.304) 3.819 5.619 ( 0.788 0.010 1.153) 1.397 5.761 ( -0.094 -0.212 0.790) 0.824 5.903 ( -2.922 -1.274 -0.244) 3.197 5.959 ( -2.475 2.902 -4.616) 5.988 6.024 ( -2.336 1.104 -0.251) 2.596 6.102 ( -2.948 0.331 0.149) 2.970 6.230 ( -1.515 -4.837 2.489) 5.647 6.263 ( -4.960 -3.234 -0.713) 5.964 6.276 ( -5.270 -3.530 -0.440) 6.358 6.556 ( -3.292 -1.583 -3.446) 5.022 6.604 ( 2.043 -5.239 0.788) 5.678 6.842 ( -8.630 4.841 -2.727) 10.264 6.959 ( -6.454 0.532 -0.437) 6.491 7.529 ( 0.560 6.443 -13.000) 14.520 7.761 ( 1.869 -4.341 -19.327) 19.896 11.964 ( 2.018 1.169 0.274) 2.348 12.009 ( 2.722 -0.881 0.057) 2.862 12.543 ( -2.089 2.308 1.178) 3.328 12.663 ( -1.789 -2.925 -1.383) 3.697 13.035 ( 4.137 1.969 1.305) 4.764 13.125 ( 4.419 -1.730 -0.352) 4.759 13.918 ( -2.268 2.420 0.768) 3.405 13.999 ( -3.787 -1.634 -2.167) 4.658 16.749 ( 0.226 0.749 0.129) 0.793 16.787 ( 0.942 -0.993 0.528) 1.467 16.981 ( 0.697 1.866 -1.055) 2.254 17.083 ( 1.033 -2.256 -2.152) 3.284 17.232 ( -0.107 0.251 1.943) 1.962 17.264 ( -0.072 -1.770 1.977) 2.655 17.731 ( -0.332 0.889 -0.272) 0.988 17.765 ( 0.048 -0.580 -0.834) 1.017 18.611 ( -1.687 2.416 -0.189) 2.953 18.678 ( -0.389 -0.188 0.256) 0.502 18.843 ( 0.716 0.907 -0.110) 1.160 18.870 ( -0.855 -0.368 -1.359) 1.647 28.192 ( 0.502 -0.105 -0.333) 0.611 28.202 ( 1.118 -0.374 0.519) 1.288 28.458 ( -1.267 -1.573 5.319) 5.690 28.474 ( -0.811 -1.426 2.417) 2.921 29.927 ( -3.403 1.167 3.574) 5.071 29.986 ( -3.408 -1.625 5.608) 6.760 30.380 ( -0.304 6.877 -1.226) 6.992 30.809 ( 1.546 -12.352 0.498) 12.458 32.059 ( 0.408 1.384 1.626) 2.174 32.115 ( 2.131 -0.449 1.853) 2.859 32.795 ( -1.739 2.554 -3.773) 4.877 32.936 ( 0.138 -6.128 -4.941) 7.873 33.690 ( -7.779 9.595 -1.532) 12.447 33.994 ( -3.508 -4.930 -2.168) 6.427 34.709 ( 5.535 19.118 -1.288) 19.945 35.411 ( 28.238 -16.364 -5.049) 33.025 ======================= Grid point 81 (39/104) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 5.582 12.730 4.793) 14.703 1.588 ( 14.822 8.700 7.181) 18.627 1.811 ( -0.540 6.917 4.231) 8.127 1.859 ( -0.435 5.790 5.875) 8.260 2.148 ( -1.567 -5.957 -12.341) 13.793 2.411 ( 1.436 0.510 -1.916) 2.448 2.493 ( 6.099 1.817 3.306) 7.171 2.689 ( -2.225 1.031 5.425) 5.954 2.731 ( 6.691 -1.883 -2.948) 7.550 2.905 ( -3.947 -9.862 -5.466) 11.946 3.056 ( 5.739 -9.292 -8.834) 14.047 3.151 ( 10.452 -0.602 6.766) 12.465 3.245 ( 0.040 -4.975 -0.693) 5.023 3.367 ( -1.297 -1.275 4.110) 4.494 3.507 ( 1.922 2.563 3.536) 4.772 3.772 ( 4.699 -7.007 -2.096) 8.693 3.900 ( 1.760 5.104 0.394) 5.413 3.953 ( 3.340 2.859 2.541) 5.078 4.074 ( -5.628 6.300 0.169) 8.449 4.262 ( -3.080 0.366 2.189) 3.796 4.476 ( 5.141 2.528 5.675) 8.064 4.529 ( 1.363 1.744 10.356) 10.590 4.571 ( 6.421 5.296 2.654) 8.736 4.739 ( -0.850 4.291 2.550) 5.064 4.824 ( 3.959 -0.696 0.858) 4.110 4.892 ( 6.316 -0.786 -1.165) 6.470 4.992 ( 2.764 -1.241 0.672) 3.103 5.155 ( 4.926 -1.111 5.132) 7.200 5.171 ( 0.230 2.409 2.370) 3.387 5.277 ( -1.092 -1.221 -1.449) 2.187 5.333 ( -0.281 0.638 3.144) 3.221 5.529 ( 0.214 2.251 -3.664) 4.306 5.615 ( -0.300 -4.123 0.398) 4.153 5.671 ( -0.172 -1.831 3.413) 3.877 5.743 ( -1.120 0.174 -0.089) 1.136 5.810 ( -6.299 1.617 1.491) 6.672 5.870 ( -2.379 1.975 -4.007) 5.061 5.957 ( -2.909 -1.740 -2.612) 4.279 6.042 ( -6.932 1.615 2.655) 7.597 6.112 ( -8.140 0.727 0.964) 8.229 6.178 ( -1.808 -1.702 -1.681) 2.998 6.237 ( -1.064 -4.248 1.793) 4.732 6.433 ( -4.410 -0.541 -6.403) 7.793 6.590 ( -9.304 -1.236 -0.542) 9.401 6.697 ( -0.898 -1.166 1.016) 1.788 6.821 ( -6.477 0.587 -0.713) 6.543 7.457 ( 2.089 1.738 -9.932) 10.297 7.595 ( -4.326 -4.431 -14.728) 15.977 12.017 ( 3.323 1.287 0.285) 3.575 12.076 ( 4.098 -1.386 0.201) 4.330 12.503 ( -3.269 2.007 1.274) 4.042 12.607 ( -2.739 -2.627 -1.359) 4.031 13.154 ( 6.939 1.357 1.437) 7.215 13.228 ( 6.815 -1.458 -0.802) 7.015 13.868 ( -4.121 1.231 1.554) 4.573 13.889 ( -5.683 -0.111 -2.253) 6.114 16.766 ( 1.660 1.204 -0.550) 2.123 16.818 ( 2.092 -1.135 0.297) 2.399 16.998 ( 1.507 1.414 0.082) 2.068 17.086 ( 1.051 -1.909 -1.716) 2.774 17.235 ( -1.106 0.249 1.188) 1.643 17.271 ( -0.910 -1.852 1.272) 2.425 17.724 ( -0.001 0.789 -0.135) 0.801 17.763 ( 0.443 -0.832 -0.695) 1.171 18.585 ( -1.189 2.284 0.192) 2.582 18.669 ( -1.289 -0.844 0.957) 1.814 18.827 ( -0.364 1.320 -1.542) 2.062 18.870 ( 0.473 -0.344 0.132) 0.600 28.203 ( 1.320 0.573 -1.116) 1.821 28.240 ( 2.258 -1.055 0.621) 2.569 28.463 ( -1.926 -0.704 3.376) 3.950 28.472 ( -1.918 -1.113 2.891) 3.643 29.884 ( -3.974 2.246 3.598) 5.812 29.979 ( -1.830 -1.984 3.661) 4.549 30.366 ( 0.034 7.307 -1.582) 7.476 30.801 ( -2.959 -12.320 0.464) 12.679 32.074 ( 0.451 1.057 0.885) 1.451 32.166 ( 0.922 -2.117 1.097) 2.556 32.754 ( 1.641 5.486 -1.355) 5.884 32.986 ( 3.286 -5.486 0.516) 6.416 33.548 ( -3.779 7.536 -2.225) 8.718 33.890 ( -4.262 -6.935 -1.998) 8.382 34.831 ( 7.778 24.462 -2.951) 25.838 35.790 ( 18.321 -21.865 -8.330) 29.718 ======================= Grid point 82 (40/104) ======================= q-point: ( 0.38 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 2.203 11.973 -2.214) 12.373 1.709 ( 0.027 7.437 -0.378) 7.447 1.947 ( 2.469 -4.994 6.874) 8.848 1.959 ( 7.212 12.887 7.125) 16.397 2.041 ( 0.671 -4.373 -5.985) 7.443 2.439 ( 3.041 -0.215 -2.384) 3.871 2.570 ( -7.637 6.507 4.847) 11.143 2.624 ( 3.614 -1.307 0.002) 3.843 2.808 ( -0.146 -7.307 -4.670) 8.673 2.930 ( 11.406 -5.182 -1.443) 12.611 3.070 ( -0.971 -8.547 -4.424) 9.673 3.203 ( 1.274 -9.640 0.370) 9.731 3.256 ( -2.111 4.480 1.782) 5.263 3.353 ( -4.824 -2.897 1.407) 5.800 3.641 ( 4.383 2.850 -0.894) 5.304 3.773 ( 1.829 -0.749 -1.804) 2.676 3.915 ( -2.283 5.237 1.793) 5.988 4.018 ( -0.101 4.783 -0.640) 4.826 4.087 ( 6.814 -1.762 2.040) 7.328 4.181 ( -5.678 0.188 -0.044) 5.682 4.558 ( -1.515 -1.309 -0.113) 2.005 4.606 ( 2.688 0.528 -2.186) 3.504 4.706 ( -0.707 4.025 2.531) 4.807 4.769 ( 10.242 9.053 1.757) 13.782 4.870 ( 2.027 -1.432 -2.411) 3.460 4.950 ( 2.798 1.444 1.038) 3.315 5.093 ( 1.107 7.462 0.988) 7.608 5.157 ( -0.677 2.175 0.169) 2.284 5.295 ( 6.260 0.118 4.162) 7.518 5.303 ( -3.996 -0.603 1.330) 4.254 5.370 ( 3.055 -2.396 6.590) 7.648 5.495 ( 0.361 0.008 -0.485) 0.604 5.585 ( -0.663 -4.550 -1.743) 4.917 5.642 ( -8.741 0.820 -0.591) 8.799 5.675 ( -1.385 -5.382 -1.841) 5.855 5.756 ( -1.355 -1.023 3.374) 3.777 5.842 ( -0.316 4.357 -0.663) 4.419 5.872 ( -2.461 1.647 2.556) 3.912 5.938 ( -0.419 -1.127 -0.325) 1.246 6.050 ( -5.358 -0.448 0.906) 5.453 6.069 ( -6.692 -0.708 -1.719) 6.945 6.233 ( -1.405 -2.483 2.470) 3.773 6.366 ( -7.640 0.414 5.019) 9.150 6.426 ( 4.095 -2.230 -9.339) 10.439 6.664 ( -2.856 -0.919 -1.583) 3.392 6.772 ( -0.923 -2.870 3.848) 4.888 7.394 ( -2.784 0.243 -9.189) 9.605 7.453 ( 2.382 -1.353 -4.362) 5.151 12.082 ( 3.057 1.333 0.256) 3.345 12.149 ( 3.172 -1.745 0.001) 3.620 12.450 ( -3.241 1.859 1.394) 3.988 12.549 ( -2.051 -2.565 -0.897) 3.404 13.294 ( 6.120 0.676 0.997) 6.237 13.351 ( 6.705 -1.357 -0.709) 6.878 13.763 ( -5.219 1.341 -2.003) 5.749 13.796 ( -4.909 0.283 1.364) 5.103 16.799 ( 2.173 1.432 -0.197) 2.610 16.865 ( 2.301 -1.598 0.489) 2.844 17.032 ( 1.734 1.482 0.036) 2.282 17.092 ( 1.020 -0.964 -1.498) 2.053 17.201 ( -2.959 0.757 -0.494) 3.094 17.253 ( -1.421 -2.373 0.158) 2.770 17.732 ( 0.648 0.780 0.393) 1.087 17.767 ( 0.345 -0.651 -0.359) 0.819 18.571 ( -0.405 1.754 0.226) 1.814 18.643 ( -2.152 -1.169 0.675) 2.540 18.823 ( 0.861 1.773 -0.732) 2.103 18.876 ( 0.018 -0.550 0.213) 0.590 28.220 ( 1.617 1.279 -1.540) 2.573 28.290 ( 2.324 -1.910 0.625) 3.072 28.442 ( -2.385 -0.037 1.103) 2.627 28.451 ( -2.907 -0.561 3.090) 4.279 29.846 ( -2.880 2.695 2.871) 4.878 29.974 ( -1.670 -3.107 2.997) 4.628 30.357 ( 0.377 6.807 -1.466) 6.973 30.726 ( -3.875 -9.688 -1.262) 10.510 32.093 ( 0.810 -0.261 0.386) 0.935 32.162 ( -1.051 -3.022 -0.218) 3.207 32.807 ( 1.977 6.800 1.303) 7.201 33.005 ( -0.802 -0.324 0.374) 0.942 33.540 ( 2.193 2.982 0.916) 3.813 33.860 ( 1.060 -8.397 4.381) 9.530 34.915 ( 4.784 26.255 -5.657) 27.281 35.966 ( 9.622 -23.296 -10.812) 27.426 ======================= Grid point 83 (41/104) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -2.100 11.029 -4.926) 12.261 1.712 ( 0.560 11.145 -5.382) 12.389 1.888 ( -7.625 -1.916 3.840) 8.750 2.043 ( -4.018 9.862 3.333) 11.158 2.168 ( 6.401 -5.828 5.668) 10.347 2.454 ( 0.462 -0.322 -1.025) 1.170 2.547 ( 1.983 0.319 5.461) 5.819 2.640 ( -2.038 1.158 0.420) 2.381 2.836 ( 6.729 -2.298 -5.515) 8.999 2.968 ( -5.433 -9.983 -3.509) 11.895 3.077 ( 1.936 -7.290 -0.878) 7.594 3.212 ( 1.919 -1.889 -2.186) 3.469 3.257 ( 2.785 -6.634 -1.836) 7.425 3.268 ( -3.431 -0.329 3.144) 4.666 3.618 ( -1.852 6.654 -4.716) 8.363 3.790 ( -1.793 0.341 -2.485) 3.083 3.869 ( -3.155 3.613 -0.147) 4.799 3.973 ( -4.890 3.894 -0.549) 6.275 4.111 ( 0.065 4.314 1.120) 4.458 4.184 ( 2.263 -2.354 -0.093) 3.267 4.424 ( -7.191 0.094 -7.657) 10.505 4.546 ( -4.945 -2.406 -5.768) 7.969 4.725 ( -1.717 5.870 1.090) 6.212 4.901 ( 1.046 2.277 -0.362) 2.532 4.982 ( 6.279 3.088 2.060) 7.295 4.991 ( 2.876 5.854 -0.614) 6.551 5.057 ( -2.178 4.863 -1.091) 5.439 5.069 ( -5.442 4.200 -1.271) 6.991 5.288 ( 0.831 -2.320 2.785) 3.719 5.359 ( -7.473 -2.429 -1.226) 7.953 5.437 ( -3.832 -1.573 5.208) 6.654 5.487 ( -1.270 0.293 -0.478) 1.389 5.544 ( 2.381 -6.136 -2.421) 7.013 5.588 ( 6.798 -2.063 2.764) 7.622 5.633 ( -0.192 0.491 -0.934) 1.072 5.782 ( -2.488 -1.291 3.881) 4.788 5.840 ( -1.173 3.288 4.463) 5.666 5.895 ( 1.836 0.486 3.074) 3.614 5.979 ( 3.465 -3.913 0.237) 5.232 6.002 ( -2.443 -2.469 1.894) 3.957 6.059 ( 5.928 2.756 3.042) 7.210 6.161 ( -0.567 0.343 -1.827) 1.943 6.278 ( -5.752 -3.180 1.359) 6.712 6.447 ( 3.514 -5.028 -7.602) 9.768 6.666 ( 2.397 1.398 2.344) 3.633 6.779 ( -1.920 -2.008 4.005) 4.875 7.393 ( 8.119 2.943 -2.166) 8.903 7.508 ( 6.240 -2.706 -1.370) 6.938 12.116 ( -0.125 1.031 0.281) 1.076 12.173 ( -0.605 -1.598 -0.611) 1.814 12.422 ( -0.631 2.137 1.428) 2.647 12.534 ( 1.135 -2.869 -0.085) 3.087 13.350 ( -1.617 1.382 -0.037) 2.127 13.434 ( 1.252 -1.853 -0.112) 2.239 13.695 ( -0.342 1.497 -1.031) 1.850 13.742 ( 0.422 -0.019 0.311) 0.525 16.840 ( 1.534 1.215 1.210) 2.300 16.897 ( 0.100 -1.512 0.994) 1.812 17.039 ( -1.005 1.594 -1.339) 2.312 17.100 ( 0.231 -1.123 -1.530) 1.912 17.150 ( 0.342 1.544 -1.151) 1.956 17.220 ( -1.551 -2.393 -1.357) 3.158 17.743 ( -0.227 0.936 0.571) 1.120 17.775 ( 0.700 -0.601 0.098) 0.928 18.573 ( 0.163 1.257 0.452) 1.346 18.614 ( -0.696 -0.318 -0.033) 0.766 18.841 ( 1.032 0.912 0.396) 1.433 18.875 ( -0.226 -0.360 -0.070) 0.431 28.235 ( 1.152 1.714 -1.358) 2.471 28.324 ( 0.013 -2.501 0.999) 2.693 28.397 ( -2.725 0.623 0.090) 2.797 28.421 ( -1.893 -0.387 1.514) 2.454 29.828 ( -1.302 2.584 2.393) 3.755 29.970 ( -1.237 -3.911 2.781) 4.956 30.358 ( 0.870 6.167 -1.080) 6.321 30.662 ( -0.726 -7.234 -2.909) 7.830 32.099 ( -0.518 -0.659 -0.149) 0.851 32.146 ( -0.186 -2.560 -0.357) 2.592 32.824 ( -0.077 5.313 0.749) 5.366 32.995 ( -0.416 -0.889 -0.389) 1.056 33.604 ( 1.811 5.811 5.446) 8.167 33.979 ( 2.807 -8.870 11.680) 14.933 34.912 ( 0.945 25.259 -7.852) 26.468 35.978 ( 2.733 -24.581 -14.022) 28.431 ======================= Grid point 84 (42/104) ======================= q-point: (-0.38 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -8.582 11.274 -7.241) 15.912 1.599 ( -10.835 6.192 -3.686) 13.013 1.767 ( -3.602 10.276 -0.969) 10.931 1.978 ( -6.536 11.576 8.299) 15.671 2.300 ( 2.392 -8.255 3.932) 9.451 2.437 ( -0.803 2.904 -2.101) 3.673 2.601 ( 0.568 -10.364 1.056) 10.433 2.641 ( -4.324 -0.518 2.233) 4.894 2.809 ( -1.387 -8.596 -4.655) 9.873 2.907 ( 1.935 -1.820 -0.260) 2.670 3.107 ( 3.934 0.585 -3.593) 5.360 3.229 ( -1.965 0.962 0.799) 2.330 3.261 ( 1.885 -2.942 0.298) 3.507 3.316 ( 2.910 -5.173 0.803) 5.989 3.454 ( -9.773 7.746 -4.275) 13.183 3.681 ( -5.387 0.633 -5.881) 8.000 3.817 ( -0.953 0.983 -0.484) 1.452 3.925 ( -0.724 3.457 2.657) 4.420 4.143 ( 0.820 6.022 1.159) 6.187 4.212 ( -5.390 -0.889 -5.525) 7.770 4.243 ( 1.978 0.178 -1.157) 2.299 4.358 ( -8.496 -0.952 -6.133) 10.521 4.644 ( -5.943 4.836 0.493) 7.678 4.829 ( -7.253 3.306 1.447) 8.101 4.916 ( -6.833 1.582 -2.399) 7.413 4.945 ( -5.761 -0.023 0.165) 5.764 5.054 ( -2.241 1.323 0.271) 2.616 5.126 ( 2.398 1.223 -0.051) 2.693 5.140 ( -5.809 -1.629 -2.614) 6.575 5.361 ( 1.631 1.326 4.983) 5.408 5.426 ( 1.763 -2.189 -2.445) 3.725 5.505 ( -0.540 -2.128 5.125) 5.576 5.518 ( 0.276 3.568 -2.763) 4.521 5.717 ( 5.494 -3.559 2.419) 6.979 5.738 ( -2.847 -2.836 2.880) 4.943 5.755 ( 1.557 -3.453 0.621) 3.838 5.859 ( 2.924 4.577 1.747) 5.705 5.937 ( 0.299 -2.615 -0.499) 2.679 5.979 ( 2.699 0.093 0.300) 2.717 6.034 ( 0.240 -0.555 1.582) 1.694 6.141 ( 4.162 -4.018 0.935) 5.861 6.199 ( -0.128 -4.828 -1.577) 5.080 6.361 ( 13.337 3.352 2.873) 14.049 6.501 ( 7.904 -1.520 -1.438) 8.176 6.734 ( 1.355 0.492 3.687) 3.959 6.764 ( -2.308 0.317 1.861) 2.982 7.548 ( 8.061 3.221 -2.325) 8.986 7.692 ( 13.935 -3.803 -1.135) 14.489 12.081 ( -3.473 0.685 0.441) 3.568 12.126 ( -3.311 -1.273 -0.803) 3.637 12.451 ( 2.134 2.530 1.315) 3.562 12.581 ( 3.294 -3.203 0.200) 4.599 13.253 ( -7.107 2.713 -0.314) 7.614 13.376 ( -6.547 -2.423 0.133) 6.982 13.723 ( 4.263 2.880 -1.530) 5.367 13.830 ( 6.657 -2.061 0.761) 7.010 16.858 ( -1.832 0.197 1.417) 2.325 16.882 ( -2.272 -0.739 1.840) 3.016 16.999 ( -0.650 2.031 -1.461) 2.585 17.076 ( -0.031 -0.832 -2.708) 2.833 17.181 ( -0.463 -0.912 -2.673) 2.862 17.191 ( 2.530 -0.462 0.516) 2.623 17.738 ( -0.492 1.306 0.433) 1.461 17.786 ( 0.193 -0.900 0.209) 0.943 18.580 ( 0.356 1.875 0.579) 1.994 18.626 ( 1.630 0.179 0.075) 1.642 18.851 ( -0.491 0.362 -0.197) 0.641 18.879 ( 0.902 -0.620 0.518) 1.211 28.236 ( -0.504 1.359 -0.140) 1.456 28.300 ( -2.669 -1.371 0.883) 3.128 28.349 ( -2.278 1.338 -0.134) 2.645 28.421 ( 0.649 -1.494 0.438) 1.687 29.838 ( 0.229 2.214 2.369) 3.251 29.977 ( -0.686 -4.270 3.413) 5.509 30.371 ( 1.208 5.807 -0.455) 5.949 30.652 ( 2.509 -6.495 -4.205) 8.134 32.078 ( -1.377 0.108 0.109) 1.385 32.140 ( -0.216 -1.610 -0.789) 1.806 32.846 ( 1.065 3.313 2.696) 4.403 32.984 ( 0.759 -3.237 -1.408) 3.611 33.689 ( 0.386 10.323 8.923) 13.650 34.109 ( -0.182 -7.344 12.031) 14.097 34.824 ( -2.891 21.341 -8.363) 23.102 35.829 ( -4.418 -25.925 -18.848) 32.356 ======================= Grid point 85 (43/104) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -10.247 14.914 -5.944) 19.047 1.359 ( -12.302 11.839 4.215) 17.586 1.678 ( -5.636 1.833 -2.858) 6.579 1.930 ( -4.388 10.509 3.809) 12.009 2.323 ( -1.528 -3.356 0.438) 3.713 2.386 ( -4.545 2.221 -3.932) 6.407 2.465 ( -7.696 -5.128 2.079) 9.479 2.663 ( 0.258 -2.780 3.550) 4.516 2.717 ( -8.981 7.632 -4.996) 12.801 2.927 ( 0.483 0.308 1.188) 1.319 3.066 ( -1.486 1.837 -3.958) 4.610 3.203 ( -2.770 -4.565 -1.355) 5.509 3.288 ( 2.025 -2.081 0.778) 3.006 3.331 ( 3.798 -1.170 -2.489) 4.689 3.476 ( 5.795 -1.071 4.879) 7.651 3.549 ( -1.829 -1.167 -2.684) 3.451 3.818 ( -1.075 4.081 2.236) 4.776 3.901 ( -3.369 3.324 0.748) 4.791 4.028 ( -7.180 1.929 -5.302) 9.131 4.162 ( -0.350 6.433 0.273) 6.448 4.180 ( -2.751 -4.941 -1.961) 5.985 4.357 ( 3.799 1.148 4.837) 6.257 4.542 ( -6.539 1.169 4.121) 7.817 4.728 ( -5.218 0.828 4.470) 6.920 4.758 ( -6.279 -0.632 -2.931) 6.958 4.858 ( -4.490 1.024 1.765) 4.932 4.953 ( -5.209 -8.070 1.373) 9.703 5.062 ( -2.637 -6.406 1.636) 7.118 5.174 ( 2.031 6.928 -3.348) 7.959 5.368 ( -3.037 4.715 -3.483) 6.602 5.402 ( -0.889 -0.451 -0.516) 1.122 5.468 ( -2.412 -1.566 1.101) 3.079 5.619 ( 2.367 -0.749 4.878) 5.473 5.693 ( -1.883 -0.992 1.733) 2.745 5.763 ( 2.473 1.811 -1.059) 3.243 5.809 ( 0.642 -5.986 2.654) 6.580 5.911 ( 4.150 -1.394 -4.222) 6.082 5.964 ( 1.769 -4.498 -1.667) 5.113 6.023 ( 2.030 1.934 -0.697) 2.889 6.114 ( 6.275 -0.405 2.233) 6.673 6.226 ( 4.417 -2.023 -0.139) 4.860 6.243 ( 4.637 -3.563 0.457) 5.866 6.580 ( 4.759 1.686 2.369) 5.577 6.639 ( 2.507 -1.782 1.284) 3.333 6.764 ( 4.595 2.434 0.406) 5.215 6.804 ( 6.460 0.384 0.275) 6.478 7.647 ( 5.405 7.020 -4.399) 9.891 7.915 ( 11.832 -5.104 -6.920) 14.626 12.014 ( -3.753 0.678 0.456) 3.841 12.054 ( -3.453 -0.992 -0.500) 3.627 12.506 ( 2.270 2.572 1.226) 3.643 12.643 ( 3.044 -3.385 -0.085) 4.553 13.118 ( -6.794 2.876 0.181) 7.379 13.238 ( -7.444 -2.325 -0.139) 7.800 13.806 ( 5.387 3.804 -1.134) 6.691 13.958 ( 5.875 -3.275 0.527) 6.747 16.809 ( -2.608 0.315 -0.065) 2.628 16.847 ( -3.584 -1.726 2.393) 4.642 17.001 ( 0.904 1.801 -0.472) 2.070 17.061 ( 0.972 -0.791 -2.856) 3.119 17.169 ( 1.185 0.749 -1.309) 1.918 17.228 ( 0.511 -1.457 0.931) 1.803 17.734 ( -0.166 1.498 0.040) 1.508 17.786 ( -0.263 -0.790 0.073) 0.836 18.604 ( 1.696 2.693 0.729) 3.265 18.661 ( 1.553 0.056 0.690) 1.700 18.829 ( -0.874 1.239 -1.593) 2.200 18.905 ( 0.940 -1.701 0.887) 2.136 28.213 ( -2.045 0.537 1.019) 2.347 28.258 ( -2.701 -1.384 1.108) 3.230 28.325 ( -0.048 2.944 0.363) 2.966 28.438 ( 0.490 -2.129 0.949) 2.382 29.872 ( 0.973 1.688 2.617) 3.263 30.000 ( -0.800 -4.721 5.305) 7.146 30.393 ( 1.017 5.350 0.470) 5.466 30.674 ( 3.699 -6.928 -4.851) 9.231 32.055 ( -1.230 0.985 0.230) 1.593 32.119 ( -1.692 -1.090 -0.201) 2.022 32.889 ( 1.122 3.547 1.789) 4.128 33.040 ( 4.833 -4.408 3.020) 7.205 33.748 ( -0.896 11.432 5.671) 12.792 34.159 ( -3.110 -5.307 7.009) 9.325 34.684 ( -4.561 16.189 -6.535) 18.044 35.492 ( -12.756 -23.342 -23.219) 35.309 ======================= Grid point 86 (44/104) ======================= q-point: (-0.12 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -1.806 18.449 4.660) 19.114 1.248 ( -6.263 19.231 10.612) 22.840 1.534 ( -5.055 -4.366 -2.570) 7.157 1.882 ( -3.701 9.798 2.455) 10.758 2.183 ( -6.979 15.802 -5.271) 18.061 2.285 ( -4.728 -6.866 1.828) 8.534 2.367 ( -4.019 -3.404 0.136) 5.268 2.583 ( -0.597 10.865 -4.850) 11.913 2.689 ( -1.589 1.120 8.737) 8.951 2.906 ( -4.347 6.396 -1.453) 7.869 3.018 ( 1.876 -7.410 -4.453) 8.846 3.196 ( -0.222 -8.398 0.482) 8.415 3.282 ( -1.917 -5.916 0.309) 6.227 3.351 ( 1.433 -4.375 -5.306) 7.025 3.540 ( 5.310 0.862 -2.307) 5.853 3.653 ( 1.250 -1.138 2.862) 3.324 3.781 ( -2.699 4.415 2.727) 5.849 3.829 ( -3.249 1.383 3.114) 4.708 3.995 ( 4.023 4.228 3.639) 6.877 4.135 ( 0.017 -3.541 -1.484) 3.839 4.178 ( 0.282 6.453 2.900) 7.080 4.402 ( -4.926 4.248 3.579) 7.425 4.521 ( -0.159 -3.602 7.287) 8.130 4.645 ( -4.212 -0.506 0.351) 4.257 4.723 ( -1.359 0.489 8.129) 8.257 4.804 ( -6.091 0.763 7.206) 9.466 4.920 ( 0.368 -10.246 1.312) 10.336 5.048 ( -0.892 -13.108 1.939) 13.281 5.163 ( 1.518 7.276 -5.030) 8.975 5.278 ( -3.440 5.120 -0.212) 6.171 5.394 ( 2.433 -2.342 -2.775) 4.371 5.452 ( -2.167 -1.998 3.838) 4.839 5.588 ( -3.678 -3.468 -1.803) 5.367 5.697 ( -2.072 -2.148 0.465) 3.021 5.733 ( -3.272 1.105 -0.569) 3.501 5.883 ( 3.721 0.731 1.292) 4.007 5.957 ( 3.897 -2.582 -3.628) 5.917 6.015 ( 5.108 -2.040 -0.218) 5.504 6.056 ( 2.560 2.061 -0.889) 3.404 6.223 ( 3.308 -2.731 0.496) 4.319 6.279 ( -0.155 -1.651 0.782) 1.833 6.343 ( 5.545 -3.730 0.292) 6.689 6.581 ( -3.704 0.356 0.091) 3.723 6.638 ( 0.785 -1.244 -0.561) 1.574 6.918 ( 8.234 2.681 -0.393) 8.668 6.945 ( 6.195 1.406 -0.193) 6.355 7.670 ( 2.930 10.049 -8.500) 13.484 7.979 ( 4.704 -3.386 -15.164) 16.234 11.960 ( -2.218 0.878 0.376) 2.415 11.999 ( -2.034 -0.754 -0.225) 2.181 12.547 ( 0.957 2.464 1.146) 2.881 12.685 ( 1.631 -3.439 -0.618) 3.856 13.019 ( -3.984 2.441 0.758) 4.734 13.121 ( -4.522 -2.052 -0.081) 4.967 13.891 ( 4.239 3.649 -0.814) 5.653 14.043 ( 2.933 -3.434 -0.387) 4.532 16.777 ( -0.942 -0.093 0.051) 0.948 16.799 ( -3.311 -1.540 1.882) 4.108 17.002 ( 0.409 1.865 -2.200) 2.913 17.067 ( 1.726 -1.031 -2.196) 2.977 17.203 ( 1.924 0.303 1.552) 2.491 17.227 ( -1.247 -0.769 1.212) 1.901 17.733 ( 0.201 1.355 -0.303) 1.402 17.781 ( -0.153 -0.636 -0.263) 0.705 18.644 ( 1.480 1.667 0.369) 2.259 18.690 ( 0.434 -0.406 1.145) 1.291 18.800 ( 0.158 3.252 -2.648) 4.197 18.920 ( -0.049 -2.064 0.359) 2.095 28.190 ( -1.291 0.186 1.166) 1.750 28.221 ( -1.948 -1.127 0.632) 2.338 28.353 ( 1.014 2.058 4.004) 4.614 28.454 ( 0.029 -2.093 1.614) 2.643 29.910 ( 0.620 1.323 2.645) 3.021 30.027 ( -2.580 -5.696 7.843) 10.031 30.409 ( -0.267 4.629 1.131) 4.773 30.706 ( 3.854 -8.074 -3.984) 9.793 32.042 ( -0.464 0.484 0.959) 1.170 32.078 ( -2.425 -0.951 0.600) 2.673 32.913 ( -0.239 6.030 -0.241) 6.039 33.158 ( 2.622 -5.225 2.076) 6.204 33.766 ( 1.072 8.763 0.946) 8.879 34.102 ( -5.137 -5.402 -1.070) 7.531 34.613 ( 4.195 12.462 -3.571) 13.626 35.035 ( -15.012 -8.889 -16.934) 24.313 ======================= Grid point 87 (45/104) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 2.152 -11.616 7.641) 14.070 1.378 ( 2.152 11.616 7.641) 14.070 1.674 ( -0.814 -16.527 6.019) 17.608 1.674 ( -0.814 16.527 6.019) 17.608 2.225 ( 2.709 -5.450 -0.996) 6.167 2.225 ( 2.709 5.450 -0.996) 6.167 2.588 ( 1.822 -11.446 -4.934) 12.597 2.588 ( 1.822 11.446 -4.934) 12.597 2.836 ( -4.373 -5.396 3.535) 7.793 2.836 ( -4.373 5.396 3.535) 7.793 2.919 ( -0.973 -6.923 -9.769) 12.013 2.919 ( -0.973 6.923 -9.769) 12.013 3.234 ( 2.751 -8.573 2.589) 9.368 3.234 ( 2.751 8.573 2.589) 9.368 3.583 ( -2.237 -2.018 -3.459) 4.587 3.583 ( -2.237 2.018 -3.459) 4.587 3.844 ( 2.018 -1.444 4.118) 4.808 3.844 ( 2.018 1.444 4.118) 4.808 4.194 ( 4.173 -2.667 4.961) 7.010 4.194 ( 4.173 2.667 4.961) 7.010 4.358 ( -2.445 -4.664 6.711) 8.530 4.358 ( -2.445 4.664 6.711) 8.530 4.557 ( -1.805 -11.394 2.855) 11.884 4.557 ( -1.805 11.394 2.855) 11.884 4.756 ( 0.574 -3.742 1.096) 3.941 4.756 ( 0.574 3.742 1.096) 3.941 4.854 ( -3.138 -6.088 9.981) 12.105 4.854 ( -3.138 6.088 9.981) 12.105 5.290 ( 0.732 -4.823 -3.041) 5.749 5.290 ( 0.732 4.823 -3.041) 5.749 5.427 ( 3.933 -6.145 0.842) 7.344 5.427 ( 3.933 6.145 0.842) 7.344 5.529 ( -2.123 -5.100 2.576) 6.095 5.529 ( -2.123 5.100 2.576) 6.095 5.830 ( -0.174 -5.683 0.054) 5.686 5.830 ( -0.174 5.683 0.054) 5.686 6.063 ( 4.032 -4.376 -2.358) 6.401 6.063 ( 4.032 4.376 -2.358) 6.401 6.148 ( -1.519 -5.050 0.953) 5.359 6.148 ( -1.519 5.050 0.953) 5.359 6.272 ( -2.628 -4.208 0.622) 5.000 6.272 ( -2.628 4.208 0.622) 5.000 6.585 ( -0.157 -3.320 -2.105) 3.934 6.585 ( -0.157 3.320 -2.105) 3.934 7.014 ( -0.370 -1.290 -1.406) 1.944 7.014 ( -0.370 1.290 -1.406) 1.944 7.794 ( 1.113 -6.655 -16.034) 17.396 7.794 ( 1.113 6.655 -16.034) 17.396 11.963 ( 0.145 -0.972 0.137) 0.993 11.963 ( 0.145 0.972 0.137) 0.993 12.621 ( -0.256 -3.422 -0.149) 3.435 12.621 ( -0.256 3.422 -0.149) 3.435 13.035 ( 0.041 -2.378 0.558) 2.443 13.035 ( 0.041 2.378 0.558) 2.443 13.996 ( 0.083 -3.046 -0.711) 3.129 13.996 ( 0.083 3.046 -0.711) 3.129 16.761 ( -0.686 -0.341 0.734) 1.061 16.761 ( -0.686 0.341 0.734) 1.061 17.037 ( 0.814 -2.329 -2.558) 3.554 17.037 ( 0.814 2.329 -2.558) 3.554 17.226 ( -0.132 -0.558 1.914) 1.998 17.226 ( -0.132 0.558 1.914) 1.998 17.757 ( 0.016 -0.995 -0.660) 1.194 17.757 ( 0.016 0.995 -0.660) 1.194 18.672 ( -0.643 -0.986 0.104) 1.181 18.672 ( -0.643 0.986 0.104) 1.181 18.866 ( 0.006 -2.261 -0.538) 2.324 18.866 ( 0.006 2.261 -0.538) 2.324 28.188 ( -0.484 -0.405 0.722) 0.959 28.188 ( -0.484 0.405 0.722) 0.959 28.430 ( 0.004 -1.603 3.126) 3.512 28.430 ( 0.004 1.603 3.126) 3.512 29.963 ( -1.666 -1.725 3.955) 4.625 29.963 ( -1.666 1.725 3.955) 4.625 30.552 ( 1.403 -9.202 -1.405) 9.414 30.552 ( 1.403 9.202 -1.405) 9.414 32.055 ( 0.380 -0.905 1.864) 2.106 32.055 ( 0.380 0.905 1.864) 2.106 32.971 ( -5.222 -5.857 -6.074) 9.923 32.971 ( -5.222 5.857 -6.074) 9.923 33.936 ( -0.561 -5.989 0.461) 6.033 33.936 ( -0.561 5.989 0.461) 6.033 34.843 ( 7.749 -4.928 -1.056) 9.244 34.843 ( 7.749 4.928 -1.056) 9.244 ======================= Grid point 89 (46/104) ======================= q-point: ( 0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 5.340 -2.466 9.782) 11.414 1.518 ( 5.340 2.466 9.782) 11.414 1.740 ( 3.543 -8.872 2.290) 9.824 1.740 ( 3.543 8.872 2.290) 9.824 2.257 ( 0.438 -6.856 -2.737) 7.395 2.257 ( 0.438 6.856 -2.737) 7.395 2.609 ( -0.015 -7.279 1.451) 7.422 2.609 ( -0.015 7.279 1.451) 7.422 2.796 ( 3.195 -7.408 -2.905) 8.575 2.796 ( 3.195 7.408 -2.905) 8.575 2.896 ( 4.022 -3.926 -5.265) 7.701 2.896 ( 4.022 3.926 -5.265) 7.701 3.289 ( 1.265 -8.865 0.280) 8.959 3.289 ( 1.265 8.865 0.280) 8.959 3.540 ( 1.195 -3.726 -0.666) 3.969 3.540 ( 1.195 3.726 -0.666) 3.969 3.920 ( 1.804 -1.275 3.129) 3.831 3.920 ( 1.804 1.275 3.129) 3.831 4.250 ( -1.514 -4.522 4.603) 6.628 4.250 ( -1.514 4.522 4.603) 6.628 4.410 ( 0.516 -3.553 8.380) 9.116 4.410 ( 0.516 3.553 8.380) 9.116 4.603 ( 3.103 -5.269 4.666) 7.692 4.603 ( 3.103 5.269 4.666) 7.692 4.782 ( 2.391 -2.921 -0.101) 3.777 4.782 ( 2.391 2.921 -0.101) 3.777 4.909 ( 1.509 -1.394 8.164) 8.418 4.909 ( 1.509 1.394 8.164) 8.418 5.269 ( -0.213 -3.561 -3.101) 4.727 5.269 ( -0.213 3.561 -3.101) 4.727 5.448 ( -1.173 -6.295 0.692) 6.440 5.448 ( -1.173 6.295 0.692) 6.440 5.588 ( 2.918 -2.545 2.512) 4.615 5.588 ( 2.918 2.545 2.512) 4.615 5.826 ( -0.809 -4.898 0.427) 4.982 5.826 ( -0.809 4.898 0.427) 4.982 6.051 ( -3.921 -2.264 -3.298) 5.601 6.051 ( -3.921 2.264 -3.298) 5.601 6.118 ( -1.964 -3.044 4.377) 5.682 6.118 ( -1.964 3.044 4.377) 5.682 6.219 ( -2.682 -0.247 -0.781) 2.804 6.219 ( -2.682 0.247 -0.781) 2.804 6.547 ( -1.853 -0.831 -3.288) 3.865 6.547 ( -1.853 0.831 -3.288) 3.865 6.928 ( -6.651 -3.233 -1.626) 7.572 6.928 ( -6.651 3.233 -1.626) 7.572 7.658 ( -0.540 -5.777 -16.831) 17.803 7.658 ( -0.540 5.777 -16.831) 17.803 11.988 ( 2.260 -1.143 0.199) 2.541 11.988 ( 2.260 1.143 0.199) 2.541 12.599 ( -1.855 -3.067 -0.253) 3.593 12.599 ( -1.855 3.067 -0.253) 3.593 13.081 ( 4.215 -2.350 0.523) 4.854 13.081 ( 4.215 2.350 0.523) 4.854 13.962 ( -2.928 -1.951 -0.589) 3.568 13.962 ( -2.928 1.951 -0.589) 3.568 16.766 ( 0.678 -0.922 0.457) 1.232 16.766 ( 0.678 0.922 0.457) 1.232 17.031 ( 0.841 -2.713 -2.040) 3.497 17.031 ( 0.841 2.713 -2.040) 3.497 17.240 ( -0.158 -0.641 1.936) 2.046 17.240 ( -0.158 0.641 1.936) 2.046 17.750 ( -0.159 -0.884 -0.749) 1.169 17.750 ( -0.159 0.884 -0.749) 1.169 18.656 ( -1.103 -1.790 0.229) 2.115 18.656 ( -1.103 1.790 0.229) 2.115 18.859 ( -0.174 -0.653 -0.547) 0.869 18.859 ( -0.174 0.653 -0.547) 0.869 28.195 ( 0.731 -0.307 0.337) 0.862 28.195 ( 0.731 0.307 0.337) 0.862 28.452 ( -0.657 -0.677 3.282) 3.415 28.452 ( -0.657 0.677 3.282) 3.415 29.955 ( -2.575 -1.463 3.673) 4.718 29.955 ( -2.575 1.463 3.673) 4.718 30.565 ( 0.767 -10.907 -0.970) 10.977 30.565 ( 0.767 10.907 -0.970) 10.977 32.093 ( 1.302 -1.585 1.965) 2.840 32.093 ( 1.302 1.585 1.965) 2.840 32.848 ( -0.998 -3.008 -4.979) 5.902 32.848 ( -0.998 3.008 -4.979) 5.902 33.867 ( -6.264 -7.492 -1.584) 9.893 33.867 ( -6.264 7.492 -1.584) 9.893 35.073 ( 15.233 -16.843 -0.590) 22.718 35.073 ( 15.233 16.843 -0.590) 22.718 ======================= Grid point 91 (47/104) ======================= q-point: ( 0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 4.124 -9.640 6.459) 12.315 1.688 ( 4.124 9.640 6.459) 12.315 1.850 ( 6.888 -14.459 -1.484) 16.084 1.850 ( 6.888 14.459 -1.484) 16.084 2.210 ( -1.379 -14.771 -0.953) 14.866 2.210 ( -1.379 14.771 -0.953) 14.866 2.610 ( -0.048 -7.222 0.886) 7.276 2.610 ( -0.048 7.222 0.886) 7.276 2.846 ( 3.531 -5.583 -2.040) 6.914 2.846 ( 3.531 5.583 -2.040) 6.914 2.951 ( 2.798 -8.189 -2.645) 9.049 2.951 ( 2.798 8.189 -2.645) 9.049 3.322 ( 1.869 -3.978 2.094) 4.868 3.322 ( 1.869 3.978 2.094) 4.868 3.611 ( 5.827 -7.448 -0.343) 9.463 3.611 ( 5.827 7.448 -0.343) 9.463 3.965 ( 1.539 -1.407 1.676) 2.675 3.965 ( 1.539 1.407 1.676) 2.675 4.207 ( -4.888 -5.434 1.089) 7.390 4.207 ( -4.888 5.434 1.089) 7.390 4.514 ( 1.769 -1.530 7.926) 8.264 4.514 ( 1.769 1.530 7.926) 8.264 4.723 ( 7.484 -7.239 1.926) 10.589 4.723 ( 7.484 7.239 1.926) 10.589 4.835 ( 2.311 -4.206 -1.232) 4.955 4.835 ( 2.311 4.206 -1.232) 4.955 5.057 ( 6.907 -6.079 7.028) 11.578 5.057 ( 6.907 6.079 7.028) 11.578 5.236 ( -1.389 -2.542 1.279) 3.167 5.236 ( -1.389 2.542 1.279) 3.167 5.441 ( -1.103 -8.515 1.961) 8.807 5.441 ( -1.103 8.515 1.961) 8.807 5.610 ( -0.467 -3.581 -3.046) 4.725 5.610 ( -0.467 3.581 -3.046) 4.725 5.793 ( -3.681 -2.877 1.154) 4.812 5.793 ( -3.681 2.877 1.154) 4.812 5.921 ( -4.696 -2.280 -2.423) 5.755 5.921 ( -4.696 2.280 -2.423) 5.755 6.099 ( -4.905 -3.086 3.138) 6.590 6.099 ( -4.905 3.086 3.138) 6.590 6.172 ( -2.848 -2.401 0.293) 3.736 6.172 ( -2.848 2.401 0.293) 3.736 6.475 ( -2.254 -5.271 -3.109) 6.521 6.475 ( -2.254 5.271 -3.109) 6.521 6.774 ( -7.273 -4.551 -1.790) 8.765 6.774 ( -7.273 4.551 -1.790) 8.765 7.514 ( -1.315 -3.543 -12.628) 13.182 7.514 ( -1.315 3.543 -12.628) 13.182 12.046 ( 3.596 -1.482 0.237) 3.897 12.046 ( 3.596 1.482 0.237) 3.897 12.551 ( -2.957 -2.676 -0.190) 3.993 12.551 ( -2.957 2.676 -0.190) 3.993 13.190 ( 6.698 -2.010 0.355) 7.002 13.190 ( 6.698 2.010 0.355) 7.002 13.885 ( -4.759 -0.421 -0.335) 4.790 13.885 ( -4.759 0.421 -0.335) 4.790 16.792 ( 1.815 -1.321 0.041) 2.246 16.792 ( 1.815 1.321 0.041) 2.246 17.040 ( 1.489 -2.403 -0.968) 2.989 17.040 ( 1.489 2.403 -0.968) 2.989 17.245 ( -0.979 -0.784 1.157) 1.706 17.245 ( -0.979 0.784 1.157) 1.706 17.744 ( 0.230 -1.037 -0.547) 1.194 17.744 ( 0.230 1.037 -0.547) 1.194 18.635 ( -1.549 -2.300 0.585) 2.834 18.635 ( -1.549 2.300 0.585) 2.834 18.854 ( 0.124 -1.153 -0.490) 1.259 18.854 ( 0.124 1.153 -0.490) 1.259 28.219 ( 1.689 -0.944 -0.068) 1.936 28.219 ( 1.689 0.944 -0.068) 1.936 28.458 ( -1.428 -0.280 2.794) 3.150 28.458 ( -1.428 0.280 2.794) 3.150 29.933 ( -2.794 -2.426 3.220) 4.905 29.933 ( -2.794 2.426 3.220) 4.905 30.556 ( -0.795 -11.000 -1.032) 11.077 30.556 ( -0.795 11.000 -1.032) 11.077 32.115 ( -0.132 -2.568 0.707) 2.666 32.115 ( -0.132 2.568 0.707) 2.666 32.868 ( 4.115 -5.706 0.148) 7.037 32.868 ( 4.115 5.706 0.148) 7.037 33.726 ( -5.484 -8.826 -2.441) 10.673 33.726 ( -5.484 8.826 -2.441) 10.673 35.323 ( 12.399 -23.511 -3.709) 26.837 35.323 ( 12.399 23.511 -3.709) 26.837 ======================= Grid point 93 (48/104) ======================= q-point: ( 0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 1.732 -10.159 1.797) 10.461 1.784 ( 1.732 10.159 1.797) 10.461 1.872 ( 0.494 -8.629 -4.343) 9.673 1.872 ( 0.494 8.629 -4.343) 9.673 2.287 ( 5.725 -13.958 5.870) 16.188 2.287 ( 5.725 13.958 5.870) 16.188 2.619 ( 0.895 -3.905 -1.805) 4.394 2.619 ( 0.895 3.905 -1.805) 4.394 2.841 ( -4.559 -11.878 1.212) 12.780 2.841 ( -4.559 11.878 1.212) 12.780 2.995 ( 6.928 -6.924 -4.384) 10.731 2.995 ( 6.928 6.924 -4.384) 10.731 3.330 ( -4.045 -1.656 1.985) 4.800 3.330 ( -4.045 1.656 1.985) 4.800 3.714 ( 4.943 -3.986 -1.740) 6.584 3.714 ( 4.943 3.986 -1.740) 6.584 4.010 ( 0.848 -4.223 1.606) 4.597 4.010 ( 0.848 4.223 1.606) 4.597 4.136 ( -1.730 -4.427 -0.599) 4.790 4.136 ( -1.730 4.427 -0.599) 4.790 4.568 ( -0.496 -2.309 -0.500) 2.414 4.568 ( -0.496 2.309 -0.500) 2.414 4.806 ( 1.297 -4.449 -1.422) 4.848 4.806 ( 1.297 4.449 -1.422) 4.848 4.930 ( 8.091 -4.668 2.480) 9.665 4.930 ( 8.091 4.668 2.480) 9.665 5.190 ( 1.634 -2.983 3.780) 5.085 5.190 ( 1.634 2.983 3.780) 5.085 5.292 ( 1.925 -5.258 2.532) 6.146 5.292 ( 1.925 5.258 2.532) 6.146 5.393 ( -3.056 -5.836 -0.630) 6.618 5.393 ( -3.056 5.836 -0.630) 6.618 5.567 ( -1.074 -3.252 -1.320) 3.670 5.567 ( -1.074 3.252 -1.320) 3.670 5.712 ( -4.218 -3.172 1.851) 5.593 5.712 ( -4.218 3.172 1.851) 5.593 5.882 ( -0.403 -2.125 0.718) 2.279 5.882 ( -0.403 2.125 0.718) 2.279 6.013 ( -7.063 -3.269 3.483) 8.527 6.013 ( -7.063 3.269 3.483) 8.527 6.125 ( 0.920 -7.071 -1.552) 7.297 6.125 ( 0.920 7.071 -1.552) 7.297 6.386 ( -5.240 -1.546 -3.543) 6.511 6.386 ( -5.240 1.546 -3.543) 6.511 6.688 ( -1.007 -3.689 1.053) 3.966 6.688 ( -1.007 3.689 1.053) 3.966 7.422 ( 0.717 -1.791 -6.464) 6.746 7.422 ( 0.717 1.791 -6.464) 6.746 12.114 ( 3.061 -1.688 0.108) 3.497 12.114 ( 3.061 1.688 0.108) 3.497 12.496 ( -2.607 -2.528 0.100) 3.632 12.496 ( -2.607 2.528 0.100) 3.632 13.318 ( 6.184 -1.583 0.318) 6.391 13.318 ( 6.184 1.583 0.318) 6.391 13.789 ( -4.849 -0.970 -0.448) 4.966 13.789 ( -4.849 0.970 -0.448) 4.966 16.831 ( 2.073 -1.648 0.324) 2.668 16.831 ( 2.073 1.648 0.324) 2.668 17.065 ( 1.635 -1.629 -0.743) 2.425 17.065 ( 1.635 1.629 -0.743) 2.425 17.219 ( -2.099 -1.078 -0.230) 2.371 17.219 ( -2.099 1.078 -0.230) 2.371 17.750 ( 0.596 -0.908 -0.013) 1.086 17.750 ( 0.596 0.908 -0.013) 1.086 18.611 ( -1.419 -1.900 0.663) 2.463 18.611 ( -1.419 1.900 0.663) 2.463 18.855 ( 0.342 -1.397 -0.321) 1.474 18.855 ( 0.342 1.397 -0.321) 1.474 28.252 ( 1.841 -1.753 -0.333) 2.564 28.252 ( 1.841 1.753 -0.333) 2.564 28.443 ( -2.213 -0.193 1.856) 2.894 28.443 ( -2.213 0.193 1.856) 2.894 29.907 ( -2.445 -3.230 2.721) 4.881 29.907 ( -2.445 3.230 2.721) 4.881 30.526 ( -1.035 -9.401 -1.454) 9.569 30.526 ( -1.035 9.401 -1.454) 9.569 32.110 ( -0.447 -1.825 0.115) 1.882 32.110 ( -0.447 1.825 0.115) 1.882 32.935 ( 1.365 -5.443 0.706) 5.656 32.935 ( 1.365 5.443 0.706) 5.656 33.677 ( 0.792 -8.864 2.875) 9.352 33.677 ( 0.792 8.864 2.875) 9.352 35.454 ( 6.685 -26.086 -7.504) 27.955 35.454 ( 6.685 26.086 -7.504) 27.955 ======================= Grid point 95 (49/104) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -4.753 -9.020 -4.744) 11.246 1.717 ( -4.753 9.020 -4.744) 11.246 1.951 ( 5.693 -9.304 3.464) 11.445 1.951 ( 5.693 9.304 3.464) 11.445 2.388 ( -2.041 -11.136 4.806) 12.300 2.388 ( -2.041 11.136 4.806) 12.300 2.590 ( -2.244 -11.697 -2.926) 12.265 2.590 ( -2.244 11.697 -2.926) 12.265 2.779 ( -0.682 -7.921 0.474) 7.964 2.779 ( -0.682 7.921 0.474) 7.964 3.097 ( 6.953 -5.496 -4.274) 9.840 3.097 ( 6.953 5.496 -4.274) 9.840 3.253 ( -3.555 -1.471 1.292) 4.059 3.253 ( -3.555 1.471 1.292) 4.059 3.734 ( -0.739 -4.378 -3.111) 5.421 3.734 ( -0.739 4.378 -3.111) 5.421 3.971 ( -4.865 -4.713 -0.810) 6.821 3.971 ( -4.865 4.713 -0.810) 6.821 4.155 ( 2.445 -0.335 1.192) 2.741 4.155 ( 2.445 0.335 1.192) 2.741 4.467 ( -5.934 -3.935 -6.433) 9.596 4.467 ( -5.934 3.935 -6.433) 9.596 4.848 ( 1.036 -5.284 -0.077) 5.385 4.848 ( 1.036 5.284 -0.077) 5.385 5.052 ( 0.803 -1.648 2.831) 3.373 5.052 ( 0.803 1.648 2.831) 3.373 5.167 ( -3.257 -2.869 -1.544) 4.607 5.167 ( -3.257 2.869 -1.544) 4.607 5.242 ( -2.001 -5.479 -3.811) 6.968 5.242 ( -2.001 5.479 -3.811) 6.968 5.433 ( -2.251 -1.954 4.508) 5.404 5.433 ( -2.251 1.954 4.508) 5.404 5.522 ( 3.211 -2.500 2.077) 4.569 5.522 ( 3.211 2.500 2.077) 4.569 5.722 ( -0.250 -4.476 0.543) 4.515 5.722 ( -0.250 4.476 0.543) 4.515 5.898 ( 1.208 -3.202 2.335) 4.143 5.898 ( 1.208 3.202 2.335) 4.143 5.948 ( -1.442 -3.102 3.933) 5.212 5.948 ( -1.442 3.102 3.933) 5.212 6.138 ( -2.094 -3.446 0.113) 4.034 6.138 ( -2.094 3.446 0.113) 4.034 6.304 ( 4.185 -6.562 -5.327) 9.431 6.304 ( 4.185 6.562 -5.327) 9.431 6.716 ( 0.704 -3.328 4.032) 5.275 6.716 ( 0.704 3.328 4.032) 5.275 7.455 ( 6.744 -2.769 -1.951) 7.547 7.455 ( 6.744 2.769 -1.951) 7.547 12.142 ( -0.390 -1.429 -0.191) 1.494 12.142 ( -0.390 1.429 -0.191) 1.494 12.474 ( 0.344 -2.865 0.518) 2.932 12.474 ( 0.344 2.865 0.518) 2.932 13.389 ( -0.177 -2.298 0.509) 2.361 13.389 ( -0.177 2.298 0.509) 2.361 13.728 ( 0.031 -1.365 -0.880) 1.624 13.728 ( 0.031 1.365 -0.880) 1.624 16.867 ( 0.717 -1.421 1.335) 2.077 16.867 ( 0.717 1.421 1.335) 2.077 17.072 ( -0.244 -1.571 -1.510) 2.193 17.072 ( -0.244 1.571 -1.510) 2.193 17.181 ( -0.651 -1.594 -1.216) 2.108 17.181 ( -0.651 1.594 -1.216) 2.108 17.760 ( 0.268 -0.799 0.329) 0.905 17.760 ( 0.268 0.799 0.329) 0.905 18.600 ( -0.196 -1.106 0.657) 1.302 18.600 ( -0.196 1.106 0.657) 1.302 18.859 ( 0.275 -0.925 -0.152) 0.977 18.859 ( 0.275 0.925 -0.152) 0.977 28.275 ( 0.646 -2.198 -0.087) 2.292 28.275 ( 0.646 2.198 -0.087) 2.292 28.411 ( -2.190 -0.643 0.633) 2.369 28.411 ( -2.190 0.643 0.633) 2.369 29.892 ( -1.386 -3.560 2.339) 4.480 29.892 ( -1.386 3.560 2.339) 4.480 30.504 ( 0.302 -7.816 -1.791) 8.024 30.504 ( 0.302 7.816 -1.791) 8.024 32.105 ( -0.169 -1.261 0.050) 1.273 32.105 ( -0.169 1.261 0.050) 1.273 32.929 ( -0.895 -4.693 -1.153) 4.915 32.929 ( -0.895 4.693 -1.153) 4.915 33.780 ( 3.033 -9.993 10.169) 14.576 33.780 ( 3.033 9.993 10.169) 14.576 35.447 ( 0.885 -26.542 -11.268) 28.848 35.447 ( 0.885 26.542 -11.268) 28.848 ======================= Grid point 97 (50/104) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -7.826 -7.422 -5.497) 12.105 1.557 ( -7.826 7.422 -5.497) 12.105 2.033 ( -3.209 -13.662 1.888) 14.160 2.033 ( -3.209 13.662 1.888) 14.160 2.322 ( -3.601 -15.818 2.069) 16.354 2.322 ( -3.601 15.818 2.069) 16.354 2.533 ( -1.128 -6.077 0.037) 6.181 2.533 ( -1.128 6.077 0.037) 6.181 2.815 ( 2.671 -5.302 0.544) 5.962 2.815 ( 2.671 5.302 0.544) 5.962 3.167 ( 2.793 -4.758 -3.671) 6.627 3.167 ( 2.793 4.758 -3.671) 6.627 3.256 ( 2.698 -1.735 3.125) 4.478 3.256 ( 2.698 1.735 3.125) 4.478 3.621 ( -7.754 -6.405 -5.631) 11.526 3.621 ( -7.754 6.405 -5.631) 11.526 3.897 ( -1.170 -5.190 1.056) 5.424 3.897 ( -1.170 5.190 1.056) 5.424 4.210 ( 0.349 -0.739 1.539) 1.743 4.210 ( 0.349 0.739 1.539) 1.743 4.281 ( -6.162 -4.037 -6.428) 9.777 4.281 ( -6.162 4.037 -6.428) 9.777 4.782 ( -5.161 -6.547 -3.242) 8.945 4.782 ( -5.161 6.547 -3.242) 8.945 4.968 ( -10.441 -4.078 2.248) 11.432 4.968 ( -10.441 4.078 2.248) 11.432 5.051 ( -7.279 -4.466 -1.602) 8.689 5.051 ( -7.279 4.466 -1.602) 8.689 5.268 ( 5.960 -8.335 -0.485) 10.258 5.268 ( 5.960 8.335 -0.485) 10.258 5.446 ( -0.384 -3.258 5.483) 6.389 5.446 ( -0.384 3.258 5.483) 6.389 5.627 ( 1.459 -5.935 -0.738) 6.156 5.627 ( 1.459 5.935 -0.738) 6.156 5.708 ( 1.350 -2.240 2.151) 3.386 5.708 ( 1.350 2.240 2.151) 3.386 5.912 ( -0.072 -0.388 -1.926) 1.966 5.912 ( -0.072 0.388 -1.926) 1.966 6.003 ( 2.865 -2.442 2.372) 4.449 6.003 ( 2.865 2.442 2.372) 4.449 6.119 ( 2.276 -2.264 -0.200) 3.216 6.119 ( 2.276 2.264 -0.200) 3.216 6.442 ( 10.914 -3.934 0.146) 11.603 6.442 ( 10.914 3.934 0.146) 11.603 6.753 ( -0.119 -1.089 2.860) 3.063 6.753 ( -0.119 1.089 2.860) 3.063 7.617 ( 10.962 -3.502 -1.338) 11.585 7.617 ( 10.962 3.502 -1.338) 11.585 12.101 ( -3.327 -1.145 -0.234) 3.526 12.101 ( -3.327 1.145 -0.234) 3.526 12.512 ( 2.780 -3.324 0.598) 4.375 12.512 ( 2.780 3.324 0.598) 4.375 13.316 ( -6.797 -3.211 0.267) 7.522 13.316 ( -6.797 3.211 0.267) 7.522 13.781 ( 5.407 -2.692 -0.670) 6.077 13.781 ( 5.407 2.692 -0.670) 6.077 16.866 ( -2.307 -0.633 1.645) 2.904 16.866 ( -2.307 0.633 1.645) 2.904 17.044 ( -0.331 -2.114 -1.924) 2.878 17.044 ( -0.331 2.114 -1.924) 2.878 17.179 ( 1.080 -0.518 -1.051) 1.594 17.179 ( 1.080 0.518 -1.051) 1.594 17.765 ( -0.080 -1.197 0.358) 1.252 17.765 ( -0.080 1.197 0.358) 1.252 18.616 ( 1.132 -1.273 0.794) 1.879 18.616 ( 1.132 1.273 0.794) 1.879 18.862 ( 0.129 -0.781 -0.159) 0.808 18.862 ( 0.129 0.781 -0.159) 0.808 28.267 ( -1.774 -1.622 0.667) 2.494 28.267 ( -1.774 1.622 0.667) 2.494 28.385 ( -0.525 -1.920 -0.182) 1.999 28.385 ( -0.525 1.920 -0.182) 1.999 29.897 ( -0.187 -3.467 2.390) 4.216 29.897 ( -0.187 3.467 2.390) 4.216 30.507 ( 1.622 -7.220 -2.023) 7.672 30.507 ( 1.622 7.220 -2.023) 7.672 32.102 ( -0.314 -1.854 -0.069) 1.882 32.102 ( -0.314 1.854 -0.069) 1.882 32.915 ( 0.427 -3.394 0.008) 3.421 32.915 ( 0.427 3.394 0.008) 3.421 33.915 ( 0.627 -10.869 12.211) 16.359 33.915 ( 0.627 10.869 12.211) 16.359 35.303 ( -4.679 -24.884 -14.512) 29.184 35.303 ( -4.679 24.884 -14.512) 29.184 ======================= Grid point 99 (51/104) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -6.812 -9.330 -3.786) 12.157 1.366 ( -6.812 9.330 -3.786) 12.157 1.877 ( -11.073 -14.142 1.231) 18.003 1.877 ( -11.073 14.142 1.231) 18.003 2.295 ( -1.556 -3.501 -2.355) 4.497 2.295 ( -1.556 3.501 -2.355) 4.497 2.579 ( 2.571 -5.159 5.289) 7.823 2.579 ( 2.571 5.159 5.289) 7.823 2.851 ( 0.297 -7.710 -0.207) 7.719 2.851 ( 0.297 7.710 -0.207) 7.719 3.141 ( -0.707 -5.704 -4.351) 7.209 3.141 ( -0.707 5.704 -4.351) 7.209 3.311 ( -5.399 -4.631 -0.231) 7.117 3.311 ( -5.399 4.631 -0.231) 7.117 3.479 ( 2.567 -3.070 0.378) 4.020 3.479 ( 2.567 3.070 0.378) 4.020 3.908 ( -1.997 -3.253 2.489) 4.557 3.908 ( -1.997 3.253 2.489) 4.557 4.072 ( -4.328 -3.657 -5.440) 7.855 4.072 ( -4.328 3.657 -5.440) 7.855 4.294 ( 2.083 -5.813 3.610) 7.153 4.294 ( 2.083 5.813 3.610) 7.153 4.662 ( -5.174 -7.654 -0.505) 9.252 4.662 ( -5.174 7.654 -0.505) 9.252 4.786 ( -8.220 -4.790 1.459) 9.625 4.786 ( -8.220 4.790 1.459) 9.625 4.942 ( -5.711 -5.661 2.666) 8.472 4.942 ( -5.711 5.661 2.666) 8.472 5.324 ( 2.028 -5.888 -4.038) 7.422 5.324 ( 2.028 5.888 -4.038) 7.422 5.454 ( -4.698 -0.535 3.615) 5.952 5.454 ( -4.698 0.535 3.615) 5.952 5.616 ( -0.275 -3.754 1.502) 4.053 5.616 ( -0.275 3.754 1.502) 4.053 5.782 ( 3.652 -1.798 1.040) 4.202 5.782 ( 3.652 1.798 1.040) 4.202 5.895 ( 1.996 -1.624 -4.374) 5.075 5.895 ( 1.996 1.624 -4.374) 5.075 6.075 ( 3.102 -2.891 1.404) 4.467 6.075 ( 3.102 2.891 1.404) 4.467 6.207 ( 5.639 -0.319 0.499) 5.670 6.207 ( 5.639 0.319 0.499) 5.670 6.613 ( 2.841 -1.235 1.960) 3.666 6.613 ( 2.841 1.235 1.960) 3.666 6.800 ( 6.683 -0.992 -0.254) 6.761 6.800 ( 6.683 0.992 -0.254) 6.761 7.791 ( 9.356 -6.796 -4.829) 12.531 7.791 ( 9.356 6.796 -4.829) 12.531 12.033 ( -3.459 -1.061 -0.081) 3.619 12.033 ( -3.459 1.061 -0.081) 3.619 12.570 ( 2.689 -3.542 0.376) 4.463 12.570 ( 2.689 3.542 0.376) 4.463 13.181 ( -7.176 -3.094 0.142) 7.816 13.181 ( -7.176 3.094 0.142) 7.816 13.884 ( 5.572 -3.803 -0.361) 6.756 13.884 ( 5.572 3.803 -0.361) 6.756 16.821 ( -3.204 -0.866 1.106) 3.498 16.821 ( -3.204 0.866 1.106) 3.498 17.036 ( 0.918 -1.534 -1.903) 2.611 17.036 ( 0.918 1.534 -1.903) 2.611 17.195 ( 0.870 -1.614 0.202) 1.844 17.195 ( 0.870 1.614 0.202) 1.844 17.764 ( -0.150 -1.317 0.039) 1.326 17.764 ( -0.150 1.317 0.039) 1.326 18.649 ( 1.382 -1.425 0.942) 2.197 18.649 ( 1.382 1.425 0.942) 2.197 18.863 ( 0.230 -2.064 -0.329) 2.103 18.863 ( 0.230 2.064 -0.329) 2.103 28.231 ( -2.451 -1.178 0.979) 2.890 28.231 ( -2.451 1.178 0.979) 2.890 28.386 ( 0.348 -2.882 0.559) 2.956 28.386 ( 0.348 2.882 0.559) 2.956 29.921 ( 0.274 -3.113 2.956) 4.302 29.921 ( 0.274 3.113 2.956) 4.302 30.524 ( 1.899 -7.247 -2.086) 7.776 30.524 ( 1.899 7.247 -2.086) 7.776 32.087 ( -1.328 -1.837 -0.079) 2.268 32.087 ( -1.328 1.837 -0.079) 2.268 32.960 ( 3.249 -3.549 2.681) 5.508 32.960 ( 3.249 3.549 2.681) 5.508 33.981 ( -2.747 -10.759 7.471) 13.384 33.981 ( -2.747 10.759 7.471) 13.384 35.055 ( -7.821 -19.548 -14.229) 25.412 35.055 ( -7.821 19.548 -14.229) 25.412 ======================= Grid point 101 (52/104) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.297 -11.875 2.988) 12.249 1.299 ( 0.297 11.875 2.988) 12.249 1.713 ( -7.839 -17.949 3.660) 19.925 1.713 ( -7.839 17.949 3.660) 19.925 2.234 ( -1.917 -4.192 -2.252) 5.130 2.234 ( -1.917 4.192 -2.252) 5.130 2.624 ( -0.420 -9.789 -2.249) 10.052 2.624 ( -0.420 9.789 -2.249) 10.052 2.840 ( -1.657 -14.105 4.225) 14.817 2.840 ( -1.657 14.105 4.225) 14.817 3.064 ( -1.939 -7.918 -11.293) 13.928 3.064 ( -1.939 7.918 -11.293) 13.928 3.197 ( -3.414 -3.457 3.535) 6.008 3.197 ( -3.414 3.457 3.535) 6.008 3.592 ( 3.157 -3.798 2.453) 5.515 3.592 ( 3.157 3.798 2.453) 5.515 3.836 ( -3.510 -0.935 -0.256) 3.641 3.836 ( -3.510 0.935 -0.256) 3.641 4.067 ( 4.198 -2.948 1.379) 5.312 4.067 ( 4.198 2.948 1.379) 5.312 4.353 ( -0.875 -8.778 5.727) 10.518 4.353 ( -0.875 8.778 5.727) 10.518 4.589 ( -3.014 -11.383 0.987) 11.817 4.589 ( -3.014 11.383 0.987) 11.817 4.728 ( -1.365 -2.107 5.110) 5.693 4.728 ( -1.365 2.107 5.110) 5.693 4.871 ( -5.508 -5.737 5.553) 9.700 4.871 ( -5.508 5.737 5.553) 9.700 5.301 ( 0.451 -5.369 -4.407) 6.961 5.301 ( 0.451 5.369 -4.407) 6.961 5.396 ( -1.577 -4.722 0.314) 4.988 5.396 ( -1.577 4.722 0.314) 4.988 5.584 ( -4.397 -4.498 1.769) 6.533 5.584 ( -4.397 4.498 1.769) 6.533 5.829 ( 0.208 -5.273 0.872) 5.349 5.829 ( 0.208 5.273 0.872) 5.349 5.964 ( 7.991 -2.600 -3.216) 8.997 5.964 ( 7.991 2.600 -3.216) 8.997 6.134 ( 1.910 -4.803 0.888) 5.245 6.134 ( 1.910 4.803 0.888) 5.245 6.285 ( 1.463 -1.814 0.553) 2.395 6.285 ( 1.463 1.814 0.553) 2.395 6.607 ( -1.270 -1.773 -0.669) 2.281 6.607 ( -1.270 1.773 -0.669) 2.281 6.954 ( 7.333 -0.672 -0.611) 7.389 6.954 ( 7.333 0.672 -0.611) 7.389 7.858 ( 4.631 -7.934 -10.878) 14.238 7.858 ( 4.631 7.934 -10.878) 14.238 11.980 ( -1.994 -1.000 0.060) 2.232 11.980 ( -1.994 1.000 0.060) 2.232 12.611 ( 1.384 -3.575 0.075) 3.835 12.611 ( 1.384 3.575 0.075) 3.835 13.072 ( -4.329 -2.598 0.351) 5.061 13.072 ( -4.329 2.598 0.351) 5.061 13.968 ( 3.426 -3.782 -0.466) 5.124 13.968 ( 3.426 3.782 -0.466) 5.124 16.780 ( -2.005 -0.466 0.888) 2.242 16.780 ( -2.005 0.466 0.888) 2.242 17.039 ( 1.106 -1.660 -2.309) 3.051 17.039 ( 1.106 1.660 -2.309) 3.051 17.212 ( 0.244 -0.620 1.382) 1.534 17.212 ( 0.244 0.620 1.382) 1.534 17.761 ( 0.019 -1.260 -0.415) 1.327 17.761 ( 0.019 1.260 -0.415) 1.327 18.673 ( 0.354 -1.161 0.603) 1.355 18.673 ( 0.354 1.161 0.603) 1.355 18.866 ( 0.406 -3.085 -0.463) 3.146 18.866 ( 0.406 3.085 -0.463) 3.146 28.200 ( -1.629 -0.821 0.978) 2.070 28.200 ( -1.629 0.821 0.978) 2.070 28.404 ( 0.362 -2.643 2.053) 3.366 28.404 ( 0.362 2.643 2.053) 3.366 29.950 ( -0.350 -2.596 3.680) 4.517 29.950 ( -0.350 2.596 3.680) 4.517 30.539 ( 1.469 -7.723 -1.854) 8.077 30.539 ( 1.469 7.723 -1.854) 8.077 32.058 ( -1.626 -0.961 0.680) 2.007 32.058 ( -1.626 0.961 0.680) 2.007 33.040 ( 1.419 -6.177 0.965) 6.411 33.040 ( 1.419 6.177 0.965) 6.411 33.948 ( -2.549 -8.707 0.242) 9.075 33.948 ( -2.549 8.707 0.242) 9.075 34.843 ( -3.696 -10.097 -7.070) 12.868 34.843 ( -3.696 10.097 -7.070) 12.868 ======================= Grid point 119 (53/104) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 19.961 0.000 17.925) 26.828 1.027 ( -6.395 0.000 17.669) 18.791 1.582 ( -6.238 0.000 20.155) 21.099 1.611 ( -1.078 0.000 -0.995) 1.467 1.943 ( 11.349 0.000 5.478) 12.602 2.149 ( 4.079 0.000 5.248) 6.647 2.294 ( -7.671 0.000 -9.772) 12.423 2.676 ( 2.040 0.000 8.936) 9.166 2.881 ( -7.090 0.000 -5.079) 8.721 3.206 ( -0.138 0.000 -7.941) 7.942 3.278 ( -0.904 0.000 -2.239) 2.415 3.289 ( 7.880 0.000 2.923) 8.405 3.391 ( 2.181 0.000 2.199) 3.097 3.427 ( -0.464 0.000 3.598) 3.627 3.454 ( 2.582 0.000 -6.719) 7.198 3.549 ( 2.450 0.000 -3.731) 4.463 3.743 ( 2.472 0.000 5.052) 5.624 3.755 ( -1.134 0.000 2.210) 2.484 4.091 ( -2.772 0.000 -0.706) 2.861 4.172 ( -2.236 0.000 -5.246) 5.703 4.233 ( 0.043 0.000 13.863) 13.863 4.392 ( -1.396 0.000 9.485) 9.587 4.614 ( 4.412 0.000 8.250) 9.356 4.743 ( -4.259 0.000 7.198) 8.364 4.873 ( -4.017 0.000 2.013) 4.493 4.904 ( -0.135 0.000 -4.626) 4.628 5.018 ( 6.354 0.000 -1.854) 6.619 5.033 ( -5.216 0.000 -6.720) 8.507 5.085 ( -11.273 0.000 -9.954) 15.039 5.117 ( 2.831 0.000 -8.197) 8.672 5.451 ( -0.792 0.000 1.153) 1.399 5.555 ( 2.414 0.000 0.515) 2.469 5.588 ( -1.766 0.000 2.527) 3.083 5.679 ( 0.293 0.000 2.103) 2.123 5.849 ( 4.366 0.000 -5.684) 7.167 5.881 ( -0.676 0.000 -1.441) 1.591 5.927 ( -5.439 0.000 -2.338) 5.921 6.025 ( -0.550 0.000 1.214) 1.332 6.134 ( -1.469 0.000 -8.879) 8.999 6.159 ( 1.272 0.000 -3.066) 3.319 6.485 ( -0.894 0.000 2.233) 2.405 6.530 ( -3.343 0.000 1.568) 3.692 6.729 ( -2.965 0.000 -0.433) 2.997 6.795 ( 0.190 0.000 -3.580) 3.585 6.866 ( 2.593 0.000 7.395) 7.836 7.038 ( -8.274 0.000 4.739) 9.535 7.086 ( 6.948 0.000 -3.236) 7.664 7.361 ( 14.684 0.000 -8.513) 16.973 11.931 ( -1.292 0.000 0.854) 1.549 11.973 ( 1.259 0.000 -0.971) 1.590 12.581 ( -1.209 0.000 2.748) 3.002 12.714 ( 0.010 0.000 -2.912) 2.912 12.980 ( -0.063 0.000 2.351) 2.352 13.080 ( -0.135 0.000 -1.957) 1.962 13.864 ( 2.255 0.000 3.950) 4.549 14.053 ( -2.173 0.000 -4.146) 4.681 16.780 ( -3.401 0.000 -0.199) 3.407 16.784 ( 1.329 0.000 -0.305) 1.364 17.008 ( -0.289 0.000 1.829) 1.852 17.083 ( 1.872 0.000 -1.604) 2.465 17.263 ( -0.696 0.000 2.509) 2.603 17.338 ( 1.403 0.000 -0.817) 1.623 17.721 ( -0.019 0.000 0.837) 0.837 17.764 ( -0.268 0.000 -0.998) 1.033 18.547 ( 2.069 0.000 0.838) 2.232 18.590 ( -1.014 0.000 -1.293) 1.643 18.789 ( 2.846 0.000 2.560) 3.828 18.888 ( -2.464 0.000 -2.098) 3.236 28.179 ( 1.394 0.000 0.239) 1.415 28.203 ( -1.815 0.000 -0.794) 1.981 28.545 ( -1.164 0.000 2.359) 2.631 28.637 ( 2.904 0.000 -1.576) 3.304 29.978 ( -0.609 0.000 4.128) 4.173 30.186 ( 0.920 0.000 -4.706) 4.795 30.976 ( -45.513 0.000 0.439) 45.515 30.999 ( 15.468 0.000 -0.460) 15.475 32.071 ( 2.036 0.000 1.019) 2.276 32.087 ( -2.065 0.000 0.424) 2.108 32.844 ( -6.900 0.000 5.995) 9.141 33.151 ( 23.516 0.000 -7.003) 24.537 33.477 ( 2.222 0.000 -0.607) 2.304 33.512 ( 3.027 0.000 -1.801) 3.523 34.404 ( -19.796 0.000 8.046) 21.368 34.704 ( 35.916 0.000 -5.055) 36.270 ======================= Grid point 120 (54/104) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 4.405 0.000 5.982) 7.429 1.362 ( 9.114 0.000 13.210) 16.049 1.586 ( -0.962 0.000 1.181) 1.523 1.707 ( 9.237 0.000 1.902) 9.430 2.047 ( -7.042 0.000 -13.625) 15.337 2.116 ( 3.018 0.000 4.445) 5.373 2.385 ( 8.997 0.000 15.611) 18.018 2.764 ( 0.529 0.000 -6.267) 6.289 2.816 ( 2.546 0.000 13.620) 13.856 3.082 ( 0.358 0.000 -17.698) 17.702 3.263 ( -3.429 0.000 1.408) 3.707 3.341 ( -4.580 0.000 -5.762) 7.361 3.446 ( 7.201 0.000 0.316) 7.208 3.503 ( 7.840 0.000 2.894) 8.357 3.509 ( 4.968 0.000 -1.030) 5.073 3.551 ( 0.951 0.000 -3.246) 3.382 3.804 ( 0.898 0.000 3.159) 3.284 3.830 ( 6.212 0.000 1.473) 6.384 4.022 ( -5.004 0.000 0.060) 5.005 4.091 ( -2.768 0.000 -1.313) 3.064 4.370 ( 3.018 0.000 11.429) 11.820 4.468 ( 0.322 0.000 8.209) 8.215 4.636 ( -8.635 0.000 1.140) 8.710 4.733 ( 0.713 0.000 4.373) 4.431 4.766 ( -5.495 0.000 2.679) 6.113 4.938 ( 7.302 0.000 0.426) 7.314 4.962 ( 1.725 0.000 -0.652) 1.844 4.992 ( 1.142 0.000 -5.930) 6.039 5.062 ( 1.437 0.000 -6.851) 7.000 5.149 ( 6.524 0.000 -1.161) 6.626 5.483 ( 0.924 0.000 5.932) 6.003 5.562 ( -3.271 0.000 3.203) 4.578 5.606 ( 1.882 0.000 -1.145) 2.203 5.729 ( 1.247 0.000 4.714) 4.876 5.790 ( -3.457 0.000 -4.891) 5.989 5.838 ( -1.910 0.000 -4.195) 4.609 5.892 ( 2.150 0.000 1.459) 2.598 5.924 ( -6.612 0.000 -2.974) 7.250 6.078 ( 0.104 0.000 -2.088) 2.091 6.138 ( 0.155 0.000 -4.330) 4.333 6.392 ( -11.089 0.000 2.254) 11.316 6.413 ( -11.507 0.000 1.532) 11.609 6.627 ( -5.699 0.000 -0.342) 5.709 6.674 ( -5.961 0.000 -0.441) 5.977 6.877 ( -10.808 0.000 5.602) 12.173 6.978 ( 1.432 0.000 5.510) 5.693 7.210 ( 8.780 0.000 -8.022) 11.893 7.507 ( 7.179 0.000 -14.031) 15.761 11.944 ( 1.769 0.000 0.666) 1.890 12.019 ( 4.221 0.000 -0.638) 4.269 12.571 ( -2.760 0.000 3.720) 4.632 12.675 ( -1.471 0.000 -2.828) 3.188 13.046 ( 4.917 0.000 2.466) 5.501 13.103 ( 4.245 0.000 -2.200) 4.781 13.917 ( -0.514 0.000 4.483) 4.512 13.947 ( -5.053 0.000 -4.708) 6.906 16.733 ( -1.768 0.000 0.370) 1.807 16.809 ( 1.559 0.000 0.363) 1.600 17.010 ( -0.701 0.000 1.232) 1.417 17.086 ( 0.356 0.000 -2.278) 2.305 17.276 ( -0.623 0.000 1.913) 2.012 17.342 ( 0.540 0.000 -1.137) 1.259 17.729 ( -0.080 0.000 1.138) 1.141 17.758 ( 0.431 0.000 -1.148) 1.226 18.557 ( -1.055 0.000 -1.907) 2.180 18.600 ( 2.731 0.000 1.184) 2.977 18.818 ( -2.843 0.000 -2.528) 3.805 18.858 ( 2.052 0.000 2.192) 3.003 28.172 ( -0.768 0.000 -0.953) 1.224 28.221 ( 2.614 0.000 0.751) 2.720 28.535 ( -1.837 0.000 1.677) 2.488 28.638 ( -0.920 0.000 -1.117) 1.447 29.991 ( -2.301 0.000 4.464) 5.022 30.160 ( 0.796 0.000 -4.945) 5.008 30.381 ( -24.361 0.000 12.190) 27.240 31.260 ( 6.176 0.000 6.677) 9.096 32.083 ( 2.147 0.000 0.041) 2.147 32.135 ( 3.503 0.000 1.212) 3.707 32.677 ( -11.592 0.000 0.714) 11.614 33.105 ( -7.501 0.000 -6.846) 10.155 33.564 ( 7.207 0.000 0.083) 7.207 33.695 ( 12.074 0.000 -7.664) 14.301 34.167 ( -10.055 0.000 4.502) 11.017 35.407 ( 42.067 0.000 -18.755) 46.058 ======================= Grid point 121 (55/104) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 3.003 0.000 -3.780) 4.828 1.488 ( -3.377 0.000 6.452) 7.282 1.652 ( 10.753 0.000 1.848) 10.911 1.887 ( 0.913 0.000 -8.081) 8.132 1.911 ( 15.906 0.000 -11.570) 19.668 2.212 ( 0.567 0.000 13.107) 13.120 2.592 ( -1.149 0.000 14.432) 14.478 2.784 ( 4.221 0.000 -2.563) 4.939 2.963 ( 1.437 0.000 9.063) 9.177 2.975 ( 3.465 0.000 -14.902) 15.300 3.133 ( -3.046 0.000 -9.677) 10.145 3.247 ( -3.927 0.000 -0.192) 3.932 3.505 ( -2.841 0.000 -2.698) 3.918 3.521 ( 2.011 0.000 -4.742) 5.150 3.614 ( 7.014 0.000 -1.985) 7.289 3.714 ( 10.444 0.000 1.891) 10.614 3.840 ( -3.772 0.000 -5.136) 6.372 3.848 ( -0.631 0.000 3.769) 3.821 3.922 ( -5.423 0.000 2.521) 5.980 4.145 ( 5.609 0.000 3.711) 6.725 4.462 ( 0.896 0.000 -1.061) 1.389 4.499 ( 0.351 0.000 -2.341) 2.368 4.617 ( 2.998 0.000 8.707) 9.209 4.724 ( -0.756 0.000 2.057) 2.191 4.747 ( -0.917 0.000 1.816) 2.034 4.911 ( -2.168 0.000 -2.634) 3.412 4.972 ( -2.120 0.000 -5.533) 5.925 5.002 ( -1.506 0.000 -3.619) 3.920 5.144 ( 9.307 0.000 6.431) 11.313 5.356 ( 9.911 0.000 7.748) 12.580 5.527 ( -4.393 0.000 -6.907) 8.186 5.527 ( -2.611 0.000 3.306) 4.213 5.566 ( 0.131 0.000 8.521) 8.522 5.715 ( 0.570 0.000 1.267) 1.389 5.741 ( 1.872 0.000 -7.430) 7.662 5.844 ( 3.040 0.000 -2.628) 4.019 5.889 ( -1.357 0.000 5.132) 5.309 5.937 ( -3.603 0.000 -0.100) 3.604 6.045 ( -3.227 0.000 -1.153) 3.427 6.095 ( -0.365 0.000 -5.496) 5.508 6.145 ( -10.477 0.000 1.961) 10.659 6.240 ( -3.271 0.000 0.929) 3.400 6.485 ( -9.240 0.000 2.628) 9.607 6.566 ( -7.138 0.000 1.563) 7.307 6.776 ( -5.880 0.000 6.244) 8.577 7.012 ( -4.060 0.000 8.349) 9.284 7.278 ( 6.529 0.000 -12.161) 13.803 7.416 ( -2.601 0.000 -10.301) 10.625 11.998 ( 3.210 0.000 0.742) 3.294 12.107 ( 5.246 0.000 -0.529) 5.273 12.540 ( -4.097 0.000 4.117) 5.808 12.619 ( -1.947 0.000 -2.431) 3.114 13.188 ( 6.685 0.000 -2.650) 7.191 13.189 ( 7.702 0.000 2.297) 8.037 13.801 ( -6.138 0.000 -4.271) 7.478 13.913 ( -3.852 0.000 4.075) 5.608 16.723 ( 0.593 0.000 0.052) 0.595 16.855 ( 2.830 0.000 0.978) 2.995 17.005 ( -0.491 0.000 0.427) 0.650 17.070 ( 0.268 0.000 -2.340) 2.356 17.247 ( -3.462 0.000 -0.516) 3.500 17.345 ( 0.381 0.000 -0.908) 0.985 17.736 ( -0.317 0.000 1.406) 1.441 17.755 ( 0.364 0.000 -1.330) 1.379 18.527 ( -0.383 0.000 -1.721) 1.763 18.670 ( 3.209 0.000 1.938) 3.749 18.745 ( -2.585 0.000 -2.674) 3.719 18.896 ( 0.224 0.000 1.875) 1.888 28.159 ( 0.051 0.000 -0.715) 0.717 28.286 ( 3.418 0.000 1.082) 3.585 28.500 ( -2.823 0.000 0.275) 2.836 28.600 ( -2.619 0.000 0.384) 2.647 29.947 ( -6.529 0.000 5.691) 8.661 30.137 ( 1.217 0.000 -5.214) 5.354 30.205 ( -7.133 0.000 10.606) 12.781 31.219 ( -13.753 0.000 1.917) 13.886 32.125 ( 0.742 0.000 -1.594) 1.758 32.206 ( 3.035 0.000 0.321) 3.052 32.611 ( 4.187 0.000 5.394) 6.828 32.928 ( -6.014 0.000 -2.954) 6.701 33.689 ( 4.750 0.000 -2.334) 5.293 33.806 ( 8.169 0.000 -9.331) 12.401 34.150 ( 2.615 0.000 11.578) 11.869 35.874 ( 27.431 0.000 -23.012) 35.805 ======================= Grid point 122 (56/104) ======================= q-point: ( 0.38 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -2.050 0.000 -6.893) 7.191 1.383 ( -9.212 0.000 -1.400) 9.318 1.836 ( 1.264 0.000 -3.591) 3.807 2.084 ( 13.841 0.000 -14.220) 19.844 2.088 ( 23.566 0.000 5.223) 24.138 2.342 ( -1.733 0.000 17.725) 17.809 2.595 ( -9.387 0.000 11.977) 15.218 2.804 ( -2.429 0.000 1.739) 2.987 2.983 ( 5.676 0.000 -2.675) 6.275 2.991 ( -2.883 0.000 2.057) 3.542 3.088 ( 7.976 0.000 -14.289) 16.365 3.206 ( 1.587 0.000 -0.500) 1.664 3.393 ( -4.819 0.000 -3.619) 6.027 3.490 ( -2.239 0.000 -4.269) 4.821 3.631 ( -4.621 0.000 -3.202) 5.622 3.755 ( -5.051 0.000 -0.580) 5.085 3.804 ( -5.939 0.000 2.362) 6.391 3.814 ( 8.537 0.000 -3.944) 9.404 3.947 ( 2.770 0.000 0.604) 2.835 4.192 ( -2.757 0.000 0.385) 2.784 4.420 ( -2.736 0.000 -12.609) 12.902 4.479 ( 4.062 0.000 -4.022) 5.716 4.664 ( -6.494 0.000 -3.458) 7.358 4.766 ( 0.806 0.000 -1.180) 1.429 4.773 ( 2.246 0.000 8.836) 9.117 4.860 ( -2.311 0.000 -1.986) 3.047 4.945 ( 2.428 0.000 2.499) 3.484 4.985 ( 5.196 0.000 4.640) 6.966 5.340 ( 3.092 0.000 3.395) 4.592 5.379 ( -1.809 0.000 -2.782) 3.318 5.520 ( -1.562 0.000 3.744) 4.057 5.577 ( 1.692 0.000 1.188) 2.068 5.620 ( -1.278 0.000 4.770) 4.938 5.654 ( -8.770 0.000 -6.122) 10.695 5.762 ( 3.641 0.000 -3.828) 5.283 5.795 ( 4.993 0.000 2.772) 5.711 5.844 ( -0.993 0.000 -5.415) 5.506 5.923 ( 0.685 0.000 6.523) 6.559 5.959 ( -3.892 0.000 1.565) 4.195 6.026 ( -2.705 0.000 -1.809) 3.254 6.096 ( -1.000 0.000 2.620) 2.805 6.297 ( 4.283 0.000 -1.998) 4.727 6.433 ( -6.377 0.000 0.400) 6.390 6.510 ( 5.032 0.000 9.684) 10.914 6.683 ( -10.290 0.000 6.004) 11.914 6.989 ( -6.216 0.000 10.507) 12.209 7.189 ( -0.071 0.000 -10.879) 10.880 7.406 ( 6.533 0.000 -6.813) 9.440 12.067 ( 3.167 0.000 0.973) 3.313 12.183 ( 3.038 0.000 -1.046) 3.213 12.492 ( -4.554 0.000 4.249) 6.228 12.575 ( -0.406 0.000 -1.838) 1.882 13.293 ( 6.980 0.000 -3.250) 7.700 13.332 ( 4.234 0.000 1.210) 4.404 13.683 ( -1.929 0.000 -2.189) 2.918 13.841 ( -6.892 0.000 3.026) 7.527 16.758 ( 2.922 0.000 0.371) 2.946 16.922 ( 2.902 0.000 0.913) 3.042 16.999 ( -0.414 0.000 -0.076) 0.421 17.072 ( 1.836 0.000 -0.965) 2.074 17.143 ( -5.496 0.000 -3.379) 6.452 17.323 ( -1.869 0.000 -1.879) 2.650 17.741 ( -0.502 0.000 1.625) 1.701 17.758 ( 1.195 0.000 -0.868) 1.477 18.521 ( 1.072 0.000 -1.082) 1.523 18.658 ( -3.627 0.000 -1.450) 3.906 18.764 ( 4.070 0.000 1.255) 4.259 18.899 ( -1.261 0.000 1.280) 1.797 28.163 ( 0.700 0.000 0.247) 0.742 28.361 ( 3.459 0.000 1.330) 3.706 28.433 ( -3.784 0.000 -1.474) 4.060 28.548 ( -3.685 0.000 1.008) 3.820 29.880 ( -5.179 0.000 5.677) 7.685 30.120 ( 1.948 0.000 -5.709) 6.032 30.210 ( -2.237 0.000 9.305) 9.571 30.921 ( -12.957 0.000 -5.777) 14.187 32.114 ( 0.678 0.000 -1.677) 1.809 32.234 ( 0.172 0.000 -1.631) 1.640 32.782 ( 3.209 0.000 10.559) 11.036 32.859 ( -0.279 0.000 1.308) 1.337 33.682 ( -0.985 0.000 -4.684) 4.787 33.857 ( 6.064 0.000 -10.030) 11.721 34.427 ( 9.031 0.000 22.169) 23.937 36.076 ( 16.237 0.000 -24.977) 29.790 ======================= Grid point 123 (57/104) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 4.572 0.000 -2.115) 5.038 1.150 ( -12.260 0.000 -5.062) 13.264 1.758 ( -8.099 0.000 0.711) 8.130 2.176 ( 7.996 0.000 -13.386) 15.592 2.338 ( -16.225 0.000 17.219) 23.659 2.540 ( -3.996 0.000 9.938) 10.712 2.550 ( 20.069 0.000 2.952) 20.285 2.810 ( 2.143 0.000 4.853) 5.305 2.918 ( -5.074 0.000 -3.948) 6.429 3.045 ( -1.495 0.000 0.206) 1.509 3.137 ( 6.964 0.000 -6.393) 9.453 3.260 ( -5.271 0.000 -5.784) 7.825 3.295 ( 7.020 0.000 -5.189) 8.730 3.363 ( -8.806 0.000 1.805) 8.989 3.577 ( 3.507 0.000 1.064) 3.665 3.629 ( -10.241 0.000 3.409) 10.793 3.734 ( -0.720 0.000 -0.887) 1.143 3.901 ( -5.203 0.000 -2.427) 5.742 3.961 ( 7.305 0.000 -2.719) 7.794 4.091 ( -6.107 0.000 -4.872) 7.812 4.268 ( -0.536 0.000 -6.425) 6.447 4.357 ( -9.406 0.000 -8.443) 12.640 4.664 ( 5.028 0.000 2.418) 5.579 4.730 ( -1.536 0.000 -2.321) 2.784 4.826 ( 0.436 0.000 1.499) 1.562 4.889 ( 2.512 0.000 8.346) 8.716 4.993 ( -0.480 0.000 -4.741) 4.766 5.126 ( 2.149 0.000 7.050) 7.371 5.313 ( -5.396 0.000 -4.035) 6.738 5.335 ( -0.606 0.000 1.700) 1.805 5.426 ( -9.006 0.000 -3.499) 9.662 5.501 ( -2.286 0.000 0.118) 2.289 5.597 ( 6.113 0.000 -5.646) 8.322 5.628 ( 0.924 0.000 0.810) 1.228 5.800 ( 2.641 0.000 -0.817) 2.764 5.858 ( -0.141 0.000 2.770) 2.774 5.926 ( -2.317 0.000 3.300) 4.032 5.931 ( 5.316 0.000 3.617) 6.430 6.020 ( 0.724 0.000 1.215) 1.414 6.053 ( 7.149 0.000 3.270) 7.861 6.171 ( 7.357 0.000 1.259) 7.464 6.189 ( -9.994 0.000 -0.131) 9.995 6.423 ( 2.774 0.000 -1.674) 3.240 6.477 ( -8.956 0.000 -1.014) 9.013 6.727 ( 3.684 0.000 12.064) 12.613 6.960 ( -6.483 0.000 11.302) 13.029 7.218 ( 9.931 0.000 -8.278) 12.929 7.483 ( 8.897 0.000 -9.418) 12.956 12.118 ( 0.795 0.000 1.398) 1.608 12.188 ( -1.239 0.000 -1.616) 2.036 12.454 ( -2.735 0.000 4.083) 4.914 12.584 ( 2.772 0.000 -1.538) 3.171 13.310 ( -5.600 0.000 -0.328) 5.610 13.383 ( 5.139 0.000 -3.187) 6.047 13.719 ( -7.729 0.000 1.737) 7.922 13.744 ( 7.714 0.000 0.598) 7.737 16.835 ( 4.336 0.000 1.750) 4.676 16.934 ( -3.094 0.000 -1.102) 3.284 16.988 ( -0.674 0.000 -0.212) 0.707 17.029 ( -1.395 0.000 -3.506) 3.774 17.136 ( 4.387 0.000 1.343) 4.588 17.244 ( -3.989 0.000 -3.445) 5.271 17.739 ( -1.211 0.000 1.333) 1.801 17.783 ( 1.782 0.000 -0.585) 1.875 18.549 ( 2.537 0.000 -0.196) 2.545 18.579 ( -3.232 0.000 -1.626) 3.618 18.847 ( 3.438 0.000 1.510) 3.755 18.872 ( -2.330 0.000 0.313) 2.351 28.192 ( 1.359 0.000 2.245) 2.624 28.340 ( -3.913 0.000 -2.703) 4.756 28.434 ( 2.653 0.000 1.800) 3.206 28.480 ( -4.456 0.000 0.953) 4.557 29.855 ( -2.335 0.000 5.089) 5.599 30.118 ( 3.110 0.000 -6.004) 6.761 30.266 ( -0.348 0.000 10.513) 10.518 30.705 ( -3.880 0.000 -7.982) 8.875 32.127 ( 1.273 0.000 -0.049) 1.274 32.191 ( -2.454 0.000 -2.445) 3.464 32.865 ( -2.060 0.000 7.832) 8.098 32.932 ( 5.342 0.000 3.265) 6.261 33.609 ( -3.454 0.000 -2.035) 4.009 33.860 ( 3.161 0.000 -10.410) 10.879 34.754 ( 2.826 0.000 26.188) 26.340 36.069 ( 7.232 0.000 -29.919) 30.780 ======================= Grid point 124 (58/104) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -12.453 0.000 -2.946) 12.797 1.228 ( 1.035 0.000 5.405) 5.503 1.593 ( -9.025 0.000 3.923) 9.841 2.113 ( -19.469 0.000 15.181) 24.688 2.165 ( 2.038 0.000 -13.340) 13.494 2.492 ( -16.742 0.000 1.312) 16.794 2.689 ( -8.607 0.000 4.461) 9.694 2.825 ( 4.166 0.000 -1.862) 4.563 2.946 ( 4.321 0.000 2.376) 4.931 3.010 ( 5.521 0.000 4.023) 6.832 3.115 ( -10.586 0.000 -7.523) 12.987 3.190 ( 3.187 0.000 -2.350) 3.959 3.275 ( 0.718 0.000 4.841) 4.894 3.338 ( 3.789 0.000 -6.841) 7.820 3.491 ( -3.919 0.000 1.040) 4.055 3.675 ( -6.071 0.000 0.677) 6.108 3.678 ( -1.498 0.000 1.578) 2.176 3.871 ( 2.372 0.000 5.670) 6.146 3.957 ( -2.393 0.000 1.091) 2.630 4.008 ( 2.195 0.000 -1.913) 2.911 4.157 ( -6.489 0.000 -1.789) 6.731 4.319 ( 4.890 0.000 -0.824) 4.959 4.710 ( 1.739 0.000 -3.611) 4.008 4.721 ( -0.231 0.000 2.031) 2.044 4.867 ( -4.551 0.000 -5.683) 7.280 4.882 ( 1.173 0.000 8.332) 8.414 5.032 ( 3.184 0.000 8.522) 9.097 5.192 ( 0.999 0.000 4.987) 5.086 5.198 ( -5.220 0.000 -2.232) 5.677 5.234 ( -3.793 0.000 -3.260) 5.001 5.388 ( 1.072 0.000 -0.999) 1.465 5.464 ( -0.703 0.000 -0.735) 1.017 5.665 ( 2.310 0.000 -0.445) 2.352 5.677 ( 4.781 0.000 -3.482) 5.915 5.827 ( -2.183 0.000 -0.806) 2.327 5.843 ( -0.848 0.000 3.442) 3.545 5.877 ( -4.016 0.000 -2.017) 4.494 5.995 ( -4.115 0.000 -4.084) 5.798 6.023 ( -1.169 0.000 4.130) 4.292 6.078 ( 6.024 0.000 1.371) 6.178 6.227 ( 7.041 0.000 -0.486) 7.057 6.252 ( 0.941 0.000 -3.151) 3.288 6.458 ( 7.913 0.000 1.317) 8.022 6.520 ( 7.225 0.000 3.756) 8.143 6.815 ( -3.186 0.000 5.823) 6.638 6.974 ( -1.291 0.000 11.790) 11.860 7.302 ( 6.160 0.000 -11.712) 13.233 7.570 ( 10.509 0.000 -15.663) 18.862 12.111 ( -3.027 0.000 2.031) 3.645 12.126 ( -3.477 0.000 -1.617) 3.835 12.468 ( 0.744 0.000 3.378) 3.460 12.638 ( 4.043 0.000 -1.833) 4.439 13.185 ( -7.192 0.000 0.821) 7.239 13.393 ( -3.173 0.000 -1.736) 3.616 13.634 ( -0.618 0.000 0.273) 0.676 13.907 ( 8.326 0.000 0.348) 8.333 16.833 ( -4.053 0.000 -2.489) 4.757 16.939 ( 3.705 0.000 2.846) 4.671 16.974 ( -0.346 0.000 1.083) 1.137 17.017 ( 1.028 0.000 -1.780) 2.055 17.136 ( -3.274 0.000 -4.610) 5.655 17.230 ( 3.403 0.000 2.126) 4.013 17.721 ( -1.468 0.000 0.852) 1.697 17.802 ( 0.714 0.000 -0.983) 1.215 18.519 ( -1.762 0.000 -1.188) 2.125 18.606 ( 3.182 0.000 0.618) 3.241 18.818 ( -3.209 0.000 -0.933) 3.342 18.912 ( 2.295 0.000 0.969) 2.491 28.252 ( -3.032 0.000 -2.542) 3.957 28.256 ( 2.477 0.000 5.173) 5.736 28.401 ( -4.560 0.000 0.619) 4.602 28.489 ( 1.438 0.000 2.187) 2.617 29.875 ( -0.115 0.000 4.698) 4.699 30.139 ( 4.238 0.000 -5.470) 6.920 30.401 ( 4.716 0.000 15.465) 16.168 30.630 ( 2.801 0.000 -8.935) 9.364 32.121 ( -2.809 0.000 -1.730) 3.299 32.150 ( 0.396 0.000 1.277) 1.337 32.861 ( -3.041 0.000 4.181) 5.170 33.079 ( 7.491 0.000 1.014) 7.559 33.533 ( -4.202 0.000 1.454) 4.447 33.792 ( -1.417 0.000 -10.558) 10.653 34.931 ( -7.010 0.000 25.127) 26.087 35.820 ( -4.378 0.000 -39.415) 39.658 ======================= Grid point 125 (59/104) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -11.226 0.000 7.112) 13.290 1.172 ( -14.511 0.000 15.734) 21.404 1.574 ( 2.417 0.000 2.006) 3.141 1.870 ( -20.091 0.000 16.030) 25.703 1.949 ( -21.767 0.000 -8.188) 23.257 2.126 ( -3.140 0.000 -3.592) 4.771 2.691 ( -7.950 0.000 -6.602) 10.333 2.786 ( 0.510 0.000 6.911) 6.930 2.821 ( -6.159 0.000 -0.164) 6.161 3.034 ( -0.528 0.000 6.770) 6.791 3.233 ( 8.049 0.000 0.041) 8.049 3.252 ( 5.099 0.000 3.357) 6.105 3.333 ( 3.392 0.000 -8.860) 9.488 3.344 ( 2.069 0.000 0.504) 2.129 3.501 ( 0.525 0.000 2.177) 2.239 3.556 ( -7.614 0.000 -0.952) 7.673 3.624 ( -0.414 0.000 4.059) 4.080 3.906 ( -6.411 0.000 3.587) 7.346 3.986 ( 0.894 0.000 10.134) 10.173 4.110 ( 0.342 0.000 4.905) 4.917 4.111 ( 6.688 0.000 1.849) 6.939 4.370 ( 1.447 0.000 -0.136) 1.454 4.641 ( -4.217 0.000 -4.450) 6.131 4.727 ( -0.670 0.000 2.704) 2.786 4.870 ( 5.002 0.000 -0.731) 5.055 4.963 ( -0.585 0.000 2.319) 2.392 4.993 ( -11.780 0.000 1.206) 11.841 5.175 ( 3.055 0.000 12.495) 12.863 5.225 ( 4.102 0.000 -12.058) 12.737 5.261 ( 2.377 0.000 12.793) 13.012 5.403 ( 2.212 0.000 1.591) 2.725 5.495 ( 5.564 0.000 0.503) 5.587 5.663 ( -5.582 0.000 -2.917) 6.298 5.718 ( -2.853 0.000 0.461) 2.890 5.726 ( 3.062 0.000 -1.267) 3.314 5.781 ( -1.344 0.000 -2.534) 2.868 5.858 ( -0.695 0.000 -3.319) 3.391 5.988 ( 4.486 0.000 -2.991) 5.391 6.054 ( 2.272 0.000 0.041) 2.273 6.125 ( -0.337 0.000 -2.251) 2.276 6.316 ( 7.898 0.000 -1.421) 8.025 6.321 ( 4.338 0.000 -1.750) 4.678 6.626 ( 7.602 0.000 -0.166) 7.603 6.703 ( 8.776 0.000 0.279) 8.780 6.778 ( -4.709 0.000 7.285) 8.675 7.057 ( -0.073 0.000 8.547) 8.548 7.240 ( -0.339 0.000 -15.247) 15.250 7.550 ( 2.178 0.000 -19.931) 20.050 12.047 ( -3.373 0.000 -1.392) 3.649 12.052 ( -4.693 0.000 1.941) 5.078 12.522 ( 2.040 0.000 2.365) 3.124 12.692 ( 3.374 0.000 -2.292) 4.079 13.074 ( -5.908 0.000 2.146) 6.285 13.268 ( -7.206 0.000 -1.228) 7.310 13.684 ( 4.170 0.000 0.774) 4.242 14.036 ( 5.621 0.000 -1.126) 5.732 16.768 ( -0.935 0.000 -1.748) 1.982 16.944 ( -1.221 0.000 -2.161) 2.482 16.993 ( -2.522 0.000 1.102) 2.753 17.026 ( 1.422 0.000 -1.224) 1.877 17.133 ( 5.646 0.000 2.457) 6.157 17.279 ( 0.009 0.000 1.851) 1.851 17.708 ( -0.443 0.000 0.796) 0.911 17.794 ( -0.403 0.000 -1.143) 1.212 18.496 ( 0.019 0.000 -0.456) 0.457 18.666 ( 2.050 0.000 0.891) 2.235 18.739 ( -3.780 0.000 -1.704) 4.146 18.945 ( 0.716 0.000 0.010) 0.716 28.191 ( -1.572 0.000 -1.604) 2.246 28.318 ( -3.596 0.000 0.307) 3.609 28.382 ( 4.556 0.000 6.855) 8.231 28.523 ( 0.258 0.000 2.473) 2.487 29.917 ( 0.372 0.000 4.125) 4.142 30.176 ( 3.907 0.000 -4.557) 6.003 30.650 ( 7.482 0.000 -9.297) 11.934 30.782 ( 21.027 0.000 24.539) 32.316 32.069 ( -1.640 0.000 -0.288) 1.665 32.155 ( -1.431 0.000 1.858) 2.345 32.844 ( -1.557 0.000 3.089) 3.459 33.141 ( -1.122 0.000 -12.044) 12.096 33.484 ( -2.994 0.000 2.994) 4.234 33.646 ( -4.977 0.000 -5.680) 7.552 34.909 ( -15.906 0.000 21.255) 26.548 35.216 ( -22.226 0.000 -44.099) 49.383 ======================= Grid point 126 (60/104) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -4.820 0.000 18.154) 18.783 1.052 ( -13.614 0.000 20.984) 25.013 1.612 ( -17.672 0.000 24.553) 30.251 1.621 ( 0.921 0.000 -0.015) 0.921 1.764 ( 1.207 0.000 0.551) 1.327 2.094 ( 1.357 0.000 -2.147) 2.539 2.493 ( -7.389 0.000 -6.274) 9.694 2.636 ( -3.955 0.000 1.939) 4.404 3.025 ( -5.663 0.000 3.734) 6.783 3.068 ( 11.311 0.000 7.628) 13.643 3.253 ( -2.622 0.000 -2.089) 3.352 3.305 ( 4.825 0.000 -7.915) 9.270 3.365 ( 0.427 0.000 0.095) 0.438 3.398 ( 0.072 0.000 4.665) 4.666 3.461 ( 0.877 0.000 -4.516) 4.600 3.522 ( 2.324 0.000 -1.542) 2.789 3.669 ( -0.100 0.000 6.175) 6.176 3.808 ( -5.942 0.000 2.603) 6.488 4.088 ( 1.870 0.000 7.792) 8.013 4.160 ( -2.252 0.000 7.496) 7.827 4.220 ( 3.054 0.000 -2.131) 3.724 4.370 ( -1.622 0.000 2.370) 2.872 4.548 ( -3.473 0.000 2.529) 4.296 4.743 ( -0.997 0.000 3.999) 4.121 4.874 ( 0.808 0.000 2.942) 3.051 4.918 ( -3.193 0.000 -0.047) 3.194 4.966 ( 1.951 0.000 0.200) 1.961 5.143 ( -6.001 0.000 1.008) 6.085 5.162 ( 1.939 0.000 -13.284) 13.425 5.442 ( -1.253 0.000 -3.397) 3.620 5.485 ( -7.554 0.000 -7.427) 10.594 5.486 ( 4.949 0.000 -0.402) 4.965 5.626 ( -4.533 0.000 -2.588) 5.219 5.700 ( -2.721 0.000 -0.862) 2.855 5.804 ( 4.906 0.000 -4.267) 6.501 5.827 ( 8.836 0.000 4.196) 9.782 5.963 ( 16.406 0.000 8.076) 18.286 6.033 ( -2.896 0.000 -3.892) 4.851 6.051 ( 7.727 0.000 1.614) 7.894 6.134 ( 2.710 0.000 -0.764) 2.816 6.366 ( 4.768 0.000 -0.475) 4.792 6.444 ( 5.463 0.000 -1.091) 5.571 6.718 ( 3.659 0.000 -1.259) 3.870 6.775 ( 1.107 0.000 -7.323) 7.406 6.790 ( -1.730 0.000 9.093) 9.256 7.095 ( -3.182 0.000 6.959) 7.652 7.112 ( -0.004 0.000 -7.746) 7.746 7.354 ( -5.550 0.000 -11.758) 13.002 11.978 ( -4.293 0.000 1.174) 4.451 11.987 ( -1.659 0.000 -1.188) 2.041 12.568 ( 0.782 0.000 1.749) 1.916 12.720 ( 1.820 0.000 -2.692) 3.250 13.001 ( -3.831 0.000 2.225) 4.431 13.141 ( -4.678 0.000 -1.616) 4.949 13.777 ( 3.976 0.000 2.527) 4.711 14.089 ( 1.688 0.000 -2.883) 3.341 16.763 ( 1.227 0.000 -0.939) 1.545 16.862 ( -3.904 0.000 -2.761) 4.782 16.990 ( 0.217 0.000 1.966) 1.978 17.052 ( 2.262 0.000 -1.056) 2.497 17.272 ( -1.865 0.000 1.872) 2.642 17.273 ( 5.292 0.000 2.346) 5.788 17.714 ( 0.110 0.000 0.819) 0.826 17.778 ( -0.266 0.000 -0.876) 0.915 18.510 ( 1.361 0.000 0.302) 1.394 18.634 ( -3.276 0.000 -1.042) 3.438 18.728 ( 1.581 0.000 1.829) 2.418 18.937 ( -1.099 0.000 -1.127) 1.574 28.167 ( -0.032 0.000 -0.560) 0.561 28.253 ( -2.980 0.000 -0.432) 3.011 28.541 ( 6.513 0.000 3.117) 7.220 28.541 ( -0.578 0.000 2.553) 2.617 29.952 ( -0.161 0.000 3.889) 3.892 30.197 ( 2.145 0.000 -4.353) 4.853 30.764 ( 12.394 0.000 -6.826) 14.150 31.498 ( 21.308 0.000 5.399) 21.982 32.065 ( -0.122 0.000 1.281) 1.287 32.128 ( -2.730 0.000 1.361) 3.051 32.723 ( -13.577 0.000 -10.111) 16.929 32.857 ( -1.088 0.000 4.964) 5.082 33.467 ( -1.060 0.000 1.744) 2.041 33.582 ( -2.408 0.000 -0.023) 2.409 34.536 ( -11.742 0.000 -16.631) 20.358 34.707 ( -21.542 0.000 15.253) 26.395 ======================= Grid point 127 (61/104) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 8.960 7.749 16.494) 20.307 1.244 ( -4.080 13.882 11.653) 18.578 1.652 ( 2.178 3.245 3.912) 5.529 1.684 ( -3.506 9.904 11.393) 15.498 2.075 ( 10.346 11.937 2.901) 16.061 2.172 ( 4.762 2.061 4.693) 6.996 2.376 ( -4.259 6.943 -7.106) 10.809 2.530 ( -2.166 -10.988 6.217) 12.810 2.750 ( -4.327 -12.546 0.630) 13.286 3.081 ( 2.222 -12.136 -6.648) 14.015 3.178 ( 0.313 -5.117 -4.159) 6.602 3.220 ( 0.707 -5.745 0.583) 5.817 3.246 ( -0.078 -8.842 -4.485) 9.914 3.402 ( 0.916 0.988 0.923) 1.633 3.514 ( 3.890 1.420 1.444) 4.385 3.622 ( -0.457 0.084 0.445) 0.644 3.772 ( 1.326 6.928 3.812) 8.018 3.894 ( -1.498 5.372 0.530) 5.602 4.138 ( -2.060 1.154 -0.939) 2.541 4.159 ( 2.127 4.463 -0.141) 4.946 4.302 ( 1.009 5.651 13.009) 14.219 4.403 ( -2.094 0.281 8.368) 8.630 4.630 ( 3.047 0.508 5.690) 6.475 4.743 ( 0.720 0.249 6.526) 6.570 4.824 ( -2.521 -3.517 -2.789) 5.148 4.873 ( -4.489 -0.858 -1.149) 4.712 5.075 ( -1.307 4.103 -0.804) 4.380 5.089 ( 1.855 2.120 -3.798) 4.729 5.109 ( -10.906 1.358 -9.716) 14.670 5.128 ( 3.426 1.352 -3.481) 5.068 5.419 ( -2.079 -2.115 2.725) 4.028 5.541 ( -1.255 -0.133 1.259) 1.783 5.576 ( 1.673 -1.440 3.367) 4.027 5.658 ( 0.812 -1.572 1.990) 2.663 5.807 ( 2.494 -3.046 -0.737) 4.005 5.896 ( -1.223 -1.434 -2.502) 3.132 5.905 ( 0.318 1.059 -2.967) 3.167 6.039 ( -0.732 0.949 1.518) 1.934 6.104 ( -0.175 -1.755 -4.473) 4.809 6.208 ( 0.782 3.511 -4.441) 5.715 6.453 ( -1.198 -3.123 2.229) 4.020 6.478 ( -4.049 -4.173 1.870) 6.108 6.653 ( 6.836 -6.182 1.284) 9.306 6.713 ( -3.151 -6.238 1.145) 7.081 6.889 ( -2.773 1.966 2.028) 3.958 7.019 ( -0.574 0.001 2.579) 2.642 7.208 ( -0.546 6.931 -9.402) 11.693 7.385 ( 10.712 1.831 -13.941) 17.676 11.937 ( -0.887 0.531 0.799) 1.307 11.975 ( 0.961 0.096 -0.852) 1.288 12.579 ( -0.959 -0.028 2.593) 2.765 12.699 ( -0.016 -1.413 -2.660) 3.012 12.990 ( -0.119 0.963 2.166) 2.374 13.082 ( 0.081 -0.011 -1.756) 1.758 13.889 ( 1.975 2.135 2.662) 3.942 14.043 ( -1.908 -0.980 -3.566) 4.162 16.776 ( -1.304 -0.121 0.274) 1.338 16.792 ( -0.674 0.297 -0.303) 0.797 16.977 ( -0.040 -2.029 1.789) 2.706 17.067 ( 1.695 -1.584 -2.088) 3.121 17.261 ( -0.465 -0.166 2.177) 2.232 17.312 ( 0.987 -1.825 0.199) 2.084 17.724 ( 0.116 0.238 0.584) 0.641 17.763 ( -0.287 -0.204 -0.993) 1.054 18.594 ( -1.765 3.004 -0.162) 3.488 18.620 ( 1.630 2.908 -1.303) 3.579 18.794 ( 2.925 0.602 2.319) 3.781 18.888 ( -2.431 -0.073 -1.999) 3.148 28.183 ( 1.129 0.377 0.114) 1.196 28.201 ( -1.627 -0.199 -0.605) 1.747 28.535 ( -0.957 -0.925 2.275) 2.636 28.592 ( 2.010 -3.655 0.687) 4.227 29.986 ( -0.697 0.780 4.152) 4.282 30.186 ( 0.616 -0.308 -4.138) 4.195 30.686 ( -26.499 -18.876 10.588) 34.214 30.906 ( 12.444 -8.523 -2.163) 15.237 32.062 ( 0.476 0.144 1.602) 1.677 32.113 ( -1.713 1.099 0.358) 2.066 32.773 ( 3.590 -2.718 2.750) 5.276 33.045 ( -4.864 -6.528 -7.803) 11.276 33.634 ( -6.717 10.718 1.278) 12.713 33.797 ( 14.028 15.228 -7.638) 22.069 34.501 ( -18.372 9.051 5.098) 21.105 34.746 ( 34.361 3.868 -4.981) 34.935 ======================= Grid point 128 (62/104) ======================= q-point: ( 0.12 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 3.758 9.086 6.043) 11.541 1.373 ( 11.091 1.327 10.266) 15.171 1.693 ( -2.311 9.235 2.469) 9.835 1.749 ( 4.999 5.720 0.718) 7.631 2.102 ( -6.152 3.203 -3.670) 7.847 2.167 ( -0.510 5.261 -4.818) 7.152 2.518 ( 10.242 11.387 11.199) 18.973 2.635 ( 8.219 -9.701 1.871) 12.851 2.731 ( 0.008 -8.593 6.459) 10.750 2.988 ( 1.301 -8.858 -15.462) 17.867 3.163 ( 0.063 -13.781 -7.168) 15.534 3.213 ( -1.986 -3.768 4.846) 6.452 3.312 ( 7.252 -7.492 -1.336) 10.513 3.428 ( 1.953 -1.828 0.449) 2.713 3.589 ( 0.269 -1.898 1.268) 2.298 3.643 ( 5.717 6.276 0.349) 8.497 3.808 ( 0.270 -1.320 -0.998) 1.677 3.896 ( 0.164 6.805 2.734) 7.336 4.056 ( -4.650 3.409 -0.545) 5.792 4.207 ( 2.155 8.132 0.254) 8.416 4.397 ( 0.852 2.903 7.336) 7.935 4.472 ( -0.400 0.807 6.866) 6.925 4.649 ( -5.014 0.897 3.502) 6.181 4.740 ( -3.736 2.625 -0.773) 4.631 4.834 ( 1.577 0.987 6.282) 6.551 4.850 ( 3.240 -3.444 1.545) 4.975 4.954 ( 1.631 -0.245 -2.713) 3.175 5.027 ( 1.811 3.488 -6.676) 7.746 5.153 ( 2.557 4.735 -0.706) 5.427 5.183 ( 5.605 2.793 -1.223) 6.381 5.432 ( -0.581 -3.274 6.980) 7.731 5.522 ( -2.398 -1.589 1.628) 3.305 5.612 ( 2.381 -0.175 0.596) 2.461 5.737 ( -0.151 0.017 1.232) 1.242 5.780 ( -3.430 -2.081 -7.145) 8.195 5.849 ( 1.008 1.393 0.289) 1.744 5.874 ( -0.683 0.239 5.949) 5.993 5.998 ( -4.820 4.221 -2.328) 6.817 6.047 ( 0.143 -1.298 -4.608) 4.789 6.172 ( -0.249 2.596 -4.258) 4.993 6.347 ( -10.970 -3.524 2.365) 11.763 6.384 ( -10.020 -2.775 1.612) 10.522 6.577 ( -5.268 -4.889 -1.428) 7.328 6.706 ( -6.834 2.982 -0.192) 7.458 6.871 ( 0.042 -6.163 7.188) 9.469 6.923 ( -7.638 0.474 0.844) 7.699 7.220 ( 7.074 0.904 -8.053) 10.757 7.467 ( 6.603 -3.474 -14.072) 15.928 11.952 ( 1.780 0.692 0.569) 1.993 12.016 ( 3.856 -0.322 -0.562) 3.910 12.571 ( -2.534 0.017 3.236) 4.110 12.662 ( -1.514 -1.218 -2.541) 3.199 13.050 ( 4.512 0.484 2.243) 5.062 13.109 ( 4.368 0.362 -2.009) 4.821 13.926 ( -1.018 0.779 3.259) 3.502 13.948 ( -4.583 0.074 -3.743) 5.918 16.741 ( -1.512 0.769 0.498) 1.767 16.807 ( 1.317 -0.200 0.373) 1.384 16.990 ( 0.120 -1.436 1.296) 1.938 17.071 ( 0.879 -1.497 -2.547) 3.083 17.271 ( -0.655 -0.386 1.493) 1.675 17.322 ( 0.479 -1.612 -0.392) 1.726 17.728 ( -0.351 -0.107 0.671) 0.765 17.755 ( 0.405 -0.232 -0.849) 0.969 18.567 ( -1.256 1.617 -0.160) 2.054 18.646 ( 2.020 2.998 -0.088) 3.616 18.817 ( -2.757 0.062 -2.140) 3.490 18.861 ( 1.825 0.198 1.666) 2.479 28.175 ( -0.573 0.293 -0.739) 0.979 28.219 ( 2.311 -0.213 0.640) 2.407 28.527 ( -1.639 -0.664 1.552) 2.353 28.603 ( -0.837 -2.974 0.218) 3.097 29.995 ( -2.511 0.440 4.405) 5.089 30.150 ( -1.402 -1.349 -2.589) 3.238 30.349 ( -15.905 -1.495 9.822) 18.753 31.099 ( 5.314 -13.769 2.023) 14.897 32.072 ( 0.174 -0.089 0.633) 0.663 32.149 ( 3.974 0.642 1.592) 4.329 32.695 ( -7.897 1.381 -1.397) 8.138 33.048 ( 3.813 -7.106 -1.323) 8.172 33.483 ( -5.104 5.165 -0.837) 7.309 33.968 ( 7.563 7.483 -5.059) 11.781 34.264 ( -7.765 13.915 1.204) 15.980 35.369 ( 36.503 -3.921 -15.733) 39.942 ======================= Grid point 129 (63/104) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 2.652 7.224 -2.395) 8.060 1.629 ( -4.577 11.913 5.245) 13.798 1.685 ( 11.652 -1.678 2.385) 12.012 1.795 ( 6.424 2.579 -5.960) 9.135 2.053 ( 9.345 7.848 -9.854) 15.685 2.191 ( -1.011 -1.794 9.517) 9.737 2.635 ( -4.661 1.245 8.651) 9.905 2.751 ( 5.548 -1.564 -1.502) 5.956 2.859 ( 2.658 -7.708 6.169) 10.224 2.950 ( 8.354 -3.787 -14.034) 16.766 3.057 ( -3.556 -9.209 -6.526) 11.834 3.221 ( -1.388 -0.005 2.875) 3.193 3.402 ( 1.626 -6.221 -2.522) 6.907 3.466 ( 2.524 -3.021 -2.155) 4.488 3.641 ( 0.927 -2.789 5.726) 6.436 3.741 ( -1.306 3.314 -3.079) 4.708 3.795 ( 4.343 0.831 -5.387) 6.970 3.873 ( 1.423 0.468 1.384) 2.039 4.031 ( -1.177 6.600 4.403) 8.021 4.234 ( -0.612 5.886 0.025) 5.918 4.448 ( 1.526 0.455 -1.572) 2.237 4.488 ( 2.585 0.274 -2.824) 3.838 4.648 ( 1.023 1.818 5.738) 6.105 4.701 ( 0.332 0.576 -0.109) 0.673 4.857 ( -0.610 2.464 3.558) 4.370 4.886 ( -1.077 1.610 -3.264) 3.796 4.967 ( -0.734 2.833 -0.198) 2.934 5.079 ( 0.729 3.059 -2.679) 4.131 5.180 ( 5.878 3.528 3.851) 7.863 5.372 ( 8.763 0.716 7.783) 11.743 5.471 ( -3.038 0.023 0.356) 3.059 5.509 ( 0.403 -3.730 7.267) 8.178 5.608 ( -2.995 1.159 -3.853) 5.016 5.685 ( 1.653 -0.920 -3.387) 3.879 5.715 ( 1.461 -0.756 1.077) 1.967 5.842 ( -5.732 -3.503 -2.545) 7.184 5.893 ( -0.264 -0.162 0.637) 0.708 5.970 ( -2.697 0.962 2.666) 3.913 6.013 ( -3.142 0.722 -4.542) 5.570 6.121 ( -3.069 1.187 -3.716) 4.963 6.124 ( -5.253 0.113 3.749) 6.455 6.244 ( -3.010 -0.295 -0.683) 3.101 6.443 ( -7.966 -3.945 2.521) 9.240 6.577 ( -7.772 1.321 3.279) 8.538 6.786 ( -7.397 -0.073 2.038) 7.673 6.943 ( -0.850 -5.924 7.143) 9.319 7.270 ( 4.427 -0.726 -9.743) 10.726 7.395 ( -0.989 -1.857 -8.969) 9.213 12.005 ( 3.228 0.635 0.604) 3.345 12.097 ( 4.935 -0.881 -0.500) 5.038 12.539 ( -3.904 -0.077 3.564) 5.286 12.607 ( -2.065 -1.111 -2.153) 3.184 13.177 ( 6.833 -0.182 0.529) 6.856 13.205 ( 7.307 0.591 -0.790) 7.374 13.810 ( -6.031 0.935 -3.612) 7.092 13.913 ( -3.902 -0.096 3.328) 5.129 16.736 ( 0.697 1.187 0.190) 1.389 16.849 ( 2.590 -0.581 1.001) 2.837 17.002 ( 0.248 -0.239 0.567) 0.663 17.062 ( 0.729 -0.737 -2.567) 2.768 17.246 ( -3.026 -0.110 -0.526) 3.074 17.321 ( -0.175 -2.017 -0.616) 2.116 17.726 ( 0.023 -0.475 0.451) 0.655 17.760 ( 0.417 0.158 -0.301) 0.538 18.543 ( -0.804 1.703 -0.620) 1.982 18.692 ( 1.423 1.240 1.548) 2.441 18.751 ( -1.446 1.043 -2.539) 3.102 18.894 ( 0.262 -0.255 1.540) 1.583 28.167 ( 0.233 0.773 -0.545) 0.975 28.277 ( 3.152 -0.806 1.011) 3.407 28.496 ( -2.570 -0.342 0.168) 2.599 28.576 ( -2.343 -2.098 0.788) 3.242 29.953 ( -5.921 0.632 5.340) 7.999 30.106 ( -1.458 -2.244 -0.315) 2.695 30.246 ( -3.695 3.509 5.094) 7.205 31.063 ( -9.001 -13.181 -1.177) 16.004 32.094 ( 1.208 -1.413 -0.097) 1.862 32.209 ( 1.120 -0.931 -0.560) 1.560 32.662 ( 3.605 4.640 4.026) 7.122 33.009 ( -4.702 5.081 0.065) 6.923 33.502 ( 4.731 -5.632 -0.793) 7.398 34.016 ( 3.007 0.777 0.579) 3.159 34.257 ( 4.528 17.746 0.161) 18.315 35.782 ( 24.335 -8.727 -20.293) 32.866 ======================= Grid point 130 (64/104) ======================= q-point: ( 0.38 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -0.503 9.096 -6.158) 10.996 1.487 ( -8.184 8.161 -3.373) 12.040 1.878 ( 0.582 5.522 0.850) 5.618 2.040 ( 19.636 -1.163 2.040) 19.776 2.175 ( 11.425 5.068 -10.003) 16.009 2.292 ( 1.957 -5.377 13.218) 14.404 2.594 ( -6.302 -0.215 8.939) 10.939 2.743 ( -5.889 -2.486 2.529) 6.874 2.920 ( -3.361 -5.856 2.765) 7.296 3.027 ( 9.701 -1.427 -8.115) 12.728 3.034 ( 10.548 -6.110 -9.694) 15.575 3.169 ( -5.338 1.085 1.917) 5.775 3.372 ( -0.979 -3.966 -1.703) 4.426 3.472 ( 0.062 1.543 -5.202) 5.426 3.531 ( -8.505 -9.771 -2.970) 13.291 3.737 ( 1.417 1.901 0.835) 2.514 3.830 ( 0.107 4.792 -3.519) 5.946 3.920 ( -1.251 5.327 4.909) 7.351 4.059 ( 2.381 5.993 -2.564) 6.940 4.173 ( -4.421 -1.438 -0.564) 4.683 4.407 ( -1.600 -0.077 -10.605) 10.726 4.510 ( 1.885 2.428 -5.394) 6.209 4.690 ( -0.562 2.123 -1.304) 2.554 4.769 ( 2.057 -0.316 7.068) 7.367 4.837 ( 0.097 6.045 -1.288) 6.182 4.900 ( -0.830 1.579 0.340) 1.816 4.965 ( 3.064 3.556 1.108) 4.823 5.014 ( 0.695 3.200 1.021) 3.430 5.347 ( 2.671 -0.087 3.812) 4.655 5.386 ( -2.579 1.952 -2.892) 4.339 5.525 ( -0.049 -1.364 4.044) 4.268 5.547 ( -1.900 -2.461 2.095) 3.749 5.598 ( -4.480 -1.709 -1.861) 5.144 5.643 ( -1.780 -2.043 -0.581) 2.771 5.708 ( 2.997 -1.645 -2.335) 4.140 5.803 ( 6.142 0.911 2.899) 6.853 5.868 ( -3.705 0.721 0.285) 3.785 5.931 ( 2.618 -0.703 0.627) 2.782 5.944 ( -3.673 -0.409 3.067) 4.803 6.032 ( -3.058 0.424 -2.488) 3.965 6.082 ( -3.100 -0.686 3.415) 4.663 6.259 ( 2.649 -2.352 -2.420) 4.291 6.393 ( -4.053 -3.709 0.559) 5.522 6.564 ( 3.632 3.092 11.380) 12.339 6.633 ( -10.389 -4.033 0.328) 11.149 6.959 ( -4.183 -2.838 7.876) 9.359 7.201 ( 0.818 1.279 -7.746) 7.894 7.394 ( 5.332 -1.076 -5.405) 7.668 12.073 ( 3.138 0.526 0.785) 3.277 12.171 ( 3.012 -1.128 -0.942) 3.351 12.490 ( -4.291 -0.123 3.681) 5.655 12.562 ( -0.668 -1.229 -1.609) 2.133 13.292 ( 6.160 0.095 -1.820) 6.424 13.343 ( 5.646 0.615 0.373) 5.692 13.690 ( -2.890 0.894 -1.973) 3.612 13.838 ( -6.517 -0.420 2.335) 6.935 16.772 ( 2.843 1.359 0.568) 3.202 16.912 ( 2.610 -0.919 1.254) 3.038 17.005 ( 0.002 0.583 -0.559) 0.808 17.070 ( 2.221 -0.339 -1.153) 2.525 17.148 ( -5.272 0.646 -3.099) 6.149 17.297 ( -1.944 -2.261 -1.275) 3.243 17.740 ( 0.618 -0.016 0.904) 1.096 17.763 ( 0.305 0.318 -0.226) 0.495 18.535 ( 0.605 1.456 -0.502) 1.655 18.657 ( -3.477 -0.074 -0.937) 3.602 18.782 ( 3.415 1.473 0.769) 3.798 18.898 ( -0.990 -0.259 0.976) 1.415 28.175 ( 0.831 1.143 0.297) 1.445 28.348 ( 3.238 -1.352 1.366) 3.765 28.433 ( -3.511 0.137 -1.550) 3.841 28.530 ( -3.416 -1.569 0.958) 3.879 29.893 ( -4.889 1.156 5.277) 7.285 30.088 ( 0.188 -2.552 -1.734) 3.091 30.250 ( -0.944 3.350 5.003) 6.095 30.837 ( -9.441 -7.400 -5.926) 13.379 32.104 ( 0.772 -0.739 -0.941) 1.424 32.206 ( -0.443 -2.385 -1.304) 2.754 32.764 ( 1.735 1.400 4.556) 5.072 32.977 ( -0.920 6.263 4.091) 7.537 33.561 ( 2.850 -3.301 -0.582) 4.399 34.089 ( 3.442 10.415 -3.811) 11.613 34.428 ( 8.192 4.218 13.505) 16.349 35.955 ( 14.045 -11.372 -23.187) 29.397 ======================= Grid point 131 (65/104) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -5.097 8.599 -2.232) 10.242 1.306 ( -0.267 12.965 -5.458) 14.069 1.805 ( -9.152 5.428 2.642) 10.964 2.216 ( 4.930 2.766 -9.225) 10.819 2.292 ( -6.361 -3.581 12.017) 14.060 2.506 ( 7.224 -6.720 8.235) 12.852 2.575 ( 0.537 3.715 4.679) 5.998 2.686 ( 1.957 -4.752 -0.568) 5.171 2.875 ( -0.391 -6.045 -0.063) 6.058 3.020 ( -1.540 -5.269 -6.825) 8.759 3.140 ( -0.226 1.449 -0.648) 1.603 3.216 ( 9.589 -4.965 -4.080) 11.543 3.291 ( -5.126 -1.059 -4.815) 7.112 3.343 ( -4.770 -1.485 -2.358) 5.525 3.494 ( 0.342 -2.562 3.562) 4.401 3.681 ( -6.198 2.446 -1.307) 6.790 3.820 ( 0.334 6.548 2.312) 6.952 3.903 ( -4.352 2.393 1.651) 5.234 4.039 ( -0.848 2.852 -1.539) 3.350 4.121 ( 1.534 3.481 -5.227) 6.464 4.256 ( -3.367 -0.196 -6.148) 7.012 4.374 ( -8.093 1.721 -8.353) 11.757 4.733 ( 2.122 4.333 4.946) 6.909 4.805 ( -2.079 6.039 -1.748) 6.622 4.851 ( 2.054 2.973 0.002) 3.613 4.909 ( 3.814 2.299 3.390) 5.597 4.990 ( -2.021 0.164 -2.479) 3.203 5.104 ( 1.204 -1.289 5.663) 5.931 5.299 ( -6.196 -1.140 -5.224) 8.184 5.354 ( 2.315 0.192 -0.912) 2.496 5.430 ( -9.344 1.531 -0.046) 9.468 5.515 ( -3.527 0.452 0.550) 3.598 5.559 ( 7.630 -2.675 -4.104) 9.067 5.614 ( 0.124 -0.851 1.816) 2.009 5.817 ( 3.586 0.898 1.477) 3.981 5.862 ( 1.045 -1.189 4.488) 4.759 5.871 ( -2.853 -1.432 0.414) 3.219 5.946 ( 2.255 0.216 2.595) 3.445 6.026 ( 2.893 -0.691 1.233) 3.220 6.042 ( 2.815 -0.623 1.567) 3.281 6.146 ( 8.332 -1.773 1.775) 8.702 6.168 ( -7.506 -1.616 0.629) 7.704 6.369 ( -1.180 -5.208 -1.055) 5.443 6.449 ( -4.247 -2.958 -1.651) 5.433 6.745 ( 3.350 1.579 10.343) 10.986 6.928 ( -5.934 -2.421 7.778) 10.079 7.253 ( 9.459 2.887 -5.797) 11.463 7.465 ( 8.466 -1.557 -8.322) 11.974 12.120 ( 0.573 0.161 1.166) 1.309 12.178 ( -1.117 -0.866 -1.378) 1.975 12.454 ( -2.335 0.048 3.489) 4.199 12.567 ( 2.528 -1.568 -1.352) 3.267 13.322 ( -4.328 1.158 0.134) 4.482 13.399 ( 3.896 1.305 -2.871) 5.013 13.703 ( -2.665 -1.114 1.598) 3.301 13.747 ( 2.696 -0.007 0.066) 2.697 16.847 ( 3.890 1.120 1.920) 4.480 16.936 ( -1.868 0.025 0.076) 1.869 16.984 ( -1.473 0.017 -1.297) 1.962 17.039 ( -1.421 0.652 -3.460) 3.797 17.137 ( 4.383 0.076 1.133) 4.527 17.224 ( -3.892 -1.714 -2.738) 5.058 17.745 ( -1.065 0.516 1.077) 1.600 17.780 ( 1.519 -0.229 -0.459) 1.604 18.557 ( 1.464 0.880 0.168) 1.716 18.590 ( -2.086 0.932 -1.281) 2.620 18.850 ( 2.636 0.189 1.260) 2.927 18.876 ( -1.601 0.177 0.071) 1.613 28.205 ( 1.340 1.236 2.099) 2.780 28.345 ( -3.703 0.346 -2.509) 4.487 28.416 ( 2.140 -1.539 1.812) 3.199 28.467 ( -3.777 -1.134 0.622) 3.993 29.866 ( -2.377 1.086 4.816) 5.480 30.086 ( 1.864 -2.751 -2.766) 4.324 30.289 ( 0.059 2.212 6.783) 7.135 30.667 ( -2.659 -3.562 -7.394) 8.628 32.117 ( 0.732 -0.929 0.124) 1.189 32.168 ( -1.932 -1.764 -1.825) 3.190 32.836 ( 1.799 -0.563 5.323) 5.647 32.983 ( -0.305 1.441 0.252) 1.495 33.616 ( 0.539 4.636 5.245) 7.021 34.063 ( 0.688 14.505 -10.118) 17.699 34.707 ( 3.281 -3.490 22.394) 22.901 35.924 ( 5.275 -13.481 -28.148) 31.652 ======================= Grid point 132 (66/104) ======================= q-point: (-0.38 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -12.381 10.733 -2.267) 16.542 1.386 ( 2.119 12.318 3.135) 12.887 1.636 ( -9.933 4.948 5.504) 12.387 2.116 ( -16.522 -0.364 11.787) 20.299 2.219 ( 1.476 4.931 -11.129) 12.262 2.529 ( -13.319 -0.823 -4.695) 14.146 2.566 ( -0.946 -4.471 7.800) 9.041 2.793 ( 2.563 -4.137 -0.167) 4.870 2.905 ( -3.784 -7.710 -4.735) 9.808 2.986 ( 8.144 -2.616 3.254) 9.152 3.038 ( -5.206 -0.896 0.059) 5.283 3.213 ( -2.170 -1.512 -3.884) 4.699 3.243 ( -0.906 -0.036 0.977) 1.333 3.339 ( 4.427 0.212 -4.344) 6.206 3.453 ( -1.457 -2.610 2.721) 4.042 3.625 ( -3.274 -0.845 1.463) 3.684 3.814 ( -5.393 5.544 1.633) 7.905 3.879 ( 0.798 3.262 4.485) 5.603 3.999 ( -0.276 3.279 -0.851) 3.398 4.120 ( 2.296 5.707 0.422) 6.166 4.176 ( -6.283 4.217 -2.660) 8.021 4.294 ( 5.140 -2.079 0.858) 5.611 4.703 ( -4.351 3.114 0.578) 5.381 4.822 ( -1.012 -0.340 2.653) 2.860 4.862 ( -4.612 -1.496 -1.002) 4.951 4.886 ( 3.143 6.618 -1.167) 7.419 5.027 ( -1.470 -0.659 8.169) 8.326 5.141 ( 0.838 -0.922 1.590) 2.020 5.172 ( -1.200 -3.600 -3.395) 5.092 5.304 ( -2.804 2.615 -2.934) 4.828 5.407 ( -1.712 3.236 3.092) 4.792 5.449 ( 0.038 -0.791 -0.425) 0.899 5.649 ( 2.499 -0.329 1.073) 2.739 5.704 ( 7.108 0.937 -2.905) 7.735 5.781 ( -3.886 -2.858 -1.601) 5.082 5.863 ( -1.831 1.038 3.173) 3.808 5.897 ( -2.393 0.955 -1.943) 3.227 5.961 ( -1.710 -2.971 0.054) 3.428 5.997 ( -1.635 -2.447 0.871) 3.069 6.067 ( 4.634 -0.866 0.421) 4.733 6.197 ( 3.818 -3.119 -2.634) 5.590 6.241 ( 2.471 -0.913 -0.477) 2.677 6.426 ( 10.127 -1.909 2.043) 10.506 6.533 ( 8.902 -0.542 2.138) 9.171 6.816 ( -3.583 0.097 5.456) 6.528 6.887 ( -3.872 -5.404 6.685) 9.428 7.358 ( 6.361 3.888 -8.399) 11.230 7.571 ( 11.939 -0.207 -13.923) 18.343 12.103 ( -3.453 -0.531 1.340) 3.742 12.123 ( -3.128 -0.345 -0.918) 3.278 12.469 ( 0.936 0.236 2.844) 3.003 12.619 ( 3.967 -1.732 -1.639) 4.629 13.206 ( -7.214 1.938 0.870) 7.520 13.391 ( -4.217 -0.353 -1.370) 4.448 13.652 ( 0.895 1.691 -0.098) 1.916 13.888 ( 8.015 -1.770 0.265) 8.212 16.844 ( -4.050 0.945 -1.919) 4.580 16.948 ( 3.256 0.825 2.642) 4.274 16.964 ( -0.924 -0.888 1.208) 1.761 17.017 ( 0.483 -0.063 -2.522) 2.568 17.130 ( -2.427 -0.305 -3.397) 4.186 17.228 ( 3.423 -0.422 1.666) 3.830 17.728 ( -1.317 0.659 0.646) 1.608 17.796 ( 0.528 -0.456 -0.697) 0.986 18.539 ( -0.936 1.868 -0.657) 2.191 18.615 ( 2.911 0.802 0.511) 3.063 18.827 ( -2.727 0.661 -0.955) 2.964 18.908 ( 2.095 -0.437 0.766) 2.273 28.251 ( -1.331 0.262 0.727) 1.539 28.275 ( 0.631 1.390 1.617) 2.223 28.385 ( -4.398 -1.392 0.607) 4.653 28.476 ( 1.488 -1.233 1.953) 2.748 29.882 ( -0.244 0.768 4.539) 4.610 30.115 ( 3.747 -2.490 -3.063) 5.443 30.381 ( 2.542 -0.982 11.386) 11.707 30.607 ( 2.779 -2.214 -8.129) 8.871 32.098 ( -2.452 -1.441 -0.419) 2.875 32.147 ( 0.309 -0.453 0.460) 0.716 32.867 ( -2.070 0.586 1.885) 2.860 33.036 ( 6.216 -3.351 0.506) 7.080 33.641 ( -3.593 10.194 6.050) 12.387 33.973 ( -0.211 14.769 -10.964) 18.395 34.866 ( -6.812 -5.797 22.058) 23.802 35.668 ( -5.059 -13.671 -34.942) 37.860 ======================= Grid point 133 (67/104) ======================= q-point: (-0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -8.156 12.662 7.905) 17.010 1.329 ( -13.097 12.485 14.737) 23.337 1.605 ( -0.310 3.053 1.314) 3.339 1.890 ( -12.707 0.990 4.146) 13.403 2.104 ( -22.346 13.230 -1.452) 26.010 2.165 ( -0.444 4.886 -5.392) 7.290 2.621 ( -0.499 -9.123 0.685) 9.163 2.721 ( -10.268 -5.723 -1.811) 11.894 2.755 ( -2.196 -1.726 1.991) 3.430 3.011 ( -2.012 -1.677 7.417) 7.866 3.120 ( 3.578 -8.976 -2.393) 9.955 3.247 ( 4.731 -1.737 -4.357) 6.662 3.282 ( 4.531 -0.807 2.810) 5.392 3.336 ( 0.416 -1.028 -1.041) 1.521 3.537 ( -3.370 1.154 2.598) 4.409 3.583 ( 5.588 0.599 2.147) 6.016 3.713 ( -5.151 7.154 -0.079) 8.816 3.917 ( -2.308 1.407 5.213) 5.872 3.992 ( -2.099 0.931 5.370) 5.840 4.108 ( 0.446 1.749 3.110) 3.596 4.218 ( 2.644 5.286 3.634) 6.938 4.377 ( 2.920 1.141 1.298) 3.393 4.617 ( -4.981 -0.497 -1.490) 5.223 4.751 ( -1.913 1.479 -0.100) 2.420 4.855 ( -2.967 -5.228 2.687) 6.585 4.951 ( 4.017 4.933 -0.488) 6.381 5.039 ( -7.613 1.757 5.351) 9.469 5.129 ( 1.511 -5.996 3.583) 7.147 5.169 ( 3.595 -3.442 -0.249) 4.983 5.294 ( -0.472 2.633 5.970) 6.542 5.392 ( -0.005 -0.719 2.245) 2.358 5.506 ( 4.521 0.959 1.298) 4.800 5.668 ( -3.519 0.270 -1.227) 3.737 5.690 ( -2.722 -0.779 -2.412) 3.720 5.752 ( -3.189 -2.185 -1.616) 4.190 5.792 ( 5.663 3.496 -2.546) 7.126 5.878 ( -0.631 1.457 -4.471) 4.744 5.997 ( 4.062 -0.154 -1.500) 4.332 6.012 ( 2.357 -3.490 0.491) 4.240 6.118 ( 1.747 0.008 -1.647) 2.401 6.266 ( 6.952 -3.892 -1.830) 8.175 6.323 ( 4.707 -0.682 -0.356) 4.769 6.604 ( 6.747 -0.925 -0.849) 6.863 6.722 ( 4.040 -1.721 2.391) 5.001 6.779 ( -0.046 1.159 4.032) 4.196 6.869 ( -1.119 -9.049 2.182) 9.376 7.347 ( 1.177 5.761 -9.895) 11.510 7.615 ( 6.094 3.803 -18.674) 20.008 12.033 ( -4.125 -0.667 0.361) 4.194 12.057 ( -3.756 -0.068 0.271) 3.766 12.520 ( 1.869 0.030 2.159) 2.856 12.674 ( 3.369 -1.689 -2.103) 4.316 13.090 ( -6.135 1.589 1.887) 6.613 13.259 ( -7.291 -0.863 -0.999) 7.410 13.718 ( 4.866 2.945 0.304) 5.695 14.015 ( 5.541 -2.049 -0.954) 5.984 16.778 ( -1.313 0.877 -1.452) 2.145 16.947 ( -3.310 -1.392 -2.416) 4.328 16.955 ( -0.820 -0.994 1.604) 2.058 17.028 ( 1.291 -0.284 -0.754) 1.522 17.145 ( 4.750 1.106 2.040) 5.286 17.274 ( 0.155 -0.711 1.312) 1.501 17.714 ( -0.512 0.552 0.402) 0.853 17.790 ( -0.299 -0.263 -0.742) 0.842 18.539 ( 1.466 3.467 -0.441) 3.790 18.673 ( 2.255 0.599 1.139) 2.596 18.755 ( -3.613 1.411 -1.939) 4.337 18.940 ( 0.865 -0.616 -0.086) 1.065 28.200 ( -1.560 0.819 -1.438) 2.274 28.310 ( -3.878 -1.025 0.099) 4.012 28.371 ( 3.844 -0.436 6.500) 7.564 28.512 ( 0.430 -1.172 2.383) 2.690 29.922 ( 0.373 0.593 4.143) 4.202 30.164 ( 3.990 -1.543 -3.426) 5.481 30.594 ( 7.135 -8.740 9.371) 14.667 30.640 ( 8.108 -5.529 1.354) 9.906 32.061 ( -1.195 -0.305 0.560) 1.354 32.148 ( -1.384 -0.737 1.393) 2.097 32.834 ( -1.748 1.129 -0.852) 2.248 33.164 ( 5.997 -1.250 -0.773) 6.175 33.574 ( -4.044 8.776 -2.946) 10.102 33.888 ( -2.146 19.214 -4.725) 19.902 34.779 ( -17.589 -10.350 7.043) 21.590 35.189 ( -15.445 -3.552 -25.003) 29.603 ======================= Grid point 134 (68/104) ======================= q-point: (-0.12 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -4.589 17.559 13.450) 22.589 1.246 ( -9.989 15.324 18.316) 25.886 1.575 ( 0.138 -0.779 2.785) 2.895 1.740 ( -14.537 8.907 14.725) 22.528 1.890 ( 3.005 9.895 0.385) 10.348 2.142 ( 1.591 5.842 -4.217) 7.379 2.491 ( -6.236 -2.210 -3.283) 7.385 2.587 ( -4.963 -4.732 0.740) 6.897 2.807 ( -0.847 -11.597 3.876) 12.256 3.051 ( -0.604 -4.815 7.392) 8.842 3.139 ( 2.983 -10.171 -2.963) 11.006 3.257 ( 2.343 -1.180 -9.301) 9.664 3.319 ( -1.936 -5.610 -1.736) 6.183 3.361 ( 1.249 0.995 3.018) 3.415 3.486 ( -1.965 2.407 1.280) 3.360 3.635 ( -2.424 -0.393 1.275) 2.767 3.720 ( 3.561 7.390 1.405) 8.323 3.882 ( -1.440 5.831 4.291) 7.381 4.097 ( 3.127 0.129 8.115) 8.698 4.152 ( 0.642 1.413 2.349) 2.815 4.229 ( -2.952 -0.148 3.253) 4.395 4.412 ( -1.921 2.378 2.876) 4.197 4.549 ( -0.424 1.626 2.669) 3.154 4.725 ( -1.487 -0.741 1.417) 2.184 4.851 ( 0.104 -2.573 1.314) 2.891 4.943 ( -3.900 3.175 4.342) 6.644 5.013 ( 1.411 2.701 0.445) 3.080 5.107 ( 2.378 -4.265 -9.348) 10.546 5.185 ( -5.147 2.994 1.109) 6.057 5.377 ( -1.001 -6.350 3.173) 7.169 5.478 ( 4.040 -2.130 2.710) 5.311 5.505 ( -8.806 0.624 -8.666) 12.371 5.584 ( -3.626 -2.415 -0.042) 4.357 5.690 ( 0.277 -1.625 0.399) 1.696 5.699 ( 4.799 -4.337 4.509) 7.885 5.856 ( 3.958 2.257 -0.198) 4.561 5.898 ( 4.919 -2.484 -4.481) 7.103 6.029 ( 0.432 1.054 0.848) 1.420 6.092 ( 4.739 -2.934 -1.181) 5.698 6.174 ( 6.435 4.845 -1.167) 8.139 6.356 ( 5.245 -1.884 0.124) 5.575 6.419 ( 5.725 -2.306 -0.480) 6.191 6.621 ( -2.357 -6.054 -2.655) 7.018 6.733 ( -1.855 -4.624 6.506) 8.194 6.822 ( 4.828 2.769 -3.546) 6.599 6.976 ( 3.945 -1.612 4.889) 6.485 7.271 ( 0.801 6.396 -9.604) 11.567 7.483 ( -2.864 7.952 -17.228) 19.189 11.969 ( -3.082 -0.271 0.735) 3.180 11.995 ( -2.356 0.247 -0.532) 2.428 12.563 ( 0.723 -0.159 1.948) 2.083 12.704 ( 1.791 -1.584 -2.503) 3.461 13.013 ( -3.881 1.109 2.058) 4.531 13.136 ( -4.451 -0.557 -1.284) 4.666 13.813 ( 4.273 3.049 1.358) 5.422 14.070 ( 1.809 -1.745 -2.452) 3.511 16.767 ( 0.779 0.341 -0.652) 1.072 16.856 ( -3.840 -0.844 -1.807) 4.327 16.962 ( -0.108 -1.385 1.884) 2.341 17.046 ( 1.831 -0.706 -1.411) 2.417 17.259 ( 3.915 -0.872 2.486) 4.719 17.267 ( -1.531 -0.571 1.394) 2.148 17.715 ( 0.245 0.212 0.427) 0.536 17.778 ( -0.376 -0.146 -0.820) 0.914 18.580 ( 3.097 4.583 -1.054) 5.631 18.660 ( -3.819 2.728 -1.343) 4.881 18.729 ( 1.827 0.121 1.974) 2.692 18.935 ( -0.924 -0.352 -1.179) 1.539 28.176 ( -0.146 0.776 -0.614) 1.000 28.246 ( -2.826 -0.653 -0.305) 2.917 28.501 ( 4.145 -2.672 4.282) 6.531 28.534 ( 0.125 -1.113 2.515) 2.753 29.959 ( -0.086 0.732 3.976) 4.043 30.193 ( 2.264 -0.618 -3.870) 4.526 30.712 ( 10.157 -5.199 -5.881) 12.837 30.910 ( -0.988 -31.557 15.938) 35.368 32.061 ( -0.461 -0.035 0.881) 0.995 32.130 ( -1.258 -0.604 2.390) 2.767 32.751 ( -3.868 3.763 -4.431) 6.982 33.190 ( -0.852 4.323 -6.016) 7.457 33.540 ( 7.365 10.573 -5.541) 14.026 33.801 ( -4.654 18.762 -0.815) 19.347 34.463 ( -3.885 -2.374 -5.981) 7.517 34.813 ( -18.986 6.067 5.040) 20.559 ======================= Grid point 135 (69/104) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 1.922 17.804 10.403) 20.710 1.500 ( -5.198 10.160 6.604) 13.186 1.730 ( 4.686 4.086 9.504) 11.357 1.920 ( -0.711 9.272 4.782) 10.457 2.158 ( -0.037 -7.423 0.776) 7.463 2.323 ( 4.930 6.998 -8.184) 11.843 2.362 ( 7.685 0.821 4.730) 9.061 2.389 ( 0.508 -8.016 -0.404) 8.042 2.649 ( -3.343 7.113 -5.439) 9.558 2.860 ( 2.197 -8.072 -6.596) 10.653 2.980 ( -5.614 -7.995 -0.424) 9.778 3.076 ( -3.885 -6.815 8.685) 11.703 3.191 ( -0.877 -1.322 -4.635) 4.899 3.404 ( -0.498 -1.995 -1.171) 2.366 3.489 ( 2.793 -2.428 -2.367) 4.393 3.554 ( 2.051 -5.490 -3.130) 6.644 3.920 ( 4.570 4.217 4.697) 7.793 3.946 ( -5.127 3.863 4.971) 8.119 4.187 ( -2.730 1.841 0.582) 3.344 4.263 ( 7.832 3.119 0.691) 8.458 4.435 ( -0.085 4.284 8.232) 9.280 4.442 ( 1.469 7.395 11.193) 13.495 4.608 ( 0.990 -2.247 2.225) 3.313 4.730 ( -1.341 -1.603 0.893) 2.272 4.774 ( -1.585 -1.875 1.506) 2.881 4.860 ( -3.805 -2.637 1.093) 4.757 5.011 ( -1.442 -3.468 0.208) 3.761 5.107 ( -5.810 -0.844 3.259) 6.715 5.197 ( 2.472 4.591 1.128) 5.335 5.215 ( -1.457 5.494 -3.367) 6.606 5.392 ( -2.368 0.035 3.748) 4.433 5.526 ( 2.346 -2.382 1.366) 3.612 5.585 ( 0.763 1.378 6.640) 6.824 5.625 ( 0.145 -1.307 -0.611) 1.450 5.751 ( 2.117 -1.235 -0.554) 2.513 5.856 ( 2.749 -2.189 -4.252) 5.516 5.954 ( 0.883 3.287 -0.377) 3.424 6.057 ( -1.942 0.194 -1.647) 2.554 6.095 ( 1.257 1.887 1.036) 2.493 6.266 ( 0.203 1.388 0.532) 1.500 6.346 ( -0.715 -6.246 4.629) 7.807 6.404 ( -6.811 -4.395 -0.901) 8.156 6.508 ( 8.416 -4.831 0.829) 9.740 6.605 ( -3.965 -4.519 -2.331) 6.447 6.938 ( -2.399 2.591 -0.074) 3.532 7.016 ( -0.002 -0.659 0.416) 0.779 7.322 ( 0.866 4.355 -14.600) 15.260 7.412 ( 4.097 0.370 -20.124) 20.540 11.951 ( -0.305 0.794 0.523) 0.999 11.974 ( 0.505 -0.208 -0.441) 0.702 12.587 ( -0.545 0.930 1.492) 1.841 12.660 ( -0.064 -2.177 -1.727) 2.779 13.016 ( -0.130 1.468 1.510) 2.110 13.073 ( 0.205 -0.942 -0.811) 1.260 13.937 ( 1.219 2.289 0.897) 2.744 14.016 ( -1.106 -1.558 -2.206) 2.919 16.776 ( -0.915 0.159 0.771) 1.207 16.790 ( -0.805 -0.375 0.632) 1.090 16.958 ( 0.298 0.406 -0.249) 0.562 17.026 ( 1.254 -2.161 -2.567) 3.582 17.259 ( -0.042 0.005 1.710) 1.711 17.281 ( 0.310 -1.179 1.007) 1.581 17.731 ( 0.209 0.419 -0.036) 0.469 17.755 ( -0.221 -0.555 -0.961) 1.131 18.645 ( -1.688 2.076 0.281) 2.690 18.672 ( 0.406 1.375 -0.805) 1.644 18.818 ( 2.231 1.733 1.100) 3.032 18.881 ( -1.797 -0.753 -1.426) 2.414 28.192 ( 0.415 0.364 0.053) 0.555 28.197 ( -1.084 -0.098 -0.170) 1.102 28.511 ( -0.268 -1.216 2.404) 2.707 28.524 ( 0.471 -2.409 2.643) 3.607 30.011 ( -1.104 1.769 4.323) 4.799 30.146 ( -2.091 -3.958 1.407) 4.692 30.452 ( -7.281 -2.665 5.738) 9.645 30.700 ( 7.443 -10.490 -3.726) 13.391 32.077 ( 0.614 1.156 2.211) 2.569 32.121 ( -0.386 -0.307 1.554) 1.631 32.766 ( 0.321 1.704 -2.517) 3.057 32.924 ( -8.255 -5.261 -7.987) 12.633 33.834 ( -3.816 7.965 2.481) 9.174 33.961 ( 3.893 2.394 -3.396) 5.693 34.697 ( -7.228 8.378 1.032) 11.113 34.827 ( 22.398 2.673 -3.781) 22.871 ======================= Grid point 136 (70/104) ======================= q-point: ( 0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 6.472 12.123 7.907) 15.855 1.484 ( 2.440 10.595 3.494) 11.420 1.860 ( 3.044 1.712 4.453) 5.659 1.934 ( -2.309 11.338 2.831) 11.912 2.074 ( -4.621 -5.983 -2.500) 7.963 2.332 ( -1.760 6.771 -7.726) 10.422 2.435 ( 10.805 -5.849 -4.514) 13.089 2.531 ( 2.911 -7.539 6.572) 10.417 2.721 ( 10.664 -0.428 -6.507) 12.500 2.821 ( 1.136 -4.162 -7.492) 8.646 2.945 ( -1.313 -1.785 4.773) 5.263 3.120 ( 2.699 -5.327 11.457) 12.920 3.180 ( 3.356 -4.083 -1.502) 5.495 3.392 ( 0.847 -2.306 -2.283) 3.354 3.527 ( 1.682 -2.836 -0.509) 3.336 3.602 ( 6.558 -7.176 -3.984) 10.506 3.885 ( -2.366 6.030 0.369) 6.488 3.999 ( -4.015 2.142 3.549) 5.771 4.155 ( 0.419 6.250 0.777) 6.312 4.317 ( -0.255 1.930 -0.458) 2.000 4.501 ( 2.434 5.798 3.030) 6.980 4.524 ( -2.325 4.908 3.767) 6.610 4.673 ( -3.378 0.311 4.623) 5.734 4.728 ( 5.927 -3.330 3.088) 7.467 4.788 ( -0.800 -2.199 -1.249) 2.653 4.818 ( 1.473 -2.983 1.051) 3.489 4.982 ( 1.226 2.962 3.421) 4.689 5.123 ( 2.564 2.252 -1.326) 3.661 5.206 ( 1.363 2.799 4.907) 5.811 5.245 ( 2.694 3.173 -0.417) 4.183 5.403 ( -0.846 1.451 6.967) 7.167 5.526 ( -2.182 0.397 1.140) 2.493 5.607 ( 1.653 -1.467 -0.930) 2.398 5.707 ( 0.168 -4.690 -0.928) 4.784 5.724 ( -0.843 0.842 -3.455) 3.655 5.857 ( 0.564 -1.199 -3.615) 3.850 5.918 ( -4.158 3.511 3.346) 6.388 6.008 ( -2.999 -0.168 -0.748) 3.095 6.117 ( 1.603 5.113 2.294) 5.829 6.226 ( -2.971 2.117 -3.696) 5.193 6.274 ( -8.184 -3.005 2.971) 9.210 6.320 ( -7.623 -3.084 2.326) 8.545 6.459 ( -5.106 -5.009 -3.910) 8.152 6.658 ( 4.594 -10.315 3.055) 11.698 6.806 ( -9.679 4.340 0.070) 10.607 6.945 ( -7.495 -0.341 -0.370) 7.511 7.250 ( 4.495 2.205 -10.418) 11.559 7.386 ( 5.193 -4.051 -14.106) 15.568 11.970 ( 1.921 0.997 0.318) 2.187 12.006 ( 3.077 -0.637 -0.327) 3.159 12.576 ( -2.146 0.587 1.835) 2.884 12.630 ( -1.633 -1.747 -1.581) 2.866 13.066 ( 4.124 1.041 1.500) 4.510 13.108 ( 4.336 -0.543 -1.129) 4.513 13.942 ( -2.075 0.654 0.879) 2.346 13.950 ( -3.432 0.140 -1.646) 3.809 16.761 ( -0.814 1.072 0.799) 1.565 16.799 ( 0.739 -0.628 0.645) 1.164 16.973 ( 1.210 0.040 0.266) 1.239 17.032 ( 1.634 -2.105 -2.510) 3.661 17.266 ( -0.685 -0.079 0.920) 1.149 17.290 ( 0.067 -1.315 0.483) 1.402 17.727 ( -0.455 0.177 -0.074) 0.493 17.748 ( 0.293 -0.520 -0.558) 0.817 18.617 ( -1.590 2.793 0.609) 3.271 18.685 ( 0.795 0.464 0.339) 0.980 18.828 ( -1.904 0.966 -1.500) 2.609 18.862 ( 1.086 -0.230 0.814) 1.376 28.185 ( -0.088 0.646 -0.226) 0.690 28.212 ( 1.509 -0.457 0.446) 1.639 28.512 ( -1.154 -0.629 1.447) 1.955 28.541 ( -0.651 -2.535 1.716) 3.130 30.011 ( -2.888 1.173 4.286) 5.300 30.100 ( -4.121 -3.031 2.876) 5.868 30.377 ( -3.714 4.490 2.125) 6.202 30.789 ( 3.746 -14.820 -2.613) 15.508 32.090 ( -0.875 1.637 0.814) 2.027 32.151 ( 2.207 -0.519 1.268) 2.597 32.730 ( -1.875 2.195 -1.786) 3.395 32.895 ( 7.365 -6.466 1.642) 9.937 33.668 ( -10.818 10.002 -0.401) 14.739 33.967 ( -3.480 -3.987 -0.512) 5.317 34.651 ( 3.779 19.485 -3.569) 20.167 35.240 ( 24.771 -8.828 -9.814) 28.069 ======================= Grid point 137 (71/104) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 1.621 12.910 0.475) 13.020 1.639 ( 4.790 1.857 -0.280) 5.146 1.862 ( 2.564 2.622 -9.100) 9.811 1.946 ( 3.093 8.867 6.957) 11.687 2.076 ( 0.056 -2.784 9.570) 9.966 2.278 ( 4.195 9.778 -9.649) 14.364 2.583 ( 1.160 -8.114 4.331) 9.271 2.646 ( 11.225 -4.275 -4.715) 12.903 2.742 ( -0.806 -9.068 -2.362) 9.405 2.824 ( 4.830 -3.540 -5.991) 8.470 2.933 ( -3.392 1.163 4.153) 5.487 3.244 ( 0.571 -8.571 1.249) 8.680 3.288 ( 2.406 4.846 3.166) 6.269 3.423 ( 2.532 -1.942 0.711) 3.270 3.571 ( 1.866 -2.560 0.973) 3.314 3.685 ( 4.878 -6.508 -2.867) 8.624 3.897 ( 2.383 4.381 -0.567) 5.019 3.911 ( 1.362 4.347 -3.738) 5.892 4.140 ( -3.759 3.679 2.570) 5.854 4.266 ( -4.309 -2.181 -2.261) 5.332 4.514 ( 0.981 4.365 -4.484) 6.334 4.557 ( 1.329 5.001 -1.434) 5.369 4.669 ( 3.037 1.650 4.866) 5.969 4.728 ( 0.232 1.634 -2.404) 2.916 4.815 ( 1.340 -2.257 -1.473) 3.009 4.951 ( 3.644 -2.632 7.253) 8.533 5.070 ( 2.200 7.489 0.291) 7.811 5.134 ( 1.712 4.284 0.310) 4.624 5.277 ( 1.679 5.212 1.471) 5.670 5.364 ( 5.891 -1.835 7.326) 9.578 5.426 ( -4.074 -2.554 2.854) 5.591 5.499 ( 0.562 -1.000 3.664) 3.839 5.579 ( -2.845 -2.934 -4.944) 6.415 5.671 ( 1.115 -3.288 -0.133) 3.474 5.728 ( 3.623 2.469 -0.986) 4.494 5.783 ( -7.008 0.812 -3.913) 8.067 5.880 ( -1.540 -0.444 0.476) 1.672 5.929 ( -2.683 -1.740 1.915) 3.728 6.049 ( -11.715 1.182 -0.773) 11.799 6.138 ( -4.142 0.968 -1.100) 4.393 6.208 ( -3.259 -3.158 -0.319) 4.550 6.237 ( 1.101 8.941 -1.673) 9.163 6.336 ( -5.533 -5.778 4.370) 9.116 6.618 ( -10.710 0.702 3.727) 11.362 6.712 ( -2.996 -5.641 -1.490) 6.559 6.838 ( -1.751 -3.734 3.656) 5.511 7.264 ( 2.716 0.618 -6.807) 7.355 7.349 ( 1.738 -2.490 -6.931) 7.567 12.023 ( 3.339 1.076 0.276) 3.519 12.074 ( 4.263 -1.270 -0.359) 4.463 12.540 ( -3.427 0.273 2.105) 4.031 12.579 ( -2.397 -1.469 -1.237) 3.071 13.181 ( 6.594 0.534 0.702) 6.653 13.208 ( 7.058 -0.330 -0.641) 7.095 13.839 ( -5.536 1.792 -2.145) 6.202 13.904 ( -4.158 -0.850 1.608) 4.538 16.767 ( 1.006 1.775 0.563) 2.117 16.831 ( 2.037 -1.129 1.064) 2.561 17.002 ( 1.483 0.332 0.147) 1.527 17.042 ( 1.563 -1.195 -2.389) 3.095 17.245 ( -2.199 0.106 -0.436) 2.245 17.279 ( -1.215 -1.781 -0.357) 2.186 17.724 ( 0.401 0.318 0.073) 0.517 17.756 ( 0.574 -0.635 0.091) 0.861 18.593 ( -1.423 2.969 0.539) 3.336 18.692 ( -1.274 -1.110 0.991) 1.959 18.794 ( 0.279 2.635 -1.427) 3.010 18.881 ( 0.199 -1.183 0.772) 1.427 28.189 ( 0.696 1.393 -0.111) 1.561 28.254 ( 2.351 -1.440 0.767) 2.861 28.491 ( -1.971 -0.048 0.218) 1.984 28.530 ( -1.792 -2.084 1.128) 2.971 29.974 ( -4.701 1.418 4.502) 6.662 30.057 ( -2.772 -2.417 2.275) 4.324 30.346 ( -1.157 6.414 0.772) 6.563 30.768 ( -2.876 -14.085 -3.749) 14.857 32.088 ( 0.217 0.755 0.287) 0.836 32.170 ( -0.310 -2.466 -0.724) 2.589 32.779 ( 4.191 6.344 3.391) 8.325 33.022 ( 1.769 -3.789 2.852) 5.062 33.537 ( -1.628 7.708 1.499) 8.020 33.915 ( -0.547 -7.827 4.576) 9.083 34.715 ( 6.297 23.426 -7.130) 25.284 35.532 ( 17.318 -15.324 -14.783) 27.446 ======================= Grid point 138 (72/104) ======================= q-point: ( 0.38 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -0.075 12.337 -4.886) 13.270 1.632 ( -1.958 6.401 -4.868) 8.277 1.981 ( 10.835 -6.029 2.307) 12.612 2.098 ( -4.124 -3.459 5.734) 7.864 2.127 ( 5.672 9.051 7.797) 13.224 2.311 ( 7.552 7.413 -10.345) 14.799 2.613 ( 2.349 1.538 0.878) 2.941 2.700 ( -4.410 -6.931 3.116) 8.787 2.779 ( -4.711 -3.955 2.315) 6.572 2.870 ( 11.806 -5.540 -2.643) 13.307 2.952 ( 3.145 -3.474 -4.110) 6.234 3.213 ( -1.396 -11.411 -1.974) 11.664 3.271 ( -4.594 5.729 0.799) 7.386 3.391 ( -7.418 -2.666 0.853) 7.929 3.542 ( 2.090 4.555 -4.510) 6.742 3.754 ( 2.721 -0.887 -2.768) 3.981 3.921 ( 1.015 2.835 0.310) 3.027 4.031 ( 3.945 5.226 1.207) 6.658 4.086 ( 0.287 -2.170 -1.385) 2.590 4.155 ( -4.593 -0.788 -2.956) 5.519 4.438 ( -3.582 2.575 -7.166) 8.415 4.545 ( -1.842 -0.121 -3.809) 4.232 4.740 ( 1.913 1.529 0.562) 2.513 4.804 ( 6.115 5.865 1.976) 8.700 4.873 ( 5.756 -1.362 0.166) 5.917 4.995 ( -1.681 6.512 1.321) 6.854 5.070 ( 0.328 5.141 -0.706) 5.200 5.112 ( -2.228 5.900 -2.186) 6.675 5.306 ( 0.899 -4.126 -0.036) 4.223 5.409 ( -4.109 -7.769 -4.668) 9.951 5.459 ( -0.950 1.913 1.228) 2.464 5.511 ( 3.686 -2.824 5.123) 6.914 5.559 ( 0.231 0.645 1.283) 1.454 5.618 ( -5.313 1.310 0.978) 5.559 5.700 ( -2.498 -0.410 3.233) 4.105 5.838 ( 2.373 -1.140 4.098) 4.871 5.868 ( 3.385 2.234 1.673) 4.387 5.916 ( 0.789 0.350 -2.088) 2.260 5.937 ( -0.410 0.334 3.728) 3.765 6.045 ( -3.545 1.468 -2.338) 4.493 6.095 ( -8.689 1.181 3.096) 9.299 6.200 ( 5.133 -5.464 -8.351) 11.222 6.304 ( -8.140 -2.488 3.791) 9.317 6.487 ( -9.750 -7.400 2.722) 12.539 6.660 ( 2.381 4.136 4.751) 6.734 6.875 ( -0.602 -5.239 5.107) 7.341 7.246 ( 2.352 2.999 -4.117) 5.611 7.363 ( 3.838 -1.960 -3.770) 5.726 12.088 ( 3.063 0.979 0.327) 3.232 12.142 ( 2.972 -1.512 -0.648) 3.397 12.490 ( -3.519 0.254 2.256) 4.188 12.531 ( -1.405 -1.578 -0.816) 2.265 13.302 ( 5.968 0.908 -0.401) 6.050 13.345 ( 6.725 -0.512 0.276) 6.750 13.723 ( -4.441 2.284 -1.537) 5.225 13.819 ( -5.841 -1.532 0.804) 6.092 16.809 ( 2.664 2.104 1.068) 3.559 16.887 ( 2.366 -1.473 1.656) 3.242 17.020 ( 0.679 0.774 -1.321) 1.675 17.056 ( 1.947 -0.922 -1.762) 2.783 17.170 ( -3.960 1.395 -2.098) 4.694 17.246 ( -2.125 -2.447 -0.694) 3.314 17.743 ( 1.145 0.363 0.475) 1.291 17.765 ( 0.206 -0.251 0.208) 0.386 18.578 ( -0.448 2.558 0.408) 2.629 18.653 ( -2.817 -0.496 0.181) 2.866 18.814 ( 1.969 1.616 -0.027) 2.548 18.883 ( -0.441 -1.248 0.357) 1.371 28.208 ( 1.161 2.013 0.473) 2.372 28.307 ( 2.381 -2.455 1.064) 3.582 28.442 ( -2.742 0.743 -1.093) 3.044 28.494 ( -2.821 -1.758 0.550) 3.369 29.925 ( -4.158 2.007 4.271) 6.290 30.030 ( -1.683 -2.899 1.141) 3.541 30.341 ( -0.191 5.620 1.000) 5.711 30.658 ( -3.796 -9.252 -5.095) 11.223 32.095 ( 0.411 0.037 -0.177) 0.449 32.152 ( -0.721 -2.559 -0.564) 2.718 32.836 ( -0.141 4.932 1.257) 5.092 33.021 ( -2.368 -1.895 0.561) 3.084 33.624 ( 5.419 8.539 7.964) 12.873 34.062 ( 6.223 -8.837 13.179) 17.044 34.745 ( 4.168 22.087 -8.708) 24.105 35.638 ( 9.270 -18.836 -19.063) 28.357 ======================= Grid point 139 (73/104) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -5.515 10.836 -0.969) 12.198 1.568 ( 2.951 10.731 -6.536) 12.907 1.964 ( -10.753 4.577 4.713) 12.601 2.177 ( -0.323 2.022 6.345) 6.667 2.290 ( 6.925 -9.851 5.294) 13.154 2.356 ( 3.462 4.497 -6.867) 8.908 2.617 ( -2.787 -3.829 -1.527) 4.976 2.695 ( -2.773 5.711 4.163) 7.592 2.721 ( 5.854 -8.786 -3.856) 11.239 2.900 ( -3.156 -2.304 -2.621) 4.705 3.045 ( 3.521 -8.199 -0.432) 8.934 3.157 ( 0.413 -6.460 -3.253) 7.245 3.234 ( 0.043 0.713 0.262) 0.760 3.303 ( -0.205 -1.411 -0.505) 1.513 3.567 ( -0.526 6.077 0.915) 6.168 3.713 ( -3.979 0.098 -3.952) 5.609 3.882 ( -4.319 2.076 1.921) 5.162 3.997 ( -3.679 2.297 0.860) 4.421 4.099 ( 1.130 3.680 -2.630) 4.662 4.158 ( 4.676 0.380 -1.988) 5.095 4.284 ( -6.456 2.808 -3.421) 7.828 4.419 ( -5.742 0.980 -5.944) 8.323 4.761 ( -2.366 0.610 3.587) 4.340 4.877 ( -0.067 -0.634 -1.609) 1.731 4.982 ( 3.923 7.569 -1.081) 8.594 5.001 ( 0.017 7.067 -0.235) 7.071 5.033 ( -0.109 4.048 0.652) 4.102 5.102 ( -1.374 1.403 3.344) 3.878 5.256 ( -6.330 -3.733 -5.979) 9.474 5.301 ( 0.955 -5.604 -5.078) 7.623 5.473 ( -6.426 2.423 2.865) 7.442 5.520 ( 5.944 1.394 1.647) 6.324 5.563 ( 1.944 1.912 2.384) 3.622 5.602 ( -2.701 0.886 1.113) 3.053 5.734 ( 3.062 -6.658 6.333) 9.686 5.850 ( -2.189 -1.193 1.918) 3.145 5.927 ( -3.206 4.804 0.471) 5.794 5.933 ( -0.034 -2.172 1.275) 2.519 5.970 ( 2.429 -2.825 -0.173) 3.730 6.036 ( -0.336 0.057 0.428) 0.547 6.133 ( -1.330 0.031 1.819) 2.254 6.141 ( 8.269 -0.245 0.921) 8.323 6.237 ( -3.223 -6.359 -1.645) 7.316 6.349 ( 1.312 -6.530 -2.445) 7.095 6.784 ( 1.781 2.154 8.214) 8.677 6.880 ( -3.731 -2.215 5.379) 6.911 7.317 ( 8.728 3.130 -4.499) 10.306 7.426 ( 7.789 -2.132 -6.428) 10.321 12.126 ( 0.080 0.428 0.589) 0.733 12.157 ( -0.797 -1.060 -0.815) 1.557 12.461 ( -1.178 0.732 2.077) 2.498 12.527 ( 1.710 -2.166 -0.692) 2.845 13.357 ( -2.209 2.165 0.839) 3.205 13.420 ( 1.827 0.234 -1.309) 2.260 13.688 ( -0.425 -0.015 0.486) 0.646 13.736 ( 0.482 -1.122 -0.868) 1.498 16.876 ( 2.604 1.588 2.222) 3.773 16.928 ( -0.020 -0.786 1.851) 2.011 16.997 ( -1.756 1.176 -2.551) 3.313 17.044 ( -0.835 -0.345 -3.227) 3.351 17.141 ( 2.571 0.401 0.223) 2.612 17.186 ( -2.893 -1.739 -1.676) 3.769 17.756 ( -0.510 0.591 0.656) 1.020 17.775 ( 0.950 -0.298 -0.140) 1.006 18.586 ( 0.517 1.784 0.707) 1.988 18.611 ( -1.019 0.942 -0.296) 1.419 18.852 ( 1.433 -0.030 0.557) 1.538 18.871 ( -0.654 -0.672 -0.269) 0.975 28.240 ( 1.212 2.140 1.790) 3.042 28.337 ( -1.034 -1.687 -0.304) 2.002 28.393 ( -0.785 0.051 0.175) 0.805 28.440 ( -2.722 -1.453 -0.120) 3.088 29.899 ( -2.274 2.073 4.028) 5.069 30.019 ( -0.165 -3.521 0.771) 3.608 30.356 ( 0.511 4.231 1.804) 4.628 30.572 ( -0.582 -5.406 -5.454) 7.702 32.100 ( -0.152 -0.355 0.390) 0.548 32.133 ( -0.545 -1.552 -0.798) 1.828 32.853 ( 1.280 1.949 1.982) 3.060 32.964 ( -2.029 -2.529 -2.429) 4.052 33.809 ( 3.277 12.559 13.275) 18.566 34.245 ( 1.506 -1.446 7.991) 8.259 34.750 ( 1.853 11.992 -1.899) 12.282 35.563 ( 1.791 -20.564 -23.789) 31.496 ======================= Grid point 140 (74/104) ======================= q-point: (-0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -10.976 13.239 -1.031) 17.229 1.577 ( -1.577 3.264 -0.054) 3.625 1.813 ( -9.650 11.756 7.004) 16.744 2.111 ( -10.530 1.627 2.994) 11.067 2.313 ( 1.891 -3.990 -4.640) 6.405 2.388 ( -1.400 3.155 -1.723) 3.858 2.591 ( -1.768 -13.153 -0.297) 13.275 2.698 ( 1.916 -1.647 -4.686) 5.324 2.726 ( -1.464 2.217 4.949) 5.617 2.937 ( 1.284 -2.159 1.745) 3.058 3.026 ( 2.351 -1.884 -2.088) 3.666 3.148 ( -1.022 -4.786 -6.349) 8.016 3.265 ( 1.375 1.641 0.686) 2.248 3.371 ( 8.171 -0.264 0.991) 8.235 3.429 ( -10.655 3.817 2.734) 11.644 3.617 ( -5.492 -1.004 -0.558) 5.611 3.864 ( -0.309 2.601 4.257) 4.998 3.990 ( -1.728 2.835 2.888) 4.401 4.060 ( -1.072 2.530 -4.924) 5.639 4.142 ( -2.806 -0.707 -3.259) 4.358 4.264 ( 0.540 1.117 4.936) 5.090 4.331 ( 1.592 5.138 0.971) 5.466 4.722 ( -5.773 -2.267 6.113) 8.709 4.819 ( -4.290 -2.961 -2.213) 5.663 4.856 ( -6.418 6.870 -1.546) 9.528 5.012 ( -5.417 -0.131 4.240) 6.881 5.065 ( 1.665 6.837 0.920) 7.097 5.090 ( -5.380 -1.760 -2.083) 6.032 5.130 ( 0.395 -1.733 1.217) 2.154 5.295 ( 2.455 -2.404 -5.743) 6.693 5.467 ( 1.904 3.359 0.940) 3.974 5.524 ( -3.915 6.549 5.711) 9.530 5.634 ( 0.929 -1.379 4.391) 4.695 5.708 ( 6.587 -2.048 -1.378) 7.034 5.745 ( -0.569 1.043 -3.522) 3.717 5.825 ( -4.008 -4.935 4.301) 7.676 5.867 ( -4.653 -4.234 1.164) 6.398 5.919 ( -0.111 -3.754 -3.438) 5.091 5.968 ( 2.754 3.108 0.078) 4.153 6.053 ( 2.356 -0.415 -0.219) 2.402 6.129 ( 2.162 -2.536 -2.795) 4.350 6.192 ( 2.541 -3.902 1.913) 5.034 6.408 ( 13.510 0.367 0.876) 13.543 6.484 ( 10.986 -3.080 -0.649) 11.428 6.820 ( -3.930 0.282 4.507) 5.986 6.828 ( -4.631 -0.744 3.404) 5.796 7.433 ( 7.772 3.479 -7.750) 11.514 7.551 ( 12.433 -1.791 -10.891) 16.625 12.096 ( -3.563 -0.094 0.700) 3.633 12.112 ( -3.031 -0.644 -0.307) 3.113 12.484 ( 1.655 1.250 1.551) 2.590 12.573 ( 3.526 -2.619 -1.007) 4.506 13.259 ( -7.265 3.100 0.813) 7.940 13.371 ( -6.120 -1.638 -0.509) 6.356 13.700 ( 3.744 2.937 -0.547) 4.790 13.837 ( 7.168 -3.077 -0.042) 7.800 16.869 ( -3.913 1.442 -0.417) 4.191 16.936 ( -1.991 -1.596 2.496) 3.569 16.973 ( 1.505 1.222 -0.305) 1.963 17.011 ( -0.023 -0.510 -3.049) 3.092 17.137 ( 0.019 1.082 -1.208) 1.622 17.207 ( 2.913 -1.553 0.892) 3.419 17.746 ( -0.874 1.071 0.237) 1.402 17.785 ( 0.257 -0.637 -0.298) 0.748 18.589 ( 0.329 2.706 0.165) 2.731 18.634 ( 2.263 0.774 0.638) 2.476 18.838 ( -1.662 0.457 -0.853) 1.923 18.889 ( 1.419 -1.488 0.281) 2.075 28.263 ( -1.776 0.923 0.863) 2.180 28.302 ( -0.121 0.564 0.751) 0.947 28.362 ( -2.814 -0.119 0.877) 2.950 28.440 ( 1.313 -2.161 1.462) 2.921 29.909 ( -0.364 1.883 4.066) 4.495 30.042 ( 1.654 -4.191 1.301) 4.689 30.393 ( 1.201 2.213 3.507) 4.317 30.544 ( 2.368 -3.818 -5.777) 7.319 32.084 ( -1.499 0.231 0.330) 1.552 32.131 ( 0.227 -1.162 -0.000) 1.184 32.886 ( 0.093 1.288 0.106) 1.295 32.970 ( 4.826 -2.878 0.898) 5.690 33.905 ( -4.715 14.371 9.291) 17.750 34.253 ( -0.758 7.948 -2.779) 8.454 34.762 ( -5.170 -0.654 7.551) 9.174 35.323 ( -4.506 -18.626 -25.495) 31.895 ======================= Grid point 141 (75/104) ======================= q-point: (-0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -4.548 14.967 7.238) 17.236 1.526 ( -6.061 0.424 8.548) 10.488 1.696 ( -10.270 9.974 6.645) 15.784 1.929 ( -5.320 2.639 -4.676) 7.558 2.277 ( -3.969 0.208 -2.177) 4.532 2.341 ( -1.294 5.677 -2.615) 6.382 2.501 ( -7.088 -6.711 2.206) 10.007 2.579 ( -7.983 7.980 -5.411) 12.517 2.780 ( 0.458 0.886 0.999) 1.411 2.933 ( 0.598 -5.705 -4.878) 7.530 2.980 ( -4.258 -3.426 4.004) 6.775 3.152 ( 3.934 -7.517 -3.557) 9.200 3.327 ( 2.475 4.839 1.909) 5.761 3.331 ( -3.004 0.408 4.474) 5.405 3.514 ( -2.965 -2.750 -0.245) 4.052 3.582 ( 8.147 -0.898 3.357) 8.857 3.847 ( -5.339 5.228 -0.936) 7.531 3.946 ( -2.236 0.650 2.635) 3.516 4.006 ( -0.461 0.640 2.666) 2.780 4.125 ( 0.302 -2.389 0.425) 2.445 4.288 ( -2.636 4.429 7.966) 9.488 4.442 ( 4.910 3.898 2.048) 6.596 4.633 ( -6.304 0.009 2.692) 6.854 4.722 ( -3.407 -2.864 1.075) 4.579 4.813 ( -0.782 1.342 3.030) 3.405 4.966 ( -2.479 -7.522 2.305) 8.248 5.049 ( -4.048 -0.346 8.144) 9.101 5.079 ( -0.620 2.394 -1.344) 2.814 5.107 ( 0.022 1.194 3.038) 3.265 5.311 ( 2.790 -1.455 -1.144) 3.348 5.418 ( -7.827 3.519 3.852) 9.406 5.536 ( -0.593 1.624 3.334) 3.756 5.626 ( -2.905 -3.054 -4.241) 5.980 5.712 ( -2.267 1.713 -2.262) 3.632 5.736 ( 0.573 1.195 1.634) 2.104 5.814 ( 4.548 -2.271 -5.683) 7.625 5.872 ( -0.239 -3.706 2.033) 4.234 5.909 ( 3.351 -3.542 -1.603) 5.132 6.014 ( 2.730 1.995 -0.240) 3.390 6.145 ( 6.121 1.173 0.375) 6.244 6.179 ( 5.945 -3.173 -3.058) 7.400 6.282 ( 4.025 -3.195 2.078) 5.543 6.599 ( 4.629 0.241 -3.373) 5.732 6.640 ( 2.109 -2.885 1.555) 3.897 6.794 ( 0.988 -0.112 -0.167) 1.008 6.810 ( 5.063 0.535 2.485) 5.665 7.464 ( 4.051 5.762 -11.529) 13.511 7.642 ( 8.125 -1.319 -16.160) 18.136 12.027 ( -3.862 0.113 0.495) 3.895 12.049 ( -3.478 -0.602 0.155) 3.533 12.533 ( 2.074 1.285 1.169) 2.706 12.627 ( 3.120 -2.726 -1.408) 4.376 13.134 ( -6.633 2.533 1.251) 7.210 13.232 ( -7.362 -1.796 -0.422) 7.589 13.791 ( 5.492 4.011 -0.140) 6.802 13.957 ( 5.481 -3.526 -0.597) 6.545 16.803 ( -2.231 1.532 -0.617) 2.776 16.889 ( -3.834 -2.722 0.906) 4.788 16.971 ( -0.087 1.133 -1.502) 1.884 17.015 ( 1.122 -0.835 -0.996) 1.717 17.174 ( 3.206 1.660 1.557) 3.932 17.248 ( 0.622 -1.696 0.901) 2.019 17.732 ( -0.561 1.167 -0.240) 1.317 17.781 ( -0.276 -0.757 -0.504) 0.951 18.612 ( 1.880 3.288 -0.045) 3.788 18.684 ( 2.009 0.119 1.236) 2.362 18.792 ( -2.064 2.293 -1.569) 3.462 18.912 ( 0.892 -2.233 -0.197) 2.413 28.221 ( -1.722 1.119 -0.742) 2.183 28.278 ( -2.997 -1.753 0.393) 3.494 28.383 ( 1.873 1.531 4.430) 5.048 28.476 ( 0.671 -2.223 2.359) 3.310 29.945 ( 0.399 1.806 4.157) 4.550 30.096 ( 2.481 -4.835 1.693) 5.692 30.456 ( 0.911 -2.027 6.305) 6.686 30.558 ( 4.333 -4.047 -5.730) 8.245 32.066 ( -0.764 0.841 0.806) 1.393 32.125 ( -1.259 -1.440 0.702) 2.038 32.897 ( 1.225 4.508 -0.742) 4.730 33.099 ( 6.063 -4.363 1.747) 7.672 33.796 ( -6.567 12.175 -3.603) 14.295 34.194 ( -5.472 4.029 -2.703) 7.313 34.629 ( -9.231 1.239 -2.208) 9.572 35.057 ( -7.260 -9.220 -8.609) 14.555 ======================= Grid point 142 (76/104) ======================= q-point: (-0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -1.403 17.827 11.386) 21.199 1.549 ( 1.479 -1.861 6.135) 6.579 1.559 ( -9.064 14.096 13.597) 21.581 1.896 ( 2.873 3.117 -1.298) 4.433 2.140 ( -6.516 11.840 1.827) 13.638 2.312 ( 0.605 2.887 -2.239) 3.704 2.370 ( -6.323 -4.662 0.612) 7.880 2.439 ( -3.264 -0.867 -4.677) 5.769 2.760 ( -0.847 3.534 -5.388) 6.499 2.875 ( -1.112 -9.573 -3.118) 10.129 3.009 ( -0.704 -3.529 7.931) 8.709 3.141 ( -2.563 -8.561 -4.015) 9.797 3.269 ( -4.876 -0.357 -1.012) 4.993 3.387 ( 1.001 -1.411 5.270) 5.547 3.491 ( -0.026 0.174 -2.506) 2.513 3.598 ( -3.456 -2.302 -4.009) 5.772 3.828 ( 2.092 3.376 1.432) 4.222 3.962 ( 0.480 0.314 6.557) 6.583 4.101 ( 4.371 0.623 0.724) 4.474 4.153 ( 3.573 -1.248 5.575) 6.738 4.325 ( -1.202 9.336 10.761) 14.297 4.444 ( -3.590 2.749 1.087) 4.650 4.615 ( -0.854 0.949 2.249) 2.586 4.694 ( -0.582 -1.247 2.745) 3.071 4.825 ( -1.677 -0.202 1.524) 2.275 4.934 ( -2.537 -8.249 -2.180) 8.902 5.008 ( -3.713 -0.486 6.966) 7.909 5.093 ( 2.734 5.088 2.076) 6.138 5.197 ( -1.517 -4.647 8.992) 10.235 5.297 ( -5.201 2.876 1.071) 6.039 5.391 ( 1.342 -4.720 3.400) 5.970 5.489 ( -2.506 -2.168 -4.951) 5.958 5.556 ( -1.943 -0.133 5.226) 5.577 5.667 ( -1.091 -1.279 -1.024) 1.968 5.713 ( -0.957 4.103 -2.715) 5.012 5.851 ( 3.966 -2.193 -5.956) 7.485 5.900 ( 3.070 1.635 -0.099) 3.480 6.011 ( 6.011 -4.333 0.082) 7.410 6.070 ( 1.757 2.913 1.875) 3.885 6.239 ( 2.446 0.601 1.179) 2.781 6.286 ( 6.410 -3.409 -0.301) 7.266 6.358 ( 3.183 -3.253 1.552) 4.809 6.540 ( -3.780 -1.245 -4.655) 6.124 6.639 ( -1.015 -4.333 1.278) 4.631 6.884 ( 6.793 3.054 -2.323) 7.802 6.963 ( 5.762 -0.617 1.831) 6.078 7.405 ( 2.078 6.540 -14.538) 16.076 7.570 ( 0.762 0.474 -19.908) 19.928 11.972 ( -2.380 0.459 0.555) 2.487 11.994 ( -2.197 -0.325 -0.161) 2.226 12.572 ( 0.992 1.134 1.168) 1.906 12.660 ( 1.671 -2.559 -1.677) 3.486 13.044 ( -4.053 1.818 1.450) 4.673 13.116 ( -4.294 -1.369 -0.474) 4.532 13.883 ( 4.004 3.549 0.236) 5.355 14.021 ( 2.302 -2.896 -1.522) 4.001 16.778 ( -0.358 0.729 0.024) 0.812 16.827 ( -3.067 -1.642 0.384) 3.500 16.961 ( -0.079 1.056 -0.621) 1.227 17.023 ( 1.082 -1.413 -1.837) 2.558 17.246 ( 1.956 -0.347 1.782) 2.669 17.254 ( -0.344 -0.597 1.443) 1.599 17.726 ( 0.240 0.832 -0.293) 0.914 17.769 ( -0.396 -0.776 -0.835) 1.207 18.644 ( 1.393 2.168 -0.286) 2.593 18.702 ( -1.586 -0.171 -0.403) 1.645 18.768 ( 1.566 4.291 0.321) 4.579 18.913 ( -0.421 -1.934 -0.920) 2.183 28.195 ( -0.578 0.929 -0.408) 1.168 28.229 ( -2.237 -0.894 0.006) 2.409 28.461 ( 2.011 -0.826 4.471) 4.972 28.502 ( -0.032 -1.804 2.538) 3.114 29.985 ( -0.029 1.950 4.255) 4.680 30.145 ( 1.085 -4.596 1.102) 4.849 30.503 ( -3.154 -6.666 7.658) 10.631 30.609 ( 5.822 -6.421 -4.791) 9.903 32.066 ( -0.472 0.563 1.121) 1.340 32.110 ( -0.888 -1.234 2.210) 2.682 32.857 ( -3.966 6.267 -4.742) 8.803 33.129 ( -3.987 -5.922 -4.790) 8.597 33.743 ( 5.971 9.016 -3.173) 11.270 34.014 ( -5.627 -0.451 -4.320) 7.109 34.564 ( 5.334 11.226 -1.029) 12.471 34.874 ( -10.727 -0.743 2.310) 10.998 ======================= Grid point 143 (77/104) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 2.409 -8.252 8.776) 12.285 1.569 ( 2.409 8.252 8.776) 12.285 1.825 ( -4.560 -8.400 7.100) 11.907 1.825 ( -4.560 8.400 7.100) 11.907 2.184 ( 3.751 -8.213 -1.773) 9.201 2.184 ( 3.751 8.213 -1.773) 9.201 2.427 ( 3.700 -2.650 -10.547) 11.487 2.427 ( 3.700 2.650 -10.547) 11.487 2.742 ( 1.170 -4.189 -4.344) 6.147 2.742 ( 1.170 4.189 -4.344) 6.147 2.965 ( -5.752 -3.722 7.182) 9.926 2.965 ( -5.752 3.722 7.182) 9.926 3.262 ( -0.100 -9.161 -0.562) 9.178 3.262 ( -0.100 9.161 -0.562) 9.178 3.477 ( 0.882 -1.435 -4.924) 5.204 3.477 ( 0.882 1.435 -4.924) 5.204 3.981 ( -0.373 -1.997 7.339) 7.615 3.981 ( -0.373 1.997 7.339) 7.615 4.242 ( 4.722 -3.903 -0.619) 6.158 4.242 ( 4.722 3.903 -0.619) 6.158 4.522 ( -0.203 -3.090 7.319) 7.947 4.522 ( -0.203 3.090 7.319) 7.947 4.646 ( -0.299 -7.900 4.300) 9.000 4.646 ( -0.299 7.900 4.300) 9.000 4.764 ( -1.454 -1.994 -0.157) 2.473 4.764 ( -1.454 1.994 -0.157) 2.473 5.050 ( -4.233 -4.055 5.083) 7.759 5.050 ( -4.233 4.055 5.083) 7.759 5.263 ( -0.627 -1.071 1.982) 2.338 5.263 ( -0.627 1.071 1.982) 2.338 5.454 ( 1.256 -4.710 1.970) 5.258 5.454 ( 1.256 4.710 1.970) 5.258 5.591 ( 1.138 -1.387 2.432) 3.022 5.591 ( 1.138 1.387 2.432) 3.022 5.794 ( 1.947 -3.732 -3.400) 5.411 5.794 ( 1.947 3.732 -3.400) 5.411 6.028 ( 2.526 -3.083 -0.463) 4.012 6.028 ( 2.526 3.083 -0.463) 4.012 6.192 ( -1.452 -6.834 3.532) 7.829 6.192 ( -1.452 6.834 3.532) 7.829 6.306 ( -2.826 -2.636 2.595) 4.655 6.306 ( -2.826 2.636 2.595) 4.655 6.518 ( 0.329 -3.564 -4.080) 5.427 6.518 ( 0.329 3.564 -4.080) 5.427 6.987 ( -0.971 -2.079 -0.397) 2.328 6.987 ( -0.971 2.079 -0.397) 2.328 7.392 ( 1.727 -2.320 -19.165) 19.383 7.392 ( 1.727 2.320 -19.165) 19.383 11.966 ( 0.119 -0.596 0.074) 0.613 11.966 ( 0.119 0.596 0.074) 0.613 12.617 ( -0.227 -1.901 -0.198) 1.925 12.617 ( -0.227 1.901 -0.198) 1.925 13.047 ( 0.034 -1.480 0.421) 1.539 13.047 ( 0.034 1.480 0.421) 1.539 13.980 ( 0.076 -1.950 -0.624) 2.049 13.980 ( 0.076 1.950 -0.624) 2.049 16.782 ( -0.787 -0.369 1.034) 1.351 16.782 ( -0.787 0.369 1.034) 1.351 16.984 ( 0.744 -1.821 -2.070) 2.856 16.984 ( 0.744 1.821 -2.070) 2.856 17.264 ( 0.084 -0.508 1.387) 1.479 17.264 ( 0.084 0.508 1.387) 1.479 17.742 ( 0.020 -0.638 -0.668) 0.924 17.742 ( 0.020 0.638 -0.668) 0.924 18.676 ( -0.588 -0.804 0.235) 1.024 18.676 ( -0.588 0.804 0.235) 1.024 18.856 ( -0.009 -1.682 -0.361) 1.720 18.856 ( -0.009 1.682 -0.361) 1.720 28.196 ( -0.387 -0.079 0.113) 0.411 28.196 ( -0.387 0.079 0.113) 0.411 28.498 ( -0.013 -0.232 2.600) 2.611 28.498 ( -0.013 0.232 2.600) 2.611 30.063 ( -2.130 -3.384 4.547) 6.055 30.063 ( -2.130 3.384 4.547) 6.055 30.514 ( 1.816 -6.981 -1.921) 7.465 30.514 ( 1.816 6.981 -1.921) 7.465 32.103 ( 0.655 -1.245 2.356) 2.744 32.103 ( 0.655 1.245 2.356) 2.744 32.828 ( -4.882 -4.036 -6.182) 8.850 32.828 ( -4.882 4.036 -6.182) 8.850 33.948 ( -0.595 -3.161 0.534) 3.260 33.948 ( -0.595 3.161 0.534) 3.260 34.820 ( 6.993 -3.434 -0.888) 7.841 34.820 ( 6.993 3.434 -0.888) 7.841 ======================= Grid point 145 (78/104) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 4.630 -2.928 4.555) 7.125 1.700 ( 4.630 2.928 4.555) 7.125 1.785 ( -2.431 -6.612 3.358) 7.804 1.785 ( -2.431 6.612 3.358) 7.804 2.219 ( 0.473 -11.175 0.283) 11.189 2.219 ( 0.473 11.175 0.283) 11.189 2.492 ( 9.936 -4.657 -9.914) 14.788 2.492 ( 9.936 4.657 -9.914) 14.788 2.691 ( -1.412 -6.144 -4.980) 8.034 2.691 ( -1.412 6.144 -4.980) 8.034 3.016 ( 1.757 -3.771 12.200) 12.890 3.016 ( 1.757 3.771 12.200) 12.890 3.268 ( 2.987 -9.781 -2.685) 10.574 3.268 ( 2.987 9.781 -2.685) 10.574 3.502 ( 4.348 -1.222 -2.473) 5.149 3.502 ( 4.348 1.222 -2.473) 5.149 3.982 ( -2.954 -3.196 2.186) 4.870 3.982 ( -2.954 3.196 2.186) 4.870 4.284 ( -0.495 -4.967 -1.559) 5.229 4.284 ( -0.495 4.967 -1.559) 5.229 4.604 ( 0.748 -4.664 8.332) 9.578 4.604 ( 0.748 4.664 8.332) 9.578 4.652 ( 1.008 -5.794 -0.791) 5.934 4.652 ( 1.008 5.794 -0.791) 5.934 4.768 ( 1.470 -1.711 -1.154) 2.533 4.768 ( 1.470 1.711 -1.154) 2.533 5.066 ( 2.413 -4.754 6.441) 8.361 5.066 ( 2.413 4.754 6.441) 8.361 5.281 ( 0.449 -1.114 2.711) 2.965 5.281 ( 0.449 1.114 2.711) 2.965 5.482 ( -0.006 -5.397 3.745) 6.569 5.482 ( -0.006 5.397 3.745) 6.569 5.599 ( -1.557 -4.514 -2.584) 5.429 5.599 ( -1.557 4.514 -2.584) 5.429 5.800 ( 1.009 -4.188 -3.465) 5.528 5.800 ( 1.009 4.188 -3.465) 5.528 5.988 ( -4.884 -2.593 -1.478) 5.724 5.988 ( -4.884 2.593 -1.478) 5.724 6.213 ( -1.957 -3.565 2.583) 4.818 6.213 ( -1.957 3.565 2.583) 4.818 6.261 ( -3.484 -2.040 5.422) 6.760 6.261 ( -3.484 2.040 5.422) 6.760 6.468 ( -1.717 -6.483 -3.527) 7.577 6.468 ( -1.717 6.483 -3.527) 7.577 6.898 ( -7.529 -3.902 -0.715) 8.510 6.898 ( -7.529 3.902 -0.715) 8.510 7.309 ( 3.929 -3.411 -13.119) 14.113 7.309 ( 3.929 3.411 -13.119) 14.113 11.990 ( 2.353 -0.905 -0.006) 2.522 11.990 ( 2.353 0.905 -0.006) 2.522 12.596 ( -1.839 -1.395 0.011) 2.308 12.596 ( -1.839 1.395 0.011) 2.308 13.090 ( 4.147 -1.135 0.241) 4.306 13.090 ( 4.147 1.135 0.241) 4.306 13.951 ( -2.698 -0.156 -0.406) 2.733 13.951 ( -2.698 0.156 -0.406) 2.733 16.782 ( 0.022 -0.964 0.930) 1.340 16.782 ( 0.022 0.964 0.930) 1.340 16.992 ( 1.698 -1.623 -1.477) 2.774 16.992 ( 1.698 1.623 -1.477) 2.774 17.271 ( -0.421 -0.598 0.739) 1.040 17.271 ( -0.421 0.598 0.739) 1.040 17.736 ( -0.076 -0.586 -0.442) 0.738 17.736 ( -0.076 0.586 -0.442) 0.738 18.668 ( -0.792 -1.912 0.693) 2.182 18.668 ( -0.792 1.912 0.693) 2.182 18.849 ( -0.268 -0.951 -0.292) 1.030 18.849 ( -0.268 0.951 -0.292) 1.030 28.200 ( 0.601 -0.743 0.229) 0.982 28.200 ( 0.601 0.743 0.229) 0.982 28.510 ( -0.711 -0.559 1.711) 1.936 28.510 ( -0.711 0.559 1.711) 1.936 30.045 ( -3.414 -2.196 4.159) 5.811 30.045 ( -3.414 2.196 4.159) 5.811 30.529 ( 1.300 -10.237 -2.205) 10.552 30.529 ( 1.300 10.237 -2.205) 10.552 32.127 ( -0.029 -1.703 0.815) 1.888 32.127 ( -0.029 1.703 0.815) 1.888 32.791 ( 3.792 -3.877 0.271) 5.430 32.791 ( 3.792 3.877 0.271) 5.430 33.848 ( -8.539 -7.414 -0.170) 11.309 33.848 ( -8.539 7.414 -0.170) 11.309 35.002 ( 13.317 -14.445 -5.395) 20.375 35.002 ( 13.317 14.445 -5.395) 20.375 ======================= Grid point 147 (79/104) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 2.068 -8.109 -3.802) 9.191 1.764 ( 2.068 8.109 -3.802) 9.191 1.799 ( 0.820 -12.855 1.258) 12.942 1.799 ( 0.820 12.855 1.258) 12.942 2.287 ( 4.317 -12.958 7.999) 15.828 2.287 ( 4.317 12.958 7.999) 15.828 2.531 ( 2.241 -9.805 -6.932) 12.216 2.531 ( 2.241 9.805 -6.932) 12.216 2.713 ( 8.184 -5.731 -5.805) 11.555 2.713 ( 8.184 5.731 -5.805) 11.555 3.064 ( -5.745 -8.727 6.109) 12.103 3.064 ( -5.745 8.727 6.109) 12.103 3.374 ( 4.669 -3.123 2.922) 6.331 3.374 ( 4.669 3.123 2.922) 6.331 3.571 ( 5.696 -3.119 -2.627) 7.005 3.571 ( 5.696 3.119 -2.627) 7.005 3.956 ( 1.161 -0.906 -2.175) 2.627 3.956 ( 1.161 0.906 -2.175) 2.627 4.204 ( -4.640 -3.155 -1.830) 5.902 4.204 ( -4.640 3.155 -1.830) 5.902 4.575 ( -2.434 -1.726 -1.683) 3.426 4.575 ( -2.434 1.726 -1.683) 3.426 4.766 ( 1.290 -2.114 -2.479) 3.505 4.766 ( 1.290 2.114 -2.479) 3.505 4.811 ( 8.210 -8.981 4.974) 13.146 4.811 ( 8.210 8.981 4.974) 13.146 5.201 ( 3.663 -3.437 4.464) 6.720 5.201 ( 3.663 3.437 4.464) 6.720 5.316 ( 0.701 -3.593 3.136) 4.821 5.316 ( 0.701 3.593 3.136) 4.821 5.450 ( -5.553 -4.424 -5.135) 8.762 5.450 ( -5.553 4.424 -5.135) 8.762 5.558 ( 0.904 -4.043 4.441) 6.073 5.558 ( 0.904 4.043 4.441) 6.073 5.799 ( 0.549 -1.536 -1.002) 1.914 5.799 ( 0.549 1.536 -1.002) 1.914 5.898 ( -1.963 -1.922 -0.320) 2.765 5.898 ( -1.963 1.922 -0.320) 2.765 6.101 ( -6.545 -4.352 -3.299) 8.524 6.101 ( -6.545 4.352 -3.299) 8.524 6.210 ( -7.447 -4.677 2.769) 9.219 6.210 ( -7.447 4.677 2.769) 9.219 6.460 ( -1.217 -11.045 2.043) 11.298 6.460 ( -1.217 11.045 2.043) 11.298 6.750 ( -5.709 -4.809 0.722) 7.499 6.750 ( -5.709 4.809 0.722) 7.499 7.298 ( 2.843 -2.367 -6.098) 7.133 7.298 ( 2.843 2.367 -6.098) 7.133 12.048 ( 3.666 -1.284 -0.082) 3.885 12.048 ( 3.666 1.284 -0.082) 3.885 12.553 ( -2.876 -1.004 0.301) 3.061 12.553 ( -2.876 1.004 0.301) 3.061 13.195 ( 6.705 -0.775 0.137) 6.751 13.195 ( 6.705 0.775 0.137) 6.751 13.877 ( -4.759 -1.730 -0.345) 5.076 13.877 ( -4.759 1.730 -0.345) 5.076 16.803 ( 1.473 -1.613 0.952) 2.382 16.803 ( 1.473 1.613 0.952) 2.382 17.017 ( 1.959 -1.096 -1.202) 2.546 17.017 ( 1.959 1.096 -1.202) 2.546 17.253 ( -1.753 -0.755 -0.358) 1.942 17.253 ( -1.753 0.755 -0.358) 1.942 17.738 ( 0.581 -0.918 0.062) 1.088 17.738 ( 0.581 0.918 0.062) 1.088 18.653 ( -1.574 -2.588 0.931) 3.169 18.653 ( -1.574 2.588 0.931) 3.169 18.845 ( 0.131 -2.219 -0.274) 2.240 18.845 ( 0.131 2.219 -0.274) 2.240 28.221 ( 1.397 -1.669 0.381) 2.209 28.221 ( 1.397 1.669 0.381) 2.209 28.499 ( -1.570 -0.909 0.723) 1.953 28.499 ( -1.570 0.909 0.723) 1.953 30.011 ( -3.629 -2.088 3.525) 5.473 30.011 ( -3.629 2.088 3.525) 5.473 30.516 ( -0.507 -10.322 -2.500) 10.633 30.516 ( -0.507 10.322 -2.500) 10.633 32.120 ( -0.563 -2.189 -0.266) 2.276 32.120 ( -0.563 2.189 -0.266) 2.276 32.910 ( 4.364 -6.281 3.468) 8.398 32.910 ( 4.364 6.281 3.468) 8.398 33.729 ( -2.714 -9.854 3.165) 10.699 33.729 ( -2.714 9.854 3.165) 10.699 35.166 ( 10.459 -20.216 -10.117) 24.908 35.166 ( 10.459 20.216 -10.117) 24.908 ======================= Grid point 149 (80/104) ======================= q-point: ( 0.38 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -0.652 -6.078 -6.806) 9.149 1.708 ( -0.652 6.078 -6.806) 9.149 1.892 ( 4.951 -5.516 4.857) 8.862 1.892 ( 4.951 5.516 4.857) 8.862 2.438 ( 2.839 -7.408 5.072) 9.416 2.438 ( 2.839 7.408 5.072) 9.416 2.524 ( 2.683 -3.257 -4.951) 6.506 2.524 ( 2.683 3.257 -4.951) 6.506 2.805 ( 3.415 -4.388 -1.504) 5.759 2.805 ( 3.415 4.388 -1.503) 5.759 2.992 ( -2.500 -8.250 1.161) 8.699 2.992 ( -2.500 8.250 1.161) 8.699 3.350 ( -6.044 -2.256 -0.099) 6.452 3.350 ( -6.044 2.256 -0.099) 6.452 3.666 ( 4.369 -6.741 -2.299) 8.355 3.666 ( 4.369 6.741 -2.299) 8.355 3.996 ( 2.944 -4.558 -1.819) 5.723 3.996 ( 2.944 4.558 -1.819) 5.723 4.126 ( -1.335 -2.444 -1.290) 3.069 4.126 ( -1.335 2.444 -1.290) 3.069 4.499 ( -4.255 -3.331 -3.405) 6.387 4.499 ( -4.255 3.331 -3.405) 6.387 4.795 ( 3.503 -3.536 -0.835) 5.047 4.795 ( 3.503 3.536 -0.835) 5.047 4.991 ( 7.446 -7.321 2.147) 10.661 4.991 ( 7.446 7.321 2.147) 10.661 5.192 ( -3.417 -6.410 -5.368) 9.032 5.192 ( -3.417 6.410 -5.368) 9.032 5.250 ( -4.112 -7.242 -1.494) 8.461 5.250 ( -4.112 7.242 -1.494) 8.461 5.459 ( 4.142 -0.600 4.843) 6.400 5.459 ( 4.142 0.600 4.843) 6.400 5.617 ( -2.307 -2.034 4.573) 5.511 5.617 ( -2.307 2.034 4.573) 5.511 5.752 ( -3.463 -5.103 1.705) 6.399 5.752 ( -3.463 5.103 1.705) 6.399 5.922 ( -0.392 -0.836 2.354) 2.529 5.922 ( -0.392 0.836 2.354) 2.529 6.022 ( 5.983 -8.668 -7.225) 12.773 6.022 ( 5.983 8.668 -7.225) 12.773 6.097 ( -6.088 -2.299 3.359) 7.323 6.097 ( -6.088 2.299 3.359) 7.323 6.343 ( -10.389 -5.482 0.189) 11.749 6.343 ( -10.389 5.482 0.189) 11.749 6.760 ( 1.839 -5.553 5.552) 8.064 6.760 ( 1.839 5.553 5.552) 8.064 7.311 ( 3.246 -3.075 -3.445) 5.644 7.311 ( 3.246 3.075 -3.445) 5.644 12.112 ( 2.989 -1.341 -0.199) 3.282 12.112 ( 2.989 1.341 -0.199) 3.282 12.503 ( -2.445 -1.040 0.572) 2.718 12.503 ( -2.445 1.040 0.572) 2.718 13.325 ( 6.475 -1.202 0.286) 6.592 13.325 ( 6.475 1.202 0.286) 6.592 13.776 ( -5.268 -2.564 -0.661) 5.896 13.776 ( -5.268 2.564 -0.661) 5.896 16.852 ( 2.453 -1.964 1.572) 3.514 16.852 ( 2.453 1.964 1.572) 3.514 17.037 ( 1.325 -0.887 -1.852) 2.444 17.037 ( 1.325 0.887 -1.852) 2.444 17.202 ( -2.733 -1.811 -1.090) 3.455 17.202 ( -2.733 1.811 -1.090) 3.455 17.754 ( 0.778 -0.631 0.363) 1.065 17.754 ( 0.778 0.631 0.363) 1.065 18.628 ( -1.613 -2.005 0.787) 2.691 18.628 ( -1.613 2.005 0.787) 2.691 18.850 ( 0.453 -1.826 -0.175) 1.889 18.850 ( 0.453 1.826 -0.175) 1.889 28.255 ( 1.643 -2.521 0.741) 3.099 28.255 ( 1.643 2.521 0.741) 3.099 28.463 ( -2.460 -1.251 -0.261) 2.772 28.463 ( -2.460 1.251 -0.261) 2.772 29.973 ( -3.112 -2.610 2.915) 4.999 29.973 ( -3.112 2.610 2.915) 4.999 30.480 ( -0.738 -7.886 -2.497) 8.305 30.480 ( -0.738 7.886 -2.497) 8.305 32.110 ( -0.276 -1.458 -0.105) 1.488 32.110 ( -0.276 1.458 -0.105) 1.488 32.942 ( -1.676 -5.012 -0.134) 5.287 32.942 ( -1.676 5.012 -0.134) 5.287 33.843 ( 6.291 -11.588 12.359) 18.073 33.843 ( 6.291 11.588 12.359) 18.073 35.211 ( 5.208 -22.400 -14.453) 27.162 35.211 ( 5.208 22.400 -14.453) 27.162 ======================= Grid point 151 (81/104) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -4.134 -5.961 -2.703) 7.741 1.634 ( -4.134 5.961 -2.703) 7.741 2.031 ( 5.048 -9.469 3.780) 11.377 2.031 ( 5.048 9.469 3.780) 11.377 2.430 ( -4.902 -8.793 -2.127) 10.289 2.430 ( -4.902 8.793 -2.127) 10.289 2.516 ( 0.708 -2.227 -2.349) 3.314 2.516 ( 0.708 2.227 -2.349) 3.314 2.834 ( -0.308 -6.559 4.595) 8.014 2.834 ( -0.308 6.559 4.595) 8.014 3.012 ( 4.197 -5.864 -3.561) 8.042 3.012 ( 4.197 5.864 -3.561) 8.042 3.270 ( -1.121 -1.824 0.120) 2.144 3.270 ( -1.121 1.824 0.120) 2.144 3.671 ( -1.961 -3.801 -1.919) 4.688 3.671 ( -1.961 3.801 -1.919) 4.688 3.959 ( -3.552 -4.437 -0.187) 5.687 3.959 ( -3.552 4.437 -0.187) 5.687 4.154 ( 3.165 -1.335 -2.327) 4.149 4.154 ( 3.165 1.335 -2.327) 4.149 4.370 ( -6.029 -4.766 -1.379) 7.808 4.370 ( -6.029 4.766 -1.379) 7.808 4.818 ( -1.293 -4.148 -1.750) 4.684 4.818 ( -1.293 4.148 -1.750) 4.684 5.092 ( -1.317 -1.127 0.272) 1.755 5.092 ( -1.317 1.127 0.272) 1.755 5.133 ( 3.626 -7.173 -2.965) 8.567 5.133 ( 3.626 7.173 -2.965) 8.567 5.178 ( -3.756 -5.504 -0.310) 6.671 5.178 ( -3.756 5.504 -0.309) 6.671 5.540 ( -3.293 -2.254 3.819) 5.523 5.540 ( -3.293 2.254 3.819) 5.523 5.578 ( 3.066 -5.393 3.774) 7.261 5.578 ( 3.066 5.393 3.774) 7.261 5.740 ( -0.329 -8.131 0.609) 8.160 5.740 ( -0.329 8.131 0.609) 8.160 5.926 ( -1.604 -1.929 0.471) 2.553 5.926 ( -1.604 1.929 0.471) 2.553 6.018 ( -1.720 -2.665 1.408) 3.470 6.018 ( -1.720 2.665 1.408) 3.470 6.138 ( -2.971 -1.530 -0.087) 3.343 6.138 ( -2.971 1.530 -0.087) 3.343 6.213 ( 7.884 -5.470 -2.151) 9.834 6.213 ( 7.884 5.470 -2.151) 9.834 6.832 ( -0.665 -2.466 6.474) 6.959 6.832 ( -0.665 2.466 6.474) 6.959 7.377 ( 7.890 -2.687 -5.150) 9.798 7.377 ( 7.890 2.687 -5.150) 9.798 12.138 ( -0.396 -0.789 -0.121) 0.891 12.138 ( -0.396 0.789 -0.121) 0.891 12.486 ( 0.356 -1.690 0.517) 1.803 12.486 ( 0.356 1.690 0.517) 1.803 13.401 ( -0.185 -1.854 0.581) 1.952 13.401 ( -0.185 1.854 0.581) 1.952 13.706 ( 0.026 -1.507 -0.951) 1.783 13.706 ( 0.026 1.507 -0.951) 1.783 16.906 ( 1.082 -1.277 2.308) 2.851 16.906 ( 1.082 1.277 2.308) 2.851 17.025 ( -0.656 -1.362 -2.772) 3.158 17.025 ( -0.656 1.362 -2.772) 3.158 17.156 ( -0.588 -1.126 -0.892) 1.552 17.156 ( -0.588 1.126 -0.892) 1.552 17.767 ( 0.261 -0.450 0.257) 0.580 17.767 ( 0.261 0.450 0.257) 0.580 18.616 ( -0.195 -0.712 0.661) 0.990 18.616 ( -0.195 0.712 0.661) 0.990 18.856 ( 0.275 -0.575 -0.181) 0.663 18.856 ( 0.275 0.575 -0.181) 0.663 28.289 ( 0.777 -2.570 1.345) 3.003 28.289 ( 0.777 2.570 1.345) 3.003 28.411 ( -2.284 -1.285 -0.681) 2.708 28.411 ( -2.284 1.285 -0.681) 2.708 29.951 ( -1.610 -3.004 2.757) 4.384 29.951 ( -1.610 3.004 2.757) 4.384 30.457 ( 0.490 -5.506 -2.238) 5.964 30.457 ( 0.490 5.506 -2.238) 5.964 32.107 ( -0.151 -0.912 0.084) 0.928 32.107 ( -0.151 0.912 0.084) 0.928 32.905 ( -0.730 -2.925 -0.969) 3.167 32.905 ( -0.730 2.925 -0.969) 3.167 34.073 ( 3.576 -12.155 16.194) 20.561 34.073 ( 3.576 12.155 16.194) 20.561 35.124 ( 0.126 -21.354 -17.619) 27.684 35.124 ( 0.126 21.354 -17.619) 27.684 ======================= Grid point 153 (82/104) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -8.619 -9.395 0.197) 12.751 1.495 ( -8.619 9.395 0.197) 12.751 2.068 ( -4.916 -10.922 1.261) 12.044 2.068 ( -4.916 10.922 1.261) 12.044 2.297 ( -4.196 -9.484 -2.676) 10.710 2.297 ( -4.196 9.484 -2.676) 10.710 2.567 ( 4.504 -7.939 1.606) 9.268 2.567 ( 4.504 7.939 1.606) 9.268 2.866 ( -0.114 -5.199 4.003) 6.563 2.866 ( -0.114 5.199 4.003) 6.563 3.038 ( 1.415 -4.545 -7.470) 8.858 3.038 ( 1.415 4.545 -7.470) 8.858 3.318 ( 5.776 -3.262 1.834) 6.882 3.318 ( 5.776 3.262 1.834) 6.882 3.551 ( -8.903 -5.402 0.098) 10.414 3.551 ( -8.903 5.402 0.098) 10.414 3.949 ( 1.017 -4.784 2.750) 5.611 3.949 ( 1.017 4.784 2.750) 5.611 4.113 ( -4.319 -2.062 -4.661) 6.680 4.113 ( -4.319 2.062 -4.661) 6.680 4.332 ( 0.314 -3.843 5.427) 6.657 4.332 ( 0.314 3.843 5.427) 6.657 4.742 ( -4.751 -3.816 -0.367) 6.105 4.742 ( -4.751 3.816 -0.367) 6.105 4.986 ( -9.190 -4.113 0.173) 10.070 4.986 ( -9.190 4.113 0.173) 10.070 5.066 ( -3.976 -2.871 2.096) 5.334 5.066 ( -3.976 2.871 2.096) 5.334 5.220 ( 3.849 -5.303 -2.493) 7.011 5.220 ( 3.849 5.303 -2.493) 7.011 5.574 ( 1.456 -5.211 3.565) 6.479 5.574 ( 1.456 5.211 3.565) 6.479 5.635 ( -1.050 -2.897 2.568) 4.011 5.635 ( -1.050 2.897 2.568) 4.011 5.763 ( 0.010 -2.585 3.172) 4.092 5.763 ( 0.010 2.585 3.172) 4.092 5.831 ( -2.257 -4.114 -4.624) 6.588 5.831 ( -2.257 4.114 -4.624) 6.588 6.037 ( 1.679 -2.085 -0.325) 2.697 6.037 ( 1.679 2.085 -0.325) 2.697 6.118 ( 2.968 -1.988 0.627) 3.627 6.118 ( 2.968 1.988 0.627) 3.627 6.433 ( 13.634 -1.863 -1.398) 13.831 6.433 ( 13.634 1.863 -1.398) 13.831 6.824 ( -4.198 -0.085 3.515) 5.476 6.824 ( -4.198 0.085 3.515) 5.476 7.500 ( 10.422 -3.022 -8.827) 13.989 7.500 ( 10.422 3.022 -8.827) 13.989 12.100 ( -3.276 -0.470 0.181) 3.315 12.100 ( -3.276 0.470 0.181) 3.315 12.521 ( 2.663 -2.306 0.112) 3.525 12.521 ( 2.663 2.306 0.112) 3.525 13.323 ( -7.113 -2.945 0.347) 7.706 13.323 ( -7.113 2.945 0.347) 7.706 13.768 ( 5.852 -3.517 -0.456) 6.843 13.768 ( 5.852 3.517 -0.456) 6.843 16.901 ( -3.375 -1.686 1.254) 3.976 16.901 ( -3.375 1.686 1.254) 3.976 16.996 ( 0.481 -0.955 -2.024) 2.289 16.996 ( 0.481 0.955 -2.024) 2.289 17.169 ( 1.876 -1.931 0.107) 2.694 17.169 ( 1.876 1.931 0.107) 2.694 17.768 ( -0.244 -1.013 -0.065) 1.044 17.768 ( -0.244 1.013 -0.065) 1.044 18.633 ( 1.323 -1.170 0.658) 1.884 18.633 ( 1.323 1.170 0.658) 1.884 18.855 ( -0.008 -1.427 -0.377) 1.476 18.855 ( -0.008 1.427 -0.377) 1.476 28.287 ( -2.031 -1.294 0.648) 2.494 28.287 ( -2.031 1.294 0.648) 2.494 28.392 ( 0.399 -2.353 1.119) 2.636 28.392 ( 0.399 2.353 1.119) 2.636 29.962 ( 0.083 -3.331 3.219) 4.633 29.962 ( 0.083 3.331 3.219) 4.633 30.460 ( 1.642 -4.017 -1.999) 4.778 30.460 ( 1.642 4.017 -1.999) 4.778 32.103 ( -0.424 -1.362 0.147) 1.434 32.103 ( -0.424 1.362 0.147) 1.434 32.920 ( 2.712 -2.037 0.459) 3.423 32.920 ( 2.712 2.037 0.459) 3.423 34.184 ( -4.894 -11.459 10.339) 16.192 34.184 ( -4.894 11.459 10.339) 16.192 34.952 ( -2.668 -16.341 -14.932) 22.296 34.952 ( -2.668 16.341 -14.932) 22.296 ======================= Grid point 155 (83/104) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -3.890 -10.933 5.822) 12.983 1.388 ( -3.890 10.933 5.822) 12.983 1.926 ( -9.067 -6.622 1.928) 11.392 1.926 ( -9.067 6.622 1.928) 11.392 2.239 ( -1.753 -3.835 -1.009) 4.336 2.239 ( -1.753 3.835 -1.009) 4.336 2.634 ( 0.068 -11.250 -0.233) 11.252 2.634 ( 0.068 11.250 -0.233) 11.252 2.847 ( -2.999 -10.076 -7.737) 13.053 2.847 ( -2.999 10.076 -7.737) 13.053 2.987 ( 0.633 -7.390 -0.070) 7.418 2.987 ( 0.633 7.390 -0.070) 7.418 3.359 ( -6.426 -2.816 3.944) 8.049 3.359 ( -6.426 2.816 3.944) 8.049 3.525 ( 5.988 -4.282 1.952) 7.616 3.525 ( 5.988 4.282 1.952) 7.616 3.925 ( -5.340 -2.553 -1.091) 6.019 3.925 ( -5.340 2.553 -1.091) 6.019 4.045 ( 0.607 -3.470 2.266) 4.189 4.045 ( 0.607 3.470 2.266) 4.189 4.420 ( 2.602 -6.397 7.349) 10.085 4.420 ( 2.602 6.397 7.349) 10.085 4.657 ( -4.095 -4.169 0.553) 5.870 4.657 ( -4.095 4.169 0.553) 5.870 4.862 ( -5.409 -3.129 3.904) 7.368 4.862 ( -5.409 3.129 3.904) 7.368 5.042 ( -2.287 -0.939 6.568) 7.018 5.042 ( -2.287 0.939 6.568) 7.018 5.239 ( 0.844 -5.882 -2.904) 6.614 5.239 ( 0.844 5.882 -2.904) 6.614 5.501 ( -7.861 -4.031 1.221) 8.919 5.501 ( -7.861 4.031 1.221) 8.919 5.664 ( -1.078 -5.813 1.762) 6.169 5.664 ( -1.078 5.813 1.762) 6.169 5.770 ( 3.858 -3.541 -2.563) 5.830 5.770 ( 3.858 3.541 -2.563) 5.830 5.844 ( 2.177 -3.381 0.505) 4.053 5.844 ( 2.177 3.381 0.505) 4.053 6.080 ( 3.949 -3.916 -0.950) 5.642 6.080 ( 3.949 3.916 -0.950) 5.642 6.214 ( 5.505 -3.082 0.580) 6.335 6.214 ( 5.505 3.082 0.580) 6.335 6.611 ( 3.349 -0.827 -2.420) 4.213 6.611 ( 3.349 0.827 -2.420) 4.213 6.806 ( 3.951 -0.793 0.841) 4.117 6.806 ( 3.951 0.793 0.841) 4.117 7.575 ( 6.940 -4.780 -13.825) 16.191 7.575 ( 6.940 4.780 -13.825) 16.191 12.036 ( -3.521 -0.632 0.313) 3.591 12.036 ( -3.521 0.632 0.313) 3.591 12.572 ( 2.622 -2.455 -0.224) 3.599 12.572 ( 2.622 2.455 -0.224) 3.599 13.187 ( -7.131 -2.508 0.398) 7.569 13.187 ( -7.131 2.508 0.398) 7.569 13.876 ( 5.544 -4.179 -0.324) 6.950 13.876 ( 5.544 4.179 -0.324) 6.950 16.840 ( -3.204 -2.096 0.360) 3.846 16.840 ( -3.204 2.096 0.360) 3.846 16.995 ( 0.575 -1.135 -1.370) 1.869 16.995 ( 0.575 1.135 -1.370) 1.869 17.211 ( 1.720 -1.859 1.093) 2.759 17.211 ( 1.720 1.859 1.093) 2.759 17.759 ( -0.443 -1.338 -0.517) 1.501 17.759 ( -0.443 1.338 -0.517) 1.501 18.666 ( 1.351 -1.865 0.532) 2.364 18.666 ( 1.351 1.865 0.532) 2.364 18.852 ( 0.166 -3.329 -0.550) 3.378 18.852 ( 0.166 3.329 -0.550) 3.378 28.246 ( -2.237 -1.366 0.034) 2.621 28.246 ( -2.237 1.366 0.034) 2.621 28.426 ( 1.002 -2.479 2.905) 3.948 28.426 ( 1.002 2.479 2.905) 3.948 30.002 ( 0.762 -3.790 3.958) 5.533 30.002 ( 0.762 3.790 3.958) 5.533 30.480 ( 1.930 -3.185 -1.731) 4.107 30.480 ( 1.930 3.185 -1.731) 4.107 32.092 ( -0.960 -1.591 0.561) 1.941 32.092 ( -0.960 1.591 0.561) 1.941 32.999 ( 4.049 -5.139 0.749) 6.586 32.999 ( 4.049 5.139 0.749) 6.586 34.052 ( -10.027 -12.147 -3.455) 16.126 34.052 ( -10.027 12.147 -3.455) 16.126 34.827 ( -2.613 -12.634 -3.181) 13.288 34.827 ( -2.613 12.634 -3.181) 13.288 ======================= Grid point 157 (84/104) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 1.966 -8.546 10.081) 13.361 1.452 ( 1.966 8.546 10.081) 13.361 1.827 ( -4.062 -10.549 5.558) 12.597 1.827 ( -4.062 10.549 5.558) 12.597 2.190 ( -2.540 -4.781 -0.764) 5.467 2.190 ( -2.540 4.781 -0.764) 5.467 2.530 ( -5.451 -5.231 -7.325) 10.523 2.530 ( -5.451 5.231 -7.325) 10.523 2.756 ( 2.619 -2.129 -9.639) 10.212 2.756 ( 2.619 2.129 -9.639) 10.212 3.008 ( -3.072 -3.979 6.157) 7.949 3.008 ( -3.072 3.979 6.157) 7.949 3.291 ( -4.603 -4.065 4.236) 7.461 3.291 ( -4.603 4.065 4.236) 7.461 3.545 ( -1.795 -3.126 -5.849) 6.870 3.545 ( -1.795 3.126 -5.849) 6.870 3.905 ( 1.314 -4.339 5.406) 7.055 3.905 ( 1.314 4.339 5.406) 7.055 4.124 ( 5.438 -1.421 3.033) 6.387 4.124 ( 5.438 1.421 3.033) 6.387 4.498 ( -1.506 -4.194 6.554) 7.926 4.498 ( -1.506 4.194 6.554) 7.926 4.618 ( -0.859 -7.971 2.392) 8.366 4.618 ( -0.859 7.971 2.392) 8.366 4.812 ( -3.621 -1.734 1.755) 4.382 4.812 ( -3.621 1.734 1.755) 4.382 5.068 ( -3.325 -4.985 9.335) 11.093 5.068 ( -3.325 4.985 9.335) 11.093 5.246 ( 1.294 -6.482 1.401) 6.757 5.246 ( 1.294 6.482 1.401) 6.757 5.412 ( -1.439 -4.359 1.061) 4.711 5.412 ( -1.439 4.359 1.061) 4.711 5.608 ( -3.772 -3.903 0.276) 5.435 5.608 ( -3.772 3.903 0.276) 5.435 5.800 ( 1.346 -3.425 -3.950) 5.399 5.800 ( 1.346 3.425 -3.950) 5.399 5.935 ( 6.196 -2.537 0.930) 6.759 5.935 ( 6.196 2.537 0.930) 6.759 6.156 ( 3.185 -5.250 1.481) 6.317 6.156 ( 3.185 5.250 1.481) 6.317 6.300 ( 2.171 -2.263 1.405) 3.436 6.300 ( 2.171 2.263 1.405) 3.436 6.562 ( -2.166 -2.873 -3.676) 5.144 6.562 ( -2.166 2.873 -3.676) 5.144 6.937 ( 6.574 -1.984 -0.790) 6.912 6.937 ( 6.574 1.984 -0.790) 6.912 7.523 ( 2.201 -4.545 -18.199) 18.886 7.523 ( 2.201 4.545 -18.199) 18.886 11.984 ( -2.106 -0.626 0.222) 2.209 11.984 ( -2.106 0.626 0.222) 2.209 12.608 ( 1.399 -2.285 -0.317) 2.698 12.608 ( 1.399 2.285 -0.317) 2.698 13.083 ( -4.221 -1.848 0.510) 4.636 13.083 ( -4.221 1.848 0.510) 4.636 13.955 ( 3.145 -3.457 -0.564) 4.707 13.955 ( 3.145 3.457 -0.564) 4.707 16.798 ( -1.753 -1.216 0.606) 2.218 16.798 ( -1.753 1.216 0.606) 2.218 16.991 ( 0.409 -1.632 -1.758) 2.433 16.991 ( 0.409 1.632 -1.758) 2.433 17.245 ( 0.723 -0.251 1.491) 1.676 17.245 ( 0.723 0.251 1.491) 1.676 17.747 ( -0.090 -1.173 -0.752) 1.397 17.747 ( -0.090 1.173 -0.752) 1.397 18.682 ( 0.001 -1.511 0.183) 1.522 18.682 ( 0.001 1.511 0.183) 1.522 18.854 ( 0.465 -3.717 -0.490) 3.778 18.854 ( 0.465 3.717 -0.490) 3.778 28.212 ( -1.362 -0.795 0.018) 1.577 28.212 ( -1.362 0.795 0.018) 1.577 28.468 ( 0.611 -1.295 3.217) 3.521 28.468 ( 0.611 1.295 3.217) 3.521 30.045 ( -0.137 -4.084 4.466) 6.053 30.045 ( -0.137 4.084 4.466) 6.053 30.498 ( 1.538 -3.847 -1.649) 4.460 30.498 ( 1.538 3.847 -1.649) 4.460 32.084 ( -0.604 -1.149 1.673) 2.118 32.084 ( -0.604 1.149 1.673) 2.118 32.994 ( -4.367 -6.892 -5.049) 9.595 32.994 ( -4.367 6.892 -5.049) 9.595 33.913 ( 0.825 -7.395 -2.867) 7.974 33.913 ( 0.825 7.395 -2.867) 7.974 34.780 ( -1.761 -8.193 1.472) 8.508 34.780 ( -1.761 8.193 1.472) 8.508 ======================= Grid point 175 (85/104) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -13.394 0.000 -4.042) 13.991 1.199 ( 13.394 0.000 4.042) 13.991 1.642 ( -0.696 0.000 -5.006) 5.054 1.642 ( 0.696 0.000 5.006) 5.054 2.079 ( -10.127 0.000 -8.928) 13.500 2.079 ( 10.127 0.000 8.928) 13.500 2.559 ( -1.124 0.000 -23.204) 23.231 2.559 ( 1.124 0.000 23.204) 23.231 2.927 ( -4.774 0.000 -13.359) 14.186 2.927 ( 4.774 0.000 13.359) 14.186 3.331 ( -4.637 0.000 -1.639) 4.918 3.331 ( 4.637 0.000 1.639) 4.918 3.391 ( 2.822 0.000 -3.983) 4.881 3.391 ( -2.822 0.000 3.983) 4.881 3.485 ( 1.894 0.000 -0.693) 2.017 3.485 ( -1.894 0.000 0.693) 2.017 3.789 ( -0.110 0.000 -0.848) 0.855 3.789 ( 0.110 0.000 0.848) 0.855 4.089 ( 0.619 0.000 -1.787) 1.891 4.089 ( -0.619 0.000 1.787) 1.891 4.490 ( 0.264 0.000 -6.378) 6.384 4.490 ( -0.264 0.000 6.378) 6.384 4.809 ( -3.014 0.000 -9.232) 9.712 4.809 ( 3.014 0.000 9.232) 9.712 4.835 ( -6.951 0.000 -4.724) 8.405 4.835 ( 6.951 0.000 4.724) 8.405 4.900 ( 3.758 0.000 -6.332) 7.364 4.900 ( -3.758 0.000 6.332) 7.364 5.023 ( 2.988 0.000 -3.174) 4.359 5.023 ( -2.988 0.000 3.174) 4.359 5.536 ( 0.673 0.000 -4.582) 4.631 5.536 ( -0.673 0.000 4.582) 4.631 5.670 ( 2.232 0.000 -4.188) 4.745 5.670 ( -2.232 0.000 4.188) 4.745 5.810 ( -1.759 0.000 -4.357) 4.699 5.810 ( 1.759 0.000 4.357) 4.699 5.950 ( -0.483 0.000 -5.335) 5.357 5.950 ( 0.483 0.000 5.335) 5.357 6.084 ( 0.194 0.000 -3.274) 3.280 6.084 ( -0.194 0.000 3.274) 3.280 6.531 ( -1.436 0.000 -1.410) 2.013 6.531 ( 1.436 0.000 1.410) 2.013 6.740 ( 1.147 0.000 -1.536) 1.917 6.740 ( -1.147 0.000 1.536) 1.917 7.000 ( 1.167 0.000 -4.949) 5.085 7.000 ( -1.167 0.000 4.949) 5.085 7.177 ( 11.625 0.000 -8.168) 14.208 7.177 ( -11.625 0.000 8.168) 14.208 11.951 ( 1.484 0.000 -1.024) 1.803 11.951 ( -1.484 0.000 1.024) 1.803 12.646 ( 0.421 0.000 -3.254) 3.281 12.646 ( -0.421 0.000 3.254) 3.281 13.032 ( -0.057 0.000 -2.458) 2.459 13.032 ( 0.057 0.000 2.458) 2.459 13.958 ( -2.521 0.000 -4.659) 5.297 13.958 ( 2.521 0.000 4.659) 5.297 16.779 ( -2.118 0.000 0.101) 2.121 16.779 ( 2.118 0.000 -0.101) 2.121 17.047 ( 0.974 0.000 -1.799) 2.046 17.047 ( -0.974 0.000 1.799) 2.046 17.310 ( 0.576 0.000 -1.803) 1.893 17.310 ( -0.576 0.000 1.803) 1.893 17.742 ( -0.115 0.000 -1.055) 1.061 17.742 ( 0.115 0.000 1.055) 1.061 18.566 ( -1.978 0.000 -0.971) 2.203 18.566 ( 1.978 0.000 0.971) 2.203 18.841 ( -2.826 0.000 -2.340) 3.669 18.841 ( 2.826 0.000 2.340) 3.669 28.188 ( -1.840 0.000 -0.589) 1.932 28.188 ( 1.840 0.000 0.589) 1.932 28.595 ( 1.803 0.000 -2.254) 2.886 28.595 ( -1.803 0.000 2.254) 2.886 30.079 ( 0.902 0.000 -5.128) 5.207 30.079 ( -0.902 0.000 5.128) 5.207 30.987 ( -26.546 0.000 0.556) 26.552 30.987 ( 26.546 0.000 -0.556) 26.552 32.087 ( -2.394 0.000 -0.439) 2.434 32.087 ( 2.394 0.000 0.439) 2.434 32.992 ( 11.640 0.000 -7.578) 13.889 32.992 ( -11.640 0.000 7.578) 13.889 33.481 ( 0.504 0.000 -0.929) 1.056 33.481 ( -0.504 0.000 0.929) 1.056 34.571 ( -27.201 0.000 7.308) 28.166 34.571 ( 27.201 0.000 -7.308) 28.166 ======================= Grid point 177 (86/104) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 1.543 0.000 -16.083) 16.156 1.441 ( 15.400 0.000 -12.225) 19.662 1.599 ( -1.830 0.000 0.223) 1.843 1.700 ( -1.587 0.000 7.018) 7.195 1.835 ( -5.417 0.000 -5.876) 7.992 2.307 ( 5.983 0.000 10.269) 11.885 2.441 ( 9.730 0.000 -24.175) 26.060 2.759 ( -1.083 0.000 -9.818) 9.878 2.804 ( 3.121 0.000 20.062) 20.304 3.092 ( 0.897 0.000 11.012) 11.048 3.179 ( -8.479 0.000 -4.619) 9.655 3.353 ( -3.725 0.000 2.002) 4.229 3.371 ( 2.546 0.000 -7.542) 7.960 3.423 ( 3.858 0.000 -2.730) 4.726 3.497 ( 2.342 0.000 0.007) 2.342 3.542 ( 5.498 0.000 -4.413) 7.050 3.795 ( 0.947 0.000 -4.637) 4.733 3.817 ( 3.573 0.000 0.830) 3.668 4.102 ( -2.200 0.000 6.307) 6.680 4.111 ( 1.785 0.000 1.901) 2.607 4.416 ( 0.104 0.000 -11.215) 11.215 4.458 ( -3.478 0.000 -3.993) 5.296 4.676 ( -0.589 0.000 -7.462) 7.486 4.767 ( -2.584 0.000 11.625) 11.908 4.798 ( -2.020 0.000 -0.267) 2.038 4.944 ( -0.242 0.000 -2.422) 2.434 4.965 ( 2.387 0.000 0.075) 2.388 4.990 ( -3.411 0.000 3.416) 4.828 5.053 ( 9.628 0.000 7.993) 12.513 5.232 ( 14.939 0.000 9.069) 17.477 5.494 ( -1.003 0.000 -5.948) 6.032 5.542 ( -0.202 0.000 -3.133) 3.139 5.659 ( -1.538 0.000 4.011) 4.296 5.671 ( 2.282 0.000 -4.550) 5.090 5.709 ( -4.469 0.000 0.473) 4.494 5.815 ( -2.440 0.000 2.595) 3.562 5.950 ( 0.669 0.000 3.095) 3.167 6.028 ( -1.443 0.000 5.867) 6.042 6.056 ( -0.610 0.000 -2.499) 2.573 6.092 ( -1.706 0.000 2.426) 2.965 6.400 ( -16.241 0.000 -2.584) 16.446 6.427 ( -8.902 0.000 0.947) 8.952 6.654 ( -4.658 0.000 3.295) 5.706 6.681 ( -3.933 0.000 1.161) 4.101 6.992 ( -7.685 0.000 5.156) 9.254 7.013 ( 4.973 0.000 -10.407) 11.534 7.136 ( 2.154 0.000 9.013) 9.266 7.263 ( 4.786 0.000 -9.217) 10.386 11.963 ( 1.584 0.000 1.053) 1.902 12.001 ( 4.544 0.000 -0.979) 4.648 12.615 ( -1.030 0.000 -2.636) 2.830 12.651 ( -2.194 0.000 3.643) 4.253 13.052 ( 4.121 0.000 -2.463) 4.802 13.098 ( 4.776 0.000 2.323) 5.311 13.850 ( -4.803 0.000 -4.194) 6.376 14.011 ( -0.875 0.000 4.203) 4.293 16.745 ( -1.780 0.000 0.741) 1.928 16.824 ( 2.359 0.000 1.101) 2.603 17.032 ( -1.566 0.000 0.891) 1.802 17.037 ( -0.021 0.000 -2.343) 2.343 17.297 ( -2.359 0.000 -0.016) 2.359 17.311 ( 1.239 0.000 -1.736) 2.133 17.734 ( 0.135 0.000 -1.061) 1.070 17.755 ( 0.124 0.000 1.238) 1.244 18.525 ( -1.449 0.000 -1.125) 1.835 18.618 ( 3.143 0.000 0.656) 3.210 18.770 ( -2.704 0.000 -2.060) 3.399 18.903 ( 1.689 0.000 1.934) 2.568 28.161 ( -0.707 0.000 -0.065) 0.710 28.239 ( 2.930 0.000 0.831) 3.046 28.561 ( -3.278 0.000 0.531) 3.321 28.596 ( 0.543 0.000 -2.495) 2.553 30.050 ( 0.721 0.000 -5.148) 5.198 30.094 ( -2.289 0.000 5.058) 5.552 30.600 ( -18.505 0.000 8.766) 20.476 31.415 ( 5.716 0.000 7.575) 9.490 32.080 ( 2.460 0.000 -0.339) 2.483 32.146 ( 3.376 0.000 -0.190) 3.381 32.679 ( -13.094 0.000 -0.652) 13.110 32.970 ( -2.990 0.000 -5.757) 6.487 33.548 ( 6.824 0.000 -5.691) 8.886 33.573 ( 6.270 0.000 0.659) 6.305 34.297 ( -6.055 0.000 7.899) 9.953 35.043 ( 30.827 0.000 -16.250) 34.848 ======================= Grid point 178 (87/104) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 6.669 0.000 -16.870) 18.140 1.488 ( -1.103 0.000 -9.390) 9.455 1.646 ( 10.507 0.000 -7.635) 12.988 1.764 ( 9.836 0.000 7.385) 12.299 1.863 ( 4.416 0.000 4.368) 6.211 2.494 ( 4.675 0.000 11.729) 12.627 2.502 ( 17.925 0.000 -23.926) 29.896 2.768 ( 7.251 0.000 -1.554) 7.415 2.939 ( -5.172 0.000 15.501) 16.341 2.974 ( -7.759 0.000 -5.977) 9.795 3.124 ( -5.208 0.000 5.933) 7.895 3.299 ( -3.991 0.000 3.422) 5.257 3.346 ( 2.991 0.000 -9.019) 9.502 3.409 ( -2.689 0.000 -6.190) 6.749 3.556 ( 4.734 0.000 -3.027) 5.619 3.614 ( 7.777 0.000 -6.540) 10.161 3.731 ( -2.816 0.000 -5.228) 5.938 3.917 ( 4.129 0.000 2.857) 5.022 4.070 ( -7.407 0.000 5.953) 9.502 4.159 ( 3.000 0.000 -3.026) 4.261 4.298 ( -2.546 0.000 -12.834) 13.084 4.392 ( -0.101 0.000 -2.687) 2.689 4.642 ( 1.088 0.000 -4.809) 4.931 4.762 ( -1.142 0.000 -0.758) 1.371 4.876 ( 2.859 0.000 6.133) 6.767 4.919 ( -5.036 0.000 3.218) 5.976 4.947 ( 1.207 0.000 1.599) 2.003 4.995 ( 0.437 0.000 6.637) 6.651 5.277 ( 7.142 0.000 1.704) 7.342 5.401 ( -2.479 0.000 -0.693) 2.574 5.513 ( 2.755 0.000 -7.935) 8.400 5.553 ( 8.084 0.000 7.045) 10.723 5.662 ( -3.156 0.000 4.842) 5.780 5.701 ( 2.009 0.000 -1.848) 2.730 5.708 ( 1.611 0.000 3.563) 3.911 5.740 ( -13.939 0.000 -14.362) 20.014 5.814 ( -0.401 0.000 0.094) 0.412 5.998 ( 0.445 0.000 4.790) 4.811 6.000 ( -2.766 0.000 -3.226) 4.249 6.072 ( -2.284 0.000 2.566) 3.435 6.252 ( -4.648 0.000 4.962) 6.798 6.278 ( -6.660 0.000 2.054) 6.970 6.599 ( -7.026 0.000 1.632) 7.213 6.617 ( -3.640 0.000 7.837) 8.641 6.937 ( -4.869 0.000 10.190) 11.294 6.997 ( 3.838 0.000 -12.551) 13.125 7.228 ( -2.548 0.000 11.999) 12.267 7.237 ( 1.675 0.000 -8.138) 8.309 12.019 ( 3.230 0.000 1.177) 3.438 12.087 ( 5.146 0.000 -1.300) 5.307 12.569 ( -1.576 0.000 -2.213) 2.717 12.626 ( -3.760 0.000 3.759) 5.317 13.129 ( 6.145 0.000 -2.820) 6.761 13.234 ( 7.314 0.000 1.919) 7.562 13.723 ( -5.136 0.000 -2.855) 5.876 13.990 ( -4.653 0.000 3.055) 5.566 16.736 ( 0.317 0.000 1.136) 1.180 16.888 ( 2.883 0.000 2.224) 3.641 17.012 ( -1.054 0.000 0.321) 1.101 17.024 ( 1.066 0.000 -1.902) 2.181 17.207 ( -5.742 0.000 -3.126) 6.538 17.317 ( 0.311 0.000 -1.622) 1.652 17.729 ( 0.435 0.000 -1.116) 1.198 17.766 ( -0.005 0.000 1.406) 1.406 18.500 ( -0.256 0.000 -0.755) 0.798 18.689 ( 1.339 0.000 -0.947) 1.640 18.712 ( 0.091 0.000 0.582) 0.589 18.931 ( -0.181 0.000 1.254) 1.266 28.162 ( 0.445 0.000 0.936) 1.037 28.309 ( 3.725 0.000 0.940) 3.842 28.482 ( -4.280 0.000 -2.442) 4.928 28.576 ( -0.659 0.000 -2.187) 2.284 30.021 ( 0.796 0.000 -5.417) 5.475 30.067 ( -5.246 0.000 5.509) 7.607 30.436 ( -8.594 0.000 10.684) 13.711 31.153 ( -22.684 0.000 -9.559) 24.616 32.084 ( 0.151 0.000 -1.683) 1.690 32.193 ( 1.991 0.000 -1.439) 2.457 32.818 ( 10.905 0.000 14.085) 17.813 32.886 ( -1.852 0.000 -1.382) 2.311 33.610 ( 6.251 0.000 -8.302) 10.393 33.632 ( 1.365 0.000 -2.200) 2.589 34.516 ( 13.431 0.000 23.445) 27.019 35.384 ( 22.801 0.000 -22.961) 32.358 ======================= Grid point 179 (88/104) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 6.776 0.000 -8.875) 11.166 1.325 ( -9.912 0.000 -3.656) 10.565 1.785 ( 13.104 0.000 -12.907) 18.394 1.914 ( -1.733 0.000 9.119) 9.282 2.198 ( 21.662 0.000 4.682) 22.162 2.673 ( 3.049 0.000 12.538) 12.903 2.691 ( 18.121 0.000 -16.699) 24.642 2.830 ( -0.331 0.000 -4.768) 4.780 2.857 ( -14.509 0.000 9.374) 17.274 2.976 ( 11.749 0.000 3.530) 12.268 3.021 ( -8.286 0.000 2.420) 8.632 3.266 ( -4.318 0.000 -6.972) 8.201 3.277 ( -1.863 0.000 4.174) 4.571 3.339 ( 2.336 0.000 -6.928) 7.311 3.545 ( -1.598 0.000 -4.494) 4.769 3.708 ( 5.072 0.000 -1.425) 5.269 3.723 ( 7.646 0.000 -3.710) 8.498 3.922 ( -12.126 0.000 4.008) 12.771 3.973 ( -1.323 0.000 1.967) 2.371 4.106 ( -5.471 0.000 -13.575) 14.636 4.178 ( 2.574 0.000 -2.980) 3.937 4.365 ( -1.808 0.000 -5.186) 5.492 4.630 ( 0.234 0.000 2.071) 2.084 4.740 ( -1.000 0.000 -0.852) 1.314 4.811 ( -0.165 0.000 -0.157) 0.227 4.972 ( -0.970 0.000 -0.647) 1.166 5.019 ( -0.578 0.000 11.481) 11.495 5.137 ( 6.454 0.000 6.859) 9.418 5.280 ( 0.903 0.000 -5.595) 5.668 5.337 ( -8.345 0.000 -13.504) 15.874 5.457 ( 3.664 0.000 0.785) 3.747 5.491 ( 1.783 0.000 -7.803) 8.004 5.614 ( -7.067 0.000 1.117) 7.154 5.630 ( -3.309 0.000 1.571) 3.663 5.767 ( 1.697 0.000 3.380) 3.782 5.842 ( 7.908 0.000 1.483) 8.046 5.877 ( 0.860 0.000 4.594) 4.674 5.941 ( 4.503 0.000 -3.306) 5.586 6.038 ( -0.740 0.000 3.128) 3.214 6.051 ( -2.316 0.000 4.321) 4.902 6.188 ( -4.518 0.000 3.480) 5.702 6.242 ( 1.896 0.000 -2.353) 3.021 6.452 ( -8.766 0.000 1.168) 8.843 6.578 ( -5.563 0.000 -1.147) 5.680 6.972 ( -4.877 0.000 17.665) 18.326 6.977 ( 4.385 0.000 -9.032) 10.040 7.219 ( 4.709 0.000 -10.576) 11.577 7.246 ( -6.496 0.000 13.681) 15.145 12.093 ( 3.303 0.000 1.417) 3.594 12.152 ( 2.784 0.000 -1.781) 3.305 12.531 ( -0.119 0.000 -2.456) 2.458 12.579 ( -4.392 0.000 3.629) 5.697 13.227 ( 6.779 0.000 -2.814) 7.340 13.358 ( 2.538 0.000 1.400) 2.899 13.649 ( 0.651 0.000 -1.067) 1.250 13.892 ( -7.772 0.000 1.637) 7.942 16.783 ( 3.334 0.000 1.948) 3.862 16.945 ( 1.032 0.000 0.983) 1.425 16.998 ( -0.728 0.000 0.197) 0.754 17.050 ( -3.071 0.000 -4.060) 5.091 17.074 ( 1.216 0.000 0.668) 1.387 17.277 ( -2.976 0.000 -2.298) 3.760 17.740 ( 1.609 0.000 -0.894) 1.840 17.775 ( -0.561 0.000 1.465) 1.569 18.508 ( 1.513 0.000 -0.075) 1.515 18.626 ( -3.559 0.000 -1.282) 3.783 18.794 ( 4.076 0.000 1.328) 4.287 18.918 ( -1.869 0.000 0.376) 1.906 28.195 ( 1.677 0.000 2.449) 2.968 28.364 ( -2.615 0.000 -3.624) 4.469 28.397 ( 2.438 0.000 0.350) 2.463 28.535 ( -2.036 0.000 -1.807) 2.723 29.992 ( 1.401 0.000 -6.056) 6.215 30.011 ( -5.475 0.000 6.316) 8.359 30.423 ( -2.793 0.000 10.233) 10.608 30.718 ( -11.641 0.000 -13.039) 17.479 32.099 ( 1.846 0.000 0.252) 1.863 32.190 ( -0.601 0.000 -2.216) 2.296 32.891 ( 2.383 0.000 0.880) 2.540 33.004 ( -1.528 0.000 8.417) 8.554 33.642 ( 0.226 0.000 2.102) 2.114 33.648 ( 5.334 0.000 -8.664) 10.174 35.018 ( 10.796 0.000 33.519) 35.215 35.504 ( 12.640 0.000 -27.839) 30.575 ======================= Grid point 180 (89/104) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -11.924 0.000 0.194) 11.926 1.095 ( 11.924 0.000 -0.194) 11.926 1.898 ( 9.011 0.000 -11.132) 14.322 1.898 ( -9.011 0.000 11.132) 14.322 2.584 ( -18.476 0.000 1.743) 18.558 2.584 ( 18.476 0.000 -1.743) 18.558 2.768 ( 4.969 0.000 -11.448) 12.480 2.768 ( -4.969 0.000 11.448) 12.480 2.901 ( 7.076 0.000 -3.731) 7.999 2.901 ( -7.076 0.000 3.731) 7.999 3.167 ( -3.288 0.000 -3.543) 4.834 3.167 ( 3.288 0.000 3.543) 4.834 3.293 ( -1.146 0.000 -4.315) 4.465 3.293 ( 1.146 0.000 4.315) 4.465 3.632 ( -11.003 0.000 -3.594) 11.575 3.632 ( 11.003 0.000 3.594) 11.575 3.827 ( 4.215 0.000 -8.403) 9.401 3.827 ( -4.215 0.000 8.403) 9.401 3.946 ( 1.134 0.000 -6.004) 6.110 3.946 ( -1.134 0.000 6.004) 6.110 4.241 ( -5.102 0.000 -2.448) 5.659 4.241 ( 5.102 0.000 2.448) 5.659 4.693 ( -3.311 0.000 -1.119) 3.495 4.693 ( 3.311 0.000 1.119) 3.495 4.888 ( -4.454 0.000 -4.272) 6.171 4.888 ( 4.454 0.000 4.272) 6.171 5.123 ( -2.444 0.000 -11.848) 12.098 5.123 ( 2.444 0.000 11.848) 12.098 5.272 ( -1.110 0.000 -6.721) 6.812 5.272 ( 1.110 0.000 6.721) 6.812 5.463 ( 2.371 0.000 -4.166) 4.793 5.463 ( -2.371 0.000 4.166) 4.793 5.571 ( -1.891 0.000 -2.901) 3.463 5.571 ( 1.891 0.000 2.901) 3.463 5.831 ( -1.865 0.000 -3.299) 3.789 5.831 ( 1.865 0.000 3.299) 3.789 5.978 ( -5.364 0.000 0.269) 5.371 5.978 ( 5.364 0.000 -0.269) 5.371 6.072 ( -0.884 0.000 -2.138) 2.313 6.072 ( 0.884 0.000 2.138) 2.313 6.189 ( -5.614 0.000 -0.085) 5.615 6.189 ( 5.614 0.000 0.085) 5.615 6.431 ( -6.066 0.000 -2.114) 6.424 6.431 ( 6.066 0.000 2.114) 6.424 6.997 ( 6.055 0.000 -12.124) 13.552 6.997 ( -6.055 0.000 12.124) 13.552 7.230 ( 6.921 0.000 -13.305) 14.997 7.230 ( -6.921 0.000 13.305) 14.997 12.152 ( -1.184 0.000 -1.702) 2.074 12.152 ( 1.184 0.000 1.702) 2.074 12.534 ( 3.006 0.000 -3.165) 4.365 12.534 ( -3.006 0.000 3.165) 4.365 13.327 ( 5.619 0.000 -1.874) 5.923 13.327 ( -5.619 0.000 1.874) 5.923 13.744 ( -8.354 0.000 0.586) 8.375 13.744 ( 8.354 0.000 -0.586) 8.375 16.887 ( -5.290 0.000 -2.904) 6.035 16.887 ( 5.290 0.000 2.904) 6.035 16.987 ( 0.553 0.000 -0.496) 0.743 16.987 ( -0.553 0.000 0.496) 0.743 17.177 ( -5.062 0.000 -2.582) 5.683 17.177 ( 5.062 0.000 2.582) 5.683 17.765 ( 1.652 0.000 -1.081) 1.975 17.765 ( -1.652 0.000 1.081) 1.975 18.554 ( -3.090 0.000 -0.681) 3.164 18.554 ( 3.090 0.000 0.681) 3.164 18.870 ( -3.147 0.000 -0.570) 3.198 18.870 ( 3.147 0.000 0.570) 3.198 28.266 ( -2.970 0.000 -4.026) 5.003 28.266 ( 2.970 0.000 4.026) 5.003 28.471 ( -3.270 0.000 -1.440) 3.573 28.471 ( 3.270 0.000 1.440) 3.573 29.981 ( 3.309 0.000 -6.480) 7.276 29.981 ( -3.309 0.000 6.480) 7.276 30.500 ( -2.153 0.000 -10.867) 11.078 30.500 ( 2.153 0.000 10.867) 11.078 32.146 ( -2.061 0.000 -1.648) 2.638 32.146 ( 2.061 0.000 1.648) 2.638 32.966 ( -4.869 0.000 1.028) 4.977 32.966 ( 4.869 0.000 -1.028) 4.977 33.660 ( 2.837 0.000 -6.947) 7.504 33.660 ( -2.837 0.000 6.947) 7.504 35.386 ( 1.333 0.000 -32.347) 32.374 35.386 ( -1.333 0.000 32.347) 32.374 ======================= Grid point 185 (90/104) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -8.399 6.155 -9.262) 13.936 1.261 ( 8.399 6.155 9.262) 13.936 1.730 ( -1.005 8.120 -3.742) 8.997 1.730 ( 1.005 8.120 3.742) 8.997 2.163 ( -8.297 6.908 -8.526) 13.757 2.163 ( 8.297 6.908 8.526) 13.757 2.513 ( -5.051 -5.364 -14.561) 16.319 2.513 ( 5.051 -5.364 14.561) 16.319 2.822 ( -3.121 -8.821 -11.871) 15.115 2.822 ( 3.121 -8.821 11.871) 15.115 3.151 ( -3.094 -9.145 -3.280) 10.197 3.151 ( 3.094 -9.145 3.280) 10.197 3.346 ( -0.298 -2.119 -5.083) 5.515 3.346 ( 0.298 -2.119 5.083) 5.515 3.584 ( -1.194 -0.267 -3.498) 3.705 3.584 ( 1.194 -0.267 3.498) 3.705 3.860 ( -5.265 6.385 -3.582) 9.018 3.860 ( 5.265 6.385 3.582) 9.018 4.136 ( -2.682 4.812 -0.907) 5.583 4.136 ( 2.682 4.812 0.907) 5.583 4.514 ( -0.355 1.265 -4.676) 4.857 4.514 ( 0.355 1.265 4.676) 4.857 4.753 ( -4.282 -2.785 -2.936) 5.892 4.753 ( 4.282 -2.785 2.936) 5.892 4.838 ( -8.010 0.076 -6.406) 10.257 4.838 ( 8.010 0.076 6.406) 10.257 4.937 ( -4.016 3.256 -7.326) 8.966 4.937 ( 4.016 3.256 7.326) 8.966 5.109 ( -0.067 5.945 -1.707) 6.185 5.109 ( 0.067 5.945 1.707) 6.185 5.516 ( -0.213 -0.944 -4.540) 4.642 5.516 ( 0.213 -0.944 4.540) 4.642 5.665 ( 2.396 -1.174 -5.839) 6.420 5.665 ( -2.396 -1.174 5.839) 6.420 5.796 ( -3.058 -1.107 -6.465) 7.237 5.796 ( 3.058 -1.107 6.465) 7.237 5.975 ( -1.333 1.851 -6.314) 6.713 5.975 ( 1.333 1.851 6.314) 6.713 6.100 ( 1.074 2.001 -4.319) 4.879 6.100 ( -1.074 2.001 4.319) 4.879 6.497 ( -1.330 -3.229 -0.928) 3.614 6.497 ( 1.330 -3.229 0.928) 3.614 6.685 ( -7.741 -5.145 -1.590) 9.430 6.685 ( 7.741 -5.145 1.590) 9.430 7.003 ( -2.988 0.230 -5.734) 6.470 7.003 ( 2.988 0.230 5.734) 6.470 7.155 ( 9.743 -1.635 -6.995) 12.105 7.155 ( -9.743 -1.635 6.995) 12.105 11.955 ( 0.820 0.346 -0.877) 1.249 11.955 ( -0.820 0.346 0.877) 1.249 12.638 ( 0.358 -0.725 -2.917) 3.027 12.638 ( -0.358 -0.725 2.917) 3.027 13.038 ( 0.035 0.510 -2.266) 2.323 13.038 ( -0.035 0.510 2.266) 2.323 13.962 ( -2.224 0.356 -3.845) 4.456 13.962 ( 2.224 0.356 3.845) 4.456 16.783 ( -1.461 0.349 -0.204) 1.516 16.783 ( 1.461 0.349 0.204) 1.516 17.021 ( 0.861 -2.196 -2.183) 3.214 17.021 ( -0.861 -2.196 2.183) 3.214 17.300 ( 0.190 -0.816 -1.283) 1.532 17.300 ( -0.190 -0.816 1.283) 1.532 17.741 ( -0.243 -0.118 -0.948) 0.986 17.741 ( 0.243 -0.118 0.948) 0.986 18.601 ( -1.083 2.819 -0.247) 3.030 18.601 ( 1.083 2.819 0.247) 3.030 18.843 ( -2.730 0.194 -2.237) 3.534 18.843 ( 2.730 0.194 2.237) 3.534 28.189 ( -1.597 0.130 -0.437) 1.661 28.189 ( 1.597 0.130 0.437) 1.661 28.578 ( 1.407 -1.519 -1.585) 2.608 28.578 ( -1.407 -1.519 1.585) 2.608 30.085 ( 0.947 0.651 -4.962) 5.094 30.085 ( -0.947 0.651 4.962) 5.094 30.837 ( -18.070 -12.264 3.552) 22.126 30.837 ( 18.070 -12.264 -3.552) 22.126 32.098 ( -2.256 0.994 -1.387) 2.828 32.098 ( 2.256 0.994 1.387) 2.828 32.881 ( -9.121 -6.503 -6.371) 12.886 32.881 ( 9.121 -6.503 6.371) 12.886 33.684 ( -8.394 13.425 -0.099) 15.833 33.684 ( 8.394 13.425 0.099) 15.833 34.627 ( -25.515 5.149 6.124) 26.740 34.627 ( 25.515 5.149 -6.124) 26.740 ======================= Grid point 187 (91/104) ======================= q-point: ( 0.12 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 3.332 11.641 -13.447) 18.095 1.498 ( 11.404 3.850 -1.339) 12.111 1.668 ( -1.078 7.201 -6.495) 9.757 1.783 ( 1.920 5.836 5.277) 8.099 1.909 ( -9.820 8.901 -4.703) 14.064 2.317 ( 1.864 -0.575 4.717) 5.105 2.424 ( 9.283 -1.928 -14.276) 17.137 2.685 ( 4.156 -6.570 -8.115) 11.238 2.775 ( 2.957 -4.887 8.572) 10.301 2.971 ( 1.042 -9.708 10.617) 14.424 3.071 ( -3.136 -5.498 0.381) 6.341 3.253 ( 0.839 -3.824 -5.130) 6.453 3.290 ( 3.662 -5.167 1.759) 6.572 3.394 ( 1.152 -0.350 -1.373) 1.826 3.576 ( 4.488 0.444 -4.439) 6.328 3.647 ( 2.966 1.317 0.696) 3.319 3.757 ( -1.816 0.429 -2.478) 3.102 3.928 ( -1.933 8.184 0.499) 8.424 4.092 ( 0.046 0.407 2.170) 2.208 4.196 ( 2.102 6.219 -0.998) 6.640 4.422 ( -2.455 0.492 -7.761) 8.155 4.481 ( -3.524 1.697 -3.227) 5.070 4.646 ( -1.199 -1.522 -5.424) 5.760 4.727 ( -1.000 -0.070 3.946) 4.072 4.850 ( 2.378 -3.575 0.571) 4.331 4.876 ( -0.176 3.714 -0.480) 3.749 5.035 ( 0.391 1.348 4.613) 4.821 5.048 ( 0.480 3.610 3.607) 5.126 5.117 ( 5.045 5.983 2.307) 8.159 5.257 ( 13.683 2.212 6.957) 15.509 5.476 ( -0.190 0.256 -4.098) 4.111 5.578 ( 1.690 -2.295 3.016) 4.150 5.595 ( -2.768 -0.713 -7.366) 7.901 5.649 ( -1.976 0.002 2.284) 3.020 5.725 ( -0.755 -1.579 0.050) 1.751 5.850 ( -0.657 2.189 0.327) 2.309 5.890 ( -3.140 -4.035 -2.505) 5.693 6.034 ( -2.122 -1.199 2.363) 3.395 6.072 ( -0.434 2.925 0.681) 3.035 6.122 ( -1.455 3.087 3.210) 4.686 6.362 ( -14.806 -3.092 -0.876) 15.151 6.405 ( -7.859 -2.225 0.815) 8.209 6.572 ( -2.180 -5.553 1.115) 6.069 6.733 ( -4.628 2.613 2.725) 5.973 6.893 ( 0.665 -7.444 -5.154) 9.078 7.014 ( -7.064 -0.299 4.146) 8.197 7.157 ( 3.535 0.877 2.051) 4.180 7.263 ( 5.278 -0.028 -1.334) 5.444 11.966 ( 1.654 0.339 0.712) 1.832 12.001 ( 4.041 -0.091 -0.763) 4.114 12.609 ( -1.091 -0.566 -2.376) 2.675 12.641 ( -2.107 -0.918 3.261) 3.990 13.060 ( 4.048 0.673 -2.189) 4.651 13.100 ( 4.621 0.099 1.959) 5.020 13.866 ( -4.620 1.459 -3.350) 5.890 14.004 ( -1.073 -0.681 3.527) 3.749 16.754 ( -1.469 0.792 0.606) 1.775 16.823 ( 2.098 -0.133 1.136) 2.389 17.013 ( 0.555 -1.817 -2.020) 2.773 17.019 ( -0.798 -1.230 0.617) 1.591 17.284 ( -1.376 -0.995 -0.320) 1.728 17.303 ( 0.275 -0.750 -1.385) 1.599 17.728 ( -0.352 -0.427 -0.651) 0.854 17.757 ( 0.486 -0.005 0.952) 1.069 18.566 ( -1.978 3.289 0.206) 3.843 18.647 ( 3.225 2.521 0.181) 4.097 18.772 ( -2.795 0.299 -2.063) 3.487 18.901 ( 1.477 -0.261 1.867) 2.395 28.168 ( -0.519 0.623 0.069) 0.814 28.234 ( 2.684 -0.419 0.726) 2.812 28.545 ( -2.749 -1.325 -0.205) 3.059 28.580 ( 0.330 -1.481 -1.902) 2.433 30.055 ( 0.248 0.512 -4.478) 4.514 30.099 ( -2.193 0.410 4.410) 4.942 30.554 ( -14.980 -3.929 8.615) 17.721 31.098 ( 5.870 -22.973 -3.018) 23.903 32.074 ( 0.632 0.095 -0.327) 0.718 32.166 ( 2.725 0.298 -0.381) 2.767 32.681 ( -3.407 1.730 0.994) 3.948 33.075 ( 2.186 0.987 3.713) 4.420 33.480 ( -5.724 6.061 0.809) 8.376 33.860 ( 8.323 13.721 -4.613) 16.698 34.330 ( -8.182 5.309 4.869) 10.901 35.054 ( 26.906 0.392 -13.928) 30.300 ======================= Grid point 188 (92/104) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 4.169 11.064 -14.763) 18.914 1.585 ( -3.483 7.029 -5.508) 9.585 1.688 ( 13.945 4.557 -5.695) 15.737 1.833 ( 8.991 2.103 -1.256) 9.319 1.923 ( 2.726 10.411 9.645) 14.451 2.372 ( 6.571 -6.241 -2.390) 9.372 2.563 ( 11.167 -0.173 -5.565) 12.478 2.743 ( 8.286 -3.813 -3.509) 9.773 2.795 ( -3.804 -7.643 0.624) 8.560 3.015 ( -3.588 -8.123 6.405) 10.949 3.042 ( -4.722 1.719 6.816) 8.468 3.215 ( 1.355 -3.363 -5.239) 6.372 3.323 ( -1.837 -2.562 -2.841) 4.244 3.406 ( 1.322 1.504 -2.427) 3.147 3.615 ( 2.582 -3.114 -6.272) 7.463 3.664 ( -5.245 2.077 -4.171) 7.015 3.715 ( 5.525 4.905 -0.742) 7.425 3.948 ( 3.673 0.763 2.757) 4.656 4.092 ( -3.063 1.544 0.132) 3.433 4.185 ( 0.152 2.275 -4.588) 5.123 4.322 ( -2.973 2.838 -6.924) 8.052 4.419 ( -0.012 2.407 -2.822) 3.709 4.627 ( 2.573 -0.603 -3.326) 4.248 4.767 ( 2.368 1.428 -0.282) 2.780 4.883 ( 1.741 -2.344 0.129) 2.922 4.917 ( 0.435 0.991 9.232) 9.295 4.971 ( -5.279 3.587 -2.899) 7.010 5.049 ( 0.880 4.165 3.145) 5.293 5.302 ( 5.066 1.543 0.424) 5.313 5.405 ( -1.272 0.659 -0.853) 1.667 5.515 ( 2.977 -1.276 -7.342) 8.025 5.568 ( 8.159 -1.214 7.516) 11.160 5.633 ( -3.191 -1.002 -3.105) 4.564 5.650 ( -2.638 -1.025 4.059) 4.948 5.663 ( -3.520 -2.341 -4.779) 6.380 5.767 ( -2.210 -0.753 0.069) 2.336 5.840 ( 1.119 2.715 -2.680) 3.976 5.979 ( -2.286 -1.723 1.724) 3.342 6.010 ( -2.730 0.442 0.210) 2.773 6.076 ( -3.215 0.997 0.799) 3.460 6.217 ( -6.310 -3.330 3.062) 7.763 6.286 ( -5.846 1.048 3.038) 6.671 6.542 ( -4.455 -3.328 4.716) 7.291 6.671 ( -4.250 2.828 5.448) 7.466 6.843 ( -5.004 -7.868 2.273) 9.597 6.954 ( 2.206 -3.346 -7.485) 8.491 7.201 ( -0.006 1.142 3.988) 4.148 7.326 ( -1.173 3.322 5.341) 6.398 12.021 ( 3.296 0.208 0.842) 3.408 12.079 ( 4.804 -0.709 -1.139) 4.988 12.563 ( -1.695 -0.506 -1.975) 2.651 12.614 ( -3.656 -1.065 3.372) 5.086 13.139 ( 6.234 0.951 -2.461) 6.769 13.231 ( 7.317 -0.346 1.627) 7.504 13.746 ( -5.344 2.081 -2.285) 6.173 13.977 ( -4.650 -1.348 2.526) 5.461 16.750 ( 0.596 1.261 1.057) 1.750 16.884 ( 2.817 -0.446 2.383) 3.717 17.000 ( -0.070 -0.891 -1.762) 1.976 17.019 ( 0.855 -0.459 -0.285) 1.012 17.208 ( -5.089 0.169 -2.848) 5.834 17.301 ( 0.052 -1.451 -1.155) 1.855 17.724 ( 0.576 -0.244 -0.478) 0.787 17.771 ( 0.124 0.187 0.964) 0.990 18.535 ( -1.169 3.028 -0.099) 3.248 18.704 ( -2.629 0.692 -1.758) 3.238 18.723 ( 3.686 1.496 1.254) 4.171 18.925 ( -0.274 -0.633 1.201) 1.385 28.172 ( 0.558 0.953 0.965) 1.467 28.299 ( 3.536 -0.925 0.922) 3.770 28.472 ( -3.708 -0.685 -2.765) 4.676 28.560 ( -0.811 -1.463 -1.863) 2.504 30.021 ( 0.173 0.170 -4.531) 4.537 30.070 ( -4.795 0.182 4.635) 6.671 30.428 ( -7.185 -0.614 9.545) 11.963 30.944 ( -12.068 -16.198 -10.636) 22.829 32.080 ( 0.371 -0.180 -1.058) 1.136 32.181 ( 1.080 -1.272 -1.643) 2.342 32.774 ( 4.004 1.547 4.834) 6.465 33.073 ( -2.397 7.479 5.919) 9.834 33.494 ( 3.704 0.296 1.189) 3.901 33.938 ( 4.670 16.943 -5.845) 18.521 34.461 ( 11.298 -3.405 17.921) 21.457 35.346 ( 19.160 -4.064 -19.902) 27.923 ======================= Grid point 189 (93/104) ======================= q-point: ( 0.38 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 7.243 10.803 -8.347) 15.455 1.431 ( -9.471 8.337 -1.871) 12.756 1.852 ( 12.944 6.782 -12.840) 19.453 1.993 ( -2.960 7.825 8.756) 12.110 2.181 ( 20.376 -2.327 4.205) 20.935 2.531 ( 6.594 -11.070 4.812) 13.754 2.660 ( 3.307 -5.036 -4.937) 7.789 2.766 ( 0.990 -1.429 -0.239) 1.755 2.863 ( 0.480 -3.731 -0.810) 3.848 2.949 ( -9.416 -0.028 3.959) 10.214 3.024 ( 5.580 -3.162 2.435) 6.860 3.213 ( -0.991 -0.641 2.476) 2.742 3.253 ( 2.070 -3.425 -6.735) 7.834 3.348 ( -4.567 2.694 -4.564) 6.996 3.509 ( -2.900 -3.391 -1.651) 4.758 3.670 ( 4.428 -1.317 -3.476) 5.782 3.838 ( 6.512 7.167 0.859) 9.722 3.988 ( -2.477 2.093 -2.265) 3.955 4.001 ( -3.748 3.064 -1.339) 5.023 4.134 ( -6.364 0.266 -2.109) 6.710 4.196 ( 0.586 5.117 -5.560) 7.579 4.378 ( -2.496 1.131 -6.389) 6.952 4.674 ( 4.264 4.323 1.451) 6.243 4.797 ( 2.268 3.264 -0.860) 4.067 4.860 ( -3.181 5.429 -0.003) 6.292 4.929 ( 0.137 -3.548 0.991) 3.686 5.025 ( 2.131 0.214 6.758) 7.089 5.127 ( 2.336 0.133 5.469) 5.948 5.270 ( 0.421 -1.450 -8.462) 8.596 5.323 ( -6.688 -1.876 -10.058) 12.223 5.431 ( 0.755 -1.261 0.739) 1.645 5.540 ( 1.940 4.229 -4.824) 6.702 5.634 ( -4.978 0.165 3.120) 5.877 5.650 ( -5.224 2.814 -0.264) 5.940 5.718 ( 5.509 -2.808 3.060) 6.900 5.847 ( 5.666 0.191 1.123) 5.780 5.890 ( 3.747 -0.224 4.878) 6.155 5.945 ( 0.565 0.914 -3.890) 4.036 6.009 ( 1.099 -3.160 2.505) 4.180 6.033 ( -3.125 -0.955 3.600) 4.862 6.154 ( -3.356 -3.432 1.209) 4.950 6.230 ( 0.103 -0.665 0.573) 0.884 6.425 ( -9.205 -2.285 1.556) 9.611 6.577 ( -8.909 -1.547 -1.950) 9.250 6.871 ( 1.970 -5.521 10.114) 11.690 6.964 ( 4.413 -2.149 -6.416) 8.078 7.232 ( -1.398 1.643 5.758) 6.149 7.304 ( -4.425 3.216 3.407) 6.445 12.093 ( 3.309 0.024 1.079) 3.480 12.143 ( 2.836 -0.796 -1.537) 3.323 12.523 ( -0.413 -0.638 -2.133) 2.264 12.566 ( -4.225 -1.120 3.232) 5.436 13.242 ( 6.857 1.474 -2.334) 7.392 13.362 ( 3.638 0.188 1.207) 3.837 13.661 ( -0.772 1.214 -0.861) 1.676 13.877 ( -7.516 -1.496 1.249) 7.765 16.799 ( 3.391 1.524 1.895) 4.173 16.947 ( 1.266 0.069 1.667) 2.094 16.988 ( -0.304 -0.750 -0.507) 0.955 17.039 ( -0.478 -1.059 -3.062) 3.275 17.092 ( -1.350 1.656 -0.435) 2.181 17.264 ( -2.940 -1.282 -1.717) 3.637 17.741 ( 1.582 0.167 -0.539) 1.680 17.776 ( -0.526 0.084 1.053) 1.180 18.531 ( 0.828 2.137 0.100) 2.294 18.633 ( -3.410 0.652 -1.097) 3.641 18.804 ( 3.591 0.820 1.146) 3.857 18.913 ( -1.676 -0.591 0.333) 1.808 28.206 ( 1.700 1.044 2.327) 3.065 28.371 ( -3.665 -0.012 -4.219) 5.589 28.377 ( 3.761 -1.113 1.063) 4.064 28.518 ( -2.127 -1.513 -1.679) 3.104 29.990 ( 0.616 -0.039 -4.292) 4.336 30.015 ( -4.659 0.257 4.455) 6.452 30.419 ( -2.624 -0.318 9.093) 9.470 30.646 ( -7.695 -6.010 -11.638) 15.192 32.092 ( 1.610 -0.419 -0.084) 1.666 32.173 ( -0.741 -1.444 -1.639) 2.306 32.846 ( 2.342 -1.229 2.994) 3.995 33.046 ( -4.882 0.384 0.921) 4.983 33.635 ( 6.843 6.969 6.975) 12.002 33.923 ( -0.131 17.305 -7.838) 18.998 34.912 ( 12.053 -9.299 28.488) 32.300 35.428 ( 9.302 -7.360 -24.369) 27.103 ======================= Grid point 190 (94/104) ======================= q-point: (-0.50 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -10.521 10.798 0.335) 15.080 1.221 ( 10.521 10.798 -0.335) 15.080 1.962 ( 9.071 6.251 -10.980) 15.554 1.962 ( -9.071 6.251 10.980) 15.554 2.538 ( -7.020 -7.293 -5.205) 11.383 2.538 ( 7.020 -7.293 5.205) 11.383 2.691 ( -6.708 -2.817 0.158) 7.277 2.691 ( 6.708 -2.817 -0.158) 7.277 2.849 ( -1.811 -5.294 -3.350) 6.521 2.849 ( 1.811 -5.294 3.350) 6.521 3.181 ( -7.792 -0.563 0.606) 7.836 3.181 ( 7.792 -0.563 -0.606) 7.836 3.256 ( 0.373 -1.275 -3.370) 3.622 3.256 ( -0.373 -1.275 3.370) 3.622 3.602 ( -7.142 -0.482 -5.000) 8.732 3.602 ( 7.142 -0.482 5.000) 8.732 3.936 ( -0.288 1.476 -5.718) 5.913 3.936 ( 0.288 1.476 5.718) 5.913 3.979 ( 1.033 7.789 -2.484) 8.240 3.979 ( -1.033 7.789 2.484) 8.240 4.246 ( -4.494 1.023 -3.472) 5.771 4.246 ( 4.494 1.023 3.472) 5.771 4.784 ( -4.570 8.019 -0.245) 9.233 4.784 ( 4.570 8.019 0.245) 9.233 4.882 ( -3.489 -0.750 -3.416) 4.940 4.882 ( 3.489 -0.750 3.416) 4.940 5.115 ( -2.272 -0.662 -10.593) 10.854 5.115 ( 2.272 -0.662 10.593) 10.854 5.236 ( -1.493 -2.554 -6.531) 7.170 5.236 ( 1.493 -2.554 6.531) 7.170 5.500 ( -0.551 1.548 -1.666) 2.340 5.500 ( 0.551 1.548 1.666) 2.340 5.573 ( 3.274 1.438 -3.844) 5.250 5.573 ( -3.274 1.438 3.844) 5.250 5.830 ( -3.560 0.102 -2.354) 4.269 5.830 ( 3.560 0.102 2.354) 4.269 5.966 ( -1.582 -1.320 -2.056) 2.911 5.966 ( 1.582 -1.320 2.056) 2.911 6.048 ( 0.855 -2.274 -0.822) 2.564 6.048 ( -0.855 -2.274 0.822) 2.564 6.174 ( -7.589 -1.202 -0.488) 7.700 6.174 ( 7.589 -1.202 0.488) 7.700 6.394 ( -5.553 -3.689 -2.211) 7.024 6.394 ( 5.553 -3.689 2.211) 7.024 6.968 ( 1.726 -2.146 -7.802) 8.273 6.968 ( -1.726 -2.146 7.802) 8.273 7.253 ( 3.371 1.765 -9.058) 9.825 7.253 ( -3.371 1.765 9.058) 9.825 12.148 ( -1.011 -0.350 -1.419) 1.777 12.148 ( 1.011 -0.350 1.419) 1.777 12.523 ( 2.684 -0.967 -2.774) 3.979 12.523 ( -2.684 -0.967 2.774) 3.979 13.345 ( -0.636 1.640 -0.951) 2.000 13.345 ( 0.636 1.640 0.951) 2.000 13.735 ( -6.803 -0.920 -0.138) 6.867 13.735 ( 6.803 -0.920 0.138) 6.867 16.901 ( -4.870 1.237 -2.850) 5.776 16.901 ( 4.870 1.237 2.850) 5.776 16.986 ( -0.032 -0.142 -1.506) 1.513 16.986 ( 0.032 -0.142 1.506) 1.513 17.171 ( -4.856 -0.622 -2.082) 5.320 17.171 ( 4.856 -0.622 2.082) 5.320 17.766 ( 1.273 0.098 -0.836) 1.526 17.766 ( -1.273 0.098 0.836) 1.526 18.567 ( -2.514 1.261 -0.713) 2.902 18.567 ( 2.514 1.261 0.713) 2.902 18.870 ( -2.663 -0.054 -0.573) 2.724 18.870 ( 2.663 -0.054 0.573) 2.724 28.274 ( -2.817 0.809 -3.822) 4.817 28.274 ( 2.817 0.809 3.822) 4.817 28.455 ( -3.158 -1.498 -1.490) 3.800 28.455 ( 3.158 -1.498 1.490) 3.800 29.983 ( 3.009 0.100 -5.748) 6.489 29.983 ( -3.009 0.100 5.748) 6.489 30.480 ( -1.189 -1.700 -9.664) 9.884 30.480 ( 1.189 -1.700 9.664) 9.884 32.133 ( -1.816 -1.004 -1.287) 2.442 32.133 ( 1.816 -1.004 1.287) 2.442 32.939 ( -3.523 -1.992 -3.784) 5.541 32.939 ( 3.523 -1.992 3.784) 5.541 33.811 ( -1.411 13.140 -11.752) 17.684 33.811 ( 1.411 13.140 11.752) 17.684 35.283 ( -0.032 -9.522 -30.158) 31.626 35.283 ( 0.032 -9.522 30.158) 31.626 ======================= Grid point 195 (95/104) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -2.526 12.491 -8.285) 15.200 1.455 ( 2.526 12.491 8.285) 15.200 1.934 ( -0.687 10.028 -4.380) 10.965 1.934 ( 0.687 10.028 4.380) 10.965 2.195 ( 4.833 -8.461 -4.819) 10.871 2.195 ( -4.833 -8.461 4.819) 10.871 2.387 ( -10.355 -4.634 0.370) 11.350 2.387 ( 10.355 -4.634 -0.370) 11.350 2.673 ( 1.122 -2.074 -7.740) 8.091 2.673 ( -1.122 -2.074 7.740) 8.091 3.064 ( 0.437 -0.015 -6.369) 6.384 3.064 ( -0.437 -0.015 6.369) 6.384 3.283 ( 1.609 -3.941 -8.608) 9.604 3.283 ( -1.609 -3.941 8.608) 9.604 3.496 ( -0.161 -5.928 -2.040) 6.272 3.496 ( 0.161 -5.928 2.040) 6.272 3.997 ( -7.411 6.394 -1.429) 9.892 3.997 ( 7.411 6.394 1.429) 9.892 4.226 ( 2.161 1.666 -2.357) 3.605 4.226 ( -2.161 1.666 2.357) 3.605 4.539 ( -1.015 2.655 -3.116) 4.218 4.539 ( 1.015 2.655 3.116) 4.218 4.734 ( -2.017 0.236 -2.599) 3.298 4.734 ( 2.017 0.236 2.599) 3.298 4.801 ( -5.367 -4.168 -6.799) 9.612 4.801 ( 5.367 -4.168 6.799) 9.612 5.026 ( -1.167 4.918 -5.713) 7.628 5.026 ( 1.167 4.918 5.713) 7.628 5.226 ( -0.696 5.245 -1.380) 5.468 5.226 ( 0.696 5.245 1.380) 5.468 5.523 ( 1.665 1.332 -5.728) 6.112 5.523 ( -1.665 1.332 5.728) 6.112 5.615 ( 0.402 -3.140 -7.373) 8.024 5.615 ( -0.402 -3.140 7.373) 8.024 5.768 ( -1.129 -1.788 -5.970) 6.333 5.768 ( 1.129 -1.788 5.970) 6.333 6.009 ( -1.933 1.543 -3.173) 4.023 6.009 ( 1.933 1.543 3.173) 4.023 6.179 ( 0.300 5.260 -6.857) 8.647 6.179 ( -0.300 5.260 6.857) 8.647 6.410 ( -1.825 -4.655 -0.657) 5.043 6.410 ( 1.825 -4.655 0.657) 5.043 6.550 ( -9.415 -7.254 -2.317) 12.109 6.550 ( 9.415 -7.254 2.317) 12.109 7.010 ( -2.975 0.511 -4.752) 5.629 7.010 ( 2.975 0.511 4.752) 5.629 7.127 ( 6.033 -0.957 -3.273) 6.931 7.127 ( -6.033 -0.957 3.273) 6.931 11.963 ( 0.249 0.325 -0.524) 0.665 11.963 ( -0.249 0.325 0.524) 0.665 12.622 ( 0.211 -0.690 -1.770) 1.911 12.622 ( -0.211 -0.690 1.770) 1.911 13.048 ( 0.114 0.341 -1.419) 1.464 13.048 ( -0.114 0.341 1.419) 1.464 13.969 ( -1.335 0.335 -2.031) 2.453 13.969 ( 1.335 0.335 2.031) 2.453 16.791 ( -0.619 0.365 -0.401) 0.823 16.791 ( 0.619 0.365 0.401) 0.823 16.977 ( 0.519 -1.669 -1.816) 2.520 16.977 ( -0.519 -1.669 1.816) 2.520 17.285 ( -0.256 -0.532 -0.566) 0.818 17.285 ( 0.256 -0.532 0.566) 0.818 17.737 ( -0.335 -0.239 -0.601) 0.728 17.737 ( 0.335 -0.239 0.601) 0.728 18.656 ( -0.156 2.155 -0.360) 2.190 18.656 ( 0.156 2.155 0.360) 2.190 18.848 ( -1.968 0.289 -1.568) 2.533 18.848 ( 1.968 0.289 1.568) 2.533 28.193 ( -0.936 0.253 -0.144) 0.980 28.193 ( 0.936 0.253 0.144) 0.980 28.544 ( 0.371 -1.518 -0.464) 1.630 28.544 ( -0.371 -1.518 0.464) 1.630 30.104 ( 0.931 1.086 -3.936) 4.188 30.104 ( -0.931 1.086 3.936) 4.188 30.594 ( 9.024 -9.662 -6.118) 14.567 30.594 ( -9.024 -9.662 6.118) 14.567 32.121 ( -1.785 1.051 -1.400) 2.500 32.121 ( 1.785 1.051 1.400) 2.500 32.785 ( -6.317 -2.995 -4.165) 8.138 32.785 ( 6.317 -2.995 4.165) 8.138 33.893 ( -5.577 6.350 -1.223) 8.539 33.893 ( 5.577 6.350 1.223) 8.539 34.748 ( -14.109 5.515 2.519) 15.357 34.748 ( 14.109 5.515 -2.519) 15.357 ======================= Grid point 197 (96/104) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 3.917 16.737 -8.733) 19.280 1.576 ( 4.181 4.446 2.839) 6.732 1.811 ( -5.065 3.689 -4.459) 7.690 1.941 ( 0.738 8.534 -5.791) 10.339 2.152 ( -4.888 11.654 -1.543) 12.732 2.224 ( 0.272 -7.566 7.317) 10.529 2.354 ( 10.652 -2.613 -2.068) 11.161 2.498 ( 6.847 -11.085 -7.693) 15.131 2.680 ( 0.973 -3.361 1.631) 3.860 2.767 ( 1.672 -8.160 4.393) 9.417 3.055 ( 0.382 1.932 2.621) 3.279 3.194 ( 4.989 0.560 0.586) 5.054 3.244 ( 3.473 -1.626 -3.204) 4.997 3.368 ( 3.067 -2.603 4.954) 6.381 3.509 ( 3.140 -5.092 -1.702) 6.220 3.545 ( 4.892 -6.734 -0.150) 8.325 3.857 ( -4.187 6.489 -2.066) 7.994 4.044 ( -8.054 1.588 0.231) 8.212 4.135 ( 1.038 3.139 -3.248) 4.635 4.269 ( 0.480 -0.648 -3.988) 4.069 4.465 ( -1.434 4.853 -3.291) 6.037 4.544 ( -1.317 5.562 -4.340) 7.176 4.656 ( -0.372 1.037 -3.528) 3.697 4.709 ( -0.469 -2.131 0.992) 2.397 4.798 ( 1.464 -1.662 1.772) 2.836 4.941 ( 4.508 -4.313 0.671) 6.274 5.015 ( 1.532 4.116 0.962) 4.496 5.134 ( 2.105 4.572 4.566) 6.796 5.258 ( 2.504 7.298 1.658) 7.892 5.297 ( 7.716 0.588 -0.090) 7.739 5.488 ( -1.345 -2.331 -5.825) 6.417 5.517 ( -1.649 -1.994 -4.103) 4.850 5.574 ( 0.283 1.501 4.704) 4.946 5.655 ( -0.229 -4.410 1.459) 4.651 5.698 ( 0.258 2.345 -0.650) 2.448 5.777 ( -2.032 -4.332 -2.945) 5.618 5.918 ( -3.763 2.583 -2.432) 5.172 6.006 ( -4.109 -1.411 0.442) 4.367 6.134 ( -1.051 3.044 -4.003) 5.138 6.237 ( -0.423 7.265 3.903) 8.258 6.290 ( -13.231 -3.404 -1.025) 13.701 6.354 ( -4.083 -1.729 2.616) 5.148 6.450 ( -0.639 -5.787 1.853) 6.109 6.671 ( 3.967 -9.569 -1.341) 10.445 6.837 ( -8.997 3.206 1.801) 9.720 6.986 ( -7.617 -2.534 2.356) 8.366 7.177 ( 3.645 1.519 2.997) 4.958 7.253 ( 4.605 -1.125 6.237) 7.834 11.976 ( 1.844 0.582 0.181) 1.942 11.997 ( 3.076 -0.303 -0.415) 3.119 12.598 ( -1.309 -0.294 -1.356) 1.908 12.618 ( -1.909 -1.145 2.066) 3.037 13.076 ( 4.038 0.810 -1.375) 4.342 13.099 ( 4.356 -0.249 1.031) 4.483 13.904 ( -3.929 2.120 -1.658) 4.762 13.983 ( -1.733 -1.414 1.942) 2.962 16.775 ( -0.621 1.210 0.365) 1.408 16.816 ( 1.412 -0.544 0.949) 1.786 16.980 ( 1.372 -1.075 -1.678) 2.420 16.991 ( 0.382 -1.275 0.911) 1.613 17.268 ( -0.873 -0.361 -0.552) 1.094 17.285 ( -0.495 -0.886 -0.991) 1.419 17.724 ( -0.423 0.165 -0.149) 0.478 17.750 ( 0.502 -0.630 0.700) 1.067 18.632 ( -1.632 2.877 0.759) 3.393 18.691 ( 1.986 0.896 0.337) 2.204 18.794 ( -2.163 2.161 -1.573) 3.439 18.887 ( 0.777 -1.242 1.367) 2.004 28.185 ( 0.005 1.030 0.303) 1.073 28.223 ( 1.921 -0.666 0.495) 2.093 28.519 ( -1.630 -0.902 -1.056) 2.142 28.544 ( -0.071 -1.796 -1.138) 2.128 30.073 ( -0.862 1.200 -2.702) 3.079 30.107 ( -2.216 0.203 2.763) 3.548 30.477 ( -7.371 -2.601 5.993) 9.850 30.689 ( 4.660 -15.252 -6.907) 17.379 32.088 ( -0.357 1.203 -0.783) 1.479 32.153 ( 0.664 -1.342 -1.263) 1.959 32.750 ( 3.373 4.721 3.857) 6.967 32.993 ( 8.036 -6.201 6.644) 12.131 33.680 ( -11.229 10.223 1.801) 15.292 33.968 ( 0.371 -2.074 0.686) 2.216 34.581 ( -2.021 16.246 -2.497) 16.561 35.025 ( 17.749 -3.982 -9.718) 20.623 ======================= Grid point 198 (97/104) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.390 13.140 -12.314) 18.012 1.675 ( -2.147 0.508 -6.015) 6.407 1.758 ( 10.458 2.573 6.824) 12.750 1.957 ( 9.313 7.737 -11.921) 16.991 2.178 ( 2.027 5.995 6.913) 9.373 2.258 ( -2.642 2.789 5.538) 6.740 2.546 ( 10.558 2.372 -3.593) 11.402 2.603 ( 8.593 -10.231 -6.367) 14.800 2.698 ( 2.294 -2.714 5.796) 6.799 2.819 ( -0.080 -9.502 3.807) 10.237 3.048 ( -4.268 -1.214 4.641) 6.421 3.164 ( -0.270 -3.075 -7.914) 8.494 3.346 ( 0.226 5.242 1.635) 5.496 3.426 ( 2.665 0.286 -1.499) 3.071 3.517 ( -1.268 -3.820 -2.907) 4.965 3.658 ( 2.105 -3.283 -2.655) 4.718 3.841 ( 5.173 5.180 -1.635) 7.501 3.926 ( 0.209 -1.232 3.080) 3.324 4.106 ( -1.994 0.054 -4.911) 5.300 4.190 ( -2.378 -2.534 -4.705) 5.849 4.424 ( -2.041 6.441 -2.181) 7.100 4.493 ( 0.251 4.480 -5.366) 6.994 4.664 ( 3.759 3.624 -1.507) 5.434 4.760 ( 4.033 -2.714 -0.323) 4.871 4.821 ( -0.710 -2.084 2.890) 3.633 4.990 ( 3.390 4.422 -3.235) 6.443 5.043 ( -0.865 1.720 1.038) 2.187 5.130 ( -0.402 4.814 -2.134) 5.281 5.293 ( -0.712 -3.324 -3.537) 4.906 5.388 ( -4.083 -3.143 -8.340) 9.803 5.454 ( 6.740 -3.348 2.917) 8.071 5.513 ( 3.681 -2.311 2.477) 5.003 5.616 ( -3.802 3.759 0.716) 5.395 5.666 ( 1.662 0.960 2.841) 3.429 5.717 ( 4.591 1.277 -2.561) 5.409 5.736 ( 0.216 0.563 2.657) 2.724 5.871 ( -1.086 0.068 -0.937) 1.436 5.931 ( -1.944 -2.824 -1.449) 3.722 6.021 ( -6.581 0.740 -0.960) 6.692 6.116 ( -4.068 0.582 1.232) 4.290 6.148 ( -8.541 -0.657 0.221) 8.569 6.301 ( -5.977 -0.538 0.922) 6.072 6.482 ( -1.788 -1.328 7.021) 7.365 6.671 ( -5.304 -7.628 -1.140) 9.361 6.732 ( -3.392 2.815 4.971) 6.644 6.881 ( -1.270 -3.744 -1.783) 4.337 7.247 ( -0.076 2.937 6.265) 6.919 7.351 ( -1.293 -0.730 8.190) 8.324 12.029 ( 3.409 0.549 0.204) 3.459 12.062 ( 4.118 -0.935 -0.754) 4.290 12.555 ( -2.106 -0.097 -1.018) 2.341 12.587 ( -3.284 -1.437 2.209) 4.211 13.165 ( 6.502 1.458 -1.473) 6.824 13.218 ( 7.227 -0.911 0.880) 7.337 13.802 ( -5.449 3.279 -1.193) 6.471 13.936 ( -4.784 -2.611 1.296) 5.602 16.785 ( 1.294 2.051 0.946) 2.603 16.866 ( 2.560 -1.401 2.037) 3.559 16.987 ( 0.896 -0.198 -2.202) 2.386 17.006 ( 0.890 -0.744 0.049) 1.161 17.217 ( -3.620 0.681 -2.013) 4.197 17.266 ( -0.783 -1.731 -0.749) 2.043 17.727 ( 0.729 0.584 0.174) 0.950 17.766 ( 0.432 -0.699 0.754) 1.115 18.605 ( -1.725 3.488 0.506) 3.924 18.702 ( -1.929 -0.826 -0.227) 2.110 18.775 ( 1.789 3.198 -0.135) 3.667 18.899 ( -0.400 -1.990 0.868) 2.207 28.199 ( 0.923 1.609 0.948) 2.083 28.272 ( 2.708 -1.681 0.767) 3.278 28.466 ( -2.394 0.260 -2.710) 3.625 28.522 ( -1.061 -2.039 -1.584) 2.791 30.031 ( -1.045 0.834 -2.791) 3.095 30.069 ( -4.020 -0.357 2.739) 4.877 30.423 ( -3.884 0.507 5.693) 6.911 30.638 ( -2.321 -11.980 -8.176) 14.689 32.084 ( 0.239 0.640 -0.653) 0.945 32.146 ( 0.334 -1.973 -1.212) 2.339 32.858 ( 1.296 5.681 3.071) 6.587 33.090 ( -2.190 -3.841 2.586) 5.122 33.633 ( 3.293 10.894 7.819) 13.808 34.073 ( 8.146 -5.894 8.871) 13.409 34.581 ( 3.848 16.344 -3.226) 17.097 35.203 ( 11.861 -10.095 -14.813) 21.494 ======================= Grid point 199 (98/104) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 7.371 13.293 -7.146) 16.795 1.582 ( -4.608 5.077 -0.782) 6.901 2.045 ( 9.995 9.005 -13.119) 18.791 2.070 ( 14.869 -5.434 5.135) 16.643 2.212 ( -6.309 3.208 4.899) 8.608 2.290 ( 4.152 -0.560 6.832) 8.014 2.612 ( 1.463 -8.849 -1.690) 9.127 2.667 ( -0.944 -1.035 -2.029) 2.465 2.801 ( 0.875 0.130 -1.291) 1.565 2.906 ( 5.839 -3.944 3.807) 8.009 2.978 ( -6.183 -0.578 4.922) 7.924 3.112 ( 2.401 -8.245 -4.857) 9.866 3.283 ( -3.528 2.862 -0.631) 4.586 3.381 ( -9.381 -0.621 -0.718) 9.429 3.493 ( 6.252 3.868 -1.896) 7.592 3.660 ( 3.734 -0.484 -4.405) 5.795 3.942 ( 2.602 2.555 -0.188) 3.652 4.017 ( -2.511 -0.782 -2.738) 3.796 4.031 ( 4.777 1.980 -1.639) 5.425 4.113 ( -2.282 -1.275 -0.155) 2.619 4.346 ( -3.997 6.609 -1.552) 7.878 4.414 ( -3.198 2.474 -7.724) 8.719 4.767 ( 5.426 0.964 2.182) 5.927 4.837 ( 5.266 -3.746 -3.306) 7.259 4.843 ( 3.132 4.016 0.475) 5.115 5.013 ( -1.521 7.190 1.443) 7.489 5.048 ( 3.636 2.366 0.578) 4.376 5.151 ( 0.485 0.400 1.835) 1.939 5.212 ( -3.001 -3.396 -9.429) 10.462 5.243 ( -1.087 -4.238 -3.641) 5.692 5.472 ( -2.567 4.604 0.295) 5.279 5.602 ( -0.815 0.099 1.765) 1.947 5.642 ( 1.373 1.709 4.300) 4.827 5.672 ( -3.978 -0.196 2.680) 4.801 5.727 ( 2.824 2.955 -3.694) 5.509 5.837 ( 1.516 -1.413 -0.113) 2.076 5.881 ( 9.149 -0.217 -0.000) 9.152 5.906 ( 0.181 -6.273 -0.303) 6.283 5.975 ( -0.481 1.452 -1.352) 2.042 6.019 ( -4.851 -0.879 2.703) 5.622 6.085 ( -0.797 -1.661 0.553) 1.924 6.205 ( -3.370 -2.114 1.592) 4.285 6.381 ( -11.275 -1.449 3.058) 11.772 6.479 ( -11.874 -6.616 -0.617) 13.607 6.824 ( 5.490 0.624 5.620) 7.881 6.913 ( 4.513 -2.639 -2.725) 5.896 7.275 ( -2.632 2.339 6.520) 7.410 7.340 ( -4.860 0.217 4.412) 6.568 12.096 ( 3.253 0.298 0.359) 3.287 12.124 ( 2.940 -0.981 -0.975) 3.249 12.512 ( -1.288 -0.269 -1.082) 1.704 12.539 ( -3.576 -1.399 2.096) 4.375 13.282 ( 7.026 2.277 -1.211) 7.484 13.357 ( 5.805 -0.785 0.740) 5.904 13.701 ( -3.688 2.674 -0.555) 4.589 13.832 ( -6.874 -2.856 0.432) 7.456 16.841 ( 3.456 2.430 1.759) 4.576 16.935 ( 2.249 -1.479 2.668) 3.790 16.981 ( 0.214 0.273 -1.855) 1.888 17.014 ( 0.196 -1.149 -2.255) 2.539 17.133 ( -2.373 2.240 -0.918) 3.390 17.227 ( -2.764 -2.164 -0.977) 3.644 17.748 ( 1.291 0.584 0.017) 1.417 17.775 ( -0.184 -0.326 0.603) 0.709 18.587 ( -0.390 3.028 0.325) 3.071 18.648 ( -2.818 0.551 -0.571) 2.927 18.821 ( 2.310 0.887 0.632) 2.554 18.890 ( -1.084 -1.700 0.204) 2.027 28.236 ( 1.811 1.818 1.905) 3.196 28.328 ( 2.017 -2.485 0.325) 3.217 28.396 ( -1.662 1.500 -2.761) 3.554 28.478 ( -2.156 -2.211 -1.695) 3.523 29.994 ( -0.346 0.422 -2.552) 2.609 30.016 ( -3.610 -0.237 2.302) 4.288 30.417 ( -1.882 0.316 5.453) 5.777 30.520 ( -2.389 -5.381 -7.211) 9.309 32.090 ( 0.981 0.315 -0.232) 1.057 32.139 ( -0.557 -1.741 -0.641) 1.938 32.864 ( -0.376 2.559 1.400) 2.941 33.008 ( -5.377 -3.276 -1.739) 6.532 33.865 ( 9.663 13.787 12.311) 20.858 34.241 ( 1.360 8.731 -1.663) 8.991 34.734 ( 9.652 -3.232 12.713) 16.286 35.211 ( 3.707 -13.451 -18.469) 23.146 ======================= Grid point 200 (99/104) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -3.154 11.258 -1.145) 11.748 1.462 ( 3.154 11.258 1.145) 11.748 2.115 ( 8.340 4.972 -8.813) 13.112 2.115 ( -8.340 4.972 8.813) 13.112 2.343 ( -6.208 -6.119 -0.664) 8.742 2.343 ( 6.208 -6.118 0.664) 8.742 2.603 ( 0.528 -7.346 -2.296) 7.715 2.603 ( -0.528 -7.346 2.296) 7.715 2.823 ( -0.852 4.241 -4.585) 6.303 2.823 ( 0.852 4.241 4.585) 6.303 3.086 ( -3.498 -7.565 -2.801) 8.793 3.086 ( 3.498 -7.565 2.801) 8.793 3.265 ( -0.070 0.572 -2.158) 2.233 3.265 ( 0.070 0.572 2.158) 2.233 3.630 ( -3.953 2.215 -3.529) 5.743 3.630 ( 3.953 2.215 3.529) 5.743 3.946 ( 1.963 0.736 -3.891) 4.420 3.946 ( -1.963 0.736 3.891) 4.420 4.096 ( 2.532 2.112 -2.524) 4.152 4.096 ( -2.532 2.112 2.524) 4.152 4.309 ( -0.478 4.692 -4.119) 6.262 4.309 ( 0.478 4.692 4.119) 6.262 4.841 ( -0.666 -2.847 -2.454) 3.817 4.841 ( 0.666 -2.847 2.454) 3.817 4.975 ( -5.451 8.569 -0.875) 10.194 4.975 ( 5.451 8.569 0.875) 10.194 5.106 ( -1.852 0.017 -6.026) 6.304 5.106 ( 1.852 0.017 6.026) 6.304 5.192 ( -0.977 -1.450 -4.782) 5.092 5.192 ( 0.977 -1.450 4.782) 5.092 5.530 ( -6.494 2.587 0.261) 6.995 5.530 ( 6.494 2.587 -0.261) 6.995 5.608 ( -1.748 0.956 -0.876) 2.177 5.608 ( 1.748 0.956 0.876) 2.177 5.840 ( 0.586 -1.895 -3.275) 3.829 5.840 ( -0.586 -1.895 3.275) 3.829 5.911 ( 2.195 -1.445 -2.478) 3.612 5.911 ( -2.195 -1.445 2.478) 3.612 6.011 ( 0.353 -0.756 -2.487) 2.623 6.011 ( -0.353 -0.756 2.487) 2.623 6.149 ( -9.406 -0.907 0.572) 9.467 6.149 ( 9.406 -0.907 -0.572) 9.467 6.286 ( -1.950 -6.166 -2.871) 7.076 6.286 ( 1.950 -6.166 2.871) 7.076 6.935 ( -0.887 -0.843 -3.125) 3.356 6.935 ( 0.887 -0.843 3.125) 3.356 7.285 ( 0.459 1.109 -4.004) 4.180 7.285 ( -0.459 1.109 4.004) 4.180 12.140 ( -0.564 -0.318 -0.760) 0.999 12.140 ( 0.564 -0.318 0.760) 0.999 12.502 ( 1.624 -0.908 -1.631) 2.474 12.502 ( -1.624 -0.908 1.631) 2.474 13.385 ( -0.840 1.951 -1.147) 2.414 13.385 ( 0.840 1.951 1.147) 2.414 13.710 ( -3.917 -1.265 -0.770) 4.188 13.710 ( 3.917 -1.265 0.770) 4.188 16.932 ( -3.420 1.668 -2.759) 4.700 16.932 ( 3.420 1.668 2.759) 4.700 16.980 ( -0.328 -0.514 -2.577) 2.648 16.980 ( 0.328 -0.514 2.577) 2.648 17.155 ( -3.332 -0.744 -1.098) 3.586 17.155 ( 3.332 -0.744 1.098) 3.586 17.768 ( 0.322 0.140 -0.338) 0.488 17.768 ( -0.322 0.140 0.338) 0.488 18.601 ( -1.401 1.793 -0.562) 2.344 18.601 ( 1.401 1.793 0.562) 2.344 18.863 ( -1.582 -0.649 -0.441) 1.766 18.863 ( 1.582 -0.649 0.441) 1.766 28.296 ( -2.207 1.178 -2.927) 3.850 28.296 ( 2.207 1.178 2.927) 3.850 28.418 ( -2.431 -1.776 -1.518) 3.372 28.418 ( 2.431 -1.776 1.518) 3.372 29.985 ( 1.922 0.074 -3.497) 3.992 29.985 ( -1.922 0.074 3.497) 3.992 30.445 ( 0.042 -1.452 -5.879) 6.056 30.445 ( -0.042 -1.452 5.879) 6.056 32.115 ( -0.937 -0.653 -0.780) 1.383 32.115 ( 0.937 -0.653 0.780) 1.383 32.905 ( -2.729 -1.118 -2.745) 4.029 32.905 ( 2.729 -1.118 2.745) 4.029 34.122 ( -3.310 15.465 -14.146) 21.218 34.122 ( 3.310 15.465 14.146) 21.218 35.035 ( -2.230 -13.287 -23.384) 26.988 35.035 ( 2.230 -13.287 23.384) 26.988 ======================= Grid point 205 (100/104) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.000 -0.000 0.000) 0.000 1.678 ( -0.000 0.000 0.000) 0.000 1.919 ( 0.000 -0.000 -0.000) 0.000 1.919 ( 0.000 0.000 -0.000) 0.000 2.213 ( -0.000 0.000 -0.000) 0.000 2.213 ( 0.000 0.000 0.000) 0.000 2.227 ( -0.000 -0.000 -0.000) 0.000 2.227 ( -0.000 -0.000 0.000) 0.000 2.698 ( -0.000 -0.000 -0.000) 0.000 2.698 ( -0.000 0.000 0.000) 0.000 3.092 ( 0.000 -0.000 -0.000) 0.000 3.092 ( -0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 -0.000) 0.000 3.216 ( -0.000 0.000 0.000) 0.000 3.422 ( -0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 4.086 ( 0.000 -0.000 0.000) 0.000 4.086 ( 0.000 0.000 0.000) 0.000 4.211 ( -0.000 0.000 -0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.609 ( -0.000 0.000 -0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 4.714 ( -0.000 -0.000 -0.000) 0.000 4.714 ( -0.000 -0.000 0.000) 0.000 4.742 ( -0.000 0.000 -0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 5.089 ( 0.000 0.000 0.000) 0.000 5.089 ( -0.000 0.000 0.000) 0.000 5.289 ( 0.000 -0.000 -0.000) 0.000 5.289 ( -0.000 0.000 0.000) 0.000 5.551 ( -0.000 -0.000 -0.000) 0.000 5.551 ( -0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 -0.000) 0.000 5.566 ( 0.000 -0.000 0.000) 0.000 5.741 ( 0.000 -0.000 0.000) 0.000 5.741 ( -0.000 0.000 0.000) 0.000 6.031 ( -0.000 0.000 0.000) 0.000 6.031 ( -0.000 0.000 0.000) 0.000 6.260 ( -0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 6.352 ( 0.000 0.000 -0.000) 0.000 6.352 ( -0.000 0.000 0.000) 0.000 6.447 ( 0.000 0.000 -0.000) 0.000 6.447 ( -0.000 0.000 0.000) 0.000 7.018 ( 0.000 0.000 0.000) 0.000 7.018 ( 0.000 0.000 0.000) 0.000 7.117 ( -0.000 0.000 0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 11.967 ( -0.000 0.000 0.000) 0.000 11.967 ( -0.000 0.000 0.000) 0.000 12.615 ( -0.000 0.000 0.000) 0.000 12.615 ( -0.000 0.000 0.000) 0.000 13.051 ( 0.000 0.000 0.000) 0.000 13.051 ( -0.000 0.000 0.000) 0.000 13.973 ( 0.000 0.000 0.000) 0.000 13.973 ( 0.000 0.000 0.000) 0.000 16.795 ( -0.000 0.000 0.000) 0.000 16.795 ( -0.000 0.000 0.000) 0.000 16.960 ( -0.000 0.000 0.000) 0.000 16.960 ( 0.000 0.000 0.000) 0.000 17.279 ( -0.000 0.000 0.000) 0.000 17.279 ( 0.000 0.000 0.000) 0.000 17.734 ( -0.000 0.000 0.000) 0.000 17.734 ( 0.000 0.000 0.000) 0.000 18.679 ( 0.000 0.000 0.000) 0.000 18.679 ( -0.000 0.000 0.000) 0.000 18.852 ( 0.000 0.000 0.000) 0.000 18.852 ( -0.000 0.000 0.000) 0.000 28.197 ( -0.000 0.000 0.000) 0.000 28.197 ( -0.000 0.000 0.000) 0.000 28.527 ( -0.000 0.000 0.000) 0.000 28.527 ( -0.000 0.000 0.000) 0.000 30.119 ( -0.000 0.000 0.000) 0.000 30.119 ( -0.000 0.000 0.000) 0.000 30.488 ( 0.000 0.000 0.000) 0.000 30.488 ( 0.000 0.000 0.000) 0.000 32.133 ( -0.000 0.000 0.000) 0.000 32.133 ( -0.000 0.000 0.000) 0.000 32.754 ( 0.000 0.000 0.000) 0.000 32.754 ( 0.000 0.000 0.000) 0.000 33.955 ( 0.000 0.000 0.000) 0.000 33.955 ( 0.000 0.000 0.000) 0.000 34.810 ( 0.000 0.000 0.000) 0.000 34.810 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 209 (101/104) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.513 -1.493 -7.174) 7.346 1.655 ( 0.513 1.493 -7.174) 7.346 1.871 ( -4.178 -9.344 1.966) 10.423 1.871 ( -4.178 9.344 1.966) 10.423 2.261 ( 8.136 -11.195 -5.107) 14.752 2.261 ( 8.136 11.195 -5.107) 14.752 2.336 ( 6.443 -3.110 5.693) 9.143 2.336 ( 6.443 3.110 5.693) 9.143 2.647 ( -3.299 -2.859 1.207) 4.529 2.647 ( -3.299 2.859 1.207) 4.529 3.152 ( 1.412 -6.053 -5.884) 8.559 3.152 ( 1.412 6.053 -5.884) 8.559 3.277 ( 7.230 -5.213 7.753) 11.813 3.277 ( 7.230 5.213 7.753) 11.813 3.458 ( 3.564 -0.907 -0.523) 3.715 3.458 ( 3.564 0.907 -0.523) 3.715 3.989 ( -6.099 -5.649 -1.798) 8.505 3.989 ( -6.099 5.649 -1.798) 8.505 4.210 ( -1.057 -3.900 -4.722) 6.215 4.210 ( -1.057 3.900 -4.722) 6.215 4.589 ( -0.599 -5.756 -3.100) 6.565 4.589 ( -0.599 5.756 -3.100) 6.565 4.683 ( 0.714 -3.965 -1.959) 4.480 4.683 ( 0.714 3.965 -1.959) 4.480 4.795 ( 2.708 -4.009 3.133) 5.764 4.795 ( 2.708 4.009 3.133) 5.764 5.151 ( 4.301 -5.176 -0.047) 6.730 5.151 ( 4.301 5.176 -0.047) 6.730 5.322 ( 2.290 -3.343 0.924) 4.156 5.322 ( 2.290 3.343 0.924) 4.156 5.468 ( -4.533 -5.194 -6.565) 9.520 5.468 ( -4.533 5.194 -6.565) 9.520 5.601 ( 2.139 -2.048 2.731) 4.028 5.601 ( 2.139 2.048 2.731) 4.028 5.726 ( 0.027 -1.031 -0.216) 1.054 5.726 ( 0.027 1.031 -0.216) 1.054 5.969 ( -4.718 -2.308 -1.357) 5.425 5.969 ( -4.718 2.308 -1.357) 5.425 6.205 ( -6.083 -3.851 -2.609) 7.658 6.205 ( -6.083 3.851 -2.609) 7.658 6.342 ( -3.010 -2.664 -1.009) 4.144 6.342 ( -3.010 2.664 -1.009) 4.144 6.461 ( 2.547 -9.675 4.466) 10.956 6.461 ( 2.547 9.675 4.466) 10.956 6.917 ( -8.005 -3.953 1.574) 9.065 6.917 ( -8.005 3.953 1.574) 9.065 7.218 ( 3.653 -2.139 6.573) 7.819 7.218 ( 3.653 2.139 6.573) 7.819 11.988 ( 2.285 -0.542 -0.151) 2.353 11.988 ( 2.285 0.542 -0.151) 2.353 12.600 ( -1.626 -0.523 0.324) 1.739 12.600 ( -1.626 0.523 0.324) 1.739 13.090 ( 4.162 -0.576 -0.181) 4.205 13.090 ( 4.162 0.576 -0.181) 4.205 13.947 ( -2.810 -2.020 0.126) 3.463 13.947 ( -2.810 2.020 0.126) 3.463 16.799 ( 0.454 -1.076 0.467) 1.258 16.799 ( 0.454 1.076 0.467) 1.258 16.973 ( 1.221 -0.337 -0.113) 1.271 16.973 ( 1.221 0.337 -0.113) 1.271 17.270 ( -0.775 -0.466 -0.732) 1.163 17.270 ( -0.775 0.466 -0.732) 1.163 17.735 ( 0.059 -0.777 0.341) 0.851 17.735 ( 0.059 0.777 0.341) 0.851 18.680 ( -0.251 -1.663 0.370) 1.722 18.680 ( -0.251 1.663 0.370) 1.722 18.848 ( -0.419 -2.556 0.122) 2.593 18.848 ( -0.419 2.556 0.122) 2.593 28.206 ( 0.868 -0.941 0.386) 1.336 28.206 ( 0.868 0.941 0.386) 1.336 28.517 ( -0.646 -0.686 -1.071) 1.426 28.517 ( -0.646 0.686 -1.071) 1.426 30.099 ( -2.033 -1.058 0.138) 2.296 30.099 ( -2.033 1.058 0.138) 2.296 30.488 ( 0.156 -4.594 -0.998) 4.704 30.488 ( 0.156 4.594 -0.998) 4.704 32.120 ( -0.425 -1.754 -1.327) 2.240 32.120 ( -0.425 1.754 -1.327) 2.240 32.863 ( 6.903 -6.116 5.928) 10.964 32.863 ( 6.903 6.116 5.928) 10.964 33.862 ( -7.183 -7.390 1.541) 10.420 33.862 ( -7.183 7.390 1.541) 10.420 34.872 ( 7.603 -11.103 -6.099) 14.774 34.872 ( 7.603 11.103 -6.099) 14.774 ======================= Grid point 211 (102/104) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 0.748 -8.732 -10.474) 13.657 1.577 ( 0.748 8.732 -10.474) 13.657 1.890 ( 3.334 -9.396 4.599) 10.979 1.890 ( 3.334 9.396 4.599) 10.979 2.323 ( 4.356 -12.174 -7.740) 15.070 2.323 ( 4.356 12.174 -7.740) 15.070 2.537 ( 3.332 -11.596 10.541) 16.022 2.537 ( 3.332 11.596 10.541) 16.022 2.670 ( 6.400 -6.126 1.899) 9.061 2.670 ( 6.400 6.126 1.899) 9.061 3.077 ( -3.903 -4.361 -3.989) 7.082 3.077 ( -3.903 4.361 -3.989) 7.082 3.424 ( 0.954 -1.211 -0.480) 1.615 3.424 ( 0.954 1.211 -0.480) 1.615 3.539 ( 4.696 -6.353 0.045) 7.901 3.539 ( 4.696 6.353 0.045) 7.901 3.911 ( 1.185 -1.473 -0.853) 2.075 3.911 ( 1.185 1.473 -0.853) 2.075 4.126 ( -2.088 -2.476 -4.736) 5.737 4.126 ( -2.088 2.476 -4.736) 5.737 4.533 ( -3.012 -2.519 -2.469) 4.639 4.533 ( -3.012 2.519 -2.469) 4.639 4.703 ( 3.526 -1.998 -3.381) 5.278 4.703 ( 3.526 1.998 -3.381) 5.278 4.893 ( 5.101 -8.253 1.555) 9.827 4.893 ( 5.101 8.253 1.555) 9.827 5.172 ( -0.494 -7.593 -4.726) 8.957 5.172 ( -0.494 7.593 -4.726) 8.957 5.268 ( -3.276 -7.465 -5.900) 10.063 5.268 ( -3.276 7.465 -5.900) 10.063 5.464 ( 3.884 -3.056 5.196) 7.171 5.464 ( 3.884 3.056 5.196) 7.171 5.678 ( 2.613 -2.142 2.996) 4.516 5.678 ( 2.613 2.142 2.996) 4.516 5.741 ( 2.376 -4.033 -2.528) 5.320 5.741 ( 2.376 4.033 -2.528) 5.320 5.876 ( -3.053 -1.528 -1.780) 3.850 5.876 ( -3.053 1.529 -1.780) 3.850 6.056 ( -7.105 -2.904 0.222) 7.679 6.056 ( -7.105 2.904 0.222) 7.679 6.233 ( -6.300 -5.164 -0.665) 8.172 6.233 ( -6.300 5.164 -0.665) 8.172 6.531 ( -3.106 -5.456 4.175) 7.539 6.531 ( -3.106 5.456 4.175) 7.539 6.803 ( -3.209 -3.781 2.093) 5.382 6.803 ( -3.209 3.781 2.093) 5.382 7.310 ( -0.739 -2.882 8.043) 8.575 7.310 ( -0.739 2.882 8.043) 8.575 12.043 ( 3.619 -0.843 -0.321) 3.730 12.043 ( 3.619 0.843 -0.321) 3.730 12.563 ( -2.707 -0.831 0.561) 2.886 12.563 ( -2.707 0.831 0.561) 2.886 13.195 ( 6.907 -1.357 -0.213) 7.043 13.195 ( 6.907 1.357 -0.213) 7.043 13.873 ( -5.143 -3.413 -0.025) 6.173 13.873 ( -5.143 3.413 -0.025) 6.173 16.829 ( 2.045 -2.103 1.203) 3.170 16.829 ( 2.045 2.103 1.203) 3.170 16.992 ( 1.049 -0.566 -0.894) 1.490 16.992 ( 1.049 0.566 -0.894) 1.490 17.236 ( -2.074 -1.189 -1.126) 2.643 17.236 ( -2.074 1.189 -1.126) 2.643 17.746 ( 0.675 -1.146 0.579) 1.451 17.746 ( 0.675 1.146 0.579) 1.451 18.668 ( -1.438 -2.483 0.359) 2.892 18.668 ( -1.438 2.483 0.359) 2.892 18.844 ( -0.007 -3.286 0.167) 3.290 18.844 ( -0.007 3.286 0.167) 3.290 28.235 ( 1.651 -1.834 0.788) 2.590 28.235 ( 1.651 1.834 0.788) 2.590 28.484 ( -1.434 -1.509 -2.007) 2.892 28.484 ( -1.434 1.509 -2.007) 2.892 30.053 ( -2.658 -1.129 -0.166) 2.893 30.053 ( -2.658 1.129 -0.166) 2.893 30.470 ( -1.028 -4.711 -1.142) 4.955 30.470 ( -1.028 4.711 -1.142) 4.955 32.107 ( 0.090 -1.629 -0.764) 1.801 32.107 ( 0.090 1.629 -0.764) 1.801 32.982 ( -0.337 -6.068 2.458) 6.556 32.982 ( -0.337 6.068 2.458) 6.556 33.871 ( 5.470 -11.662 9.768) 16.166 33.871 ( 5.470 11.662 9.768) 16.166 34.935 ( 5.662 -15.918 -10.296) 19.785 34.935 ( 5.662 15.918 -10.296) 19.785 ======================= Grid point 213 (103/104) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 5.009 -7.957 -5.791) 11.042 1.564 ( 5.009 7.957 -5.791) 11.042 2.019 ( 4.066 -5.081 5.888) 8.776 2.019 ( 4.066 5.081 5.888) 8.776 2.333 ( 4.208 -13.650 -6.563) 15.719 2.333 ( 4.208 13.650 -6.563) 15.719 2.567 ( -3.764 -13.091 2.008) 13.769 2.567 ( -3.764 13.091 2.008) 13.769 2.860 ( 6.052 -5.320 5.921) 10.000 2.860 ( 6.052 5.320 5.921) 10.000 2.971 ( -3.252 -1.791 -2.741) 4.614 2.971 ( -3.252 1.791 -2.741) 4.614 3.338 ( -6.616 -2.694 -0.655) 7.173 3.338 ( -6.616 2.694 -0.655) 7.173 3.607 ( 5.325 -5.012 -3.577) 8.140 3.607 ( 5.325 5.012 -3.577) 8.140 3.979 ( 1.242 -1.865 0.021) 2.241 3.979 ( 1.242 1.865 0.021) 2.241 4.079 ( 1.457 -2.171 -1.697) 3.117 4.079 ( 1.457 2.171 -1.697) 3.117 4.436 ( -4.000 -1.801 -3.616) 5.685 4.436 ( -4.000 1.801 -3.616) 5.685 4.761 ( 4.357 -1.765 -1.846) 5.050 4.761 ( 4.357 1.765 -1.846) 5.050 4.999 ( 6.189 -7.890 -0.908) 10.069 4.999 ( 6.189 7.890 -0.908) 10.069 5.110 ( -0.870 -2.104 -2.051) 3.064 5.110 ( -0.870 2.104 -2.051) 3.064 5.204 ( -1.313 -0.257 -1.542) 2.042 5.204 ( -1.313 0.257 -1.542) 2.042 5.557 ( 1.019 -4.066 3.450) 5.429 5.557 ( 1.019 4.066 3.450) 5.429 5.705 ( -3.591 -2.441 2.201) 4.868 5.705 ( -3.591 2.441 2.201) 4.868 5.747 ( -0.805 -4.411 -1.373) 4.689 5.747 ( -0.805 4.411 -1.373) 4.689 5.864 ( 7.313 -2.400 -5.433) 9.421 5.864 ( 7.313 2.400 -5.433) 9.421 5.992 ( -1.486 -0.840 2.959) 3.416 5.992 ( -1.486 0.840 2.959) 3.416 6.133 ( -3.288 -4.592 0.036) 5.648 6.133 ( -3.288 4.592 0.036) 5.648 6.382 ( -13.072 -2.072 2.876) 13.544 6.382 ( -13.072 2.072 2.876) 13.544 6.860 ( 4.946 -2.394 1.633) 5.733 6.860 ( 4.946 2.394 1.633) 5.733 7.320 ( -3.819 -1.889 5.495) 6.953 7.320 ( -3.819 1.889 5.495) 6.953 12.106 ( 3.096 -0.707 -0.341) 3.194 12.106 ( 3.096 0.707 -0.341) 3.194 12.516 ( -2.482 -0.703 0.498) 2.627 12.516 ( -2.482 0.703 0.498) 2.627 13.328 ( 6.950 -1.981 -0.051) 7.227 13.328 ( 6.950 1.981 -0.051) 7.227 13.765 ( -5.792 -3.433 -0.222) 6.737 13.765 ( -5.792 3.433 -0.222) 6.737 16.892 ( 3.193 -2.453 1.887) 4.446 16.892 ( 3.193 2.453 1.887) 4.446 16.994 ( 0.212 -0.860 -1.721) 1.935 16.994 ( 0.212 0.860 -1.721) 1.935 17.181 ( -2.610 -2.332 -0.855) 3.603 17.181 ( -2.610 2.332 -0.855) 3.603 17.763 ( 0.578 -0.753 0.375) 1.021 17.763 ( 0.578 0.753 0.375) 1.021 18.639 ( -1.555 -1.693 0.135) 2.303 18.639 ( -1.555 1.693 0.135) 2.303 18.849 ( 0.306 -1.916 0.158) 1.947 18.849 ( 0.306 1.916 0.158) 1.947 28.279 ( 2.020 -2.270 1.170) 3.256 28.279 ( 2.020 2.270 1.170) 3.256 28.433 ( -1.946 -2.074 -2.206) 3.599 28.433 ( -1.946 2.074 -2.206) 3.599 30.006 ( -1.930 -0.659 -0.316) 2.064 30.006 ( -1.930 0.659 -0.316) 2.064 30.442 ( -1.024 -2.337 -0.583) 2.618 30.442 ( -1.024 2.337 -0.583) 2.618 32.107 ( 0.159 -1.297 -0.186) 1.320 32.107 ( 0.159 1.297 -0.186) 1.320 32.932 ( -3.410 -3.809 -0.655) 5.154 32.932 ( -3.410 3.809 -0.655) 5.154 34.150 ( 10.062 -12.704 13.363) 21.005 34.150 ( 10.062 12.704 13.363) 21.005 34.906 ( 1.236 -15.117 -11.075) 18.781 34.906 ( 1.236 15.117 -11.075) 18.781 ======================= Grid point 215 (104/104) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.000 0.000 0.000) 0.000 1.605 ( 0.000 0.000 0.000) 0.000 2.085 ( 0.000 0.000 -0.000) 0.000 2.085 ( 0.000 0.000 -0.000) 0.000 2.371 ( -0.000 -0.000 -0.000) 0.000 2.371 ( 0.000 0.000 -0.000) 0.000 2.503 ( 0.000 -0.000 -0.000) 0.000 2.503 ( 0.000 0.000 -0.000) 0.000 2.933 ( 0.000 0.000 -0.000) 0.000 2.933 ( -0.000 0.000 0.000) 0.001 2.934 ( 0.000 -0.000 -0.000) 0.000 2.934 ( -0.000 -0.000 0.000) 0.000 3.267 ( 0.000 0.000 -0.000) 0.000 3.267 ( 0.000 0.000 -0.000) 0.000 3.655 ( -0.000 0.000 -0.000) 0.000 3.655 ( 0.000 0.000 -0.000) 0.000 3.960 ( 0.000 0.000 -0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 -0.000 -0.000) 0.000 4.108 ( 0.000 0.000 -0.000) 0.000 4.372 ( 0.000 0.000 -0.000) 0.000 4.372 ( 0.000 0.000 -0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 5.072 ( 0.000 -0.000 0.000) 0.000 5.072 ( 0.000 0.000 0.000) 0.000 5.106 ( -0.000 -0.000 -0.000) 0.000 5.106 ( 0.000 0.000 -0.000) 0.000 5.185 ( 0.000 -0.000 -0.000) 0.000 5.185 ( 0.000 0.000 -0.000) 0.000 5.564 ( 0.000 0.000 -0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 -0.000 -0.000) 0.000 5.667 ( 0.000 0.000 -0.000) 0.000 5.718 ( -0.000 -0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 5.955 ( -0.000 -0.000 -0.000) 0.000 5.955 ( -0.000 0.000 -0.000) 0.000 5.992 ( 0.000 0.000 -0.000) 0.000 5.992 ( 0.000 0.000 -0.000) 0.000 6.154 ( -0.000 0.000 -0.000) 0.000 6.154 ( -0.000 0.000 0.000) 0.000 6.192 ( -0.000 -0.000 0.000) 0.000 6.192 ( 0.000 -0.000 -0.000) 0.000 6.928 ( 0.000 0.000 -0.000) 0.000 6.928 ( 0.000 0.000 -0.000) 0.000 7.296 ( 0.000 0.000 -0.000) 0.000 7.296 ( 0.000 0.000 -0.000) 0.000 12.137 ( 0.000 0.000 -0.000) 0.000 12.137 ( 0.000 0.000 -0.000) 0.000 12.492 ( 0.000 0.000 -0.000) 0.000 12.492 ( 0.000 0.000 -0.000) 0.000 13.409 ( 0.000 -0.000 -0.000) 0.000 13.409 ( 0.000 0.000 -0.000) 0.000 13.695 ( -0.000 0.000 -0.000) 0.000 13.695 ( -0.000 0.000 -0.000) 0.000 16.962 ( -0.000 -0.000 -0.000) 0.000 16.962 ( 0.000 -0.000 0.000) 0.000 16.963 ( -0.000 0.000 -0.000) 0.000 16.963 ( 0.000 0.000 0.000) 0.000 17.147 ( 0.000 0.000 -0.000) 0.000 17.147 ( 0.000 0.000 -0.000) 0.000 17.770 ( 0.000 0.000 -0.000) 0.000 17.770 ( 0.000 0.000 0.000) 0.000 18.624 ( 0.000 0.000 -0.000) 0.000 18.624 ( 0.000 0.000 -0.000) 0.000 18.853 ( 0.000 0.000 -0.000) 0.000 18.853 ( 0.000 0.000 -0.000) 0.000 28.312 ( 0.000 0.000 -0.000) 0.000 28.312 ( 0.000 0.000 -0.000) 0.000 28.396 ( -0.000 0.000 -0.000) 0.000 28.396 ( 0.000 0.000 -0.000) 0.000 29.985 ( 0.000 -0.000 -0.000) 0.000 29.985 ( 0.000 0.000 -0.000) 0.000 30.429 ( 0.000 0.000 -0.000) 0.000 30.429 ( 0.000 0.000 -0.000) 0.000 32.108 ( 0.000 0.000 -0.000) 0.000 32.108 ( 0.000 0.000 0.000) 0.000 32.894 ( 0.000 0.000 -0.000) 0.000 32.894 ( 0.000 0.000 -0.000) 0.000 34.329 ( 0.000 0.000 0.000) 0.000 34.329 ( 0.000 0.000 0.000) 0.000 34.850 ( 0.000 -0.000 -0.000) 0.000 34.850 ( 0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/24192 10.0 55.701 76.963 56.392 0.000 0.536 0.000 3/24192 20.0 9.610 16.397 11.529 0.000 -1.075 0.000 3/24192 30.0 4.510 7.423 5.374 0.000 -0.544 0.000 3/24192 40.0 2.943 4.616 3.444 0.000 -0.318 0.000 3/24192 50.0 2.221 3.342 2.558 0.000 -0.204 0.000 3/24192 60.0 1.816 2.634 2.063 0.000 -0.141 0.000 3/24192 70.0 1.557 2.186 1.750 0.000 -0.103 0.000 3/24192 80.0 1.377 1.878 1.532 0.000 -0.080 0.000 3/24192 90.0 1.242 1.652 1.370 0.000 -0.064 0.000 3/24192 100.0 1.136 1.478 1.243 0.000 -0.053 0.000 3/24192 110.0 1.050 1.339 1.140 0.000 -0.045 0.000 3/24192 120.0 0.978 1.225 1.055 0.000 -0.040 0.000 3/24192 130.0 0.916 1.131 0.982 0.000 -0.035 0.000 3/24192 140.0 0.862 1.050 0.919 0.000 -0.031 0.000 3/24192 150.0 0.815 0.981 0.864 0.000 -0.029 0.000 3/24192 160.0 0.774 0.921 0.816 0.000 -0.026 0.000 3/24192 170.0 0.737 0.868 0.773 0.000 -0.024 0.000 3/24192 180.0 0.703 0.821 0.734 0.000 -0.022 0.000 3/24192 190.0 0.673 0.779 0.700 0.000 -0.021 0.000 3/24192 200.0 0.645 0.742 0.668 0.000 -0.020 0.000 3/24192 210.0 0.620 0.708 0.640 0.000 -0.019 0.000 3/24192 220.0 0.597 0.678 0.614 0.000 -0.018 0.000 3/24192 230.0 0.576 0.650 0.591 0.000 -0.017 0.000 3/24192 240.0 0.556 0.625 0.569 0.000 -0.016 0.000 3/24192 250.0 0.538 0.602 0.549 0.000 -0.015 0.000 3/24192 260.0 0.522 0.581 0.531 0.000 -0.015 0.000 3/24192 270.0 0.506 0.561 0.514 0.000 -0.014 0.000 3/24192 280.0 0.492 0.543 0.498 0.000 -0.014 0.000 3/24192 290.0 0.478 0.527 0.484 0.000 -0.013 0.000 3/24192 300.0 0.466 0.511 0.470 0.000 -0.013 0.000 3/24192 310.0 0.454 0.497 0.457 0.000 -0.013 0.000 3/24192 320.0 0.443 0.483 0.446 0.000 -0.012 0.000 3/24192 330.0 0.432 0.470 0.434 0.000 -0.012 0.000 3/24192 340.0 0.422 0.459 0.424 0.000 -0.012 0.000 3/24192 350.0 0.413 0.447 0.414 0.000 -0.012 0.000 3/24192 360.0 0.404 0.437 0.404 0.000 -0.011 0.000 3/24192 370.0 0.395 0.427 0.396 0.000 -0.011 0.000 3/24192 380.0 0.387 0.417 0.387 0.000 -0.011 0.000 3/24192 390.0 0.380 0.408 0.379 0.000 -0.011 0.000 3/24192 400.0 0.372 0.400 0.371 0.000 -0.011 0.000 3/24192 410.0 0.365 0.392 0.364 0.000 -0.011 0.000 3/24192 420.0 0.358 0.384 0.357 0.000 -0.011 0.000 3/24192 430.0 0.352 0.377 0.350 0.000 -0.010 0.000 3/24192 440.0 0.346 0.369 0.344 0.000 -0.010 0.000 3/24192 450.0 0.340 0.363 0.338 0.000 -0.010 0.000 3/24192 460.0 0.334 0.356 0.332 0.000 -0.010 0.000 3/24192 470.0 0.328 0.350 0.326 0.000 -0.010 0.000 3/24192 480.0 0.323 0.344 0.320 0.000 -0.010 0.000 3/24192 490.0 0.318 0.338 0.315 0.000 -0.010 0.000 3/24192 500.0 0.313 0.332 0.310 0.000 -0.010 0.000 3/24192 510.0 0.308 0.327 0.305 0.000 -0.010 0.000 3/24192 520.0 0.303 0.322 0.300 0.000 -0.009 0.000 3/24192 530.0 0.298 0.317 0.296 0.000 -0.009 0.000 3/24192 540.0 0.294 0.312 0.291 0.000 -0.009 0.000 3/24192 550.0 0.290 0.307 0.287 0.000 -0.009 0.000 3/24192 560.0 0.286 0.302 0.283 0.000 -0.009 0.000 3/24192 570.0 0.281 0.298 0.278 0.000 -0.009 0.000 3/24192 580.0 0.278 0.294 0.274 0.000 -0.009 0.000 3/24192 590.0 0.274 0.289 0.271 0.000 -0.009 0.000 3/24192 600.0 0.270 0.285 0.267 0.000 -0.009 0.000 3/24192 610.0 0.266 0.281 0.263 0.000 -0.009 0.000 3/24192 620.0 0.263 0.278 0.260 0.000 -0.009 0.000 3/24192 630.0 0.259 0.274 0.256 0.000 -0.009 0.000 3/24192 640.0 0.256 0.270 0.253 0.000 -0.008 0.000 3/24192 650.0 0.253 0.267 0.250 0.000 -0.008 0.000 3/24192 660.0 0.249 0.263 0.246 0.000 -0.008 0.000 3/24192 670.0 0.246 0.260 0.243 0.000 -0.008 0.000 3/24192 680.0 0.243 0.256 0.240 0.000 -0.008 0.000 3/24192 690.0 0.240 0.253 0.237 0.000 -0.008 0.000 3/24192 700.0 0.237 0.250 0.234 0.000 -0.008 0.000 3/24192 710.0 0.235 0.247 0.231 0.000 -0.008 0.000 3/24192 720.0 0.232 0.244 0.229 0.000 -0.008 0.000 3/24192 730.0 0.229 0.241 0.226 0.000 -0.008 0.000 3/24192 740.0 0.227 0.238 0.223 0.000 -0.008 0.000 3/24192 750.0 0.224 0.236 0.221 0.000 -0.008 0.000 3/24192 760.0 0.221 0.233 0.218 0.000 -0.008 0.000 3/24192 770.0 0.219 0.230 0.216 0.000 -0.008 0.000 3/24192 780.0 0.216 0.228 0.213 0.000 -0.008 0.000 3/24192 790.0 0.214 0.225 0.211 0.000 -0.007 0.000 3/24192 800.0 0.212 0.223 0.209 0.000 -0.007 0.000 3/24192 810.0 0.210 0.220 0.206 0.000 -0.007 0.000 3/24192 820.0 0.207 0.218 0.204 0.000 -0.007 0.000 3/24192 830.0 0.205 0.215 0.202 0.000 -0.007 0.000 3/24192 840.0 0.203 0.213 0.200 0.000 -0.007 0.000 3/24192 850.0 0.201 0.211 0.198 0.000 -0.007 0.000 3/24192 860.0 0.199 0.209 0.196 0.000 -0.007 0.000 3/24192 870.0 0.197 0.207 0.194 0.000 -0.007 0.000 3/24192 880.0 0.195 0.204 0.192 0.000 -0.007 0.000 3/24192 890.0 0.193 0.202 0.190 0.000 -0.007 0.000 3/24192 900.0 0.191 0.200 0.188 0.000 -0.007 0.000 3/24192 910.0 0.189 0.198 0.186 0.000 -0.007 0.000 3/24192 920.0 0.187 0.196 0.184 0.000 -0.007 0.000 3/24192 930.0 0.185 0.195 0.183 0.000 -0.007 0.000 3/24192 940.0 0.184 0.193 0.181 0.000 -0.007 0.000 3/24192 950.0 0.182 0.191 0.179 0.000 -0.007 0.000 3/24192 960.0 0.180 0.189 0.177 0.000 -0.006 0.000 3/24192 970.0 0.179 0.187 0.176 0.000 -0.006 0.000 3/24192 980.0 0.177 0.186 0.174 0.000 -0.006 0.000 3/24192 990.0 0.175 0.184 0.173 0.000 -0.006 0.000 3/24192 1000.0 0.174 0.182 0.171 0.000 -0.006 0.000 3/24192 Thermal conductivity related properties were written into "kappa-m866.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:22:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|