----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:00:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.098423655078335 -3.503363240000000 0.000000000000000 b 8.098423655078335 3.503363240000000 0.000000000000000 c -5.606107322373748 0.000000000000000 7.712445672245950 Atomic positions (fractional): *1 Li 0.29207808855393 0.70792191144607 0.25000000000000 6.941 2 Li 0.70792191144607 0.29207808855393 0.75000000000000 6.941 *3 Ho 0.79465825742391 0.20534174257609 0.25000000000000 164.930 4 Ho 0.20534174257609 0.79465825742391 0.75000000000000 164.930 *5 P 0.41365730058815 0.31362733176382 0.38454896368040 30.974 *6 P 0.99865638201408 0.29126432088068 0.69321865058548 30.974 7 P 0.70873567911932 0.00134361798592 0.80678134941452 30.974 8 P 0.29126432088068 0.99865638201408 0.19321865058548 30.974 9 P 0.31362733176382 0.41365730058815 0.88454896368040 30.974 10 P 0.58634269941185 0.68637266823618 0.61545103631960 30.974 11 P 0.68637266823618 0.58634269941185 0.11545103631960 30.974 12 P 0.00134361798592 0.70873567911932 0.30678134941452 30.974 *13 O 0.21681773667492 0.47339493426066 0.26502286543895 15.999 *14 O 0.56481637121958 0.56321793271587 0.92571239426936 15.999 *15 O 0.14697882732146 0.99063510358583 0.22297154265936 15.999 16 O 0.47339493426066 0.21681773667492 0.76502286543895 15.999 *17 O 0.60410619471077 0.17195527269142 0.31628924308246 15.999 *18 O 0.98909577847539 0.75737088884416 0.47786124287188 15.999 19 O 0.24262911115584 0.01090422152461 0.02213875712812 15.999 20 O 0.17195527269142 0.60410619471077 0.81628924308246 15.999 21 O 0.82804472730858 0.39589380528923 0.18371075691754 15.999 22 O 0.85302117267854 0.00936489641417 0.77702845734064 15.999 *23 O 0.32923976010511 0.18042729428724 0.35059617301678 15.999 24 O 0.52660506573934 0.78318226332508 0.23497713456105 15.999 25 O 0.43678206728413 0.43518362878042 0.57428760573064 15.999 26 O 0.00936489641417 0.85302117267854 0.27702845734064 15.999 27 O 0.75737088884416 0.98909577847539 0.97786124287188 15.999 28 O 0.39589380528923 0.82804472730858 0.68371075691754 15.999 29 O 0.43518362878042 0.43678206728413 0.07428760573064 15.999 30 O 0.67076023989489 0.81957270571276 0.64940382698322 15.999 31 O 0.99063510358583 0.14697882732146 0.72297154265936 15.999 32 O 0.81957270571276 0.67076023989489 0.14940382698322 15.999 33 O 0.18042729428724 0.32923976010511 0.85059617301678 15.999 34 O 0.56321793271587 0.56481637121958 0.42571239426936 15.999 35 O 0.01090422152461 0.24262911115584 0.52213875712812 15.999 36 O 0.78318226332508 0.52660506573934 0.73497713456105 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.196847310156670 0.000000000000000 0.000000000000000 b 0.000000000000000 7.006726479999999 0.000000000000000 c -5.606107322373748 0.000000000000000 7.712445672245950 Atomic positions (fractional): *1 Li 0.00000000000000 0.70792191144607 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.29207808855393 0.75000000000000 6.941 > 2 3 Li 0.50000000000000 0.20792191144607 0.25000000000000 6.941 > 1 4 Li 0.50000000000000 0.79207808855393 0.75000000000000 6.941 > 2 *5 Ho 0.00000000000000 0.20534174257609 0.25000000000000 164.930 > 3 6 Ho 0.00000000000000 0.79465825742391 0.75000000000000 164.930 > 4 7 Ho 0.50000000000000 0.70534174257609 0.25000000000000 164.930 > 3 8 Ho 0.50000000000000 0.29465825742391 0.75000000000000 164.930 > 4 *9 P 0.86364231617598 0.44998501558783 0.38454896368040 30.974 > 5 *10 P 0.14496035144738 0.14630396943330 0.69321865058548 30.974 > 6 11 P 0.35503964855262 0.64630396943330 0.80678134941452 30.974 > 7 12 P 0.64496035144738 0.35369603056670 0.19321865058548 30.974 > 8 13 P 0.36364231617599 0.05001498441217 0.88454896368040 30.974 > 9 14 P 0.13635768382402 0.55001498441217 0.61545103631960 30.974 > 10 15 P 0.63635768382402 0.94998501558783 0.11545103631960 30.974 > 11 16 P 0.85503964855262 0.85369603056670 0.30678134941452 30.974 > 12 17 P 0.36364231617599 0.94998501558783 0.38454896368040 30.974 > 5 18 P 0.64496035144738 0.64630396943330 0.69321865058548 30.974 > 6 19 P 0.85503964855262 0.14630396943330 0.80678134941452 30.974 > 7 20 P 0.14496035144738 0.85369603056670 0.19321865058548 30.974 > 8 21 P 0.86364231617598 0.55001498441217 0.88454896368040 30.974 > 9 22 P 0.63635768382402 0.05001498441217 0.61545103631960 30.974 > 10 23 P 0.13635768382402 0.44998501558783 0.11545103631960 30.974 > 11 24 P 0.35503964855262 0.35369603056670 0.30678134941452 30.974 > 12 *25 O 0.84510633546779 0.62828859879287 0.26502286543895 15.999 > 13 *26 O 0.06401715196772 0.49920078074815 0.92571239426936 15.999 > 14 *27 O 0.06880696545364 0.92182813813218 0.22297154265936 15.999 > 15 28 O 0.34510633546779 0.87171140120713 0.76502286543895 15.999 > 16 *29 O 0.88803073370109 0.28392453899032 0.31628924308246 15.999 > 17 *30 O 0.87323333365977 0.88413755518438 0.47786124287188 15.999 > 18 31 O 0.62676666634023 0.38413755518439 0.02213875712812 15.999 > 19 32 O 0.38803073370109 0.21607546100968 0.81628924308246 15.999 > 20 33 O 0.61196926629891 0.78392453899032 0.18371075691754 15.999 > 21 34 O 0.93119303454636 0.07817186186782 0.77702845734064 15.999 > 22 *35 O 0.75483352719618 0.42559376709107 0.35059617301678 15.999 > 23 36 O 0.65489366453221 0.12828859879287 0.23497713456105 15.999 > 24 37 O 0.93598284803228 0.49920078074815 0.57428760573064 15.999 > 25 38 O 0.93119303454636 0.92182813813218 0.27702845734064 15.999 > 26 39 O 0.37323333365977 0.61586244481562 0.97786124287188 15.999 > 27 40 O 0.11196926629891 0.71607546100968 0.68371075691754 15.999 > 28 41 O 0.93598284803228 0.50079921925185 0.07428760573064 15.999 > 29 42 O 0.24516647280382 0.57440623290893 0.64940382698322 15.999 > 30 43 O 0.06880696545364 0.07817186186782 0.72297154265936 15.999 > 31 44 O 0.74516647280382 0.92559376709107 0.14940382698322 15.999 > 32 45 O 0.25483352719618 0.07440623290893 0.85059617301678 15.999 > 33 46 O 0.06401715196772 0.50079921925185 0.42571239426936 15.999 > 34 47 O 0.12676666634023 0.11586244481562 0.52213875712812 15.999 > 35 48 O 0.15489366453221 0.37171140120713 0.73497713456105 15.999 > 36 49 O 0.34510633546779 0.12828859879287 0.26502286543895 15.999 > 13 50 O 0.56401715196772 0.99920078074815 0.92571239426936 15.999 > 14 51 O 0.56880696545364 0.42182813813218 0.22297154265936 15.999 > 15 52 O 0.84510633546779 0.37171140120713 0.76502286543895 15.999 > 16 53 O 0.38803073370109 0.78392453899032 0.31628924308246 15.999 > 17 54 O 0.37323333365977 0.38413755518439 0.47786124287188 15.999 > 18 55 O 0.12676666634023 0.88413755518438 0.02213875712812 15.999 > 19 56 O 0.88803073370109 0.71607546100968 0.81628924308246 15.999 > 20 57 O 0.11196926629891 0.28392453899032 0.18371075691754 15.999 > 21 58 O 0.43119303454636 0.57817186186782 0.77702845734064 15.999 > 22 59 O 0.25483352719618 0.92559376709107 0.35059617301678 15.999 > 23 60 O 0.15489366453221 0.62828859879287 0.23497713456105 15.999 > 24 61 O 0.43598284803228 0.99920078074815 0.57428760573064 15.999 > 25 62 O 0.43119303454636 0.42182813813218 0.27702845734064 15.999 > 26 63 O 0.87323333365977 0.11586244481562 0.97786124287188 15.999 > 27 64 O 0.61196926629891 0.21607546100968 0.68371075691754 15.999 > 28 65 O 0.43598284803228 0.00079921925185 0.07428760573064 15.999 > 29 66 O 0.74516647280382 0.07440623290893 0.64940382698322 15.999 > 30 67 O 0.56880696545364 0.57817186186782 0.72297154265936 15.999 > 31 68 O 0.24516647280382 0.42559376709107 0.14940382698322 15.999 > 32 69 O 0.75483352719618 0.57440623290893 0.85059617301678 15.999 > 33 70 O 0.56401715196772 0.00079921925185 0.42571239426936 15.999 > 34 71 O 0.62676666634023 0.61586244481562 0.52213875712812 15.999 > 35 72 O 0.65489366453221 0.87171140120713 0.73497713456105 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.196847310156670 0.000000000000000 0.000000000000000 b 0.000000000000000 14.013452959999999 0.000000000000000 c -5.606107322373748 0.000000000000000 7.712445672245950 Atomic positions (fractional): *1 Li 0.00000000000000 0.35396095572303 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.85396095572303 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.14603904427697 0.75000000000000 6.941 > 2 4 Li 0.00000000000000 0.64603904427697 0.75000000000000 6.941 > 2 5 Li 0.50000000000000 0.10396095572303 0.25000000000000 6.941 > 1 6 Li 0.50000000000000 0.60396095572303 0.25000000000000 6.941 > 1 7 Li 0.50000000000000 0.39603904427697 0.75000000000000 6.941 > 2 8 Li 0.50000000000000 0.89603904427697 0.75000000000000 6.941 > 2 *9 Ho 0.00000000000000 0.10267087128804 0.25000000000000 164.930 > 3 10 Ho 0.00000000000000 0.60267087128804 0.25000000000000 164.930 > 3 11 Ho 0.00000000000000 0.39732912871196 0.75000000000000 164.930 > 4 12 Ho 0.00000000000000 0.89732912871196 0.75000000000000 164.930 > 4 13 Ho 0.50000000000000 0.35267087128804 0.25000000000000 164.930 > 3 14 Ho 0.50000000000000 0.85267087128804 0.25000000000000 164.930 > 3 15 Ho 0.50000000000000 0.14732912871196 0.75000000000000 164.930 > 4 16 Ho 0.50000000000000 0.64732912871196 0.75000000000000 164.930 > 4 *17 P 0.86364231617598 0.22499250779392 0.38454896368040 30.974 > 5 18 P 0.86364231617598 0.72499250779392 0.38454896368040 30.974 > 5 *19 P 0.14496035144738 0.07315198471665 0.69321865058548 30.974 > 6 20 P 0.14496035144738 0.57315198471665 0.69321865058548 30.974 > 6 21 P 0.35503964855262 0.32315198471665 0.80678134941452 30.974 > 7 22 P 0.35503964855262 0.82315198471665 0.80678134941452 30.974 > 7 23 P 0.64496035144738 0.17684801528335 0.19321865058548 30.974 > 8 24 P 0.64496035144738 0.67684801528335 0.19321865058548 30.974 > 8 25 P 0.36364231617599 0.02500749220608 0.88454896368040 30.974 > 9 26 P 0.36364231617599 0.52500749220608 0.88454896368040 30.974 > 9 27 P 0.13635768382402 0.27500749220608 0.61545103631960 30.974 > 10 28 P 0.13635768382402 0.77500749220608 0.61545103631960 30.974 > 10 29 P 0.63635768382402 0.47499250779392 0.11545103631960 30.974 > 11 30 P 0.63635768382402 0.97499250779392 0.11545103631960 30.974 > 11 31 P 0.85503964855262 0.42684801528335 0.30678134941452 30.974 > 12 32 P 0.85503964855262 0.92684801528335 0.30678134941452 30.974 > 12 33 P 0.36364231617599 0.47499250779392 0.38454896368040 30.974 > 5 34 P 0.36364231617599 0.97499250779392 0.38454896368040 30.974 > 5 35 P 0.64496035144738 0.32315198471665 0.69321865058548 30.974 > 6 36 P 0.64496035144738 0.82315198471665 0.69321865058548 30.974 > 6 37 P 0.85503964855262 0.07315198471665 0.80678134941452 30.974 > 7 38 P 0.85503964855262 0.57315198471665 0.80678134941452 30.974 > 7 39 P 0.14496035144738 0.42684801528335 0.19321865058548 30.974 > 8 40 P 0.14496035144738 0.92684801528335 0.19321865058548 30.974 > 8 41 P 0.86364231617598 0.27500749220608 0.88454896368040 30.974 > 9 42 P 0.86364231617598 0.77500749220608 0.88454896368040 30.974 > 9 43 P 0.63635768382402 0.02500749220608 0.61545103631960 30.974 > 10 44 P 0.63635768382402 0.52500749220608 0.61545103631960 30.974 > 10 45 P 0.13635768382402 0.22499250779392 0.11545103631960 30.974 > 11 46 P 0.13635768382402 0.72499250779392 0.11545103631960 30.974 > 11 47 P 0.35503964855262 0.17684801528335 0.30678134941452 30.974 > 12 48 P 0.35503964855262 0.67684801528335 0.30678134941452 30.974 > 12 *49 O 0.84510633546779 0.31414429939643 0.26502286543895 15.999 > 13 50 O 0.84510633546779 0.81414429939643 0.26502286543895 15.999 > 13 *51 O 0.06401715196772 0.24960039037407 0.92571239426936 15.999 > 14 52 O 0.06401715196772 0.74960039037407 0.92571239426936 15.999 > 14 *53 O 0.06880696545364 0.46091406906609 0.22297154265936 15.999 > 15 54 O 0.06880696545364 0.96091406906609 0.22297154265936 15.999 > 15 55 O 0.34510633546779 0.43585570060357 0.76502286543895 15.999 > 16 56 O 0.34510633546779 0.93585570060357 0.76502286543895 15.999 > 16 *57 O 0.88803073370109 0.14196226949516 0.31628924308246 15.999 > 17 58 O 0.88803073370109 0.64196226949516 0.31628924308246 15.999 > 17 *59 O 0.87323333365977 0.44206877759219 0.47786124287188 15.999 > 18 60 O 0.87323333365977 0.94206877759219 0.47786124287188 15.999 > 18 61 O 0.62676666634023 0.19206877759219 0.02213875712812 15.999 > 19 62 O 0.62676666634023 0.69206877759219 0.02213875712812 15.999 > 19 63 O 0.38803073370109 0.10803773050484 0.81628924308246 15.999 > 20 64 O 0.38803073370109 0.60803773050484 0.81628924308246 15.999 > 20 65 O 0.61196926629891 0.39196226949516 0.18371075691754 15.999 > 21 66 O 0.61196926629891 0.89196226949516 0.18371075691754 15.999 > 21 67 O 0.93119303454636 0.03908593093391 0.77702845734064 15.999 > 22 68 O 0.93119303454636 0.53908593093391 0.77702845734064 15.999 > 22 *69 O 0.75483352719618 0.21279688354553 0.35059617301678 15.999 > 23 70 O 0.75483352719618 0.71279688354553 0.35059617301678 15.999 > 23 71 O 0.65489366453221 0.06414429939643 0.23497713456105 15.999 > 24 72 O 0.65489366453221 0.56414429939643 0.23497713456105 15.999 > 24 73 O 0.93598284803228 0.24960039037407 0.57428760573064 15.999 > 25 74 O 0.93598284803228 0.74960039037407 0.57428760573064 15.999 > 25 75 O 0.93119303454636 0.46091406906609 0.27702845734064 15.999 > 26 76 O 0.93119303454636 0.96091406906609 0.27702845734064 15.999 > 26 77 O 0.37323333365977 0.30793122240781 0.97786124287188 15.999 > 27 78 O 0.37323333365977 0.80793122240781 0.97786124287188 15.999 > 27 79 O 0.11196926629891 0.35803773050484 0.68371075691754 15.999 > 28 80 O 0.11196926629891 0.85803773050484 0.68371075691754 15.999 > 28 81 O 0.93598284803228 0.25039960962593 0.07428760573064 15.999 > 29 82 O 0.93598284803228 0.75039960962593 0.07428760573064 15.999 > 29 83 O 0.24516647280382 0.28720311645447 0.64940382698322 15.999 > 30 84 O 0.24516647280382 0.78720311645447 0.64940382698322 15.999 > 30 85 O 0.06880696545364 0.03908593093391 0.72297154265936 15.999 > 31 86 O 0.06880696545364 0.53908593093391 0.72297154265936 15.999 > 31 87 O 0.74516647280382 0.46279688354553 0.14940382698322 15.999 > 32 88 O 0.74516647280382 0.96279688354553 0.14940382698322 15.999 > 32 89 O 0.25483352719618 0.03720311645447 0.85059617301678 15.999 > 33 90 O 0.25483352719618 0.53720311645447 0.85059617301678 15.999 > 33 91 O 0.06401715196772 0.25039960962593 0.42571239426936 15.999 > 34 92 O 0.06401715196772 0.75039960962593 0.42571239426936 15.999 > 34 93 O 0.12676666634023 0.05793122240781 0.52213875712812 15.999 > 35 94 O 0.12676666634023 0.55793122240781 0.52213875712812 15.999 > 35 95 O 0.15489366453221 0.18585570060357 0.73497713456105 15.999 > 36 96 O 0.15489366453221 0.68585570060357 0.73497713456105 15.999 > 36 97 O 0.34510633546779 0.06414429939643 0.26502286543895 15.999 > 13 98 O 0.34510633546779 0.56414429939643 0.26502286543895 15.999 > 13 99 O 0.56401715196772 0.49960039037407 0.92571239426936 15.999 > 14 100 O 0.56401715196772 0.99960039037407 0.92571239426936 15.999 > 14 101 O 0.56880696545364 0.21091406906609 0.22297154265936 15.999 > 15 102 O 0.56880696545364 0.71091406906609 0.22297154265936 15.999 > 15 103 O 0.84510633546779 0.18585570060357 0.76502286543895 15.999 > 16 104 O 0.84510633546779 0.68585570060357 0.76502286543895 15.999 > 16 105 O 0.38803073370109 0.39196226949516 0.31628924308246 15.999 > 17 106 O 0.38803073370109 0.89196226949516 0.31628924308246 15.999 > 17 107 O 0.37323333365977 0.19206877759219 0.47786124287188 15.999 > 18 108 O 0.37323333365977 0.69206877759219 0.47786124287188 15.999 > 18 109 O 0.12676666634023 0.44206877759219 0.02213875712812 15.999 > 19 110 O 0.12676666634023 0.94206877759219 0.02213875712812 15.999 > 19 111 O 0.88803073370109 0.35803773050484 0.81628924308246 15.999 > 20 112 O 0.88803073370109 0.85803773050484 0.81628924308246 15.999 > 20 113 O 0.11196926629891 0.14196226949516 0.18371075691754 15.999 > 21 114 O 0.11196926629891 0.64196226949516 0.18371075691754 15.999 > 21 115 O 0.43119303454636 0.28908593093391 0.77702845734064 15.999 > 22 116 O 0.43119303454636 0.78908593093391 0.77702845734064 15.999 > 22 117 O 0.25483352719618 0.46279688354553 0.35059617301678 15.999 > 23 118 O 0.25483352719618 0.96279688354553 0.35059617301678 15.999 > 23 119 O 0.15489366453221 0.31414429939643 0.23497713456105 15.999 > 24 120 O 0.15489366453221 0.81414429939643 0.23497713456105 15.999 > 24 121 O 0.43598284803228 0.49960039037407 0.57428760573064 15.999 > 25 122 O 0.43598284803228 0.99960039037407 0.57428760573064 15.999 > 25 123 O 0.43119303454636 0.21091406906609 0.27702845734064 15.999 > 26 124 O 0.43119303454636 0.71091406906609 0.27702845734064 15.999 > 26 125 O 0.87323333365977 0.05793122240781 0.97786124287188 15.999 > 27 126 O 0.87323333365977 0.55793122240781 0.97786124287188 15.999 > 27 127 O 0.61196926629891 0.10803773050484 0.68371075691754 15.999 > 28 128 O 0.61196926629891 0.60803773050484 0.68371075691754 15.999 > 28 129 O 0.43598284803228 0.00039960962593 0.07428760573064 15.999 > 29 130 O 0.43598284803228 0.50039960962593 0.07428760573064 15.999 > 29 131 O 0.74516647280382 0.03720311645447 0.64940382698322 15.999 > 30 132 O 0.74516647280382 0.53720311645447 0.64940382698322 15.999 > 30 133 O 0.56880696545364 0.28908593093391 0.72297154265936 15.999 > 31 134 O 0.56880696545364 0.78908593093391 0.72297154265936 15.999 > 31 135 O 0.24516647280382 0.21279688354553 0.14940382698322 15.999 > 32 136 O 0.24516647280382 0.71279688354553 0.14940382698322 15.999 > 32 137 O 0.75483352719618 0.28720311645447 0.85059617301678 15.999 > 33 138 O 0.75483352719618 0.78720311645447 0.85059617301678 15.999 > 33 139 O 0.56401715196772 0.00039960962593 0.42571239426936 15.999 > 34 140 O 0.56401715196772 0.50039960962593 0.42571239426936 15.999 > 34 141 O 0.62676666634023 0.30793122240781 0.52213875712812 15.999 > 35 142 O 0.62676666634023 0.80793122240781 0.52213875712812 15.999 > 35 143 O 0.65489366453221 0.43585570060357 0.73497713456105 15.999 > 36 144 O 0.65489366453221 0.93585570060357 0.73497713456105 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7859954 0.0000000 0.0356721 0.0000000 2.7685756 0.0000000 0.0356699 0.0000000 2.7418865 -------------------------- Born effective charges -------------------------- 1 Li 1.1605511 0.0000000 -0.1046216 -0.0000000 1.0954494 0.0000000 -0.1284166 0.0000000 1.0670065 2 Li 1.1605511 0.0000000 -0.1046216 -0.0000000 1.0954494 0.0000000 -0.1284166 0.0000000 1.0670065 3 Ho 3.9769965 0.0000000 -0.4535896 -0.0000000 3.8729625 0.0000000 -0.2413098 0.0000000 4.4158540 4 Ho 3.9769965 0.0000000 -0.4535896 -0.0000000 3.8729625 0.0000000 -0.2413098 0.0000000 4.4158540 5 P 3.7501358 -0.2841145 0.1421337 0.4015530 3.6545456 -0.1493523 0.7869019 0.2894904 3.2522282 6 P 3.6011083 -0.0915591 0.7449959 0.1844592 3.8055702 -0.2748218 -0.0572168 -0.2760737 3.4074946 7 P 3.6011083 0.0915591 0.7449959 -0.1844592 3.8055702 0.2748218 -0.0572168 0.2760737 3.4074946 8 P 3.6011083 0.0915591 0.7449959 -0.1844592 3.8055702 0.2748218 -0.0572168 0.2760737 3.4074946 9 P 3.7501358 0.2841145 0.1421337 -0.4015530 3.6545456 0.1493523 0.7869019 -0.2894904 3.2522282 10 P 3.7501358 -0.2841145 0.1421337 0.4015530 3.6545456 -0.1493523 0.7869019 0.2894904 3.2522282 11 P 3.7501358 0.2841145 0.1421337 -0.4015530 3.6545456 0.1493523 0.7869019 -0.2894904 3.2522282 12 P 3.6011083 -0.0915591 0.7449959 0.1844592 3.8055702 -0.2748218 -0.0572168 -0.2760737 3.4074946 13 O -1.0094290 -0.1160634 0.0583521 -0.2336033 -2.9736871 0.3961535 0.0497785 0.2665698 -1.1117822 14 O -1.0969293 0.0004919 -0.1195210 0.0383211 -1.4091231 0.2823533 -0.1261636 0.4209364 -2.1308588 15 O -2.1104541 0.4866417 0.1821709 0.6000382 -1.7008913 -0.1430451 0.2564058 -0.1243464 -1.0202753 16 O -1.0094290 0.1160634 0.0583521 0.2336033 -2.9736871 -0.3961535 0.0497785 -0.2665698 -1.1117822 17 O -1.9933658 0.6264802 0.3099277 0.5541075 -1.6590482 -0.3328800 0.1556941 -0.2887741 -1.0954570 18 O -1.0820349 0.0487833 0.0023506 0.0340179 -1.1128944 0.1376482 0.1567989 0.1511600 -2.4481167 19 O -1.0820349 -0.0487833 0.0023506 -0.0340179 -1.1128944 -0.1376482 0.1567989 -0.1511600 -2.4481167 20 O -1.9933658 -0.6264802 0.3099277 -0.5541075 -1.6590482 0.3328800 0.1556941 0.2887741 -1.0954570 21 O -1.9933658 -0.6264802 0.3099277 -0.5541075 -1.6590482 0.3328800 0.1556941 0.2887741 -1.0954570 22 O -2.1104541 0.4866417 0.1821709 0.6000382 -1.7008913 -0.1430451 0.2564058 -0.1243464 -1.0202753 23 O -2.6278047 -0.3644978 -1.0413044 -0.6323753 -1.0886775 -0.4375472 -1.0373356 -0.3391824 -1.5946630 24 O -1.0094290 0.1160634 0.0583521 0.2336033 -2.9736871 -0.3961535 0.0497785 -0.2665698 -1.1117822 25 O -1.0969293 -0.0004919 -0.1195210 -0.0383211 -1.4091231 -0.2823533 -0.1261636 -0.4209364 -2.1308588 26 O -2.1104541 -0.4866417 0.1821709 -0.6000382 -1.7008913 0.1430451 0.2564058 0.1243464 -1.0202753 27 O -1.0820349 -0.0487833 0.0023506 -0.0340179 -1.1128944 -0.1376482 0.1567989 -0.1511600 -2.4481167 28 O -1.9933658 0.6264802 0.3099277 0.5541075 -1.6590482 -0.3328800 0.1556941 -0.2887741 -1.0954570 29 O -1.0969293 0.0004919 -0.1195210 0.0383211 -1.4091231 0.2823533 -0.1261636 0.4209364 -2.1308588 30 O -2.6278047 -0.3644978 -1.0413044 -0.6323753 -1.0886775 -0.4375472 -1.0373356 -0.3391824 -1.5946630 31 O -2.1104541 -0.4866417 0.1821709 -0.6000382 -1.7008913 0.1430451 0.2564058 0.1243464 -1.0202753 32 O -2.6278047 0.3644978 -1.0413044 0.6323753 -1.0886775 0.4375472 -1.0373356 0.3391824 -1.5946630 33 O -2.6278047 0.3644978 -1.0413044 0.6323753 -1.0886775 0.4375472 -1.0373356 0.3391824 -1.5946630 34 O -1.0969293 -0.0004919 -0.1195210 -0.0383211 -1.4091231 -0.2823533 -0.1261636 -0.4209364 -2.1308588 35 O -1.0820349 0.0487833 0.0023506 0.0340179 -1.1128944 0.1376482 0.1567989 0.1511600 -2.4481167 36 O -1.0094290 -0.1160634 0.0583521 -0.2336033 -2.9736871 0.3961535 0.0497785 0.2665698 -1.1117822 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6002 Number of blocks in projector: 6002 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: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1312 / 1312 (1) 303 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 265 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 265 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 204 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (6002, 5921), data: False |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 6), data: (710, 16) @ (16, 6) |-- (210, 204), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 31), data: (1280, 47) @ (47, 31) |-- (280, 265), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1280, 1264), data: False |-- (1280, 31), data: (1280, 47) @ (47, 31) |-- (280, 265), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1312, 1293), data: False |-- (1312, 24), data: (1312, 43) @ (43, 24) |-- (312, 303), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.574 Solver_block: 200 / 1120 - Time: 2.437 Solver_block: 300 / 1120 - Time: 2.016 Solver_block: 400 / 1120 - Time: 2.927 Solver_block: 500 / 1120 - Time: 2.453 Solver_block: 600 / 1120 - Time: 2.346 Solver_block: 700 / 1120 - Time: 2.346 Solver_block: 800 / 1120 - Time: 2.481 Solver_block: 900 / 1120 - Time: 3.081 Solver_block: 1000 / 1120 - Time: 2.425 Solver_block: 1100 / 1120 - Time: 2.781 Solver_block: 1120 / 1120 - Time: 0.561 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 29.708 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6002 Number of blocks in projector: 6002 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: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1312 / 1312 (1) 303 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 265 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 265 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 204 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (6002, 5921), data: False |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 6), data: (710, 16) @ (16, 6) |-- (210, 204), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 31), data: (1280, 47) @ (47, 31) |-- (280, 265), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1280, 1264), data: False |-- (1280, 31), data: (1280, 47) @ (47, 31) |-- (280, 265), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1312, 1293), data: False |-- (1312, 24), data: (1312, 43) @ (43, 24) |-- (312, 303), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:02:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:02:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.098423655078335 -3.503363240000000 0.000000000000000 b 8.098423655078335 3.503363240000000 0.000000000000000 c -5.606107322373748 0.000000000000000 7.712445672245950 Atomic positions (fractional): 1 Li 0.29207808855393 0.70792191144607 0.25000000000000 6.941 2 Li 0.70792191144607 0.29207808855393 0.75000000000000 6.941 3 Ho 0.79465825742391 0.20534174257609 0.25000000000000 164.930 4 Ho 0.20534174257609 0.79465825742391 0.75000000000000 164.930 5 P 0.41365730058815 0.31362733176382 0.38454896368040 30.974 6 P 0.99865638201408 0.29126432088068 0.69321865058548 30.974 7 P 0.70873567911932 0.00134361798592 0.80678134941452 30.974 8 P 0.29126432088068 0.99865638201408 0.19321865058548 30.974 9 P 0.31362733176382 0.41365730058815 0.88454896368040 30.974 10 P 0.58634269941185 0.68637266823618 0.61545103631960 30.974 11 P 0.68637266823618 0.58634269941185 0.11545103631960 30.974 12 P 0.00134361798592 0.70873567911932 0.30678134941452 30.974 13 O 0.21681773667492 0.47339493426066 0.26502286543895 15.999 14 O 0.56481637121958 0.56321793271587 0.92571239426936 15.999 15 O 0.14697882732146 0.99063510358583 0.22297154265936 15.999 16 O 0.47339493426066 0.21681773667492 0.76502286543895 15.999 17 O 0.60410619471077 0.17195527269142 0.31628924308246 15.999 18 O 0.98909577847539 0.75737088884416 0.47786124287188 15.999 19 O 0.24262911115584 0.01090422152461 0.02213875712812 15.999 20 O 0.17195527269142 0.60410619471077 0.81628924308246 15.999 21 O 0.82804472730858 0.39589380528923 0.18371075691754 15.999 22 O 0.85302117267854 0.00936489641417 0.77702845734064 15.999 23 O 0.32923976010511 0.18042729428724 0.35059617301678 15.999 24 O 0.52660506573934 0.78318226332508 0.23497713456105 15.999 25 O 0.43678206728413 0.43518362878042 0.57428760573064 15.999 26 O 0.00936489641417 0.85302117267854 0.27702845734064 15.999 27 O 0.75737088884416 0.98909577847539 0.97786124287188 15.999 28 O 0.39589380528923 0.82804472730858 0.68371075691754 15.999 29 O 0.43518362878042 0.43678206728413 0.07428760573064 15.999 30 O 0.67076023989489 0.81957270571276 0.64940382698322 15.999 31 O 0.99063510358583 0.14697882732146 0.72297154265936 15.999 32 O 0.81957270571276 0.67076023989489 0.14940382698322 15.999 33 O 0.18042729428724 0.32923976010511 0.85059617301678 15.999 34 O 0.56321793271587 0.56481637121958 0.42571239426936 15.999 35 O 0.01090422152461 0.24262911115584 0.52213875712812 15.999 36 O 0.78318226332508 0.52660506573934 0.73497713456105 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.196847310156670 0.000000000000000 0.000000000000000 b 0.000000000000000 14.013452959999999 0.000000000000000 c -5.606107322373748 0.000000000000000 7.712445672245950 Atomic positions (fractional): 1 Li 0.00000000000000 0.35396095572303 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.85396095572303 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.14603904427697 0.75000000000000 6.941 > 3 4 Li 0.00000000000000 0.64603904427697 0.75000000000000 6.941 > 3 5 Li 0.50000000000000 0.10396095572303 0.25000000000000 6.941 > 1 6 Li 0.50000000000000 0.60396095572303 0.25000000000000 6.941 > 1 7 Li 0.50000000000000 0.39603904427697 0.75000000000000 6.941 > 3 8 Li 0.50000000000000 0.89603904427697 0.75000000000000 6.941 > 3 9 Ho 0.00000000000000 0.10267087128804 0.25000000000000 164.930 > 9 10 Ho 0.00000000000000 0.60267087128804 0.25000000000000 164.930 > 9 11 Ho 0.00000000000000 0.39732912871196 0.75000000000000 164.930 > 11 12 Ho 0.00000000000000 0.89732912871196 0.75000000000000 164.930 > 11 13 Ho 0.50000000000000 0.35267087128804 0.25000000000000 164.930 > 9 14 Ho 0.50000000000000 0.85267087128804 0.25000000000000 164.930 > 9 15 Ho 0.50000000000000 0.14732912871196 0.75000000000000 164.930 > 11 16 Ho 0.50000000000000 0.64732912871196 0.75000000000000 164.930 > 11 17 P 0.86364231617598 0.22499250779392 0.38454896368040 30.974 > 17 18 P 0.86364231617598 0.72499250779392 0.38454896368040 30.974 > 17 19 P 0.14496035144738 0.07315198471665 0.69321865058548 30.974 > 19 20 P 0.14496035144738 0.57315198471665 0.69321865058548 30.974 > 19 21 P 0.35503964855262 0.32315198471665 0.80678134941452 30.974 > 21 22 P 0.35503964855262 0.82315198471665 0.80678134941452 30.974 > 21 23 P 0.64496035144738 0.17684801528335 0.19321865058548 30.974 > 23 24 P 0.64496035144738 0.67684801528335 0.19321865058548 30.974 > 23 25 P 0.36364231617599 0.02500749220608 0.88454896368040 30.974 > 25 26 P 0.36364231617599 0.52500749220608 0.88454896368040 30.974 > 25 27 P 0.13635768382402 0.27500749220608 0.61545103631960 30.974 > 27 28 P 0.13635768382402 0.77500749220608 0.61545103631960 30.974 > 27 29 P 0.63635768382402 0.47499250779392 0.11545103631960 30.974 > 29 30 P 0.63635768382402 0.97499250779392 0.11545103631960 30.974 > 29 31 P 0.85503964855262 0.42684801528335 0.30678134941452 30.974 > 31 32 P 0.85503964855262 0.92684801528335 0.30678134941452 30.974 > 31 33 P 0.36364231617599 0.47499250779392 0.38454896368040 30.974 > 17 34 P 0.36364231617599 0.97499250779392 0.38454896368040 30.974 > 17 35 P 0.64496035144738 0.32315198471665 0.69321865058548 30.974 > 19 36 P 0.64496035144738 0.82315198471665 0.69321865058548 30.974 > 19 37 P 0.85503964855262 0.07315198471665 0.80678134941452 30.974 > 21 38 P 0.85503964855262 0.57315198471665 0.80678134941452 30.974 > 21 39 P 0.14496035144738 0.42684801528335 0.19321865058548 30.974 > 23 40 P 0.14496035144738 0.92684801528335 0.19321865058548 30.974 > 23 41 P 0.86364231617598 0.27500749220608 0.88454896368040 30.974 > 25 42 P 0.86364231617598 0.77500749220608 0.88454896368040 30.974 > 25 43 P 0.63635768382402 0.02500749220608 0.61545103631960 30.974 > 27 44 P 0.63635768382402 0.52500749220608 0.61545103631960 30.974 > 27 45 P 0.13635768382402 0.22499250779392 0.11545103631960 30.974 > 29 46 P 0.13635768382402 0.72499250779392 0.11545103631960 30.974 > 29 47 P 0.35503964855262 0.17684801528335 0.30678134941452 30.974 > 31 48 P 0.35503964855262 0.67684801528335 0.30678134941452 30.974 > 31 49 O 0.84510633546779 0.31414429939643 0.26502286543895 15.999 > 49 50 O 0.84510633546779 0.81414429939643 0.26502286543895 15.999 > 49 51 O 0.06401715196772 0.24960039037407 0.92571239426936 15.999 > 51 52 O 0.06401715196772 0.74960039037407 0.92571239426936 15.999 > 51 53 O 0.06880696545364 0.46091406906609 0.22297154265936 15.999 > 53 54 O 0.06880696545364 0.96091406906609 0.22297154265936 15.999 > 53 55 O 0.34510633546779 0.43585570060357 0.76502286543895 15.999 > 55 56 O 0.34510633546779 0.93585570060357 0.76502286543895 15.999 > 55 57 O 0.88803073370109 0.14196226949516 0.31628924308246 15.999 > 57 58 O 0.88803073370109 0.64196226949516 0.31628924308246 15.999 > 57 59 O 0.87323333365977 0.44206877759219 0.47786124287188 15.999 > 59 60 O 0.87323333365977 0.94206877759219 0.47786124287188 15.999 > 59 61 O 0.62676666634023 0.19206877759219 0.02213875712812 15.999 > 61 62 O 0.62676666634023 0.69206877759219 0.02213875712812 15.999 > 61 63 O 0.38803073370109 0.10803773050484 0.81628924308246 15.999 > 63 64 O 0.38803073370109 0.60803773050484 0.81628924308246 15.999 > 63 65 O 0.61196926629891 0.39196226949516 0.18371075691754 15.999 > 65 66 O 0.61196926629891 0.89196226949516 0.18371075691754 15.999 > 65 67 O 0.93119303454636 0.03908593093391 0.77702845734064 15.999 > 67 68 O 0.93119303454636 0.53908593093391 0.77702845734064 15.999 > 67 69 O 0.75483352719618 0.21279688354553 0.35059617301678 15.999 > 69 70 O 0.75483352719618 0.71279688354553 0.35059617301678 15.999 > 69 71 O 0.65489366453221 0.06414429939643 0.23497713456105 15.999 > 71 72 O 0.65489366453221 0.56414429939643 0.23497713456105 15.999 > 71 73 O 0.93598284803228 0.24960039037407 0.57428760573064 15.999 > 73 74 O 0.93598284803228 0.74960039037407 0.57428760573064 15.999 > 73 75 O 0.93119303454636 0.46091406906609 0.27702845734064 15.999 > 75 76 O 0.93119303454636 0.96091406906609 0.27702845734064 15.999 > 75 77 O 0.37323333365977 0.30793122240781 0.97786124287188 15.999 > 77 78 O 0.37323333365977 0.80793122240781 0.97786124287188 15.999 > 77 79 O 0.11196926629891 0.35803773050484 0.68371075691754 15.999 > 79 80 O 0.11196926629891 0.85803773050484 0.68371075691754 15.999 > 79 81 O 0.93598284803228 0.25039960962593 0.07428760573064 15.999 > 81 82 O 0.93598284803228 0.75039960962593 0.07428760573064 15.999 > 81 83 O 0.24516647280382 0.28720311645447 0.64940382698322 15.999 > 83 84 O 0.24516647280382 0.78720311645447 0.64940382698322 15.999 > 83 85 O 0.06880696545364 0.03908593093391 0.72297154265936 15.999 > 85 86 O 0.06880696545364 0.53908593093391 0.72297154265936 15.999 > 85 87 O 0.74516647280382 0.46279688354553 0.14940382698322 15.999 > 87 88 O 0.74516647280382 0.96279688354553 0.14940382698322 15.999 > 87 89 O 0.25483352719618 0.03720311645447 0.85059617301678 15.999 > 89 90 O 0.25483352719618 0.53720311645447 0.85059617301678 15.999 > 89 91 O 0.06401715196772 0.25039960962593 0.42571239426936 15.999 > 91 92 O 0.06401715196772 0.75039960962593 0.42571239426936 15.999 > 91 93 O 0.12676666634023 0.05793122240781 0.52213875712812 15.999 > 93 94 O 0.12676666634023 0.55793122240781 0.52213875712812 15.999 > 93 95 O 0.15489366453221 0.18585570060357 0.73497713456105 15.999 > 95 96 O 0.15489366453221 0.68585570060357 0.73497713456105 15.999 > 95 97 O 0.34510633546779 0.06414429939643 0.26502286543895 15.999 > 49 98 O 0.34510633546779 0.56414429939643 0.26502286543895 15.999 > 49 99 O 0.56401715196772 0.49960039037407 0.92571239426936 15.999 > 51 100 O 0.56401715196772 0.99960039037407 0.92571239426936 15.999 > 51 101 O 0.56880696545364 0.21091406906609 0.22297154265936 15.999 > 53 102 O 0.56880696545364 0.71091406906609 0.22297154265936 15.999 > 53 103 O 0.84510633546779 0.18585570060357 0.76502286543895 15.999 > 55 104 O 0.84510633546779 0.68585570060357 0.76502286543895 15.999 > 55 105 O 0.38803073370109 0.39196226949516 0.31628924308246 15.999 > 57 106 O 0.38803073370109 0.89196226949516 0.31628924308246 15.999 > 57 107 O 0.37323333365977 0.19206877759219 0.47786124287188 15.999 > 59 108 O 0.37323333365977 0.69206877759219 0.47786124287188 15.999 > 59 109 O 0.12676666634023 0.44206877759219 0.02213875712812 15.999 > 61 110 O 0.12676666634023 0.94206877759219 0.02213875712812 15.999 > 61 111 O 0.88803073370109 0.35803773050484 0.81628924308246 15.999 > 63 112 O 0.88803073370109 0.85803773050484 0.81628924308246 15.999 > 63 113 O 0.11196926629891 0.14196226949516 0.18371075691754 15.999 > 65 114 O 0.11196926629891 0.64196226949516 0.18371075691754 15.999 > 65 115 O 0.43119303454636 0.28908593093391 0.77702845734064 15.999 > 67 116 O 0.43119303454636 0.78908593093391 0.77702845734064 15.999 > 67 117 O 0.25483352719618 0.46279688354553 0.35059617301678 15.999 > 69 118 O 0.25483352719618 0.96279688354553 0.35059617301678 15.999 > 69 119 O 0.15489366453221 0.31414429939643 0.23497713456105 15.999 > 71 120 O 0.15489366453221 0.81414429939643 0.23497713456105 15.999 > 71 121 O 0.43598284803228 0.49960039037407 0.57428760573064 15.999 > 73 122 O 0.43598284803228 0.99960039037407 0.57428760573064 15.999 > 73 123 O 0.43119303454636 0.21091406906609 0.27702845734064 15.999 > 75 124 O 0.43119303454636 0.71091406906609 0.27702845734064 15.999 > 75 125 O 0.87323333365977 0.05793122240781 0.97786124287188 15.999 > 77 126 O 0.87323333365977 0.55793122240781 0.97786124287188 15.999 > 77 127 O 0.61196926629891 0.10803773050484 0.68371075691754 15.999 > 79 128 O 0.61196926629891 0.60803773050484 0.68371075691754 15.999 > 79 129 O 0.43598284803228 0.00039960962593 0.07428760573064 15.999 > 81 130 O 0.43598284803228 0.50039960962593 0.07428760573064 15.999 > 81 131 O 0.74516647280382 0.03720311645447 0.64940382698322 15.999 > 83 132 O 0.74516647280382 0.53720311645447 0.64940382698322 15.999 > 83 133 O 0.56880696545364 0.28908593093391 0.72297154265936 15.999 > 85 134 O 0.56880696545364 0.78908593093391 0.72297154265936 15.999 > 85 135 O 0.24516647280382 0.21279688354553 0.14940382698322 15.999 > 87 136 O 0.24516647280382 0.71279688354553 0.14940382698322 15.999 > 87 137 O 0.75483352719618 0.28720311645447 0.85059617301678 15.999 > 89 138 O 0.75483352719618 0.78720311645447 0.85059617301678 15.999 > 89 139 O 0.56401715196772 0.00039960962593 0.42571239426936 15.999 > 91 140 O 0.56401715196772 0.50039960962593 0.42571239426936 15.999 > 91 141 O 0.62676666634023 0.30793122240781 0.52213875712812 15.999 > 93 142 O 0.62676666634023 0.80793122240781 0.52213875712812 15.999 > 93 143 O 0.65489366453221 0.43585570060357 0.73497713456105 15.999 > 95 144 O 0.65489366453221 0.93585570060357 0.73497713456105 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7859954 0.0000000 0.0356721 0.0000000 2.7685756 0.0000000 0.0356699 0.0000000 2.7418865 -------------------------- Born effective charges -------------------------- 1 Li 1.1605511 0.0000000 -0.1046216 -0.0000000 1.0954494 0.0000000 -0.1284166 0.0000000 1.0670065 2 Li 1.1605511 0.0000000 -0.1046216 -0.0000000 1.0954494 0.0000000 -0.1284166 0.0000000 1.0670065 3 Ho 3.9769965 0.0000000 -0.4535896 -0.0000000 3.8729625 0.0000000 -0.2413098 0.0000000 4.4158540 4 Ho 3.9769965 0.0000000 -0.4535896 -0.0000000 3.8729625 0.0000000 -0.2413098 0.0000000 4.4158540 5 P 3.7501358 -0.2841145 0.1421337 0.4015530 3.6545456 -0.1493523 0.7869019 0.2894904 3.2522282 6 P 3.6011083 -0.0915591 0.7449959 0.1844592 3.8055702 -0.2748218 -0.0572168 -0.2760737 3.4074946 7 P 3.6011083 0.0915591 0.7449959 -0.1844592 3.8055702 0.2748218 -0.0572168 0.2760737 3.4074946 8 P 3.6011083 0.0915591 0.7449959 -0.1844592 3.8055702 0.2748218 -0.0572168 0.2760737 3.4074946 9 P 3.7501358 0.2841145 0.1421337 -0.4015530 3.6545456 0.1493523 0.7869019 -0.2894904 3.2522282 10 P 3.7501358 -0.2841145 0.1421337 0.4015530 3.6545456 -0.1493523 0.7869019 0.2894904 3.2522282 11 P 3.7501358 0.2841145 0.1421337 -0.4015530 3.6545456 0.1493523 0.7869019 -0.2894904 3.2522282 12 P 3.6011083 -0.0915591 0.7449959 0.1844592 3.8055702 -0.2748218 -0.0572168 -0.2760737 3.4074946 13 O -1.0094290 -0.1160634 0.0583521 -0.2336033 -2.9736871 0.3961535 0.0497785 0.2665698 -1.1117822 14 O -1.0969293 0.0004919 -0.1195210 0.0383211 -1.4091231 0.2823533 -0.1261636 0.4209364 -2.1308588 15 O -2.1104541 0.4866417 0.1821709 0.6000382 -1.7008913 -0.1430451 0.2564058 -0.1243464 -1.0202753 16 O -1.0094290 0.1160634 0.0583521 0.2336033 -2.9736871 -0.3961535 0.0497785 -0.2665698 -1.1117822 17 O -1.9933658 0.6264802 0.3099277 0.5541075 -1.6590482 -0.3328800 0.1556941 -0.2887741 -1.0954570 18 O -1.0820349 0.0487833 0.0023506 0.0340179 -1.1128944 0.1376482 0.1567989 0.1511600 -2.4481167 19 O -1.0820349 -0.0487833 0.0023506 -0.0340179 -1.1128944 -0.1376482 0.1567989 -0.1511600 -2.4481167 20 O -1.9933658 -0.6264802 0.3099277 -0.5541075 -1.6590482 0.3328800 0.1556941 0.2887741 -1.0954570 21 O -1.9933658 -0.6264802 0.3099277 -0.5541075 -1.6590482 0.3328800 0.1556941 0.2887741 -1.0954570 22 O -2.1104541 0.4866417 0.1821709 0.6000382 -1.7008913 -0.1430451 0.2564058 -0.1243464 -1.0202753 23 O -2.6278047 -0.3644978 -1.0413044 -0.6323753 -1.0886775 -0.4375472 -1.0373356 -0.3391824 -1.5946630 24 O -1.0094290 0.1160634 0.0583521 0.2336033 -2.9736871 -0.3961535 0.0497785 -0.2665698 -1.1117822 25 O -1.0969293 -0.0004919 -0.1195210 -0.0383211 -1.4091231 -0.2823533 -0.1261636 -0.4209364 -2.1308588 26 O -2.1104541 -0.4866417 0.1821709 -0.6000382 -1.7008913 0.1430451 0.2564058 0.1243464 -1.0202753 27 O -1.0820349 -0.0487833 0.0023506 -0.0340179 -1.1128944 -0.1376482 0.1567989 -0.1511600 -2.4481167 28 O -1.9933658 0.6264802 0.3099277 0.5541075 -1.6590482 -0.3328800 0.1556941 -0.2887741 -1.0954570 29 O -1.0969293 0.0004919 -0.1195210 0.0383211 -1.4091231 0.2823533 -0.1261636 0.4209364 -2.1308588 30 O -2.6278047 -0.3644978 -1.0413044 -0.6323753 -1.0886775 -0.4375472 -1.0373356 -0.3391824 -1.5946630 31 O -2.1104541 -0.4866417 0.1821709 -0.6000382 -1.7008913 0.1430451 0.2564058 0.1243464 -1.0202753 32 O -2.6278047 0.3644978 -1.0413044 0.6323753 -1.0886775 0.4375472 -1.0373356 0.3391824 -1.5946630 33 O -2.6278047 0.3644978 -1.0413044 0.6323753 -1.0886775 0.4375472 -1.0373356 0.3391824 -1.5946630 34 O -1.0969293 -0.0004919 -0.1195210 -0.0383211 -1.4091231 -0.2823533 -0.1261636 -0.4209364 -2.1308588 35 O -1.0820349 0.0487833 0.0023506 0.0340179 -1.1128944 0.1376482 0.1567989 0.1511600 -2.4481167 36 O -1.0094290 -0.1160634 0.0583521 -0.2336033 -2.9736871 0.3961535 0.0497785 0.2665698 -1.1117822 ---------------------------------------------------------------------------- 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 59, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:03:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:03:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.098423655078335 -3.503363240000000 0.000000000000000 b 8.098423655078335 3.503363240000000 0.000000000000000 c -5.606107322373748 0.000000000000000 7.712445672245950 Atomic positions (fractional): 1 Li 0.29207808855393 0.70792191144607 0.25000000000000 6.941 2 Li 0.70792191144607 0.29207808855393 0.75000000000000 6.941 3 Ho 0.79465825742391 0.20534174257609 0.25000000000000 164.930 4 Ho 0.20534174257609 0.79465825742391 0.75000000000000 164.930 5 P 0.41365730058815 0.31362733176382 0.38454896368040 30.974 6 P 0.99865638201408 0.29126432088068 0.69321865058548 30.974 7 P 0.70873567911932 0.00134361798592 0.80678134941452 30.974 8 P 0.29126432088068 0.99865638201408 0.19321865058548 30.974 9 P 0.31362733176382 0.41365730058815 0.88454896368040 30.974 10 P 0.58634269941185 0.68637266823618 0.61545103631960 30.974 11 P 0.68637266823618 0.58634269941185 0.11545103631960 30.974 12 P 0.00134361798592 0.70873567911932 0.30678134941452 30.974 13 O 0.21681773667492 0.47339493426066 0.26502286543895 15.999 14 O 0.56481637121958 0.56321793271587 0.92571239426936 15.999 15 O 0.14697882732146 0.99063510358583 0.22297154265936 15.999 16 O 0.47339493426066 0.21681773667492 0.76502286543895 15.999 17 O 0.60410619471077 0.17195527269142 0.31628924308246 15.999 18 O 0.98909577847539 0.75737088884416 0.47786124287188 15.999 19 O 0.24262911115584 0.01090422152461 0.02213875712812 15.999 20 O 0.17195527269142 0.60410619471077 0.81628924308246 15.999 21 O 0.82804472730858 0.39589380528923 0.18371075691754 15.999 22 O 0.85302117267854 0.00936489641417 0.77702845734064 15.999 23 O 0.32923976010511 0.18042729428724 0.35059617301678 15.999 24 O 0.52660506573934 0.78318226332508 0.23497713456105 15.999 25 O 0.43678206728413 0.43518362878042 0.57428760573064 15.999 26 O 0.00936489641417 0.85302117267854 0.27702845734064 15.999 27 O 0.75737088884416 0.98909577847539 0.97786124287188 15.999 28 O 0.39589380528923 0.82804472730858 0.68371075691754 15.999 29 O 0.43518362878042 0.43678206728413 0.07428760573064 15.999 30 O 0.67076023989489 0.81957270571276 0.64940382698322 15.999 31 O 0.99063510358583 0.14697882732146 0.72297154265936 15.999 32 O 0.81957270571276 0.67076023989489 0.14940382698322 15.999 33 O 0.18042729428724 0.32923976010511 0.85059617301678 15.999 34 O 0.56321793271587 0.56481637121958 0.42571239426936 15.999 35 O 0.01090422152461 0.24262911115584 0.52213875712812 15.999 36 O 0.78318226332508 0.52660506573934 0.73497713456105 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.196847310156670 0.000000000000000 0.000000000000000 b 0.000000000000000 14.013452959999999 0.000000000000000 c -5.606107322373748 0.000000000000000 7.712445672245950 Atomic positions (fractional): 1 Li 0.00000000000000 0.35396095572303 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.85396095572303 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.14603904427697 0.75000000000000 6.941 > 3 4 Li 0.00000000000000 0.64603904427697 0.75000000000000 6.941 > 3 5 Li 0.50000000000000 0.10396095572303 0.25000000000000 6.941 > 1 6 Li 0.50000000000000 0.60396095572303 0.25000000000000 6.941 > 1 7 Li 0.50000000000000 0.39603904427697 0.75000000000000 6.941 > 3 8 Li 0.50000000000000 0.89603904427697 0.75000000000000 6.941 > 3 9 Ho 0.00000000000000 0.10267087128804 0.25000000000000 164.930 > 9 10 Ho 0.00000000000000 0.60267087128804 0.25000000000000 164.930 > 9 11 Ho 0.00000000000000 0.39732912871196 0.75000000000000 164.930 > 11 12 Ho 0.00000000000000 0.89732912871196 0.75000000000000 164.930 > 11 13 Ho 0.50000000000000 0.35267087128804 0.25000000000000 164.930 > 9 14 Ho 0.50000000000000 0.85267087128804 0.25000000000000 164.930 > 9 15 Ho 0.50000000000000 0.14732912871196 0.75000000000000 164.930 > 11 16 Ho 0.50000000000000 0.64732912871196 0.75000000000000 164.930 > 11 17 P 0.86364231617598 0.22499250779392 0.38454896368040 30.974 > 17 18 P 0.86364231617598 0.72499250779392 0.38454896368040 30.974 > 17 19 P 0.14496035144738 0.07315198471665 0.69321865058548 30.974 > 19 20 P 0.14496035144738 0.57315198471665 0.69321865058548 30.974 > 19 21 P 0.35503964855262 0.32315198471665 0.80678134941452 30.974 > 21 22 P 0.35503964855262 0.82315198471665 0.80678134941452 30.974 > 21 23 P 0.64496035144738 0.17684801528335 0.19321865058548 30.974 > 23 24 P 0.64496035144738 0.67684801528335 0.19321865058548 30.974 > 23 25 P 0.36364231617599 0.02500749220608 0.88454896368040 30.974 > 25 26 P 0.36364231617599 0.52500749220608 0.88454896368040 30.974 > 25 27 P 0.13635768382402 0.27500749220608 0.61545103631960 30.974 > 27 28 P 0.13635768382402 0.77500749220608 0.61545103631960 30.974 > 27 29 P 0.63635768382402 0.47499250779392 0.11545103631960 30.974 > 29 30 P 0.63635768382402 0.97499250779392 0.11545103631960 30.974 > 29 31 P 0.85503964855262 0.42684801528335 0.30678134941452 30.974 > 31 32 P 0.85503964855262 0.92684801528335 0.30678134941452 30.974 > 31 33 P 0.36364231617599 0.47499250779392 0.38454896368040 30.974 > 17 34 P 0.36364231617599 0.97499250779392 0.38454896368040 30.974 > 17 35 P 0.64496035144738 0.32315198471665 0.69321865058548 30.974 > 19 36 P 0.64496035144738 0.82315198471665 0.69321865058548 30.974 > 19 37 P 0.85503964855262 0.07315198471665 0.80678134941452 30.974 > 21 38 P 0.85503964855262 0.57315198471665 0.80678134941452 30.974 > 21 39 P 0.14496035144738 0.42684801528335 0.19321865058548 30.974 > 23 40 P 0.14496035144738 0.92684801528335 0.19321865058548 30.974 > 23 41 P 0.86364231617598 0.27500749220608 0.88454896368040 30.974 > 25 42 P 0.86364231617598 0.77500749220608 0.88454896368040 30.974 > 25 43 P 0.63635768382402 0.02500749220608 0.61545103631960 30.974 > 27 44 P 0.63635768382402 0.52500749220608 0.61545103631960 30.974 > 27 45 P 0.13635768382402 0.22499250779392 0.11545103631960 30.974 > 29 46 P 0.13635768382402 0.72499250779392 0.11545103631960 30.974 > 29 47 P 0.35503964855262 0.17684801528335 0.30678134941452 30.974 > 31 48 P 0.35503964855262 0.67684801528335 0.30678134941452 30.974 > 31 49 O 0.84510633546779 0.31414429939643 0.26502286543895 15.999 > 49 50 O 0.84510633546779 0.81414429939643 0.26502286543895 15.999 > 49 51 O 0.06401715196772 0.24960039037407 0.92571239426936 15.999 > 51 52 O 0.06401715196772 0.74960039037407 0.92571239426936 15.999 > 51 53 O 0.06880696545364 0.46091406906609 0.22297154265936 15.999 > 53 54 O 0.06880696545364 0.96091406906609 0.22297154265936 15.999 > 53 55 O 0.34510633546779 0.43585570060357 0.76502286543895 15.999 > 55 56 O 0.34510633546779 0.93585570060357 0.76502286543895 15.999 > 55 57 O 0.88803073370109 0.14196226949516 0.31628924308246 15.999 > 57 58 O 0.88803073370109 0.64196226949516 0.31628924308246 15.999 > 57 59 O 0.87323333365977 0.44206877759219 0.47786124287188 15.999 > 59 60 O 0.87323333365977 0.94206877759219 0.47786124287188 15.999 > 59 61 O 0.62676666634023 0.19206877759219 0.02213875712812 15.999 > 61 62 O 0.62676666634023 0.69206877759219 0.02213875712812 15.999 > 61 63 O 0.38803073370109 0.10803773050484 0.81628924308246 15.999 > 63 64 O 0.38803073370109 0.60803773050484 0.81628924308246 15.999 > 63 65 O 0.61196926629891 0.39196226949516 0.18371075691754 15.999 > 65 66 O 0.61196926629891 0.89196226949516 0.18371075691754 15.999 > 65 67 O 0.93119303454636 0.03908593093391 0.77702845734064 15.999 > 67 68 O 0.93119303454636 0.53908593093391 0.77702845734064 15.999 > 67 69 O 0.75483352719618 0.21279688354553 0.35059617301678 15.999 > 69 70 O 0.75483352719618 0.71279688354553 0.35059617301678 15.999 > 69 71 O 0.65489366453221 0.06414429939643 0.23497713456105 15.999 > 71 72 O 0.65489366453221 0.56414429939643 0.23497713456105 15.999 > 71 73 O 0.93598284803228 0.24960039037407 0.57428760573064 15.999 > 73 74 O 0.93598284803228 0.74960039037407 0.57428760573064 15.999 > 73 75 O 0.93119303454636 0.46091406906609 0.27702845734064 15.999 > 75 76 O 0.93119303454636 0.96091406906609 0.27702845734064 15.999 > 75 77 O 0.37323333365977 0.30793122240781 0.97786124287188 15.999 > 77 78 O 0.37323333365977 0.80793122240781 0.97786124287188 15.999 > 77 79 O 0.11196926629891 0.35803773050484 0.68371075691754 15.999 > 79 80 O 0.11196926629891 0.85803773050484 0.68371075691754 15.999 > 79 81 O 0.93598284803228 0.25039960962593 0.07428760573064 15.999 > 81 82 O 0.93598284803228 0.75039960962593 0.07428760573064 15.999 > 81 83 O 0.24516647280382 0.28720311645447 0.64940382698322 15.999 > 83 84 O 0.24516647280382 0.78720311645447 0.64940382698322 15.999 > 83 85 O 0.06880696545364 0.03908593093391 0.72297154265936 15.999 > 85 86 O 0.06880696545364 0.53908593093391 0.72297154265936 15.999 > 85 87 O 0.74516647280382 0.46279688354553 0.14940382698322 15.999 > 87 88 O 0.74516647280382 0.96279688354553 0.14940382698322 15.999 > 87 89 O 0.25483352719618 0.03720311645447 0.85059617301678 15.999 > 89 90 O 0.25483352719618 0.53720311645447 0.85059617301678 15.999 > 89 91 O 0.06401715196772 0.25039960962593 0.42571239426936 15.999 > 91 92 O 0.06401715196772 0.75039960962593 0.42571239426936 15.999 > 91 93 O 0.12676666634023 0.05793122240781 0.52213875712812 15.999 > 93 94 O 0.12676666634023 0.55793122240781 0.52213875712812 15.999 > 93 95 O 0.15489366453221 0.18585570060357 0.73497713456105 15.999 > 95 96 O 0.15489366453221 0.68585570060357 0.73497713456105 15.999 > 95 97 O 0.34510633546779 0.06414429939643 0.26502286543895 15.999 > 49 98 O 0.34510633546779 0.56414429939643 0.26502286543895 15.999 > 49 99 O 0.56401715196772 0.49960039037407 0.92571239426936 15.999 > 51 100 O 0.56401715196772 0.99960039037407 0.92571239426936 15.999 > 51 101 O 0.56880696545364 0.21091406906609 0.22297154265936 15.999 > 53 102 O 0.56880696545364 0.71091406906609 0.22297154265936 15.999 > 53 103 O 0.84510633546779 0.18585570060357 0.76502286543895 15.999 > 55 104 O 0.84510633546779 0.68585570060357 0.76502286543895 15.999 > 55 105 O 0.38803073370109 0.39196226949516 0.31628924308246 15.999 > 57 106 O 0.38803073370109 0.89196226949516 0.31628924308246 15.999 > 57 107 O 0.37323333365977 0.19206877759219 0.47786124287188 15.999 > 59 108 O 0.37323333365977 0.69206877759219 0.47786124287188 15.999 > 59 109 O 0.12676666634023 0.44206877759219 0.02213875712812 15.999 > 61 110 O 0.12676666634023 0.94206877759219 0.02213875712812 15.999 > 61 111 O 0.88803073370109 0.35803773050484 0.81628924308246 15.999 > 63 112 O 0.88803073370109 0.85803773050484 0.81628924308246 15.999 > 63 113 O 0.11196926629891 0.14196226949516 0.18371075691754 15.999 > 65 114 O 0.11196926629891 0.64196226949516 0.18371075691754 15.999 > 65 115 O 0.43119303454636 0.28908593093391 0.77702845734064 15.999 > 67 116 O 0.43119303454636 0.78908593093391 0.77702845734064 15.999 > 67 117 O 0.25483352719618 0.46279688354553 0.35059617301678 15.999 > 69 118 O 0.25483352719618 0.96279688354553 0.35059617301678 15.999 > 69 119 O 0.15489366453221 0.31414429939643 0.23497713456105 15.999 > 71 120 O 0.15489366453221 0.81414429939643 0.23497713456105 15.999 > 71 121 O 0.43598284803228 0.49960039037407 0.57428760573064 15.999 > 73 122 O 0.43598284803228 0.99960039037407 0.57428760573064 15.999 > 73 123 O 0.43119303454636 0.21091406906609 0.27702845734064 15.999 > 75 124 O 0.43119303454636 0.71091406906609 0.27702845734064 15.999 > 75 125 O 0.87323333365977 0.05793122240781 0.97786124287188 15.999 > 77 126 O 0.87323333365977 0.55793122240781 0.97786124287188 15.999 > 77 127 O 0.61196926629891 0.10803773050484 0.68371075691754 15.999 > 79 128 O 0.61196926629891 0.60803773050484 0.68371075691754 15.999 > 79 129 O 0.43598284803228 0.00039960962593 0.07428760573064 15.999 > 81 130 O 0.43598284803228 0.50039960962593 0.07428760573064 15.999 > 81 131 O 0.74516647280382 0.03720311645447 0.64940382698322 15.999 > 83 132 O 0.74516647280382 0.53720311645447 0.64940382698322 15.999 > 83 133 O 0.56880696545364 0.28908593093391 0.72297154265936 15.999 > 85 134 O 0.56880696545364 0.78908593093391 0.72297154265936 15.999 > 85 135 O 0.24516647280382 0.21279688354553 0.14940382698322 15.999 > 87 136 O 0.24516647280382 0.71279688354553 0.14940382698322 15.999 > 87 137 O 0.75483352719618 0.28720311645447 0.85059617301678 15.999 > 89 138 O 0.75483352719618 0.78720311645447 0.85059617301678 15.999 > 89 139 O 0.56401715196772 0.00039960962593 0.42571239426936 15.999 > 91 140 O 0.56401715196772 0.50039960962593 0.42571239426936 15.999 > 91 141 O 0.62676666634023 0.30793122240781 0.52213875712812 15.999 > 93 142 O 0.62676666634023 0.80793122240781 0.52213875712812 15.999 > 93 143 O 0.65489366453221 0.43585570060357 0.73497713456105 15.999 > 95 144 O 0.65489366453221 0.93585570060357 0.73497713456105 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7859954 0.0000000 0.0356721 0.0000000 2.7685756 0.0000000 0.0356699 0.0000000 2.7418865 -------------------------- Born effective charges -------------------------- 1 Li 1.1605511 0.0000000 -0.1046216 -0.0000000 1.0954494 0.0000000 -0.1284166 0.0000000 1.0670065 2 Li 1.1605511 0.0000000 -0.1046216 -0.0000000 1.0954494 0.0000000 -0.1284166 0.0000000 1.0670065 3 Ho 3.9769965 0.0000000 -0.4535896 -0.0000000 3.8729625 0.0000000 -0.2413098 0.0000000 4.4158540 4 Ho 3.9769965 0.0000000 -0.4535896 -0.0000000 3.8729625 0.0000000 -0.2413098 0.0000000 4.4158540 5 P 3.7501358 -0.2841145 0.1421337 0.4015530 3.6545456 -0.1493523 0.7869019 0.2894904 3.2522282 6 P 3.6011083 -0.0915591 0.7449959 0.1844592 3.8055702 -0.2748218 -0.0572168 -0.2760737 3.4074946 7 P 3.6011083 0.0915591 0.7449959 -0.1844592 3.8055702 0.2748218 -0.0572168 0.2760737 3.4074946 8 P 3.6011083 0.0915591 0.7449959 -0.1844592 3.8055702 0.2748218 -0.0572168 0.2760737 3.4074946 9 P 3.7501358 0.2841145 0.1421337 -0.4015530 3.6545456 0.1493523 0.7869019 -0.2894904 3.2522282 10 P 3.7501358 -0.2841145 0.1421337 0.4015530 3.6545456 -0.1493523 0.7869019 0.2894904 3.2522282 11 P 3.7501358 0.2841145 0.1421337 -0.4015530 3.6545456 0.1493523 0.7869019 -0.2894904 3.2522282 12 P 3.6011083 -0.0915591 0.7449959 0.1844592 3.8055702 -0.2748218 -0.0572168 -0.2760737 3.4074946 13 O -1.0094290 -0.1160634 0.0583521 -0.2336033 -2.9736871 0.3961535 0.0497785 0.2665698 -1.1117822 14 O -1.0969293 0.0004919 -0.1195210 0.0383211 -1.4091231 0.2823533 -0.1261636 0.4209364 -2.1308588 15 O -2.1104541 0.4866417 0.1821709 0.6000382 -1.7008913 -0.1430451 0.2564058 -0.1243464 -1.0202753 16 O -1.0094290 0.1160634 0.0583521 0.2336033 -2.9736871 -0.3961535 0.0497785 -0.2665698 -1.1117822 17 O -1.9933658 0.6264802 0.3099277 0.5541075 -1.6590482 -0.3328800 0.1556941 -0.2887741 -1.0954570 18 O -1.0820349 0.0487833 0.0023506 0.0340179 -1.1128944 0.1376482 0.1567989 0.1511600 -2.4481167 19 O -1.0820349 -0.0487833 0.0023506 -0.0340179 -1.1128944 -0.1376482 0.1567989 -0.1511600 -2.4481167 20 O -1.9933658 -0.6264802 0.3099277 -0.5541075 -1.6590482 0.3328800 0.1556941 0.2887741 -1.0954570 21 O -1.9933658 -0.6264802 0.3099277 -0.5541075 -1.6590482 0.3328800 0.1556941 0.2887741 -1.0954570 22 O -2.1104541 0.4866417 0.1821709 0.6000382 -1.7008913 -0.1430451 0.2564058 -0.1243464 -1.0202753 23 O -2.6278047 -0.3644978 -1.0413044 -0.6323753 -1.0886775 -0.4375472 -1.0373356 -0.3391824 -1.5946630 24 O -1.0094290 0.1160634 0.0583521 0.2336033 -2.9736871 -0.3961535 0.0497785 -0.2665698 -1.1117822 25 O -1.0969293 -0.0004919 -0.1195210 -0.0383211 -1.4091231 -0.2823533 -0.1261636 -0.4209364 -2.1308588 26 O -2.1104541 -0.4866417 0.1821709 -0.6000382 -1.7008913 0.1430451 0.2564058 0.1243464 -1.0202753 27 O -1.0820349 -0.0487833 0.0023506 -0.0340179 -1.1128944 -0.1376482 0.1567989 -0.1511600 -2.4481167 28 O -1.9933658 0.6264802 0.3099277 0.5541075 -1.6590482 -0.3328800 0.1556941 -0.2887741 -1.0954570 29 O -1.0969293 0.0004919 -0.1195210 0.0383211 -1.4091231 0.2823533 -0.1261636 0.4209364 -2.1308588 30 O -2.6278047 -0.3644978 -1.0413044 -0.6323753 -1.0886775 -0.4375472 -1.0373356 -0.3391824 -1.5946630 31 O -2.1104541 -0.4866417 0.1821709 -0.6000382 -1.7008913 0.1430451 0.2564058 0.1243464 -1.0202753 32 O -2.6278047 0.3644978 -1.0413044 0.6323753 -1.0886775 0.4375472 -1.0373356 0.3391824 -1.5946630 33 O -2.6278047 0.3644978 -1.0413044 0.6323753 -1.0886775 0.4375472 -1.0373356 0.3391824 -1.5946630 34 O -1.0969293 -0.0004919 -0.1195210 -0.0383211 -1.4091231 -0.2823533 -0.1261636 -0.4209364 -2.1308588 35 O -1.0820349 0.0487833 0.0023506 0.0340179 -1.1128944 0.1376482 0.1567989 0.1511600 -2.4481167 36 O -1.0094290 -0.1160634 0.0583521 -0.2336033 -2.9736871 0.3961535 0.0497785 0.2665698 -1.1117822 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 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: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.064 ( 0.000 0.000 0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 3.961 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.353 ( 0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 4.979 ( 0.000 0.000 0.000) 0.000 5.158 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.441 ( 0.000 0.000 0.000) 0.000 5.749 ( 0.000 0.000 0.000) 0.000 5.867 ( 0.000 0.000 0.000) 0.000 5.917 ( 0.000 0.000 0.000) 0.000 5.935 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.617 ( 0.000 0.000 0.000) 0.000 6.713 ( 0.000 0.000 0.000) 0.000 7.623 ( 0.000 0.000 0.000) 0.000 8.054 ( 0.000 0.000 0.000) 0.000 8.325 ( 0.000 0.000 0.000) 0.000 8.377 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 8.956 ( 0.000 0.000 0.000) 0.000 9.128 ( 0.000 0.000 0.000) 0.000 9.202 ( 0.000 0.000 0.000) 0.000 9.385 ( 0.000 0.000 0.000) 0.000 9.728 ( 0.000 0.000 0.000) 0.000 9.774 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 9.984 ( 0.000 0.000 0.000) 0.000 10.363 ( 0.000 0.000 0.000) 0.000 10.419 ( 0.000 0.000 0.000) 0.000 11.192 ( 0.000 0.000 0.000) 0.000 11.203 ( 0.000 0.000 0.000) 0.000 11.223 ( 0.000 0.000 0.000) 0.000 11.259 ( 0.000 0.000 0.000) 0.000 11.470 ( 0.000 0.000 0.000) 0.000 11.656 ( 0.000 0.000 0.000) 0.000 11.677 ( 0.000 0.000 0.000) 0.000 12.098 ( 0.000 0.000 0.000) 0.000 12.310 ( 0.000 0.000 0.000) 0.000 12.452 ( 0.000 0.000 0.000) 0.000 12.527 ( 0.000 0.000 0.000) 0.000 12.951 ( 0.000 0.000 0.000) 0.000 13.102 ( 0.000 0.000 0.000) 0.000 13.104 ( 0.000 0.000 0.000) 0.000 13.452 ( 0.000 0.000 0.000) 0.000 13.720 ( 0.000 0.000 0.000) 0.000 13.720 ( 0.000 0.000 0.000) 0.000 14.287 ( 0.000 0.000 0.000) 0.000 14.580 ( 0.000 0.000 0.000) 0.000 14.618 ( 0.000 0.000 0.000) 0.000 14.748 ( 0.000 0.000 0.000) 0.000 15.087 ( 0.000 0.000 0.000) 0.000 15.186 ( 0.000 0.000 0.000) 0.000 15.536 ( 0.000 0.000 0.000) 0.000 16.271 ( 0.000 0.000 0.000) 0.000 16.622 ( 0.000 0.000 0.000) 0.000 16.743 ( 0.000 0.000 0.000) 0.000 16.960 ( 0.000 0.000 0.000) 0.000 17.158 ( 0.000 0.000 0.000) 0.000 17.160 ( 0.000 0.000 0.000) 0.000 17.259 ( 0.000 0.000 0.000) 0.000 19.723 ( 0.000 0.000 0.000) 0.000 20.179 ( 0.000 0.000 0.000) 0.000 20.867 ( 0.000 0.000 0.000) 0.000 20.977 ( 0.000 0.000 0.000) 0.000 21.902 ( 0.000 0.000 0.000) 0.000 22.331 ( 0.000 0.000 0.000) 0.000 23.193 ( 0.000 0.000 0.000) 0.000 23.544 ( 0.000 0.000 0.000) 0.000 26.966 ( 0.000 0.000 0.000) 0.000 26.976 ( 0.000 0.000 0.000) 0.000 29.295 ( 0.000 0.000 0.000) 0.000 29.415 ( 0.000 0.000 0.000) 0.000 30.360 ( 0.000 0.000 0.000) 0.000 30.770 ( 0.000 0.000 0.000) 0.000 30.911 ( 0.000 0.000 0.000) 0.000 30.952 ( 0.000 0.000 0.000) 0.000 31.507 ( 0.000 0.000 0.000) 0.000 31.738 ( 0.000 0.000 0.000) 0.000 31.899 ( 0.000 0.000 0.000) 0.000 32.035 ( 0.000 0.000 0.000) 0.000 32.485 ( 0.000 0.000 0.000) 0.000 32.681 ( 0.000 0.000 0.000) 0.000 33.619 ( 0.000 0.000 0.000) 0.000 34.145 ( 0.000 0.000 0.000) 0.000 35.317 ( 0.000 0.000 0.000) 0.000 35.425 ( 0.000 0.000 0.000) 0.000 35.543 ( 0.000 0.000 0.000) 0.000 36.143 ( 0.000 0.000 0.000) 0.000 36.145 ( 0.000 0.000 0.000) 0.000 36.221 ( 0.000 0.000 0.000) 0.000 36.521 ( 0.000 0.000 0.000) 0.000 38.461 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 13.292 -21.482 14.514) 29.135 0.720 ( 24.533 -22.824 20.376) 39.217 1.106 ( 17.778 -49.803 4.936) 53.111 2.166 ( 5.737 -4.345 7.962) 10.732 2.421 ( 2.943 -14.257 -1.846) 14.674 2.703 ( 0.354 5.744 0.705) 5.798 2.786 ( 0.514 9.573 0.655) 9.609 3.151 ( -1.101 10.983 -0.775) 11.065 3.526 ( 2.372 0.019 0.964) 2.560 3.571 ( -5.175 1.966 0.869) 5.603 3.636 ( 4.422 1.882 -0.953) 4.900 3.819 ( -7.418 -2.111 -9.700) 12.393 3.923 ( -4.640 0.347 1.624) 4.928 4.021 ( -3.659 -2.137 5.745) 7.139 4.307 ( -3.457 5.911 -6.128) 9.189 4.437 ( -5.532 -5.270 2.286) 7.975 4.575 ( -7.939 -5.024 -2.470) 9.714 4.831 ( 6.756 1.758 -3.336) 7.737 4.942 ( 5.587 -11.643 4.710) 13.746 5.066 ( -2.905 -4.714 -8.080) 9.795 5.285 ( 2.915 -1.869 5.177) 6.228 5.380 ( -6.278 1.056 -4.850) 8.004 5.457 ( 2.063 -3.212 0.737) 3.888 5.611 ( -8.916 5.476 -4.259) 11.296 5.838 ( 1.515 4.605 3.279) 5.852 5.926 ( 2.919 3.671 -0.127) 4.692 5.959 ( 6.198 2.713 -1.272) 6.885 6.378 ( 1.552 -2.337 1.226) 3.061 6.566 ( -0.753 4.495 -1.645) 4.845 6.713 ( -2.989 -1.806 -5.090) 6.173 7.667 ( 5.425 -0.022 7.592) 9.331 8.010 ( -7.625 2.315 -3.397) 8.663 8.231 ( 2.132 8.142 5.254) 9.922 8.446 ( -1.573 -2.636 2.125) 3.734 8.842 ( 12.436 2.797 0.881) 12.777 9.007 ( 2.205 -2.902 0.329) 3.659 9.157 ( 0.137 -1.852 0.862) 2.048 9.244 ( 1.406 -2.690 0.661) 3.106 9.404 ( 2.981 0.396 0.998) 3.168 9.683 ( -0.665 -0.706 -5.450) 5.536 9.794 ( 0.186 1.256 -5.172) 5.325 9.910 ( 8.851 2.406 12.198) 15.262 10.030 ( 0.696 -0.412 5.719) 5.776 10.338 ( -5.584 3.536 1.151) 6.709 10.416 ( 4.088 2.195 2.408) 5.227 10.994 ( -1.822 10.658 -3.811) 11.465 11.152 ( -2.564 2.657 -4.530) 5.845 11.220 ( 0.273 2.723 1.997) 3.388 11.392 ( -3.292 -3.560 -2.343) 5.385 11.489 ( 10.617 2.587 1.829) 11.080 11.640 ( 2.374 2.947 0.993) 3.912 11.698 ( 2.970 -1.332 -1.086) 3.431 12.081 ( -3.501 -2.105 -0.120) 4.087 12.338 ( 5.267 3.124 4.166) 7.406 12.507 ( 0.319 2.621 0.854) 2.775 12.661 ( 0.975 -4.224 1.828) 4.704 12.902 ( -0.401 4.826 0.591) 4.879 13.109 ( 0.992 4.652 0.799) 4.823 13.133 ( -0.206 -2.315 0.654) 2.415 13.529 ( -0.758 -1.870 0.274) 2.036 13.597 ( -0.614 5.315 -1.571) 5.576 13.805 ( -3.594 -6.772 -3.941) 8.620 14.281 ( 13.821 10.890 7.070) 18.963 14.569 ( 0.010 0.316 -0.041) 0.319 14.716 ( 0.183 -8.932 0.611) 8.955 15.174 ( -3.847 -7.962 -2.608) 9.219 15.297 ( 5.251 -10.174 2.279) 11.674 15.552 ( -6.359 -9.256 -3.131) 11.658 16.048 ( -7.015 8.031 -0.434) 10.672 16.217 ( 5.556 9.263 -1.831) 10.956 16.679 ( -1.106 6.253 -0.883) 6.411 16.973 ( -1.608 -3.323 -1.725) 4.075 17.197 ( -3.001 -3.272 -3.232) 5.491 17.209 ( -2.713 -4.526 0.456) 5.296 17.238 ( -0.033 -2.782 -3.171) 4.218 17.490 ( -19.536 -11.571 -11.858) 25.615 19.779 ( 0.440 -3.287 2.602) 4.215 20.215 ( -2.426 -4.925 -0.190) 5.493 20.765 ( 0.005 9.328 1.215) 9.406 20.977 ( 0.251 2.359 -0.119) 2.375 21.972 ( 6.054 -5.353 -3.791) 8.927 22.413 ( 0.758 -8.082 0.282) 8.123 23.136 ( -2.931 4.171 -2.148) 5.532 23.558 ( -2.476 4.031 -2.171) 5.205 27.052 ( 0.042 -9.521 0.029) 9.521 28.145 ( -62.654 -45.522 -50.695) 92.562 29.210 ( 0.993 13.679 5.956) 14.952 29.324 ( 0.981 11.248 0.745) 11.315 30.794 ( 7.420 4.474 13.471) 16.016 30.856 ( 4.360 -3.485 -2.669) 6.187 30.969 ( -0.843 -2.565 0.043) 2.700 31.143 ( 24.132 8.121 15.091) 29.598 31.773 ( -2.945 -2.299 -1.445) 4.006 31.800 ( 3.892 6.627 -1.703) 7.872 31.943 ( 0.107 9.392 1.885) 9.580 32.359 ( 5.971 -8.668 -8.536) 13.552 32.785 ( 2.469 -9.069 -0.035) 9.400 32.987 ( 41.408 34.061 59.446) 80.054 33.593 ( -1.193 2.872 -0.558) 3.160 34.105 ( 0.275 4.202 -1.192) 4.377 35.326 ( 0.005 -0.768 0.544) 0.941 35.437 ( -0.176 -1.358 -0.069) 1.371 35.551 ( -0.816 -1.007 0.913) 1.585 36.138 ( -4.267 0.193 4.296) 6.059 36.222 ( 4.447 0.410 -4.682) 6.471 36.489 ( -2.377 2.006 -1.558) 3.479 37.117 ( -15.090 -18.145 -19.795) 30.802 38.435 ( 3.683 6.490 1.776) 7.671 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 12.098 -22.357 14.576) 29.302 1.408 ( 20.395 -21.753 19.391) 35.569 1.987 ( 6.787 -29.784 -1.510) 30.584 2.319 ( 5.624 -5.416 5.934) 9.807 2.575 ( -7.642 -1.369 3.358) 8.459 2.734 ( 5.755 -6.337 6.200) 10.569 2.864 ( 6.674 -15.810 2.352) 17.321 2.993 ( 5.888 3.181 1.058) 6.776 3.477 ( 1.360 6.467 -1.502) 6.777 3.571 ( 3.821 0.232 -0.386) 3.847 3.648 ( 3.428 -1.130 -2.278) 4.269 3.717 ( -3.785 2.193 -7.785) 8.930 3.844 ( -4.850 4.423 -0.536) 6.586 3.997 ( -6.826 3.895 1.143) 7.942 4.171 ( -1.828 3.003 -2.323) 4.214 4.414 ( -5.897 1.117 -4.273) 7.368 4.569 ( -8.050 -0.449 -1.308) 8.168 4.799 ( 0.602 1.540 1.668) 2.349 4.988 ( -4.127 4.773 -4.777) 7.914 5.127 ( -1.874 -1.199 -2.286) 3.190 5.314 ( -3.655 -2.396 -1.256) 4.547 5.415 ( -1.426 -4.019 -2.474) 4.930 5.477 ( -2.428 -5.341 0.563) 5.894 5.644 ( 9.019 -4.839 2.295) 10.489 5.768 ( -0.682 2.487 2.263) 3.430 5.841 ( 3.158 8.665 -0.417) 9.232 5.914 ( 2.488 4.854 2.963) 6.207 6.433 ( -0.402 3.308 -2.890) 4.411 6.452 ( -0.901 -0.017 0.185) 0.920 6.670 ( -4.366 -0.683 -8.132) 9.255 7.764 ( 4.135 -0.084 6.776) 7.939 7.908 ( -0.788 1.752 0.576) 2.005 8.158 ( -0.008 3.013 1.904) 3.564 8.476 ( -1.534 -1.335 1.825) 2.732 8.889 ( 2.419 0.023 -1.004) 2.619 9.084 ( 6.283 -0.618 1.071) 6.404 9.178 ( -1.309 0.950 0.979) 1.890 9.319 ( 3.157 -5.282 3.605) 7.132 9.424 ( 3.142 0.575 0.176) 3.199 9.630 ( -0.594 3.661 -6.131) 7.166 9.803 ( 0.082 -2.123 0.647) 2.221 9.936 ( -2.410 -2.583 2.980) 4.622 10.116 ( -1.500 3.888 0.071) 4.168 10.211 ( 2.729 1.328 1.656) 3.457 10.439 ( 3.476 0.799 3.069) 4.705 10.785 ( -1.492 9.213 -1.598) 9.469 11.032 ( -2.154 5.207 -2.829) 6.305 11.193 ( -0.815 0.304 3.077) 3.198 11.381 ( -3.246 -0.683 -1.631) 3.696 11.533 ( 10.587 4.924 2.343) 11.909 11.623 ( 1.960 0.347 1.117) 2.282 11.757 ( 2.555 -4.651 -3.785) 6.518 12.171 ( -2.870 -9.996 0.052) 10.400 12.339 ( 3.794 2.965 2.882) 5.612 12.446 ( 0.225 5.142 1.957) 5.506 12.694 ( -3.673 1.159 -2.358) 4.516 12.808 ( 1.714 6.780 1.923) 7.253 12.957 ( -4.491 7.265 -7.970) 11.682 13.174 ( -0.159 -0.588 4.368) 4.410 13.528 ( 2.206 -1.742 -0.472) 2.850 13.592 ( -0.195 -2.029 0.498) 2.099 13.868 ( -3.624 -6.260 -5.813) 9.280 14.268 ( 13.163 7.775 8.949) 17.715 14.598 ( 0.140 -3.307 1.099) 3.487 14.896 ( 1.985 -8.926 0.919) 9.191 15.268 ( -5.801 -8.724 -4.400) 11.364 15.479 ( -3.240 -4.039 -3.654) 6.337 15.695 ( -2.083 -10.118 0.754) 10.357 15.902 ( 0.135 3.927 1.946) 4.385 16.061 ( 3.706 6.698 0.138) 7.656 16.523 ( -0.799 8.719 -1.349) 8.859 17.030 ( -2.390 -5.860 -3.233) 7.106 17.108 ( -10.819 0.547 -7.210) 13.013 17.277 ( 0.146 -4.049 -3.587) 5.411 17.341 ( 3.779 -3.520 3.050) 5.998 17.469 ( -6.155 -0.746 1.230) 6.321 19.884 ( 0.770 -5.609 4.063) 6.969 20.306 ( -3.814 -7.892 -0.488) 8.779 20.587 ( 0.431 11.091 1.095) 11.153 20.883 ( 0.261 7.824 0.252) 7.833 22.145 ( 4.621 -10.725 -2.588) 11.961 22.604 ( 0.751 -11.690 0.360) 11.720 22.992 ( -3.738 7.020 -2.881) 8.459 23.421 ( -1.024 8.368 -0.953) 8.484 27.298 ( 0.547 -17.160 0.765) 17.185 28.206 ( -28.275 -23.856 -23.505) 43.830 28.963 ( 2.657 18.288 2.896) 18.706 29.059 ( 0.721 18.552 2.785) 18.774 30.855 ( 1.390 -1.906 3.083) 3.882 30.954 ( -3.369 -7.720 -2.366) 8.749 31.035 ( -1.658 -6.102 -0.800) 6.374 31.288 ( 9.562 -2.200 5.852) 11.425 31.624 ( -2.832 7.064 -1.612) 7.779 31.760 ( 0.983 10.749 0.802) 10.824 31.880 ( 5.510 -2.666 0.902) 6.187 32.518 ( 7.711 -5.572 -0.446) 9.524 32.989 ( 8.272 -4.931 6.459) 11.596 33.056 ( 10.055 4.311 20.062) 22.851 33.506 ( -2.374 4.564 -1.119) 5.264 33.989 ( 0.315 7.793 -2.331) 8.140 35.348 ( 0.075 -1.198 0.843) 1.467 35.467 ( 0.241 -2.060 -0.820) 2.231 35.574 ( -1.096 -1.506 1.270) 2.254 36.127 ( -4.772 -0.048 5.199) 7.057 36.222 ( 5.111 0.559 -5.358) 7.426 36.406 ( -3.519 3.099 -2.436) 5.284 37.249 ( -9.644 -16.004 -9.158) 20.809 38.321 ( 6.367 11.996 3.265) 13.968 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 9.458 -21.004 13.233) 26.566 1.989 ( 14.093 -15.448 15.674) 26.133 2.212 ( -1.216 -5.834 -4.687) 7.582 2.531 ( 0.191 -4.331 5.330) 6.870 2.631 ( -5.258 -8.183 -2.275) 9.989 2.784 ( -2.360 0.253 5.205) 5.721 3.186 ( 11.851 -11.840 0.504) 16.759 3.308 ( 2.343 -3.456 -0.691) 4.232 3.331 ( 4.439 2.455 2.262) 5.554 3.501 ( -1.986 0.493 1.413) 2.487 3.634 ( -1.565 6.389 -0.519) 6.598 3.744 ( 8.123 -3.074 -4.642) 9.848 3.752 ( 1.409 -0.794 -1.361) 2.114 3.865 ( 0.388 1.152 -7.941) 8.033 4.076 ( -7.671 3.674 -0.245) 8.510 4.356 ( -4.726 -0.601 2.074) 5.196 4.432 ( -5.401 4.993 -2.796) 7.869 4.820 ( -1.373 1.534 -0.301) 2.080 4.873 ( -4.093 -2.389 -1.971) 5.132 5.071 ( 5.734 3.168 -2.351) 6.960 5.278 ( -0.883 2.279 -0.806) 2.574 5.433 ( -7.559 0.884 -6.104) 9.756 5.520 ( -5.853 2.099 -0.722) 6.260 5.626 ( 2.343 5.039 2.767) 6.208 5.736 ( 5.501 0.099 2.771) 6.160 5.878 ( -3.405 -1.145 3.725) 5.175 5.938 ( 9.330 -3.034 5.089) 11.052 6.289 ( -1.857 5.348 -4.357) 7.144 6.472 ( -6.736 -1.363 -2.309) 7.250 6.607 ( -0.058 -0.168 -5.294) 5.297 7.794 ( 1.152 -0.650 2.344) 2.692 7.962 ( 6.273 0.399 8.516) 10.585 8.138 ( -0.681 -0.234 -0.822) 1.093 8.455 ( -5.421 0.901 -4.878) 7.348 8.905 ( -0.819 -3.320 1.069) 3.583 9.122 ( 3.009 1.870 0.919) 3.660 9.139 ( -0.543 1.938 1.606) 2.575 9.416 ( 0.343 1.843 0.296) 1.898 9.492 ( 9.841 -3.768 2.774) 10.897 9.554 ( -2.936 -2.199 -5.363) 6.497 9.784 ( -5.238 1.722 3.620) 6.596 9.887 ( -3.032 12.010 -0.425) 12.394 10.081 ( 4.771 -9.325 -0.470) 10.486 10.310 ( 3.426 -2.835 -0.339) 4.460 10.432 ( -1.463 2.969 -0.813) 3.408 10.649 ( 1.203 4.881 1.128) 5.152 10.935 ( -0.286 3.189 -0.836) 3.309 11.240 ( -0.130 -2.885 4.776) 5.581 11.353 ( -1.558 0.761 -0.397) 1.779 11.523 ( 5.286 3.120 0.166) 6.141 11.655 ( 2.921 0.109 2.054) 3.572 11.865 ( 3.292 -6.467 -4.041) 8.306 12.290 ( -1.218 -1.971 0.848) 2.468 12.321 ( 1.741 4.364 0.700) 4.750 12.423 ( -4.092 -7.481 1.203) 8.611 12.561 ( -6.171 4.194 -4.106) 8.517 12.689 ( 1.572 9.284 0.395) 9.425 12.766 ( -1.751 6.261 -3.830) 7.545 13.203 ( 0.835 -0.067 2.446) 2.585 13.551 ( -1.876 -0.409 -1.228) 2.279 13.705 ( 5.508 -6.159 1.500) 8.398 13.912 ( -0.952 -4.610 -4.523) 6.528 14.273 ( 7.370 6.471 7.715) 12.478 14.673 ( -1.664 -3.254 1.606) 3.992 15.040 ( -0.452 -5.541 -0.726) 5.607 15.306 ( -4.478 -4.050 -4.570) 7.572 15.463 ( -1.772 -2.122 -0.969) 2.929 15.644 ( -0.383 10.780 -3.349) 11.295 15.972 ( -0.646 -9.130 -0.215) 9.156 16.164 ( 5.030 -4.217 7.458) 9.935 16.388 ( 2.390 3.676 -0.090) 4.386 16.932 ( -10.164 3.919 -8.551) 13.848 17.114 ( -1.703 -5.533 -0.598) 5.820 17.296 ( 0.896 0.563 -2.502) 2.716 17.427 ( 2.066 -1.766 2.046) 3.402 17.449 ( -2.487 0.121 2.309) 3.396 20.029 ( -0.110 -7.928 3.501) 8.667 20.391 ( 2.597 9.450 -3.288) 10.337 20.429 ( -5.740 -7.228 2.721) 9.623 20.730 ( 1.350 9.519 0.144) 9.615 22.371 ( 3.475 -11.702 -1.430) 12.291 22.787 ( -4.707 1.989 0.092) 5.111 22.849 ( 1.885 -5.505 -1.982) 6.147 23.245 ( -0.141 10.318 -0.043) 10.319 27.667 ( 1.456 -22.004 1.896) 22.133 28.288 ( -14.486 -14.655 -12.977) 24.352 28.602 ( -2.037 22.049 -1.219) 22.177 28.794 ( 4.782 15.203 5.476) 16.852 30.920 ( -1.161 -4.506 -0.673) 4.702 31.017 ( -2.159 -2.172 -0.379) 3.086 31.148 ( -0.930 -7.837 -1.314) 8.000 31.397 ( 2.836 -0.241 2.385) 3.714 31.500 ( -1.323 3.221 -0.131) 3.484 31.599 ( 1.286 7.937 0.750) 8.075 31.964 ( 4.093 -1.799 0.055) 4.471 32.658 ( 6.104 -3.217 1.862) 7.146 33.088 ( 6.189 2.857 10.138) 12.217 33.246 ( 0.693 -9.955 0.535) 9.994 33.407 ( -2.170 2.609 0.922) 3.517 33.815 ( 0.130 9.764 -3.051) 10.231 35.374 ( 0.113 -0.922 0.646) 1.131 35.498 ( 0.240 -1.534 -0.675) 1.693 35.598 ( -0.738 -1.138 0.925) 1.642 36.130 ( -2.952 -0.688 4.265) 5.232 36.220 ( 3.615 0.486 -3.945) 5.373 36.311 ( -2.978 2.740 -2.089) 4.555 37.417 ( -6.858 -13.516 -5.059) 15.978 38.160 ( 5.972 12.482 3.106) 14.182 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 0.000 -0.000 0.000) 0.000 2.127 ( -0.000 0.000 -0.000) 0.000 2.256 ( 0.000 -0.000 0.000) 0.000 2.556 ( 0.000 0.000 -0.000) 0.000 2.643 ( 0.000 -0.000 0.000) 0.000 2.947 ( 0.000 -0.000 -0.000) 0.000 3.048 ( -0.000 -0.000 0.000) 0.000 3.344 ( 0.000 -0.000 0.000) 0.000 3.424 ( -0.000 0.000 -0.000) 0.000 3.473 ( -0.000 -0.000 0.000) 0.000 3.642 ( 0.000 -0.000 0.000) 0.000 3.739 ( -0.000 0.000 -0.000) 0.000 3.782 ( -0.000 -0.000 0.000) 0.000 3.910 ( 0.000 -0.000 0.000) 0.000 3.995 ( 0.000 -0.000 0.000) 0.000 4.298 ( 0.000 -0.000 0.000) 0.000 4.420 ( 0.000 -0.000 -0.000) 0.000 4.783 ( 0.000 -0.000 -0.000) 0.000 4.900 ( 0.000 -0.000 0.000) 0.000 5.139 ( 0.000 -0.000 -0.000) 0.000 5.166 ( -0.000 0.000 0.000) 0.000 5.294 ( -0.000 -0.000 0.000) 0.000 5.492 ( 0.000 -0.000 0.000) 0.000 5.599 ( 0.000 -0.000 0.000) 0.000 5.776 ( 0.000 -0.000 -0.000) 0.000 5.906 ( 0.000 -0.000 0.000) 0.000 6.024 ( 0.000 -0.000 0.000) 0.000 6.211 ( 0.000 -0.000 0.000) 0.000 6.422 ( -0.000 -0.000 -0.000) 0.000 6.606 ( 0.000 -0.000 0.000) 0.000 7.825 ( 0.000 -0.000 0.000) 0.000 8.022 ( 0.000 -0.000 0.000) 0.000 8.134 ( 0.000 -0.000 -0.000) 0.000 8.378 ( 0.000 -0.000 0.000) 0.000 8.980 ( 0.000 -0.000 -0.000) 0.000 9.064 ( 0.000 -0.000 0.000) 0.000 9.145 ( 0.000 -0.000 0.000) 0.000 9.395 ( 0.000 -0.000 0.000) 0.000 9.574 ( -0.000 -0.000 0.000) 0.000 9.588 ( 0.000 -0.000 0.000) 0.000 9.736 ( -0.000 -0.000 0.000) 0.000 9.746 ( 0.000 -0.000 0.000) 0.000 10.260 ( 0.000 -0.000 0.000) 0.000 10.318 ( -0.000 0.000 0.000) 0.000 10.344 ( -0.000 -0.000 -0.000) 0.000 10.625 ( 0.000 -0.000 0.000) 0.000 10.904 ( 0.000 -0.000 0.000) 0.000 11.304 ( 0.000 -0.000 0.000) 0.000 11.327 ( 0.000 -0.000 -0.000) 0.000 11.514 ( -0.000 -0.000 0.000) 0.000 11.674 ( 0.000 -0.000 0.000) 0.000 11.934 ( 0.000 -0.000 0.000) 0.000 12.271 ( -0.000 -0.000 0.000) 0.000 12.336 ( 0.000 -0.000 0.000) 0.000 12.400 ( -0.000 -0.000 0.000) 0.000 12.593 ( 0.000 -0.000 0.000) 0.000 12.620 ( -0.000 -0.000 0.000) 0.000 12.621 ( 0.000 0.000 -0.000) 0.000 13.214 ( 0.000 -0.000 -0.000) 0.000 13.539 ( 0.000 -0.000 -0.000) 0.000 13.791 ( 0.000 -0.000 0.000) 0.000 13.967 ( 0.000 -0.000 0.000) 0.000 14.249 ( 0.000 -0.000 0.000) 0.000 14.688 ( 0.000 -0.000 0.000) 0.000 15.081 ( 0.000 -0.000 -0.000) 0.000 15.371 ( -0.000 -0.000 0.000) 0.000 15.435 ( 0.000 -0.000 0.000) 0.000 15.513 ( 0.000 -0.000 0.000) 0.000 16.084 ( 0.000 -0.000 0.000) 0.000 16.176 ( -0.000 -0.000 0.000) 0.000 16.456 ( 0.000 -0.000 0.000) 0.000 16.787 ( -0.000 -0.000 -0.000) 0.000 17.171 ( -0.000 -0.000 0.000) 0.000 17.271 ( 0.000 -0.000 0.000) 0.000 17.447 ( 0.000 0.000 -0.000) 0.000 17.457 ( -0.000 -0.000 0.000) 0.000 20.190 ( 0.000 0.000 -0.000) 0.000 20.215 ( 0.000 -0.000 0.000) 0.000 20.537 ( -0.000 -0.000 0.000) 0.000 20.602 ( 0.000 0.000 0.000) 0.000 22.560 ( 0.000 -0.000 0.000) 0.000 22.632 ( 0.000 -0.000 0.000) 0.000 23.029 ( 0.000 -0.000 -0.000) 0.000 23.069 ( 0.000 0.000 0.000) 0.000 28.047 ( 0.000 0.000 0.000) 0.000 28.185 ( 0.000 -0.000 0.000) 0.000 28.375 ( -0.000 -0.000 -0.000) 0.000 28.678 ( 0.000 -0.000 0.000) 0.000 30.972 ( 0.000 -0.000 0.000) 0.000 31.008 ( 0.000 0.000 0.000) 0.000 31.241 ( 0.000 -0.000 0.000) 0.000 31.361 ( 0.000 -0.000 0.000) 0.000 31.510 ( 0.000 -0.000 0.000) 0.000 31.519 ( 0.000 0.000 -0.000) 0.000 31.998 ( 0.000 -0.000 0.000) 0.000 32.722 ( 0.000 -0.000 0.000) 0.000 33.117 ( -0.000 -0.000 -0.000) 0.000 33.297 ( 0.000 -0.000 0.000) 0.000 33.460 ( 0.000 -0.000 0.000) 0.000 33.671 ( 0.000 -0.000 0.000) 0.000 35.385 ( 0.000 -0.000 -0.000) 0.000 35.512 ( 0.000 -0.000 0.000) 0.000 35.608 ( 0.000 -0.000 0.000) 0.000 36.143 ( 0.000 -0.000 0.000) 0.000 36.217 ( 0.000 -0.000 0.000) 0.000 36.263 ( 0.000 -0.000 -0.000) 0.000 37.514 ( 0.000 -0.000 0.000) 0.000 38.062 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 27.407 -0.000 15.322) 31.399 0.635 ( 27.085 -0.000 17.886) 32.458 1.164 ( 48.818 -0.000 31.587) 58.146 2.279 ( 4.482 -0.000 -7.032) 8.339 2.289 ( 13.988 -0.000 15.955) 21.219 2.767 ( 1.231 -0.000 -0.244) 1.255 2.911 ( -0.319 0.000 -0.471) 0.569 3.251 ( 0.944 -0.000 -5.642) 5.721 3.502 ( -17.057 0.000 3.410) 17.395 3.590 ( 6.337 -0.000 1.896) 6.615 3.645 ( 0.032 -0.000 2.345) 2.345 3.657 ( -10.189 0.000 -4.006) 10.948 3.861 ( -6.620 0.000 0.921) 6.683 3.983 ( -8.913 0.000 4.557) 10.010 4.320 ( 1.554 -0.000 -13.164) 13.256 4.371 ( 1.578 -0.000 0.851) 1.793 4.450 ( -7.449 0.000 8.505) 11.305 4.821 ( 3.806 -0.000 0.815) 3.893 4.863 ( 9.851 -0.000 -5.515) 11.290 5.010 ( 4.331 -0.000 3.411) 5.513 5.272 ( -10.522 0.000 -9.153) 13.946 5.323 ( -9.909 0.000 2.232) 10.158 5.456 ( 3.322 -0.000 0.186) 3.327 5.545 ( -3.817 0.000 -12.227) 12.809 5.944 ( 4.297 -0.000 -2.882) 5.174 5.968 ( 7.126 -0.000 4.607) 8.486 6.046 ( 5.036 -0.000 -0.783) 5.097 6.380 ( 2.258 -0.000 2.500) 3.369 6.604 ( -0.003 0.000 -1.309) 1.309 6.619 ( -4.773 0.000 -7.297) 8.720 7.776 ( 7.089 -0.000 11.442) 13.461 7.952 ( -12.410 0.000 -2.628) 12.685 8.315 ( -4.027 0.000 -1.208) 4.204 8.449 ( 2.463 -0.000 6.893) 7.319 8.963 ( 1.728 -0.000 -1.405) 2.227 9.023 ( 11.596 -0.000 -0.846) 11.627 9.182 ( 3.261 -0.000 4.040) 5.192 9.224 ( 2.662 -0.000 0.820) 2.785 9.450 ( 5.472 -0.000 2.586) 6.052 9.637 ( -3.679 0.000 -10.990) 11.590 9.731 ( -0.025 0.000 -5.517) 5.517 10.022 ( 0.379 -0.000 3.484) 3.504 10.182 ( -10.597 0.000 5.296) 11.846 10.333 ( -4.309 0.000 1.171) 4.465 10.487 ( 3.088 -0.000 5.557) 6.357 11.090 ( -5.010 0.000 -8.897) 10.211 11.094 ( -0.943 0.000 -5.084) 5.171 11.294 ( 2.913 -0.000 -0.415) 2.942 11.308 ( -1.671 0.000 2.201) 2.763 11.610 ( 0.668 -0.000 -1.963) 2.073 11.673 ( 0.832 -0.000 3.183) 3.290 11.876 ( 22.279 -0.000 -8.797) 23.952 12.078 ( -5.001 0.000 6.539) 8.232 12.531 ( -0.254 0.000 0.866) 0.903 12.547 ( -2.061 0.000 3.623) 4.169 12.561 ( 6.648 -0.000 5.436) 8.587 12.936 ( -1.281 0.000 -0.147) 1.290 13.123 ( 2.604 -0.000 -0.805) 2.726 13.280 ( -7.721 0.000 1.272) 7.825 13.457 ( 1.293 -0.000 -1.101) 1.698 13.655 ( -3.666 0.000 -4.152) 5.539 13.674 ( -2.945 0.000 -3.750) 4.768 14.574 ( -1.308 0.000 0.573) 1.428 14.590 ( -1.629 0.000 -0.508) 1.707 14.741 ( 0.316 -0.000 -1.533) 1.566 15.062 ( -0.375 0.000 -4.797) 4.812 15.133 ( 2.400 -0.000 1.588) 2.878 15.226 ( 3.373 -0.000 -0.546) 3.417 16.072 ( -15.433 0.000 -6.684) 16.818 16.348 ( 1.857 -0.000 2.375) 3.015 16.674 ( 3.457 -0.000 -0.160) 3.461 16.719 ( 0.503 -0.000 -4.176) 4.206 16.938 ( -1.190 0.000 -0.702) 1.382 17.128 ( -1.888 0.000 -2.800) 3.377 17.249 ( 6.086 -0.000 4.030) 7.299 17.254 ( -0.143 0.000 -0.720) 0.734 19.778 ( 2.538 -0.000 6.019) 6.533 20.147 ( -4.115 0.000 0.220) 4.121 20.877 ( 0.409 -0.000 1.050) 1.127 20.978 ( 0.036 -0.000 -0.015) 0.039 21.945 ( 5.633 -0.000 -8.710) 10.373 22.344 ( 1.251 -0.000 0.412) 1.317 23.201 ( 1.060 -0.000 -0.203) 1.079 23.537 ( -0.371 0.000 -0.577) 0.686 26.966 ( -0.028 0.000 0.047) 0.055 26.976 ( -0.046 0.000 -0.010) 0.047 29.379 ( 2.741 -0.000 4.003) 4.852 29.425 ( 1.283 -0.000 -0.183) 1.295 30.701 ( -6.563 0.000 -2.692) 7.094 30.873 ( -3.291 0.000 -2.063) 3.884 30.922 ( -2.552 0.000 -1.794) 3.119 31.468 ( -2.290 0.000 -1.915) 2.985 31.639 ( -7.701 0.000 -3.998) 8.677 31.968 ( 4.982 -0.000 3.451) 6.060 32.026 ( 2.648 -0.000 -2.738) 3.809 32.274 ( 9.040 -0.000 -1.995) 9.257 32.700 ( 2.332 -0.000 -0.100) 2.334 33.591 ( -2.562 0.000 -1.300) 2.873 34.132 ( -0.509 0.000 -1.604) 1.682 34.890 ( -35.227 0.000 48.625) 60.044 35.319 ( 0.282 -0.000 -0.174) 0.331 35.432 ( -12.598 0.000 16.425) 20.700 35.544 ( -0.677 0.000 1.106) 1.297 36.113 ( -1.829 0.000 -2.433) 3.044 36.177 ( 23.737 -0.000 -35.074) 42.351 36.239 ( 15.368 -0.000 -19.034) 24.463 36.485 ( -4.537 0.000 0.149) 4.539 38.550 ( 7.723 -0.000 4.231) 8.806 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 19.070 -12.843 15.172) 27.547 1.201 ( 16.394 -23.598 14.684) 32.268 1.823 ( 39.698 -14.398 22.650) 47.919 2.306 ( 5.589 -2.697 -5.916) 8.574 2.587 ( 7.969 -7.054 16.011) 19.226 2.702 ( -0.941 2.760 -0.001) 2.916 2.814 ( 1.526 5.481 2.029) 6.041 3.139 ( 2.534 7.052 -1.651) 7.673 3.437 ( -8.388 -4.527 -1.835) 9.707 3.569 ( -4.022 -0.505 -5.309) 6.680 3.659 ( 1.839 -0.030 -0.009) 1.839 3.707 ( 0.788 -2.074 2.645) 3.452 3.834 ( -7.528 -1.160 2.534) 8.027 3.945 ( -5.445 -1.349 -2.696) 6.224 4.184 ( -3.463 4.784 -9.502) 11.187 4.377 ( -0.088 -0.137 0.372) 0.406 4.454 ( -11.970 -2.582 1.128) 12.298 4.836 ( -2.449 2.478 -1.207) 3.687 4.942 ( -2.966 -1.798 -5.894) 6.839 5.075 ( 0.400 -1.071 2.313) 2.580 5.209 ( -3.408 -6.598 -3.124) 8.057 5.283 ( -5.753 -5.139 0.418) 7.725 5.435 ( 2.329 3.703 -2.952) 5.278 5.581 ( 9.065 -7.842 -0.548) 11.999 5.890 ( 1.503 6.115 -0.745) 6.341 5.981 ( 3.587 5.938 -3.874) 7.946 6.059 ( 4.353 2.274 5.333) 7.250 6.425 ( 1.171 -0.804 1.840) 2.324 6.507 ( -2.127 4.208 -5.605) 7.324 6.591 ( -1.475 0.114 -4.784) 5.008 7.809 ( -2.237 2.148 -0.514) 3.144 7.923 ( 1.406 -1.996 6.316) 6.771 8.251 ( 0.438 4.584 3.364) 5.703 8.482 ( -1.492 0.515 2.701) 3.129 8.928 ( 1.008 3.480 -2.225) 4.252 9.128 ( 8.168 -1.083 0.700) 8.269 9.205 ( 2.930 1.069 3.216) 4.479 9.296 ( 3.292 -1.872 3.968) 5.485 9.483 ( 4.690 2.015 -0.819) 5.170 9.574 ( -3.330 -3.865 -8.148) 9.613 9.742 ( 3.553 -3.209 -3.911) 6.182 9.954 ( -12.000 2.056 3.759) 12.742 10.187 ( 9.715 1.118 5.472) 11.206 10.275 ( -4.751 3.407 1.302) 5.989 10.515 ( 2.518 2.959 4.973) 6.311 10.953 ( -0.350 8.869 -1.151) 8.951 11.003 ( -3.329 1.459 -7.563) 8.391 11.284 ( 3.194 3.322 3.383) 5.717 11.315 ( -3.883 -1.886 -0.968) 4.424 11.625 ( 4.549 -2.503 -0.986) 5.285 11.696 ( 0.402 1.457 3.097) 3.446 11.887 ( 19.712 15.079 2.509) 24.945 12.015 ( -5.355 -4.182 1.058) 6.876 12.454 ( 1.857 4.782 1.011) 5.229 12.537 ( 1.347 2.518 2.140) 3.568 12.675 ( -1.132 -1.283 -0.895) 1.931 12.884 ( -1.718 4.000 -0.272) 4.362 13.051 ( -1.420 9.913 -5.965) 11.656 13.177 ( -0.885 -1.527 5.934) 6.191 13.513 ( -0.388 -1.412 -1.493) 2.091 13.583 ( 0.665 -0.603 -1.561) 1.801 13.681 ( -4.266 -5.126 -4.724) 8.173 14.542 ( 3.630 3.314 -0.309) 4.925 14.586 ( 5.882 6.014 4.784) 9.678 14.719 ( -0.854 -11.808 0.100) 11.840 15.084 ( -4.816 -5.465 -3.866) 8.247 15.317 ( -2.709 -6.548 -3.372) 7.847 15.420 ( -4.204 -17.628 -4.072) 18.574 15.911 ( -8.438 0.236 0.856) 8.484 16.275 ( 5.093 10.528 -0.864) 11.727 16.635 ( -1.825 5.598 -2.361) 6.344 16.825 ( -10.214 -8.568 -8.840) 15.996 16.971 ( -1.570 -4.424 -0.175) 4.698 17.148 ( -3.176 -4.910 -2.827) 6.496 17.336 ( -1.460 -8.079 -0.938) 8.263 17.345 ( 5.636 -2.352 4.213) 7.419 19.861 ( 2.651 -2.089 7.179) 7.933 20.153 ( -5.263 -4.651 0.164) 7.025 20.782 ( 0.237 9.120 1.433) 9.235 20.981 ( 0.056 2.253 0.376) 2.284 21.999 ( 4.033 -6.699 -5.271) 9.430 22.433 ( 1.261 -7.850 0.404) 7.961 23.102 ( 0.612 8.699 -0.235) 8.724 23.512 ( -0.924 3.262 -1.126) 3.573 27.056 ( 0.221 -10.121 0.247) 10.126 27.347 ( -13.808 -32.762 -10.385) 37.039 29.289 ( 1.752 13.856 1.277) 14.025 29.354 ( 3.706 9.770 2.813) 10.822 30.726 ( -7.147 -9.879 -2.970) 12.549 30.830 ( -3.359 -0.359 -2.873) 4.435 30.918 ( -3.475 -3.548 -2.463) 5.543 31.385 ( 1.465 3.305 2.076) 4.169 31.610 ( -8.649 -3.157 -4.440) 10.222 31.895 ( 5.307 7.461 -1.294) 9.247 31.995 ( 2.401 7.465 3.676) 8.661 32.431 ( 7.600 -8.781 -1.273) 11.683 32.821 ( 2.712 -9.796 0.415) 10.173 33.537 ( -3.457 2.386 -1.661) 4.516 34.010 ( 4.512 32.682 21.412) 39.331 34.140 ( 11.481 27.361 11.572) 31.848 35.333 ( -0.354 -0.968 0.975) 1.418 35.430 ( -0.615 -1.304 -0.010) 1.441 35.548 ( -1.635 -0.936 1.886) 2.665 36.116 ( -6.283 -0.236 6.862) 9.307 36.243 ( 6.101 0.489 -6.433) 8.880 36.389 ( -3.588 -0.486 -6.800) 7.703 36.687 ( -8.749 -28.961 -16.262) 34.348 38.582 ( 9.276 7.166 4.981) 12.736 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 9.623 -18.164 12.953) 24.296 1.721 ( 2.703 -18.059 9.144) 20.422 2.313 ( 18.840 0.339 8.447) 20.650 2.412 ( 9.153 -9.237 -1.696) 13.114 2.569 ( -7.272 2.298 11.429) 13.740 2.869 ( 1.936 -1.076 5.412) 5.848 3.003 ( 8.315 -15.078 0.994) 17.247 3.127 ( 6.744 -6.869 0.943) 9.672 3.454 ( 0.135 -1.713 -1.090) 2.035 3.499 ( -4.145 2.369 -4.666) 6.676 3.671 ( 1.320 -0.012 -3.071) 3.342 3.705 ( 3.281 0.130 -3.577) 4.855 3.813 ( 1.218 1.226 2.650) 3.164 3.921 ( 2.516 2.038 -3.975) 5.126 4.035 ( -8.535 2.110 -2.901) 9.258 4.307 ( -12.462 2.293 -2.326) 12.883 4.432 ( -2.391 -1.560 0.758) 2.954 4.761 ( -3.748 -0.648 -1.099) 3.959 4.857 ( -4.272 2.064 -2.544) 5.383 5.092 ( -2.514 -2.780 -1.638) 4.090 5.245 ( -1.974 -1.510 -2.186) 3.310 5.360 ( -4.129 -0.579 -0.738) 4.234 5.456 ( 4.047 -2.326 2.355) 5.228 5.781 ( 2.675 0.859 -3.474) 4.468 5.798 ( 1.138 2.151 2.120) 3.227 5.852 ( 3.544 3.404 0.821) 4.982 6.080 ( 6.905 2.481 7.839) 10.737 6.340 ( -3.533 5.592 -7.187) 9.767 6.408 ( -4.608 2.943 -2.333) 5.944 6.580 ( 3.238 -1.207 -3.117) 4.653 7.796 ( 0.678 -1.195 0.796) 1.588 7.976 ( -0.691 -0.502 0.906) 1.245 8.233 ( 4.741 3.673 9.526) 11.257 8.419 ( -6.400 2.727 -3.923) 7.987 8.876 ( 0.480 0.167 -0.466) 0.690 9.150 ( -2.730 1.171 -0.178) 2.976 9.190 ( 2.473 1.643 1.034) 3.144 9.399 ( -1.166 -3.146 -0.132) 3.358 9.486 ( 2.586 2.717 -1.246) 3.953 9.567 ( 5.207 -2.620 -2.253) 6.249 9.810 ( -2.196 1.107 4.625) 5.239 9.965 ( 5.929 -7.209 -0.245) 9.337 10.123 ( 0.661 11.924 3.027) 12.320 10.265 ( 2.355 -1.147 -1.236) 2.897 10.478 ( -1.084 3.506 0.629) 3.724 10.807 ( 3.668 8.328 2.980) 9.575 10.944 ( -1.809 0.277 -3.034) 3.543 11.297 ( 4.480 1.466 7.399) 8.773 11.313 ( -4.036 -1.609 0.283) 4.354 11.651 ( 0.317 5.405 3.026) 6.203 11.732 ( 2.824 -5.695 -6.937) 9.409 11.800 ( 14.327 7.624 4.099) 16.739 12.127 ( -2.457 -9.282 0.001) 9.602 12.382 ( -1.869 3.305 0.374) 3.815 12.470 ( -0.246 6.918 0.581) 6.947 12.574 ( -6.184 5.051 -5.125) 9.488 12.786 ( -2.763 4.723 -5.168) 7.526 12.867 ( 0.368 6.201 1.625) 6.421 13.234 ( 0.889 -0.582 4.180) 4.312 13.510 ( -1.958 -0.306 -2.298) 3.034 13.675 ( 7.702 -5.542 2.130) 9.725 13.720 ( -5.762 -6.716 -6.832) 11.179 14.530 ( 7.978 8.173 6.637) 13.210 14.581 ( -4.226 -3.506 -0.260) 5.497 14.898 ( -0.929 -9.096 -2.428) 9.460 15.167 ( -2.671 -6.679 -2.325) 7.559 15.356 ( -3.272 -6.202 -4.138) 8.142 15.593 ( -6.754 -10.277 -7.356) 14.330 15.950 ( 1.291 1.028 6.124) 6.342 16.178 ( 6.802 0.310 4.624) 8.231 16.481 ( -1.002 7.017 -3.367) 7.847 16.791 ( -11.468 -3.139 -9.537) 15.242 17.034 ( -0.135 -3.499 2.085) 4.076 17.204 ( -2.913 -5.768 -4.254) 7.736 17.414 ( -1.883 -1.537 3.651) 4.386 17.451 ( 3.601 -2.961 0.279) 4.671 19.962 ( 1.514 -3.195 6.091) 7.043 20.230 ( -5.158 -8.228 -0.114) 9.711 20.607 ( 0.583 11.261 0.869) 11.310 20.892 ( 0.452 7.402 0.301) 7.422 22.173 ( 3.213 -11.661 -3.264) 12.528 22.615 ( 0.313 -10.807 0.380) 10.818 22.942 ( 0.077 8.825 -0.806) 8.862 23.403 ( -0.163 7.482 -0.464) 7.499 27.323 ( 1.056 -18.322 1.354) 18.403 27.695 ( -14.232 -25.762 -10.596) 31.281 28.966 ( -2.082 20.794 -1.422) 20.946 29.195 ( 8.555 15.580 6.553) 18.944 30.818 ( -3.205 -3.308 -2.459) 5.221 30.863 ( -4.698 -10.380 -2.568) 11.679 30.976 ( -3.171 -7.969 -3.128) 9.129 31.407 ( 1.126 -1.668 3.065) 3.666 31.547 ( -4.801 1.815 -1.683) 5.402 31.780 ( 1.115 8.241 -0.603) 8.338 31.911 ( 1.632 3.148 -1.873) 4.010 32.641 ( 7.098 -8.056 0.510) 10.749 33.048 ( 2.492 -12.025 0.981) 12.320 33.434 ( -3.637 5.296 -1.617) 6.626 33.607 ( 12.710 28.477 23.604) 39.111 33.966 ( 1.818 9.214 -3.864) 10.155 35.357 ( -0.446 -1.297 0.908) 1.645 35.459 ( 0.240 -2.244 -1.128) 2.523 35.569 ( -1.567 -1.607 1.578) 2.744 36.118 ( -4.048 -0.636 5.698) 7.019 36.241 ( 4.906 0.840 -5.296) 7.268 36.315 ( -3.213 1.799 -3.106) 4.817 36.981 ( -9.977 -21.813 -9.218) 25.696 38.491 ( 8.687 13.591 4.608) 16.775 ======================= Grid point 13 (9/114) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -1.762 -16.028 6.197) 17.275 2.043 ( 0.877 -13.700 2.822) 14.015 2.393 ( 1.505 3.746 0.135) 4.039 2.516 ( 2.482 2.819 -2.885) 4.736 2.609 ( 0.120 -2.109 4.633) 5.092 2.814 ( -4.319 -0.549 8.004) 9.111 3.227 ( 0.992 -4.151 -5.876) 7.262 3.310 ( 1.370 -3.375 -4.222) 5.576 3.358 ( 4.360 6.129 1.105) 7.602 3.541 ( -2.017 0.102 4.521) 4.951 3.691 ( 5.507 -4.891 -1.329) 7.485 3.783 ( 2.003 1.153 -1.171) 2.591 3.828 ( 6.929 5.379 0.324) 8.778 3.846 ( 3.857 -2.881 -4.781) 6.785 3.968 ( -3.738 -1.638 2.219) 4.645 4.227 ( -5.301 -3.971 0.741) 6.665 4.440 ( 1.954 0.570 -2.652) 3.343 4.792 ( -2.701 -2.036 0.060) 3.383 4.826 ( -0.399 -3.337 4.092) 5.295 5.129 ( 0.501 -3.352 -4.196) 5.394 5.218 ( -10.469 9.028 1.253) 13.881 5.251 ( -0.580 -2.527 -2.782) 3.802 5.484 ( 1.935 0.210 3.018) 3.591 5.627 ( -0.833 7.152 -1.302) 7.317 5.828 ( -4.295 2.160 -0.133) 4.810 5.888 ( 5.913 -2.445 2.586) 6.902 6.110 ( 1.224 6.236 2.997) 7.027 6.198 ( -1.399 2.152 -6.496) 6.985 6.393 ( 3.767 -5.750 1.708) 7.083 6.611 ( 2.688 -0.167 -0.816) 2.814 7.824 ( -0.822 -0.355 0.595) 1.075 7.928 ( -5.519 1.178 -7.061) 9.039 8.226 ( -3.390 3.830 1.096) 5.231 8.381 ( 5.549 -2.388 7.598) 9.707 8.926 ( 1.424 -3.987 -0.182) 4.238 9.077 ( -6.018 2.330 -1.116) 6.549 9.191 ( 3.276 2.350 1.135) 4.189 9.409 ( -0.798 1.619 0.103) 1.808 9.452 ( -2.087 -4.752 -3.438) 6.226 9.623 ( -1.204 2.064 0.884) 2.548 9.817 ( 7.987 2.103 4.608) 9.458 9.915 ( 3.795 11.040 0.467) 11.683 10.168 ( 1.344 -7.788 -2.653) 8.337 10.266 ( -0.978 -1.356 -2.739) 3.209 10.385 ( -0.762 5.234 0.928) 5.370 10.739 ( 4.057 6.341 4.505) 8.773 10.908 ( -0.643 1.364 -1.319) 2.003 11.315 ( -1.687 -0.292 3.586) 3.974 11.358 ( 3.121 0.411 3.940) 5.043 11.566 ( 0.380 5.683 2.089) 6.066 11.713 ( 2.771 2.378 -4.423) 5.736 11.912 ( 7.393 -3.399 0.121) 8.137 12.245 ( -4.632 -3.629 -3.691) 6.946 12.319 ( -4.749 2.322 -0.212) 5.291 12.359 ( -0.131 -0.877 0.918) 1.276 12.473 ( -3.071 -2.772 0.808) 4.215 12.640 ( 0.052 5.075 -4.075) 6.509 12.815 ( 3.260 5.917 2.434) 7.181 13.241 ( 0.231 1.970 2.700) 3.350 13.504 ( -0.791 -2.154 -2.248) 3.213 13.748 ( -7.528 -6.813 -6.867) 12.257 13.840 ( 5.161 -3.214 0.895) 6.145 14.425 ( 2.342 11.299 4.889) 12.532 14.609 ( -5.270 -5.379 -1.668) 7.713 15.027 ( 1.510 -6.270 -1.217) 6.564 15.246 ( -0.942 -6.743 -0.800) 6.855 15.440 ( 0.084 -2.472 -2.563) 3.562 15.593 ( -1.554 1.516 -1.976) 2.936 15.975 ( 0.911 -3.163 3.336) 4.687 16.279 ( 1.184 3.783 3.082) 5.021 16.427 ( 1.115 -2.805 -1.897) 3.565 16.707 ( -5.654 -4.185 -4.808) 8.520 17.117 ( -0.046 -4.163 2.111) 4.668 17.249 ( -1.026 -3.570 -4.545) 5.870 17.414 ( -2.754 1.323 3.439) 4.600 17.505 ( 3.048 -0.228 -0.003) 3.057 20.072 ( 0.046 -5.591 3.724) 6.717 20.357 ( -2.317 -9.031 -1.685) 9.475 20.407 ( -0.672 10.907 1.378) 11.014 20.753 ( 1.446 8.540 -0.047) 8.662 22.405 ( 2.831 -12.636 -1.170) 13.002 22.740 ( -2.090 5.187 1.751) 5.860 22.853 ( 1.114 -7.463 -2.092) 7.831 23.245 ( 0.194 9.990 -0.007) 9.992 27.718 ( 1.895 -22.829 2.165) 23.009 27.959 ( -10.758 -21.217 -7.908) 25.068 28.534 ( -3.086 23.447 -2.171) 23.749 29.030 ( 11.782 15.853 8.654) 21.564 30.865 ( -2.464 -5.647 -2.446) 6.629 30.964 ( -3.413 -5.870 -1.196) 6.895 31.115 ( -0.624 -9.864 -2.303) 10.149 31.424 ( -0.982 2.913 1.011) 3.236 31.506 ( 0.549 -0.553 1.822) 1.981 31.632 ( 1.120 8.643 0.526) 8.731 31.861 ( -6.665 -2.024 -7.852) 10.497 32.811 ( 7.358 -2.750 2.421) 8.220 33.217 ( 1.686 3.193 -1.667) 3.977 33.319 ( 0.411 0.240 6.268) 6.286 33.442 ( 3.192 6.931 9.249) 11.990 33.772 ( 0.168 10.025 -4.848) 11.137 35.377 ( -0.426 -0.810 0.330) 0.973 35.493 ( 0.128 -1.789 -0.620) 1.898 35.593 ( -0.926 -1.332 0.616) 1.736 36.136 ( -1.978 -0.731 3.236) 3.862 36.229 ( 2.900 1.021 -3.505) 4.663 36.263 ( -0.891 0.445 -0.201) 1.016 37.236 ( -7.734 -19.115 -5.288) 21.288 38.302 ( 6.492 15.905 3.447) 17.522 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -12.520 11.706 -12.511) 21.220 2.053 ( -6.570 14.408 -2.682) 16.061 2.387 ( 4.345 3.533 2.754) 6.241 2.507 ( 0.263 -2.924 -1.783) 3.435 2.640 ( -1.046 -12.597 -0.428) 12.647 2.970 ( 0.570 0.935 4.819) 4.942 3.088 ( 0.989 7.729 1.733) 7.983 3.272 ( -5.788 0.995 -5.195) 7.841 3.430 ( -0.644 0.792 1.342) 1.686 3.505 ( 7.088 -0.489 -2.141) 7.420 3.625 ( 3.310 8.046 -4.118) 9.626 3.716 ( -3.252 2.461 1.832) 4.471 3.869 ( 3.105 3.437 7.276) 8.625 3.925 ( -1.548 0.022 5.337) 5.557 4.028 ( 3.945 -4.935 -2.835) 6.925 4.340 ( -1.631 -4.702 -3.671) 6.185 4.392 ( 2.736 -1.667 0.602) 3.260 4.820 ( 3.062 -0.826 3.387) 4.640 4.930 ( -0.094 0.036 -0.697) 0.704 4.994 ( -7.762 -0.749 5.564) 9.580 5.207 ( -1.588 -3.571 -2.150) 4.460 5.347 ( 3.220 -10.396 -3.468) 11.422 5.526 ( 3.044 -0.586 5.153) 6.013 5.540 ( -4.429 1.890 -0.221) 4.821 5.750 ( -3.799 0.165 -4.441) 5.847 5.903 ( 5.514 5.764 -2.089) 8.246 5.998 ( -2.440 4.787 1.040) 5.473 6.218 ( 0.890 -5.580 0.012) 5.650 6.554 ( 7.673 -0.083 1.593) 7.837 6.628 ( 1.803 -2.065 4.355) 5.146 7.781 ( -2.137 1.750 -5.723) 6.355 7.845 ( -4.754 -1.374 -2.802) 5.687 8.138 ( -6.310 0.450 -3.468) 7.214 8.541 ( 7.758 -0.133 10.013) 12.668 8.967 ( 0.254 2.879 -1.522) 3.266 9.035 ( -0.840 -5.467 -1.095) 5.638 9.152 ( 1.000 4.400 1.960) 4.920 9.380 ( -1.220 0.007 -1.657) 2.058 9.493 ( -4.892 3.810 0.031) 6.201 9.574 ( -1.308 -5.620 -2.150) 6.158 9.818 ( 6.231 4.876 3.921) 8.830 9.864 ( 8.631 1.585 -0.221) 8.778 10.169 ( -7.889 -0.355 -2.101) 8.172 10.260 ( -0.222 1.548 -3.211) 3.572 10.390 ( 0.935 -3.094 1.268) 3.472 10.663 ( 0.278 5.729 2.767) 6.368 10.884 ( -1.269 -0.798 -0.903) 1.750 11.308 ( 0.610 3.136 0.185) 3.200 11.367 ( 2.311 1.489 2.642) 3.813 11.491 ( -1.452 2.714 0.876) 3.200 11.669 ( 1.232 2.318 -2.359) 3.530 11.948 ( -1.017 3.437 0.573) 3.629 12.227 ( -2.990 -4.461 -2.410) 5.886 12.249 ( -2.689 -0.547 -2.183) 3.507 12.496 ( 0.348 -7.678 5.000) 9.169 12.588 ( 4.460 -1.872 -2.465) 5.428 12.635 ( 0.728 -9.000 2.648) 9.410 12.685 ( 3.892 11.336 1.646) 12.098 13.217 ( -0.148 2.065 0.853) 2.239 13.541 ( 0.995 -2.593 -1.085) 2.981 13.780 ( -4.406 -2.742 -1.324) 5.356 13.819 ( -6.817 0.486 -5.089) 8.520 14.269 ( 0.891 8.852 1.273) 8.987 14.670 ( -1.273 -3.315 -1.922) 4.038 15.107 ( 1.876 -0.386 0.521) 1.985 15.367 ( 2.131 -2.100 -1.505) 3.349 15.437 ( -2.772 -7.197 3.140) 8.327 15.574 ( 4.574 2.915 1.997) 5.780 16.059 ( -1.682 -1.497 -0.042) 2.252 16.198 ( 1.181 5.804 0.713) 5.965 16.332 ( -6.725 2.915 -6.460) 9.770 16.896 ( 6.224 -11.321 4.970) 13.842 17.192 ( -0.542 -2.586 2.227) 3.456 17.259 ( 1.602 0.053 -3.139) 3.524 17.376 ( -4.581 0.693 0.429) 4.653 17.511 ( 2.764 1.811 -0.266) 3.315 20.192 ( 0.866 7.855 -0.939) 7.958 20.215 ( -0.803 -5.145 1.113) 5.325 20.523 ( -1.662 -9.705 0.667) 9.869 20.619 ( 1.858 7.326 -0.597) 7.581 22.555 ( -0.542 9.688 0.369) 9.711 22.658 ( 1.649 -10.562 1.100) 10.746 23.031 ( -0.006 -1.326 0.537) 1.431 23.061 ( -0.207 1.626 -1.064) 1.954 28.041 ( 0.312 16.756 -1.040) 16.791 28.192 ( -1.684 -16.050 0.961) 16.167 28.226 ( -5.693 -19.938 -4.128) 21.142 28.924 ( 13.859 12.566 9.388) 20.932 30.925 ( -2.332 -3.322 -3.297) 5.229 31.020 ( -0.255 -2.653 1.282) 2.958 31.242 ( 0.493 -2.357 -0.144) 2.413 31.360 ( 0.887 2.254 -0.068) 2.424 31.512 ( -0.378 4.631 -0.509) 4.674 31.538 ( 0.545 -0.755 1.767) 1.997 31.794 ( -12.380 -4.938 -9.491) 16.363 32.819 ( 5.454 10.087 3.566) 12.009 33.091 ( -1.065 6.174 -1.713) 6.496 33.335 ( 0.496 0.343 4.223) 4.266 33.462 ( 1.116 6.689 -1.190) 6.885 33.661 ( -0.690 -6.153 -0.617) 6.223 35.380 ( -0.355 0.203 -0.231) 0.470 35.511 ( -0.103 -0.244 0.083) 0.278 35.605 ( -0.140 -0.256 -0.265) 0.394 36.137 ( 0.424 0.322 -1.184) 1.298 36.217 ( -0.686 0.489 0.856) 1.201 36.292 ( 1.934 -2.463 1.259) 3.376 37.466 ( -3.336 -12.270 -1.762) 12.837 38.102 ( 2.711 10.237 1.521) 10.699 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -10.033 21.379 -11.784) 26.393 1.610 ( -9.453 23.282 -4.894) 25.600 2.265 ( -0.680 4.911 -2.118) 5.391 2.588 ( 12.055 14.303 2.798) 18.914 2.752 ( 1.062 3.017 -3.989) 5.113 2.802 ( 7.972 8.333 5.962) 12.982 2.923 ( -15.724 13.387 -3.038) 20.874 3.121 ( -9.241 11.794 -7.261) 16.650 3.287 ( -2.232 -2.284 0.555) 3.241 3.568 ( 1.875 1.533 -0.693) 2.519 3.653 ( 1.390 -9.556 2.480) 9.970 3.732 ( -2.131 5.620 2.392) 6.469 3.778 ( 1.712 -5.201 2.073) 5.855 3.987 ( 3.665 -1.132 4.948) 6.261 4.115 ( -0.653 -3.688 -2.649) 4.587 4.393 ( 4.664 -6.751 0.931) 8.258 4.564 ( 1.714 -7.884 1.414) 8.191 4.814 ( 0.197 5.786 -1.638) 6.016 4.956 ( 2.542 -3.792 2.057) 5.008 5.099 ( 2.342 -9.678 5.577) 11.413 5.281 ( -2.322 -6.142 0.753) 6.609 5.417 ( -6.713 4.795 -5.381) 9.849 5.522 ( -0.138 -5.637 -1.496) 5.833 5.627 ( 2.078 -5.231 3.588) 6.675 5.740 ( -2.062 -2.862 -3.083) 4.685 5.774 ( 2.322 10.156 -1.822) 10.576 5.921 ( 1.419 3.776 1.148) 4.194 6.351 ( 1.279 -6.770 1.819) 7.125 6.515 ( 0.442 4.588 -0.662) 4.656 6.742 ( 4.099 -1.322 5.208) 6.758 7.694 ( -4.679 1.194 -6.298) 7.937 7.889 ( 4.994 -3.218 3.587) 6.940 8.078 ( -6.621 -2.130 -5.198) 8.683 8.558 ( 2.774 4.826 2.315) 6.029 8.903 ( -3.244 3.953 0.071) 5.114 9.076 ( -1.312 1.696 0.442) 2.190 9.165 ( 5.826 -3.142 1.684) 6.830 9.337 ( -4.427 1.125 -4.993) 6.767 9.399 ( -2.082 1.515 0.557) 2.634 9.625 ( 0.784 -0.502 1.010) 1.373 9.822 ( 1.938 1.353 0.581) 2.434 9.988 ( 7.569 -7.470 0.569) 10.650 10.094 ( -0.145 3.994 2.804) 4.882 10.196 ( -3.969 3.384 -3.200) 6.119 10.385 ( -5.314 0.696 -1.449) 5.552 10.662 ( 0.917 -5.417 0.270) 5.500 10.924 ( -0.959 -5.275 -0.388) 5.375 11.242 ( 1.610 3.868 -0.043) 4.190 11.395 ( 1.805 -1.515 1.222) 2.655 11.448 ( -2.394 1.301 0.572) 2.784 11.622 ( -0.155 1.954 -1.376) 2.395 11.844 ( -2.603 5.050 1.346) 5.839 12.255 ( -1.608 -2.429 -2.298) 3.711 12.316 ( -0.055 -5.435 1.464) 5.629 12.438 ( 1.118 13.811 -1.878) 13.983 12.635 ( -1.549 -8.243 -0.803) 8.426 12.715 ( 5.133 -3.400 3.214) 6.945 12.869 ( 2.251 -10.228 3.169) 10.942 13.174 ( 0.097 1.844 -0.904) 2.056 13.559 ( -1.040 2.016 -0.089) 2.270 13.659 ( 0.573 5.587 -0.233) 5.621 13.878 ( -5.808 -9.639 -1.702) 11.382 14.127 ( -1.797 6.756 -2.057) 7.287 14.648 ( -0.899 2.843 -1.468) 3.324 15.028 ( -0.960 8.007 -0.531) 8.082 15.477 ( 6.690 -1.138 5.457) 8.708 15.518 ( 3.004 0.648 0.332) 3.091 15.665 ( -1.308 -10.810 2.162) 11.101 15.901 ( -5.386 9.527 -4.884) 11.984 16.070 ( 0.031 8.034 -1.119) 8.112 16.363 ( -0.831 -9.011 -0.141) 9.050 17.147 ( 7.652 -4.896 3.289) 9.661 17.185 ( 1.928 4.687 5.748) 7.663 17.278 ( -1.674 -3.568 -2.383) 4.605 17.327 ( -5.007 -0.065 -2.109) 5.434 17.493 ( 2.813 1.353 -0.910) 3.252 20.003 ( 0.114 9.484 -1.367) 9.582 20.384 ( -0.870 -10.498 0.755) 10.561 20.478 ( 2.241 8.276 -0.404) 8.584 20.713 ( -0.551 -10.397 -0.157) 10.413 22.338 ( -1.762 12.425 0.580) 12.563 22.820 ( 0.195 12.603 -0.559) 12.617 22.881 ( 1.696 -9.969 2.026) 10.313 23.250 ( 0.292 -11.243 0.096) 11.247 27.637 ( -0.494 21.483 -0.710) 21.501 28.492 ( -0.949 -17.185 1.376) 17.266 28.620 ( 0.976 -21.738 1.701) 21.827 28.903 ( 11.954 6.000 5.747) 14.558 30.871 ( -3.510 4.573 -4.124) 7.088 31.067 ( 2.055 0.724 2.448) 3.277 31.169 ( 0.637 7.393 -0.075) 7.421 31.285 ( -5.427 6.232 -3.277) 8.890 31.535 ( 1.900 -5.891 0.844) 6.247 31.586 ( -0.206 -5.491 0.183) 5.498 31.766 ( -8.678 -5.575 -5.441) 11.662 32.639 ( 0.973 12.394 1.529) 12.526 32.935 ( -2.588 8.118 -3.979) 9.404 33.237 ( -0.247 12.814 -0.064) 12.817 33.430 ( 1.029 -5.267 -0.033) 5.367 33.836 ( -0.095 -10.149 1.043) 10.203 35.364 ( -0.177 1.006 -0.352) 1.081 35.501 ( -0.140 1.368 0.303) 1.408 35.597 ( 0.273 0.909 -0.462) 1.055 36.132 ( 1.847 0.014 -2.170) 2.850 36.210 ( -1.985 0.031 2.082) 2.877 36.373 ( 1.731 -3.752 1.143) 4.287 37.530 ( 2.255 5.380 1.905) 6.137 38.075 ( -1.869 -7.279 -0.943) 7.574 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -0.000 24.194 0.000) 24.194 1.074 ( -0.000 29.133 0.000) 29.133 1.985 ( -0.000 49.015 0.000) 49.015 2.212 ( -0.000 2.896 0.000) 2.896 2.619 ( -0.000 2.274 0.000) 2.274 2.710 ( -0.000 2.408 0.000) 2.408 2.731 ( -0.000 19.571 0.000) 19.571 2.950 ( 0.000 -11.025 -0.000) 11.025 3.447 ( 0.000 -9.765 -0.000) 9.765 3.535 ( -0.000 0.356 0.000) 0.356 3.635 ( -0.000 3.633 0.000) 3.633 3.851 ( 0.000 -6.257 -0.000) 6.257 3.894 ( 0.000 -4.211 -0.000) 4.211 4.027 ( 0.000 -0.274 -0.000) 0.274 4.191 ( 0.000 -7.329 -0.000) 7.329 4.566 ( 0.000 -7.239 -0.000) 7.239 4.609 ( -0.000 7.886 0.000) 7.886 4.750 ( 0.000 -4.478 -0.000) 4.478 5.056 ( 0.000 -4.601 -0.000) 4.601 5.153 ( -0.000 13.670 0.000) 13.670 5.367 ( 0.000 -3.335 -0.000) 3.335 5.433 ( 0.000 -16.517 -0.000) 16.517 5.503 ( -0.000 16.529 0.000) 16.529 5.530 ( -0.000 4.732 0.000) 4.732 5.738 ( 0.000 -6.108 -0.000) 6.108 5.821 ( 0.000 -4.854 -0.000) 4.854 5.912 ( 0.000 -1.430 -0.000) 1.430 6.430 ( -0.000 4.333 0.000) 4.333 6.478 ( 0.000 -6.066 -0.000) 6.066 6.771 ( -0.000 1.309 0.000) 1.309 7.629 ( -0.000 0.980 0.000) 0.980 8.041 ( 0.000 -6.865 -0.000) 6.865 8.050 ( 0.000 -1.465 -0.000) 1.465 8.504 ( -0.000 3.146 0.000) 3.146 8.798 ( -0.000 3.545 0.000) 3.545 9.039 ( -0.000 1.812 0.000) 1.812 9.215 ( -0.000 2.478 0.000) 2.478 9.281 ( -0.000 1.513 0.000) 1.513 9.378 ( 0.000 -0.386 -0.000) 0.386 9.656 ( 0.000 -2.583 -0.000) 2.583 9.813 ( -0.000 0.960 0.000) 0.960 9.960 ( -0.000 8.177 0.000) 8.177 10.064 ( -0.000 5.108 0.000) 5.108 10.235 ( 0.000 -10.404 -0.000) 10.404 10.361 ( 0.000 -0.821 -0.000) 0.821 10.819 ( 0.000 -10.326 -0.000) 10.326 11.051 ( 0.000 -8.623 -0.000) 8.623 11.208 ( -0.000 0.792 0.000) 0.792 11.414 ( -0.000 0.768 0.000) 0.768 11.450 ( 0.000 -2.134 -0.000) 2.134 11.599 ( 0.000 -0.428 -0.000) 0.428 11.758 ( -0.000 4.536 0.000) 4.536 12.197 ( -0.000 10.398 0.000) 10.398 12.277 ( 0.000 -1.677 -0.000) 1.677 12.430 ( 0.000 -5.348 -0.000) 5.348 12.734 ( -0.000 3.864 0.000) 3.864 12.778 ( 0.000 -8.217 -0.000) 8.217 13.036 ( 0.000 -5.901 -0.000) 5.901 13.166 ( -0.000 0.230 0.000) 0.230 13.515 ( 0.000 -0.699 -0.000) 0.699 13.598 ( -0.000 3.165 0.000) 3.165 13.969 ( -0.000 7.991 0.000) 7.991 14.037 ( 0.000 -9.701 -0.000) 9.701 14.585 ( -0.000 2.468 0.000) 2.468 14.867 ( -0.000 8.738 0.000) 8.738 15.407 ( -0.000 8.883 0.000) 8.883 15.448 ( -0.000 12.395 0.000) 12.395 15.726 ( -0.000 8.164 0.000) 8.164 15.881 ( 0.000 -12.630 -0.000) 12.630 16.039 ( 0.000 -6.747 -0.000) 6.747 16.536 ( 0.000 -9.701 -0.000) 9.701 17.081 ( -0.000 6.537 0.000) 6.537 17.235 ( -0.000 0.947 0.000) 0.947 17.277 ( -0.000 1.361 0.000) 1.361 17.298 ( -0.000 2.611 0.000) 2.611 17.548 ( 0.000 -5.954 -0.000) 5.954 19.854 ( -0.000 6.458 0.000) 6.458 20.342 ( -0.000 7.660 0.000) 7.660 20.576 ( 0.000 -10.908 -0.000) 10.908 20.879 ( 0.000 -8.010 -0.000) 8.010 22.115 ( -0.000 11.218 0.000) 11.218 22.593 ( -0.000 11.932 0.000) 11.932 23.056 ( 0.000 -7.507 -0.000) 7.507 23.441 ( 0.000 -9.460 -0.000) 9.460 27.289 ( -0.000 16.707 0.000) 16.707 28.836 ( 0.000 -18.854 -0.000) 18.854 28.886 ( -0.000 3.709 0.000) 3.709 29.010 ( 0.000 -19.638 -0.000) 19.638 30.673 ( -0.000 11.642 0.000) 11.642 31.014 ( -0.000 7.543 0.000) 7.543 31.043 ( -0.000 6.002 0.000) 6.002 31.119 ( -0.000 6.637 0.000) 6.637 31.670 ( 0.000 -8.101 -0.000) 8.101 31.748 ( 0.000 -10.927 -0.000) 10.927 31.778 ( 0.000 -0.889 -0.000) 0.889 32.461 ( -0.000 7.010 0.000) 7.010 32.738 ( -0.000 10.045 0.000) 10.045 33.001 ( -0.000 13.010 0.000) 13.010 33.531 ( 0.000 -4.868 -0.000) 4.868 34.000 ( 0.000 -7.706 -0.000) 7.706 35.342 ( -0.000 1.178 0.000) 1.178 35.469 ( -0.000 1.983 0.000) 1.983 35.575 ( -0.000 1.417 0.000) 1.417 36.137 ( 0.000 -0.305 -0.000) 0.305 36.210 ( 0.000 -0.342 -0.000) 0.342 36.451 ( 0.000 -3.512 -0.000) 3.512 37.397 ( -0.000 9.627 0.000) 9.627 38.250 ( 0.000 -11.306 -0.000) 11.306 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 27.785 -0.000 14.994) 31.572 1.211 ( 22.064 -0.000 15.380) 26.896 2.155 ( 35.905 -0.000 24.983) 43.741 2.255 ( 6.177 -0.000 -11.316) 12.893 2.698 ( 11.125 -0.000 15.635) 19.189 2.762 ( -1.910 0.000 -0.853) 2.092 2.915 ( 0.698 -0.000 1.125) 1.324 3.170 ( -3.108 0.000 -7.596) 8.207 3.266 ( -18.707 0.000 7.039) 19.988 3.442 ( -6.635 0.000 -4.678) 8.118 3.663 ( -3.020 0.000 2.242) 3.761 3.723 ( 2.512 -0.000 3.358) 4.194 3.801 ( -0.317 0.000 0.749) 0.814 3.882 ( -0.280 0.000 -6.409) 6.415 4.152 ( -5.482 0.000 -8.728) 10.307 4.341 ( -13.722 0.000 2.316) 13.916 4.351 ( -4.152 0.000 -4.500) 6.122 4.818 ( -3.090 0.000 0.959) 3.236 4.973 ( 4.803 -0.000 -1.836) 5.142 5.026 ( -4.756 0.000 -7.304) 8.716 5.099 ( -10.078 0.000 -1.183) 10.147 5.214 ( 9.974 -0.000 8.279) 12.962 5.542 ( 8.825 -0.000 -1.021) 8.884 5.545 ( 7.940 -0.000 -0.257) 7.944 5.923 ( -3.468 0.000 -3.971) 5.272 6.034 ( 2.597 -0.000 -6.669) 7.156 6.128 ( 2.759 -0.000 4.484) 5.265 6.431 ( -3.503 0.000 0.121) 3.505 6.491 ( 3.237 -0.000 -3.571) 4.820 6.602 ( 1.148 -0.000 -0.971) 1.504 7.791 ( -3.572 0.000 -1.693) 3.953 7.956 ( 3.055 -0.000 5.135) 5.975 8.333 ( 2.859 -0.000 6.300) 6.918 8.474 ( -4.852 0.000 0.507) 4.878 8.966 ( 1.344 -0.000 -2.809) 3.113 9.191 ( 6.011 -0.000 0.721) 6.054 9.296 ( 4.139 -0.000 4.937) 6.442 9.341 ( 9.801 -0.000 3.360) 10.361 9.364 ( -13.423 0.000 -13.899) 19.323 9.562 ( 3.501 -0.000 2.015) 4.040 9.719 ( 6.710 -0.000 -2.870) 7.298 9.909 ( -6.841 0.000 5.419) 8.727 10.256 ( -6.893 0.000 1.512) 7.057 10.288 ( 5.481 -0.000 4.546) 7.121 10.605 ( 2.676 -0.000 6.530) 7.057 10.925 ( -1.427 0.000 -8.277) 8.399 11.069 ( 1.565 -0.000 -0.896) 1.804 11.263 ( -3.901 0.000 -0.685) 3.960 11.338 ( 3.817 -0.000 -0.728) 3.886 11.623 ( 2.416 -0.000 -0.204) 2.424 11.752 ( 3.449 -0.000 3.942) 5.237 11.933 ( -5.366 0.000 0.767) 5.420 12.260 ( 15.648 -0.000 3.704) 16.081 12.476 ( -6.451 0.000 -3.889) 7.533 12.533 ( -0.475 0.000 -2.937) 2.975 12.684 ( 1.279 -0.000 3.032) 3.291 12.948 ( 1.209 -0.000 1.707) 2.092 13.114 ( 0.499 -0.000 -9.237) 9.250 13.197 ( -5.720 0.000 7.703) 9.595 13.436 ( -0.465 0.000 -2.318) 2.364 13.563 ( -4.271 0.000 -5.159) 6.697 13.611 ( 2.338 -0.000 0.415) 2.375 14.542 ( -2.994 0.000 -1.226) 3.235 14.551 ( -2.698 0.000 0.754) 2.801 14.720 ( -0.113 0.000 -3.172) 3.174 15.023 ( -0.307 0.000 -1.004) 1.050 15.055 ( -9.417 0.000 -11.026) 14.500 15.258 ( 1.369 -0.000 -0.299) 1.402 15.836 ( -6.934 0.000 3.041) 7.572 16.415 ( 1.548 -0.000 4.394) 4.659 16.680 ( -0.118 0.000 -3.649) 3.651 16.684 ( 1.901 -0.000 -5.182) 5.519 16.918 ( -1.370 0.000 0.478) 1.451 17.055 ( -2.674 0.000 -2.872) 3.924 17.241 ( -0.106 0.000 -1.084) 1.089 17.396 ( 5.945 -0.000 4.490) 7.450 19.919 ( 4.103 -0.000 8.778) 9.689 20.069 ( -5.909 0.000 0.286) 5.916 20.900 ( 0.637 -0.000 1.514) 1.643 20.979 ( -0.290 0.000 0.592) 0.659 21.934 ( 2.514 -0.000 -4.317) 4.996 22.374 ( 1.783 -0.000 0.566) 1.871 23.217 ( 1.238 -0.000 -0.406) 1.303 23.526 ( -0.039 0.000 -0.449) 0.451 26.966 ( -0.039 0.000 0.064) 0.075 26.975 ( -0.071 0.000 0.005) 0.071 29.442 ( 0.878 -0.000 -0.278) 0.921 29.497 ( 6.072 -0.000 4.128) 7.342 30.528 ( -9.131 0.000 -4.934) 10.379 30.779 ( -4.253 0.000 -3.373) 5.428 30.837 ( -4.452 0.000 -3.350) 5.572 31.423 ( -1.611 0.000 -0.596) 1.718 31.467 ( -8.066 0.000 -3.331) 8.726 32.038 ( 1.186 -0.000 -0.451) 1.268 32.093 ( 5.082 -0.000 4.066) 6.509 32.391 ( 6.723 -0.000 0.102) 6.724 32.745 ( 3.670 -0.000 -0.364) 3.688 33.518 ( -4.156 0.000 -2.028) 4.624 34.097 ( -0.966 0.000 -2.246) 2.445 34.893 ( -14.539 0.000 20.330) 24.994 35.318 ( 0.016 -0.000 -0.506) 0.507 35.418 ( -5.885 0.000 6.682) 8.904 35.547 ( -0.718 0.000 1.461) 1.628 36.051 ( -1.727 0.000 -2.675) 3.185 36.151 ( 7.069 -0.000 -11.944) 13.879 36.261 ( 9.104 -0.000 -10.823) 14.143 36.399 ( -6.261 0.000 0.002) 6.261 38.758 ( 10.465 -0.000 5.851) 11.990 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 16.147 -3.426 12.272) 20.569 1.614 ( 15.070 -9.621 11.890) 21.472 2.289 ( 5.372 -5.515 -9.532) 12.253 2.530 ( 16.022 -1.048 8.232) 18.044 2.673 ( 2.671 4.204 13.546) 14.432 2.850 ( 1.832 -0.734 5.165) 5.529 2.879 ( 3.390 -3.601 3.795) 6.234 3.183 ( 3.869 0.579 -1.920) 4.357 3.316 ( -6.684 -13.311 2.878) 15.170 3.390 ( -8.319 -2.487 -6.369) 10.768 3.640 ( -2.102 0.419 0.080) 2.145 3.703 ( -2.952 0.671 -3.668) 4.755 3.835 ( 3.405 -0.929 1.826) 3.974 3.895 ( 5.839 -1.930 -7.368) 9.597 4.023 ( -11.955 2.870 1.615) 12.400 4.220 ( -10.657 1.957 -5.391) 12.102 4.338 ( -4.717 -5.037 -2.423) 7.314 4.784 ( -2.830 3.093 1.603) 4.489 4.874 ( 0.735 4.938 -0.138) 4.994 4.977 ( -5.319 -3.403 -3.280) 7.115 5.169 ( -0.498 -4.721 -2.163) 5.217 5.350 ( 5.263 -0.985 5.841) 7.924 5.555 ( 9.180 2.610 4.196) 10.426 5.718 ( 6.288 -7.056 -0.468) 9.463 5.841 ( -3.216 2.040 -2.690) 4.663 5.970 ( 4.018 5.105 -4.977) 8.184 6.144 ( -0.385 0.239 2.265) 2.310 6.346 ( -5.310 3.906 -4.127) 7.778 6.500 ( 2.413 5.239 -0.128) 5.769 6.583 ( 2.989 0.107 -1.108) 3.190 7.787 ( 1.493 -0.665 1.550) 2.253 8.000 ( 3.333 0.712 1.938) 3.920 8.364 ( 0.260 2.468 6.977) 7.405 8.404 ( -6.076 2.529 -1.865) 6.841 8.896 ( -1.080 3.478 -3.850) 5.300 9.169 ( -8.367 -1.257 -8.841) 12.238 9.187 ( 0.792 4.301 -0.448) 4.396 9.373 ( 1.623 -0.952 2.529) 3.152 9.502 ( 6.396 -5.214 4.090) 9.210 9.559 ( 2.364 2.667 -1.115) 3.734 9.820 ( 6.277 -3.694 -0.520) 7.301 9.927 ( 1.633 -1.624 5.543) 6.002 10.217 ( -3.605 0.839 4.605) 5.908 10.345 ( 4.247 0.872 2.434) 4.973 10.576 ( 1.031 7.750 0.514) 7.835 10.902 ( 1.570 -1.522 -1.439) 2.618 11.012 ( 3.913 7.198 1.263) 8.289 11.241 ( -3.451 -1.353 -1.279) 3.921 11.384 ( 3.836 -1.167 3.235) 5.152 11.647 ( 3.084 -0.709 -2.946) 4.324 11.768 ( 2.903 3.312 3.075) 5.372 11.942 ( -5.498 -4.969 2.430) 7.799 12.203 ( 12.337 13.923 4.366) 19.108 12.417 ( -1.399 2.591 -4.582) 5.447 12.483 ( -5.519 0.936 -7.228) 9.142 12.630 ( -2.488 5.445 0.947) 6.061 12.872 ( -1.067 7.547 -0.754) 7.659 12.963 ( -4.587 7.447 -3.082) 9.274 13.228 ( -0.169 -2.288 4.607) 5.147 13.432 ( -3.208 -3.213 -5.734) 7.314 13.600 ( 2.781 -1.677 -0.084) 3.249 13.655 ( 3.009 -4.389 2.550) 5.901 14.495 ( -5.153 0.105 -2.662) 5.801 14.668 ( -4.679 -11.759 -2.387) 12.879 14.729 ( 6.018 2.934 -0.046) 6.696 14.934 ( -6.213 -12.140 -4.428) 14.339 15.201 ( -7.235 -10.467 -9.796) 16.059 15.276 ( -2.088 -5.559 0.026) 5.938 15.919 ( 0.869 -7.484 8.667) 11.484 16.360 ( 4.585 9.060 1.684) 10.293 16.585 ( -0.381 7.049 -3.283) 7.785 16.637 ( -5.137 0.128 -5.684) 7.662 16.969 ( -0.903 -4.844 0.771) 4.988 17.069 ( -2.460 -4.182 -2.029) 5.259 17.313 ( -0.555 -7.032 -0.948) 7.118 17.469 ( 4.428 -0.642 3.225) 5.515 19.996 ( 3.202 0.106 7.496) 8.152 20.070 ( -5.288 -4.815 0.239) 7.155 20.802 ( 0.445 9.261 1.120) 9.339 20.987 ( -0.037 2.160 0.609) 2.244 21.995 ( 1.937 -7.376 -3.162) 8.255 22.459 ( 1.341 -7.140 0.470) 7.280 23.123 ( 1.554 9.470 0.047) 9.597 23.498 ( 0.094 3.411 -0.315) 3.427 27.065 ( 0.362 -11.081 0.456) 11.096 27.164 ( -4.087 -18.798 -2.806) 19.441 29.280 ( -1.434 15.947 -0.924) 16.038 29.501 ( 7.352 7.765 4.696) 11.679 30.571 ( -6.270 -13.084 -4.462) 15.179 30.738 ( -3.652 -1.290 -2.874) 4.823 30.817 ( -4.727 -3.903 -3.711) 7.166 31.389 ( -2.844 -0.843 0.532) 3.013 31.455 ( -4.630 -3.365 -2.220) 6.139 31.939 ( 1.977 8.871 -0.181) 9.090 32.077 ( 3.112 8.200 2.366) 9.084 32.528 ( 5.287 -8.655 0.148) 10.143 32.873 ( 3.247 -9.813 0.417) 10.344 33.453 ( -4.201 2.313 -2.036) 5.210 34.026 ( -1.549 5.860 -0.937) 6.133 34.482 ( 3.447 35.110 14.572) 38.170 35.331 ( -0.985 -1.357 0.404) 1.725 35.420 ( -0.830 -1.350 0.221) 1.600 35.545 ( -1.209 -0.506 1.480) 1.977 36.107 ( -4.775 -1.175 6.994) 8.549 36.259 ( -0.847 -1.399 0.299) 1.663 36.272 ( 5.834 -3.190 -13.693) 15.222 36.456 ( -6.252 -18.744 -7.089) 20.992 38.790 ( 9.032 8.459 5.017) 13.353 ======================= Grid point 21 (15/114) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 2.170 -9.344 7.572) 12.221 1.867 ( 3.058 -8.835 4.367) 10.318 2.370 ( -0.107 -1.289 -5.897) 6.037 2.585 ( 3.043 -1.441 6.773) 7.564 2.756 ( 10.316 7.585 8.815) 15.545 2.906 ( -3.847 6.550 1.770) 7.800 3.057 ( 0.386 -11.228 -4.956) 12.279 3.148 ( 0.768 -7.883 -0.970) 7.979 3.425 ( -1.705 -8.575 0.935) 8.793 3.521 ( 4.340 0.101 3.418) 5.526 3.678 ( 3.480 -6.553 -0.539) 7.439 3.682 ( 5.308 -3.732 -10.576) 12.408 3.828 ( -9.804 2.477 -1.878) 10.285 3.885 ( -3.448 -1.286 7.974) 8.782 3.988 ( 1.650 -0.262 0.859) 1.879 4.109 ( -3.552 -2.299 -7.865) 8.930 4.398 ( -0.484 -4.184 -1.942) 4.638 4.747 ( -0.230 0.235 5.170) 5.181 4.840 ( 0.820 1.124 2.859) 3.180 5.005 ( -3.175 -4.433 -3.562) 6.512 5.182 ( -1.851 -1.605 -5.030) 5.595 5.323 ( -4.370 7.290 3.489) 9.187 5.614 ( 7.815 3.998 5.667) 10.449 5.743 ( 1.969 8.268 -4.147) 9.457 5.821 ( -0.890 -7.320 0.507) 7.392 5.913 ( 1.487 5.330 3.299) 6.443 6.160 ( -3.644 4.043 -7.194) 9.021 6.282 ( 5.212 -7.493 3.709) 9.852 6.332 ( -1.773 9.837 -1.993) 10.192 6.628 ( 3.905 -0.824 -0.412) 4.012 7.817 ( 0.785 0.214 2.173) 2.320 7.956 ( -0.643 6.306 -3.359) 7.174 8.214 ( -9.806 4.649 -5.399) 12.121 8.455 ( 6.603 -2.715 11.321) 13.384 8.876 ( 0.037 -2.804 -1.675) 3.266 9.058 ( -6.326 2.864 -1.895) 7.199 9.179 ( -0.022 -4.383 -4.778) 6.484 9.401 ( 1.290 0.686 2.173) 2.619 9.486 ( 1.791 5.164 0.306) 5.474 9.622 ( -0.315 -1.648 1.252) 2.093 9.883 ( 0.636 -1.537 -3.247) 3.648 10.010 ( 3.726 -1.151 3.463) 5.215 10.218 ( 2.613 6.033 7.164) 9.724 10.286 ( 2.861 6.453 -3.103) 7.710 10.470 ( 1.271 2.650 0.204) 2.946 10.922 ( 4.117 6.520 4.092) 8.730 10.935 ( 2.516 2.342 -0.449) 3.467 11.254 ( -2.773 -3.541 -0.302) 4.507 11.460 ( 3.907 0.600 7.554) 8.526 11.642 ( 0.642 -0.023 -5.626) 5.663 11.732 ( 1.648 3.514 2.351) 4.537 12.037 ( 6.335 0.359 2.477) 6.811 12.111 ( 2.451 2.652 1.814) 4.042 12.304 ( -6.491 2.138 -5.348) 8.678 12.364 ( -2.581 1.933 -3.625) 4.852 12.509 ( -1.519 6.539 1.330) 6.843 12.709 ( -2.540 6.451 -4.765) 8.412 12.861 ( -2.983 -0.862 0.426) 3.134 13.290 ( 0.150 -0.757 4.019) 4.092 13.437 ( -2.053 -3.643 -5.818) 7.165 13.553 ( -4.821 1.320 -3.094) 5.878 13.872 ( 10.676 -5.410 6.192) 13.475 14.422 ( -10.376 -3.989 -6.808) 13.036 14.669 ( 2.419 9.056 4.159) 10.255 14.860 ( 0.471 -12.533 -2.540) 12.796 15.123 ( -0.135 -6.833 -1.807) 7.069 15.282 ( -2.262 -12.407 -3.494) 13.087 15.423 ( -4.656 -11.450 -3.027) 12.726 16.073 ( 3.316 1.988 8.547) 9.380 16.330 ( 5.389 -2.833 3.706) 7.128 16.415 ( -1.494 6.646 -5.485) 8.746 16.561 ( -6.855 -1.000 -5.226) 8.677 17.049 ( -1.460 -4.629 0.140) 4.856 17.133 ( -0.620 -5.036 -0.944) 5.161 17.409 ( -0.960 -3.672 0.577) 3.839 17.513 ( 2.434 -0.130 0.942) 2.613 20.048 ( 1.242 -0.521 4.493) 4.691 20.158 ( -3.581 -8.727 0.063) 9.433 20.623 ( 0.470 11.467 0.463) 11.486 20.902 ( 0.368 6.992 0.172) 7.003 22.179 ( 1.428 -12.712 -1.715) 12.906 22.628 ( 0.507 -10.024 0.563) 10.053 22.950 ( 1.007 10.475 -0.235) 10.526 23.403 ( 0.328 7.215 -0.023) 7.223 27.355 ( 0.955 -19.621 1.152) 19.678 27.471 ( -5.667 -21.303 -3.922) 22.390 28.911 ( -2.315 21.817 -1.394) 21.983 29.404 ( 7.982 12.304 5.501) 15.664 30.742 ( -2.172 -4.764 -2.674) 5.879 30.778 ( -2.761 -11.773 -0.970) 12.131 30.872 ( -4.290 -10.101 -4.313) 11.791 31.402 ( -3.671 -2.504 -0.638) 4.489 31.484 ( -0.961 -2.880 0.673) 3.110 31.784 ( 0.562 9.187 -0.702) 9.230 31.923 ( 1.346 10.685 -0.469) 10.780 32.735 ( 3.905 -9.506 0.693) 10.300 33.102 ( 2.800 -11.728 0.971) 12.097 33.352 ( -3.822 4.081 -1.668) 5.835 33.857 ( -1.191 13.130 5.230) 14.183 34.029 ( 6.959 25.735 3.653) 26.908 35.353 ( -0.870 -1.544 0.358) 1.808 35.451 ( 0.118 -2.381 -0.770) 2.505 35.562 ( -1.092 -1.506 0.949) 2.088 36.127 ( -2.032 -0.696 3.718) 4.293 36.253 ( 3.315 1.130 -3.998) 5.315 36.261 ( -0.844 0.185 -0.331) 0.925 36.762 ( -6.771 -23.053 -5.892) 24.739 38.656 ( 6.007 15.128 3.271) 16.602 ======================= Grid point 22 (16/114) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -2.612 1.581 -0.155) 3.057 2.075 ( -1.019 -20.594 0.222) 20.620 2.297 ( -3.435 3.465 -0.828) 4.949 2.541 ( 0.056 11.254 -2.198) 11.467 2.648 ( 1.907 11.454 -0.719) 11.634 2.851 ( -2.039 -11.491 7.704) 13.984 3.162 ( -0.272 -4.265 -5.934) 7.313 3.331 ( 3.124 4.192 0.555) 5.258 3.470 ( 2.107 2.025 4.714) 5.546 3.565 ( 4.574 -1.560 -2.577) 5.477 3.654 ( -4.130 1.663 -2.129) 4.935 3.787 ( 1.349 -4.877 3.887) 6.381 3.867 ( 0.668 -4.732 -1.347) 4.965 3.943 ( -3.389 -2.133 10.151) 10.912 3.994 ( 9.101 0.994 -8.173) 12.272 4.161 ( -3.750 -8.466 -4.769) 10.415 4.420 ( 0.658 1.841 0.198) 1.965 4.815 ( 1.118 -2.983 4.114) 5.204 4.877 ( -0.942 -3.098 1.660) 3.639 5.008 ( -3.053 0.718 -1.310) 3.399 5.158 ( -3.302 1.482 -0.356) 3.636 5.195 ( -0.949 -2.142 -2.785) 3.639 5.572 ( 0.073 4.289 1.931) 4.704 5.641 ( 3.988 4.119 2.686) 6.332 5.765 ( -1.645 9.909 -1.933) 10.229 5.966 ( 1.812 -4.443 0.666) 4.844 6.091 ( -3.148 1.297 2.547) 4.252 6.119 ( 0.285 3.796 -5.943) 7.057 6.542 ( 5.696 -9.856 2.967) 11.763 6.643 ( 1.395 1.559 0.033) 2.092 7.787 ( -2.881 5.752 -3.768) 7.455 7.833 ( 2.556 0.093 1.889) 3.180 8.052 ( -9.587 1.727 -5.374) 11.125 8.643 ( 7.125 -2.128 9.669) 12.198 8.943 ( 1.575 -4.778 -1.056) 5.140 8.968 ( -4.411 0.663 -2.355) 5.044 9.261 ( 3.709 -1.552 1.440) 4.270 9.387 ( -1.930 1.275 -2.118) 3.136 9.432 ( 1.446 0.632 2.340) 2.823 9.574 ( -2.774 5.075 -1.730) 6.036 9.875 ( -2.882 -4.260 -3.930) 6.473 10.013 ( 4.513 9.516 2.291) 10.778 10.117 ( 1.025 4.426 2.468) 5.170 10.247 ( -0.443 -2.142 -3.386) 4.031 10.446 ( 2.019 4.454 2.580) 5.529 10.820 ( 1.287 8.727 1.651) 8.975 10.894 ( 0.013 2.805 -0.486) 2.847 11.308 ( -0.686 -2.922 0.460) 3.036 11.463 ( 2.465 4.758 3.828) 6.585 11.604 ( 1.675 4.745 0.576) 5.064 11.696 ( 0.193 2.396 -0.677) 2.498 12.003 ( 3.559 3.386 -2.687) 5.599 12.098 ( -5.163 -2.273 -2.367) 6.118 12.258 ( -2.225 3.311 0.327) 4.003 12.399 ( 0.985 -9.701 1.779) 9.912 12.493 ( 1.609 -3.009 4.716) 5.821 12.587 ( -1.062 1.147 -5.659) 5.871 12.867 ( 0.704 2.747 1.033) 3.018 13.282 ( 1.494 4.026 3.070) 5.279 13.473 ( -1.030 -5.521 -5.494) 7.856 13.519 ( -7.169 -5.571 -2.487) 9.413 13.944 ( 3.398 6.622 2.497) 7.851 14.474 ( 2.699 1.762 -2.819) 4.282 14.514 ( -5.327 -1.166 1.705) 5.713 15.045 ( 1.236 -7.587 -0.484) 7.702 15.237 ( 0.037 -8.203 -0.120) 8.204 15.407 ( -0.815 -1.769 -1.085) 2.230 15.558 ( -0.730 -7.305 -0.905) 7.397 16.093 ( 5.467 2.257 7.726) 9.730 16.288 ( -3.796 2.585 -6.712) 8.133 16.310 ( -3.102 6.365 -1.290) 7.197 16.698 ( 1.932 -15.303 1.455) 15.493 17.114 ( -1.395 -4.094 -0.606) 4.368 17.213 ( 0.287 -4.141 -0.354) 4.166 17.418 ( -0.495 2.636 1.186) 2.932 17.532 ( 0.919 -0.457 -0.298) 1.069 20.104 ( 0.028 -3.879 1.572) 4.186 20.317 ( -1.263 -10.839 -0.197) 10.914 20.412 ( 0.093 12.362 0.156) 12.364 20.770 ( 0.630 7.894 -0.059) 7.919 22.429 ( 1.110 -14.199 -0.311) 14.245 22.751 ( -0.064 9.277 2.025) 9.495 22.836 ( 0.005 -9.844 -1.919) 10.029 23.248 ( 0.145 10.208 -0.005) 10.209 27.755 ( -0.056 -22.722 0.284) 22.724 27.798 ( -2.549 -21.759 -1.748) 21.978 28.478 ( -1.437 23.868 -0.969) 23.931 29.266 ( 6.373 12.172 4.592) 14.487 30.807 ( -1.415 -5.470 -1.668) 5.891 30.911 ( -1.619 -7.134 -0.413) 7.328 31.084 ( -0.370 -14.156 -1.392) 14.229 31.408 ( -1.430 -0.905 0.003) 1.693 31.533 ( 0.243 -1.767 1.187) 2.143 31.612 ( -1.928 8.925 -1.855) 9.317 31.733 ( -0.937 9.052 -1.953) 9.307 32.908 ( 2.578 -5.266 0.886) 5.930 33.206 ( 0.129 6.111 -1.295) 6.248 33.345 ( -0.436 -8.540 1.337) 8.655 33.615 ( 1.837 16.189 9.827) 19.027 33.713 ( 0.397 12.387 -6.669) 14.074 35.371 ( -0.376 -0.815 0.031) 0.898 35.489 ( 0.020 -1.978 -0.260) 1.995 35.586 ( -0.414 -1.371 0.183) 1.444 36.136 ( -0.664 -0.084 0.668) 0.946 36.233 ( 0.740 1.153 -0.785) 1.579 36.272 ( 0.786 -1.397 0.428) 1.659 37.097 ( -3.568 -21.434 -2.368) 21.858 38.406 ( 2.730 17.284 1.470) 17.560 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -0.000 16.378 0.000) 16.378 1.981 ( -0.000 22.127 0.000) 22.127 2.395 ( -0.000 10.194 0.000) 10.194 2.564 ( 0.000 -24.649 -0.000) 24.649 2.593 ( 0.000 -6.816 -0.000) 6.816 3.090 ( -0.000 10.993 0.000) 10.993 3.090 ( 0.000 -7.192 -0.000) 7.192 3.120 ( -0.000 14.810 0.000) 14.810 3.427 ( -0.000 5.445 0.000) 5.445 3.545 ( -0.000 2.781 0.000) 2.781 3.666 ( 0.000 -5.125 -0.000) 5.125 3.736 ( -0.000 13.285 0.000) 13.285 3.871 ( -0.000 4.904 0.000) 4.904 4.016 ( 0.000 -0.956 -0.000) 0.956 4.017 ( 0.000 -4.688 -0.000) 4.688 4.278 ( 0.000 -8.095 -0.000) 8.095 4.425 ( 0.000 -5.008 -0.000) 5.008 4.891 ( 0.000 -4.294 -0.000) 4.294 4.899 ( -0.000 0.855 0.000) 0.855 4.983 ( 0.000 -1.470 -0.000) 1.470 5.186 ( 0.000 -3.841 -0.000) 3.841 5.312 ( 0.000 -11.645 -0.000) 11.645 5.498 ( -0.000 7.241 0.000) 7.241 5.644 ( 0.000 -2.805 -0.000) 2.805 5.650 ( -0.000 0.395 0.000) 0.395 5.940 ( -0.000 8.144 0.000) 8.144 5.991 ( -0.000 2.079 0.000) 2.079 6.228 ( 0.000 -7.955 -0.000) 7.955 6.594 ( -0.000 3.914 0.000) 3.914 6.715 ( 0.000 -5.522 -0.000) 5.522 7.691 ( -0.000 2.590 0.000) 2.590 7.890 ( 0.000 -2.446 -0.000) 2.446 7.971 ( 0.000 -0.996 -0.000) 0.996 8.668 ( -0.000 4.319 0.000) 4.319 8.945 ( -0.000 0.676 0.000) 0.676 9.046 ( 0.000 -4.924 -0.000) 4.924 9.230 ( -0.000 5.682 0.000) 5.682 9.315 ( -0.000 2.490 0.000) 2.490 9.451 ( -0.000 4.819 0.000) 4.819 9.548 ( 0.000 -8.282 -0.000) 8.282 9.894 ( -0.000 5.313 0.000) 5.313 9.989 ( 0.000 -8.278 -0.000) 8.278 10.009 ( -0.000 4.807 0.000) 4.807 10.328 ( 0.000 -4.561 -0.000) 4.561 10.334 ( -0.000 8.474 0.000) 8.474 10.676 ( -0.000 6.604 0.000) 6.604 10.867 ( 0.000 -0.533 -0.000) 0.533 11.315 ( -0.000 2.421 0.000) 2.421 11.414 ( -0.000 2.370 0.000) 2.370 11.503 ( -0.000 5.448 0.000) 5.448 11.659 ( -0.000 2.004 0.000) 2.004 11.923 ( -0.000 4.891 0.000) 4.891 12.181 ( 0.000 -6.674 -0.000) 6.674 12.220 ( 0.000 -1.432 -0.000) 1.432 12.517 ( 0.000 -3.872 -0.000) 3.872 12.613 ( 0.000 -1.559 -0.000) 1.559 12.672 ( 0.000 -12.861 -0.000) 12.861 12.744 ( -0.000 8.942 0.000) 8.942 13.227 ( -0.000 3.499 0.000) 3.499 13.550 ( 0.000 -2.473 -0.000) 2.473 13.628 ( 0.000 -12.116 -0.000) 12.116 13.802 ( -0.000 9.382 0.000) 9.382 14.286 ( -0.000 10.754 0.000) 10.754 14.637 ( 0.000 -4.129 -0.000) 4.129 15.124 ( -0.000 0.868 0.000) 0.868 15.406 ( 0.000 -3.148 -0.000) 3.148 15.409 ( 0.000 -10.551 -0.000) 10.551 15.634 ( 0.000 -0.743 -0.000) 0.743 16.053 ( -0.000 10.665 0.000) 10.665 16.213 ( -0.000 6.357 0.000) 6.357 16.215 ( 0.000 -5.803 -0.000) 5.803 16.997 ( 0.000 -15.117 -0.000) 15.117 17.172 ( 0.000 -3.437 -0.000) 3.437 17.275 ( 0.000 -2.470 -0.000) 2.470 17.335 ( -0.000 6.112 0.000) 6.112 17.531 ( -0.000 1.202 0.000) 1.202 20.194 ( -0.000 11.849 0.000) 11.849 20.215 ( 0.000 -8.026 -0.000) 8.026 20.513 ( 0.000 -11.363 -0.000) 11.363 20.631 ( -0.000 7.988 0.000) 7.988 22.554 ( -0.000 11.906 0.000) 11.906 22.681 ( 0.000 -13.114 -0.000) 13.114 23.040 ( 0.000 -12.028 -0.000) 12.028 23.046 ( -0.000 12.296 0.000) 12.296 28.040 ( -0.000 23.827 0.000) 23.827 28.126 ( 0.000 -20.550 -0.000) 20.550 28.211 ( 0.000 -23.975 -0.000) 23.975 29.117 ( -0.000 9.390 0.000) 9.390 30.873 ( 0.000 -2.240 -0.000) 2.240 31.025 ( 0.000 -5.830 -0.000) 5.830 31.250 ( 0.000 -1.841 -0.000) 1.841 31.411 ( -0.000 10.024 0.000) 10.024 31.446 ( 0.000 -3.696 -0.000) 3.696 31.555 ( 0.000 -0.409 -0.000) 0.409 31.627 ( 0.000 -0.757 -0.000) 0.757 32.887 ( -0.000 10.389 0.000) 10.389 33.070 ( -0.000 8.145 0.000) 8.145 33.368 ( -0.000 0.050 0.000) 0.050 33.465 ( -0.000 12.456 0.000) 12.456 33.649 ( 0.000 -10.070 -0.000) 10.070 35.375 ( -0.000 0.260 0.000) 0.260 35.511 ( 0.000 -0.353 -0.000) 0.353 35.602 ( 0.000 -0.360 -0.000) 0.360 36.134 ( -0.000 0.119 0.000) 0.119 36.216 ( -0.000 0.773 0.000) 0.773 36.320 ( 0.000 -3.119 -0.000) 3.119 37.422 ( 0.000 -15.747 -0.000) 15.747 38.138 ( -0.000 12.744 0.000) 12.744 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 11.543 -0.000 8.290) 14.212 1.757 ( 25.114 -0.000 12.222) 27.930 2.204 ( 2.714 -0.000 -7.656) 8.123 2.663 ( -8.335 0.000 -3.638) 9.095 2.803 ( 20.554 -0.000 9.735) 22.743 2.913 ( -0.423 0.000 8.980) 8.990 2.960 ( 4.069 -0.000 0.095) 4.071 3.013 ( -5.335 0.000 -4.035) 6.689 3.119 ( -12.967 0.000 11.342) 17.227 3.332 ( -3.865 0.000 -5.211) 6.488 3.650 ( 2.175 -0.000 0.520) 2.237 3.651 ( -3.893 0.000 -5.590) 6.812 3.872 ( 6.815 -0.000 -0.693) 6.850 3.883 ( 3.446 -0.000 -7.058) 7.855 3.935 ( -17.276 0.000 3.088) 17.550 4.160 ( -8.541 0.000 -7.474) 11.349 4.229 ( 0.100 -0.000 0.591) 0.599 4.792 ( -2.006 0.000 2.015) 2.844 4.892 ( -2.947 0.000 -2.910) 4.142 4.980 ( 1.816 -0.000 1.205) 2.180 5.110 ( 2.089 -0.000 0.769) 2.226 5.434 ( 5.413 -0.000 6.253) 8.270 5.635 ( -1.431 0.000 -0.831) 1.655 5.703 ( 8.549 -0.000 2.305) 8.855 5.811 ( 1.762 -0.000 -3.198) 3.651 6.022 ( 5.907 -0.000 -4.761) 7.587 6.149 ( -3.236 0.000 0.857) 3.347 6.339 ( -3.900 0.000 -1.739) 4.270 6.564 ( 4.049 -0.000 0.327) 4.062 6.601 ( -0.384 0.000 -0.958) 1.032 7.827 ( 5.750 -0.000 3.898) 6.947 8.063 ( 6.083 -0.000 3.157) 6.853 8.332 ( -10.106 0.000 -3.280) 10.625 8.433 ( -0.396 0.000 4.600) 4.617 8.939 ( -13.493 0.000 -13.812) 19.309 8.944 ( 0.159 -0.000 -2.392) 2.397 9.269 ( 1.481 -0.000 1.029) 1.804 9.396 ( 2.896 -0.000 3.358) 4.434 9.556 ( 7.682 -0.000 4.819) 9.068 9.575 ( -1.659 0.000 -2.074) 2.655 9.814 ( 4.822 -0.000 -2.026) 5.231 9.973 ( 3.908 -0.000 6.918) 7.945 10.248 ( 1.140 -0.000 8.430) 8.507 10.351 ( -0.962 0.000 -0.013) 0.962 10.686 ( 1.736 -0.000 0.479) 1.801 10.905 ( 4.786 -0.000 -0.050) 4.786 11.110 ( 3.500 -0.000 0.270) 3.510 11.202 ( -2.758 0.000 -0.295) 2.774 11.397 ( 3.921 -0.000 0.190) 3.925 11.676 ( 5.304 -0.000 -1.221) 5.443 11.844 ( -7.974 0.000 2.657) 8.405 11.857 ( 4.832 -0.000 3.743) 6.112 12.273 ( -8.148 0.000 -7.749) 11.245 12.380 ( -2.464 0.000 -3.499) 4.280 12.599 ( 11.905 -0.000 2.691) 12.205 12.606 ( -11.401 0.000 -5.944) 12.858 12.970 ( 0.163 -0.000 3.268) 3.272 12.991 ( -4.161 0.000 -6.176) 7.447 13.232 ( -0.032 0.000 4.771) 4.771 13.443 ( -3.805 0.000 -4.532) 5.917 13.503 ( 6.674 -0.000 4.921) 8.292 13.676 ( 2.747 -0.000 1.499) 3.129 14.468 ( -8.603 0.000 -7.796) 11.610 14.486 ( -2.220 0.000 -0.877) 2.386 14.598 ( -5.930 0.000 -5.653) 8.192 14.800 ( -2.672 0.000 -4.722) 5.425 15.022 ( 0.227 -0.000 0.271) 0.353 15.265 ( 0.086 -0.000 -0.157) 0.179 15.892 ( 1.659 -0.000 7.889) 8.061 16.491 ( 2.141 -0.000 3.897) 4.447 16.602 ( -2.115 0.000 -5.612) 5.997 16.653 ( 0.626 -0.000 -4.341) 4.385 16.906 ( -0.905 0.000 0.600) 1.086 16.999 ( -1.572 0.000 -1.067) 1.900 17.229 ( -0.133 0.000 -0.664) 0.677 17.513 ( 3.545 -0.000 2.645) 4.423 19.989 ( -4.233 0.000 0.196) 4.237 20.069 ( 3.193 -0.000 6.359) 7.116 20.925 ( 0.493 -0.000 1.089) 1.196 20.982 ( -0.223 0.000 0.553) 0.596 21.927 ( 1.246 -0.000 -2.020) 2.373 22.405 ( 1.285 -0.000 0.389) 1.342 23.228 ( 0.710 -0.000 -0.367) 0.799 23.528 ( 0.415 -0.000 0.032) 0.416 26.966 ( -0.027 0.000 0.043) 0.051 26.974 ( -0.056 0.000 0.020) 0.059 29.438 ( -0.784 0.000 -0.354) 0.860 29.635 ( 5.391 -0.000 3.233) 6.286 30.355 ( -5.215 0.000 -4.390) 6.816 30.686 ( -3.036 0.000 -2.267) 3.789 30.726 ( -4.202 0.000 -3.215) 5.291 31.338 ( -4.745 0.000 -1.474) 4.969 31.402 ( -1.053 0.000 0.348) 1.109 32.050 ( 0.511 -0.000 0.084) 0.518 32.199 ( 3.111 -0.000 2.809) 4.192 32.473 ( 3.629 -0.000 0.107) 3.631 32.796 ( 3.069 -0.000 -0.434) 3.099 33.433 ( -3.539 0.000 -1.610) 3.887 34.059 ( -0.867 0.000 -1.574) 1.797 34.897 ( -5.941 0.000 8.476) 10.351 35.308 ( -0.375 0.000 -0.593) 0.702 35.403 ( -2.791 0.000 2.778) 3.938 35.553 ( -0.372 0.000 0.971) 1.040 36.014 ( -0.120 0.000 -1.270) 1.276 36.130 ( 2.355 -0.000 -4.594) 5.163 36.276 ( 4.308 -0.000 -4.995) 6.596 36.307 ( -4.840 0.000 -0.231) 4.846 38.960 ( 7.223 -0.000 4.103) 8.307 ======================= Grid point 29 (19/114) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 7.844 -0.340 5.472) 9.570 1.855 ( 4.076 8.771 3.273) 10.211 2.266 ( 1.708 -7.281 -3.783) 8.381 2.630 ( 3.745 -5.754 5.900) 9.053 2.809 ( -4.776 -1.690 -5.518) 7.491 2.939 ( 0.288 0.145 3.160) 3.176 3.003 ( 8.116 5.616 5.694) 11.394 3.181 ( -2.683 5.631 -0.210) 6.241 3.213 ( -2.261 -10.678 -4.246) 11.712 3.304 ( -1.980 -21.177 4.243) 21.689 3.627 ( 1.852 -1.471 -5.140) 5.658 3.668 ( 3.450 0.770 0.164) 3.538 3.779 ( -11.826 1.700 -0.039) 11.947 3.903 ( 0.118 0.537 3.267) 3.313 3.922 ( -0.436 -2.959 -1.622) 3.402 4.052 ( -2.637 1.266 -6.330) 6.973 4.300 ( 0.975 -5.312 0.265) 5.407 4.793 ( 0.534 0.112 1.964) 2.038 4.867 ( -2.492 0.138 -0.962) 2.675 4.984 ( 5.059 2.011 4.999) 7.392 5.116 ( -2.492 0.102 -4.720) 5.339 5.434 ( -1.596 5.044 2.257) 5.752 5.658 ( -1.726 -6.811 -1.302) 7.146 5.741 ( 4.809 2.167 1.898) 5.606 5.891 ( 6.369 -1.447 1.064) 6.618 5.996 ( 0.138 6.796 -1.445) 6.949 6.146 ( 2.075 -5.728 0.175) 6.095 6.240 ( -3.739 6.558 -1.841) 7.770 6.505 ( -0.867 8.292 -0.519) 8.353 6.623 ( 2.060 -2.231 -0.159) 3.040 7.881 ( 4.989 2.084 3.584) 6.486 8.065 ( 1.739 5.976 0.025) 6.224 8.208 ( -8.049 4.300 -4.006) 9.966 8.478 ( 2.204 -4.189 5.494) 7.252 8.790 ( -4.821 -1.648 -5.057) 7.179 8.986 ( -2.482 -4.275 -3.511) 6.063 9.181 ( -0.416 7.353 -0.354) 7.373 9.443 ( 1.689 0.607 2.246) 2.875 9.558 ( 0.344 -0.340 -1.510) 1.586 9.620 ( 2.219 -0.009 2.276) 3.178 9.830 ( -0.627 -0.242 -2.175) 2.276 10.057 ( 4.951 -1.358 5.283) 7.367 10.276 ( -0.125 1.076 1.436) 1.799 10.410 ( 1.640 -3.921 4.831) 6.435 10.572 ( 1.128 11.544 -3.602) 12.145 10.965 ( 3.211 -0.808 2.015) 3.877 11.097 ( 4.219 5.170 1.187) 6.778 11.182 ( -3.057 -1.220 -0.346) 3.310 11.456 ( 1.935 -3.382 0.908) 4.000 11.682 ( 4.790 3.519 -2.160) 6.324 11.793 ( -4.321 0.609 2.637) 5.098 11.959 ( 4.248 -4.294 3.810) 7.141 12.191 ( -7.108 -0.662 -7.227) 10.158 12.332 ( 0.599 0.634 1.131) 1.429 12.500 ( -9.471 -1.273 -4.894) 10.737 12.553 ( 10.056 17.400 1.164) 20.130 12.814 ( -5.660 4.430 -3.241) 7.885 12.855 ( -2.457 11.341 0.504) 11.615 13.281 ( 1.060 -1.612 4.125) 4.554 13.348 ( -1.332 0.155 -4.032) 4.250 13.633 ( 0.992 5.474 0.272) 5.570 13.803 ( 6.741 -14.787 6.157) 17.378 14.291 ( -9.137 3.339 -8.410) 12.859 14.583 ( -1.436 -13.784 -1.500) 13.939 14.782 ( 2.478 -0.549 -1.453) 2.924 14.847 ( -2.580 -22.226 0.465) 22.380 15.070 ( -1.548 -3.815 -2.134) 4.637 15.261 ( -0.601 -2.165 0.197) 2.255 16.039 ( 1.760 -9.156 5.626) 10.890 16.433 ( 2.676 7.651 0.702) 8.136 16.503 ( -2.593 6.150 -4.399) 7.994 16.570 ( -0.421 5.600 -0.616) 5.649 16.943 ( -1.413 -4.333 -0.625) 4.600 17.047 ( -0.030 -5.002 0.191) 5.006 17.298 ( -0.309 -6.627 -0.421) 6.647 17.542 ( 1.675 0.372 1.180) 2.082 20.010 ( -2.203 -5.047 0.097) 5.508 20.098 ( 1.428 1.677 3.182) 3.870 20.817 ( 0.224 9.396 0.435) 9.409 20.992 ( -0.014 2.166 0.287) 2.185 21.992 ( 0.647 -7.461 -0.997) 7.555 22.479 ( 0.597 -6.780 0.209) 6.809 23.141 ( 0.615 8.928 -0.036) 8.949 23.501 ( 0.265 3.492 0.050) 3.502 27.074 ( 0.185 -11.882 0.244) 11.886 27.109 ( -1.049 -13.948 -0.684) 14.004 29.247 ( -1.166 17.217 -0.527) 17.264 29.637 ( 3.737 5.926 2.265) 7.363 30.465 ( -2.007 -15.290 -2.110) 15.565 30.670 ( -1.770 -1.638 -1.126) 2.662 30.718 ( -2.565 -3.496 -2.096) 4.816 31.325 ( -2.449 -2.167 -0.758) 3.357 31.425 ( -0.483 -2.876 0.429) 2.947 31.958 ( 0.557 8.809 0.079) 8.827 32.130 ( 1.283 9.772 0.816) 9.889 32.587 ( 1.887 -8.800 0.201) 9.003 32.919 ( 1.701 -10.163 0.177) 10.306 33.381 ( -2.118 2.458 -0.964) 3.385 33.998 ( -0.650 5.377 -0.620) 5.451 34.610 ( 0.430 26.912 4.429) 27.277 35.318 ( -0.639 -1.514 -0.025) 1.644 35.412 ( -0.391 -1.479 0.148) 1.537 35.544 ( -0.386 -0.053 0.517) 0.648 36.121 ( -2.011 -0.738 4.058) 4.589 36.232 ( 3.853 -9.730 -3.432) 11.013 36.273 ( 2.145 0.750 -2.600) 3.453 36.309 ( -5.804 -11.747 -2.411) 13.322 38.935 ( 3.693 9.332 2.082) 10.250 ======================= Grid point 30 (20/114) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.000 -5.934 -0.000) 5.934 1.869 ( 0.000 -3.998 -0.000) 3.998 2.333 ( -0.000 0.618 0.000) 0.618 2.707 ( 0.000 -3.599 -0.000) 3.599 2.816 ( -0.000 14.081 0.000) 14.081 2.873 ( -0.000 11.381 0.000) 11.381 3.005 ( 0.000 -10.268 -0.000) 10.268 3.207 ( 0.000 -16.409 -0.000) 16.409 3.410 ( 0.000 -8.925 -0.000) 8.925 3.601 ( -0.000 3.638 0.000) 3.638 3.653 ( 0.000 -6.865 -0.000) 6.865 3.703 ( 0.000 -3.017 -0.000) 3.017 3.716 ( 0.000 -6.441 -0.000) 6.441 3.931 ( 0.000 -2.637 -0.000) 2.637 3.983 ( 0.000 -4.833 -0.000) 4.833 4.011 ( 0.000 -0.345 -0.000) 0.345 4.401 ( 0.000 -4.489 -0.000) 4.489 4.825 ( 0.000 -1.139 -0.000) 1.139 4.841 ( -0.000 0.308 0.000) 0.308 4.990 ( -0.000 1.911 0.000) 1.911 5.088 ( 0.000 -2.761 -0.000) 2.761 5.303 ( -0.000 8.411 0.000) 8.411 5.719 ( -0.000 2.641 0.000) 2.641 5.747 ( -0.000 13.357 0.000) 13.357 5.822 ( 0.000 -10.335 -0.000) 10.335 6.004 ( 0.000 -3.826 -0.000) 3.826 6.010 ( -0.000 14.220 0.000) 14.220 6.306 ( -0.000 12.169 0.000) 12.169 6.361 ( 0.000 -12.752 -0.000) 12.752 6.661 ( 0.000 -0.641 -0.000) 0.641 7.871 ( -0.000 1.749 0.000) 1.749 7.912 ( -0.000 9.602 0.000) 9.602 8.057 ( -0.000 5.492 0.000) 5.492 8.637 ( 0.000 -6.346 -0.000) 6.346 8.832 ( 0.000 -5.944 -0.000) 5.944 8.980 ( -0.000 3.166 0.000) 3.166 9.149 ( 0.000 -6.137 -0.000) 6.137 9.421 ( -0.000 2.486 0.000) 2.486 9.538 ( -0.000 3.969 0.000) 3.969 9.617 ( -0.000 1.567 0.000) 1.567 9.801 ( -0.000 0.383 0.000) 0.383 10.141 ( 0.000 -3.175 -0.000) 3.175 10.240 ( -0.000 3.304 0.000) 3.304 10.291 ( -0.000 15.663 0.000) 15.663 10.501 ( 0.000 -0.875 -0.000) 0.875 10.957 ( -0.000 3.226 0.000) 3.226 10.989 ( -0.000 8.532 0.000) 8.532 11.231 ( 0.000 -4.723 -0.000) 4.723 11.556 ( 0.000 -5.899 -0.000) 5.899 11.594 ( -0.000 6.356 0.000) 6.356 11.777 ( -0.000 2.216 0.000) 2.216 12.042 ( -0.000 0.155 0.000) 0.155 12.188 ( 0.000 -6.936 -0.000) 6.936 12.207 ( -0.000 15.978 0.000) 15.978 12.361 ( -0.000 3.427 0.000) 3.427 12.484 ( 0.000 -3.195 -0.000) 3.195 12.636 ( -0.000 9.318 0.000) 9.318 12.824 ( 0.000 -4.784 -0.000) 4.784 13.316 ( 0.000 -3.144 -0.000) 3.144 13.371 ( 0.000 -1.363 -0.000) 1.363 13.509 ( -0.000 6.206 0.000) 6.206 14.108 ( -0.000 7.366 0.000) 7.366 14.180 ( 0.000 -17.953 -0.000) 17.953 14.711 ( -0.000 9.297 0.000) 9.297 14.851 ( 0.000 -14.449 -0.000) 14.449 15.114 ( 0.000 -5.006 -0.000) 5.006 15.234 ( 0.000 -17.336 -0.000) 17.336 15.379 ( 0.000 -9.931 -0.000) 9.931 16.195 ( 0.000 -1.267 -0.000) 1.267 16.304 ( -0.000 6.913 0.000) 6.913 16.436 ( -0.000 7.932 0.000) 7.932 16.463 ( 0.000 -8.370 -0.000) 8.370 17.023 ( 0.000 -5.115 -0.000) 5.115 17.137 ( 0.000 -4.612 -0.000) 4.612 17.404 ( 0.000 -4.453 -0.000) 4.453 17.538 ( -0.000 0.916 0.000) 0.916 20.084 ( -0.000 0.570 0.000) 0.570 20.130 ( 0.000 -8.923 -0.000) 8.923 20.630 ( -0.000 11.575 0.000) 11.575 20.906 ( -0.000 6.823 0.000) 6.823 22.181 ( 0.000 -13.073 -0.000) 13.073 22.636 ( 0.000 -10.021 -0.000) 10.021 22.957 ( -0.000 11.171 0.000) 11.171 23.406 ( -0.000 7.229 0.000) 7.229 27.369 ( 0.000 -20.037 -0.000) 20.037 27.409 ( 0.000 -19.711 -0.000) 19.711 28.882 ( -0.000 22.039 0.000) 22.039 29.507 ( -0.000 10.590 0.000) 10.590 30.710 ( 0.000 -3.977 -0.000) 3.977 30.769 ( 0.000 -18.522 -0.000) 18.522 30.785 ( 0.000 -5.848 -0.000) 5.848 31.359 ( 0.000 -2.686 -0.000) 2.686 31.487 ( 0.000 -3.552 -0.000) 3.552 31.784 ( -0.000 10.396 0.000) 10.396 31.932 ( -0.000 12.214 0.000) 12.214 32.770 ( 0.000 -9.949 -0.000) 9.949 33.136 ( 0.000 -12.548 -0.000) 12.548 33.305 ( -0.000 4.763 0.000) 4.763 33.861 ( -0.000 9.143 0.000) 9.143 34.115 ( -0.000 28.755 0.000) 28.755 35.346 ( 0.000 -1.710 -0.000) 1.710 35.447 ( 0.000 -2.408 -0.000) 2.408 35.559 ( 0.000 -1.409 -0.000) 1.409 36.132 ( 0.000 -0.359 -0.000) 0.359 36.256 ( -0.000 1.185 0.000) 1.185 36.262 ( 0.000 -0.237 -0.000) 0.237 36.669 ( 0.000 -23.576 -0.000) 23.576 38.725 ( -0.000 15.754 0.000) 15.754 ======================= Grid point 39 (21/114) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.000 -0.000 0.000) 0.000 2.109 ( 0.000 -0.000 0.000) 0.000 2.182 ( 0.000 -0.000 0.000) 0.000 2.497 ( 0.000 -0.000 -0.000) 0.000 2.935 ( 0.000 -0.000 0.000) 0.000 2.963 ( 0.000 -0.000 0.000) 0.000 2.990 ( -0.000 0.000 0.000) 0.000 3.002 ( 0.000 -0.000 -0.000) 0.000 3.117 ( 0.000 -0.000 0.000) 0.000 3.254 ( 0.000 -0.000 0.000) 0.000 3.610 ( 0.000 -0.000 0.000) 0.000 3.693 ( -0.000 0.000 0.000) 0.000 3.727 ( 0.000 -0.000 -0.000) 0.000 3.894 ( 0.000 -0.000 0.000) 0.000 3.929 ( -0.000 0.000 0.000) 0.000 4.027 ( 0.000 -0.000 0.000) 0.000 4.255 ( 0.000 -0.000 0.000) 0.000 4.791 ( -0.000 0.000 0.000) 0.000 4.858 ( 0.000 -0.000 0.000) 0.000 5.030 ( 0.000 -0.000 0.000) 0.000 5.125 ( 0.000 -0.000 0.000) 0.000 5.477 ( 0.000 -0.000 0.000) 0.000 5.583 ( 0.000 -0.000 0.000) 0.000 5.788 ( 0.000 -0.000 0.000) 0.000 5.864 ( 0.000 -0.000 0.000) 0.000 6.091 ( -0.000 0.000 0.000) 0.000 6.093 ( 0.000 -0.000 -0.000) 0.000 6.292 ( 0.000 -0.000 0.000) 0.000 6.582 ( 0.000 -0.000 0.000) 0.000 6.598 ( 0.000 -0.000 0.000) 0.000 7.952 ( 0.000 -0.000 0.000) 0.000 8.156 ( 0.000 -0.000 0.000) 0.000 8.181 ( 0.000 -0.000 0.000) 0.000 8.436 ( 0.000 -0.000 0.000) 0.000 8.736 ( 0.000 -0.000 0.000) 0.000 8.931 ( 0.000 -0.000 0.000) 0.000 9.286 ( 0.000 -0.000 0.000) 0.000 9.469 ( 0.000 -0.000 0.000) 0.000 9.501 ( 0.000 -0.000 0.000) 0.000 9.643 ( 0.000 -0.000 0.000) 0.000 9.831 ( 0.000 -0.000 0.000) 0.000 10.082 ( 0.000 -0.000 0.000) 0.000 10.311 ( 0.000 -0.000 -0.000) 0.000 10.348 ( 0.000 -0.000 0.000) 0.000 10.691 ( 0.000 -0.000 0.000) 0.000 10.975 ( 0.000 -0.000 0.000) 0.000 11.148 ( 0.000 -0.000 0.000) 0.000 11.178 ( 0.000 -0.000 0.000) 0.000 11.438 ( 0.000 -0.000 0.000) 0.000 11.748 ( -0.000 0.000 0.000) 0.000 11.760 ( 0.000 -0.000 -0.000) 0.000 11.950 ( -0.000 0.000 -0.000) 0.000 12.157 ( 0.000 -0.000 0.000) 0.000 12.320 ( 0.000 -0.000 0.000) 0.000 12.387 ( 0.000 -0.000 0.000) 0.000 12.766 ( -0.000 0.000 0.000) 0.000 12.876 ( 0.000 -0.000 0.000) 0.000 13.004 ( 0.000 -0.000 0.000) 0.000 13.276 ( 0.000 -0.000 0.000) 0.000 13.370 ( 0.000 -0.000 0.000) 0.000 13.632 ( 0.000 -0.000 0.000) 0.000 13.698 ( -0.000 0.000 0.000) 0.000 14.267 ( 0.000 -0.000 0.000) 0.000 14.463 ( 0.000 -0.000 0.000) 0.000 14.549 ( 0.000 -0.000 0.000) 0.000 14.770 ( 0.000 -0.000 0.000) 0.000 15.026 ( 0.000 -0.000 0.000) 0.000 15.264 ( 0.000 -0.000 0.000) 0.000 15.964 ( 0.000 -0.000 0.000) 0.000 16.541 ( 0.000 -0.000 0.000) 0.000 16.546 ( 0.000 -0.000 0.000) 0.000 16.618 ( 0.000 -0.000 0.000) 0.000 16.903 ( 0.000 -0.000 0.000) 0.000 16.982 ( 0.000 -0.000 0.000) 0.000 17.224 ( 0.000 -0.000 0.000) 0.000 17.556 ( 0.000 -0.000 0.000) 0.000 19.956 ( 0.000 -0.000 0.000) 0.000 20.133 ( 0.000 -0.000 0.000) 0.000 20.936 ( 0.000 -0.000 0.000) 0.000 20.983 ( 0.000 -0.000 0.000) 0.000 21.926 ( 0.000 -0.000 0.000) 0.000 22.418 ( 0.000 -0.000 0.000) 0.000 23.231 ( 0.000 -0.000 0.000) 0.000 23.533 ( 0.000 -0.000 0.000) 0.000 26.966 ( 0.000 -0.000 0.000) 0.000 26.973 ( 0.000 -0.000 0.000) 0.000 29.426 ( 0.000 -0.000 0.000) 0.000 29.702 ( 0.000 -0.000 0.000) 0.000 30.289 ( 0.000 -0.000 0.000) 0.000 30.648 ( 0.000 -0.000 0.000) 0.000 30.669 ( 0.000 -0.000 0.000) 0.000 31.293 ( 0.000 -0.000 0.000) 0.000 31.396 ( 0.000 -0.000 0.000) 0.000 32.054 ( 0.000 -0.000 0.000) 0.000 32.240 ( 0.000 -0.000 0.000) 0.000 32.502 ( 0.000 -0.000 0.000) 0.000 32.819 ( 0.000 -0.000 0.000) 0.000 33.393 ( 0.000 -0.000 0.000) 0.000 34.043 ( 0.000 -0.000 0.000) 0.000 34.899 ( 0.000 -0.000 0.000) 0.000 35.300 ( 0.000 -0.000 0.000) 0.000 35.397 ( 0.000 -0.000 -0.000) 0.000 35.556 ( 0.000 -0.000 0.000) 0.000 36.009 ( 0.000 -0.000 0.000) 0.000 36.122 ( -0.000 0.000 0.000) 0.000 36.264 ( 0.000 -0.000 0.000) 0.000 36.282 ( 0.000 -0.000 -0.000) 0.000 39.043 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 8.186 -0.000 23.805) 25.173 0.658 ( 6.512 -0.000 29.976) 30.675 1.103 ( 6.908 -0.000 48.071) 48.565 2.176 ( -2.891 0.000 -9.508) 9.938 2.263 ( 4.878 -0.000 10.275) 11.374 2.739 ( 5.071 -0.000 2.592) 5.695 2.952 ( -2.095 0.000 3.104) 3.745 3.184 ( -1.827 0.000 -8.458) 8.653 3.548 ( 2.020 -0.000 3.012) 3.627 3.610 ( 3.442 -0.000 -1.609) 3.800 3.639 ( 1.401 -0.000 -1.731) 2.226 3.701 ( 0.444 -0.000 -3.335) 3.365 3.907 ( 2.960 -0.000 -2.424) 3.826 4.118 ( -0.496 0.000 -5.569) 5.592 4.152 ( 1.300 -0.000 -8.308) 8.410 4.373 ( -1.599 0.000 1.442) 2.153 4.626 ( -1.306 0.000 9.863) 9.949 4.773 ( 2.130 -0.000 2.040) 2.950 4.970 ( 2.884 -0.000 -1.079) 3.079 5.012 ( -18.196 0.000 0.533) 18.204 5.249 ( -2.989 0.000 -4.986) 5.813 5.306 ( -3.591 0.000 -6.874) 7.755 5.469 ( -4.700 0.000 -0.650) 4.744 5.704 ( -15.804 0.000 -6.092) 16.937 5.834 ( 2.807 -0.000 -5.497) 6.172 5.933 ( 3.595 -0.000 -0.526) 3.633 5.987 ( 6.359 -0.000 9.853) 11.727 6.349 ( 2.723 -0.000 -0.511) 2.770 6.604 ( -1.463 0.000 -1.514) 2.105 6.633 ( -4.632 0.000 -4.408) 6.394 7.789 ( 6.858 -0.000 11.549) 13.432 8.187 ( -15.673 0.000 -8.410) 17.786 8.357 ( -2.893 0.000 -1.607) 3.310 8.480 ( 4.447 -0.000 4.448) 6.289 8.855 ( 1.076 -0.000 4.966) 5.081 8.957 ( -2.250 0.000 -0.299) 2.270 9.138 ( 6.145 -0.000 1.987) 6.458 9.173 ( 2.569 -0.000 -3.103) 4.029 9.473 ( -1.484 0.000 6.921) 7.078 9.576 ( -3.166 0.000 -8.072) 8.671 9.666 ( -1.234 0.000 -7.548) 7.648 9.936 ( 10.240 -0.000 5.729) 11.734 10.341 ( 4.042 -0.000 -0.186) 4.046 10.368 ( 0.669 -0.000 0.904) 1.125 10.561 ( -1.345 0.000 9.489) 9.584 10.956 ( -7.286 0.000 -11.970) 14.013 11.120 ( -8.046 0.000 -5.933) 9.997 11.257 ( 0.366 -0.000 0.121) 0.386 11.448 ( -6.731 0.000 -0.678) 6.765 11.539 ( 5.235 -0.000 9.607) 10.941 11.602 ( 1.838 -0.000 -6.447) 6.704 11.704 ( 0.021 -0.000 3.729) 3.729 12.147 ( 3.772 -0.000 4.489) 5.863 12.494 ( 6.663 -0.000 2.995) 7.305 12.531 ( 2.292 -0.000 0.400) 2.327 12.748 ( -15.473 0.000 0.335) 15.476 12.943 ( -0.397 0.000 -0.818) 0.909 12.995 ( 6.963 -0.000 -6.695) 9.660 13.399 ( 1.889 -0.000 5.764) 6.066 13.431 ( -0.084 0.000 -2.084) 2.086 13.635 ( -0.599 0.000 -6.045) 6.075 13.657 ( -3.054 0.000 -5.156) 5.992 14.556 ( 1.763 -0.000 -1.856) 2.560 14.584 ( 5.576 -0.000 0.379) 5.588 14.681 ( 41.777 -0.000 3.662) 41.937 14.786 ( -3.863 0.000 3.198) 5.015 15.114 ( 1.944 -0.000 1.528) 2.473 15.152 ( 2.045 -0.000 -2.873) 3.526 15.786 ( 29.323 -0.000 5.892) 29.910 16.243 ( -11.660 0.000 -2.195) 11.864 16.630 ( 1.777 -0.000 0.470) 1.838 16.709 ( -0.836 0.000 -3.188) 3.296 16.952 ( -0.750 0.000 0.117) 0.759 17.070 ( 1.777 -0.000 -5.240) 5.533 17.210 ( 3.348 -0.000 3.423) 4.788 17.328 ( -5.469 0.000 3.481) 6.483 19.792 ( 3.776 -0.000 5.854) 6.966 20.175 ( -2.771 0.000 -0.473) 2.812 20.889 ( 0.046 -0.000 1.932) 1.933 21.065 ( -4.074 0.000 -0.152) 4.077 21.977 ( -12.682 0.000 1.734) 12.800 22.306 ( 2.335 -0.000 -2.303) 3.280 23.212 ( -2.161 0.000 1.698) 2.748 23.516 ( 0.905 -0.000 -2.500) 2.658 26.968 ( -0.006 0.000 0.165) 0.165 26.976 ( 0.010 -0.000 -0.008) 0.013 29.396 ( -0.367 0.000 1.185) 1.240 29.423 ( -0.936 0.000 0.726) 1.185 30.802 ( -3.757 0.000 1.311) 3.979 30.914 ( 3.398 -0.000 -2.963) 4.508 30.932 ( -6.012 0.000 3.358) 6.886 31.239 ( 96.441 -0.000 3.296) 96.497 31.516 ( -5.619 0.000 0.718) 5.665 31.671 ( -2.137 0.000 -5.225) 5.645 31.940 ( 3.167 -0.000 3.641) 4.826 32.127 ( 3.496 -0.000 2.748) 4.447 32.685 ( -0.469 0.000 0.348) 0.583 32.835 ( 50.492 -0.000 -1.199) 50.506 33.615 ( -1.496 0.000 -0.142) 1.503 34.071 ( 1.709 -0.000 -6.581) 6.799 35.333 ( -1.226 0.000 1.484) 1.925 35.498 ( 1.882 -0.000 -0.873) 2.075 35.588 ( -0.904 0.000 2.738) 2.884 36.078 ( 0.803 -0.000 -5.461) 5.519 36.258 ( 0.494 -0.000 3.494) 3.529 36.547 ( -1.886 0.000 1.642) 2.500 38.158 ( -87.012 0.000 0.163) 87.012 38.411 ( 10.328 -0.000 -4.256) 11.171 ======================= Grid point 70 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 8.541 -14.992 25.193) 30.536 1.173 ( 7.034 -36.528 14.693) 39.996 1.569 ( 24.754 -10.387 35.035) 44.137 2.189 ( -2.254 -7.107 -10.049) 12.513 2.456 ( 12.702 -12.353 0.499) 17.725 2.767 ( 3.451 4.762 10.001) 11.602 2.847 ( -1.202 7.569 3.960) 8.627 3.064 ( 1.236 6.524 -7.284) 9.856 3.533 ( -0.668 2.910 -3.053) 4.270 3.568 ( -5.552 4.869 0.696) 7.417 3.612 ( 5.808 2.475 -0.906) 6.378 3.652 ( 1.275 0.779 -2.779) 3.156 3.940 ( -0.672 1.737 -2.341) 2.992 4.024 ( -5.321 -3.007 -10.185) 11.878 4.139 ( -1.358 1.012 -0.232) 1.709 4.392 ( -5.620 -2.262 -3.114) 6.812 4.686 ( -8.492 -1.788 8.629) 12.239 4.840 ( 0.126 1.089 1.108) 1.559 4.954 ( -5.931 -5.477 -2.760) 8.532 5.040 ( 5.932 -3.232 3.038) 7.407 5.233 ( -2.786 -1.287 -4.390) 5.356 5.303 ( 3.727 -5.632 -3.060) 7.415 5.456 ( 0.565 -3.422 -1.409) 3.743 5.508 ( -14.300 0.728 -5.472) 15.328 5.831 ( 3.763 2.337 -2.348) 5.014 5.908 ( 2.292 4.838 -2.250) 5.807 6.067 ( 4.243 1.558 9.506) 10.526 6.386 ( 3.674 -1.798 -0.940) 4.197 6.517 ( -3.597 5.090 -2.450) 6.697 6.581 ( -3.338 0.941 -4.960) 6.052 7.866 ( -1.120 3.391 4.177) 5.496 7.976 ( -3.202 1.797 1.720) 4.055 8.283 ( -1.233 4.989 1.223) 5.282 8.515 ( 0.397 0.621 2.322) 2.436 8.903 ( 3.946 1.931 3.272) 5.478 9.012 ( 4.425 -4.354 1.258) 6.334 9.182 ( 3.243 -0.767 1.168) 3.531 9.240 ( 5.199 -3.323 -0.990) 6.250 9.453 ( -1.782 2.314 -0.413) 2.950 9.554 ( -1.783 -0.943 -4.307) 4.756 9.657 ( 1.227 -4.466 -2.810) 5.418 10.058 ( 9.278 -1.844 2.632) 9.819 10.179 ( -7.176 8.721 3.974) 11.972 10.346 ( -3.457 3.173 -0.239) 4.698 10.561 ( 0.276 4.633 7.716) 9.004 10.859 ( 4.881 5.775 -6.021) 9.665 11.048 ( -9.437 -1.871 -3.929) 10.392 11.261 ( 1.103 0.562 0.298) 1.273 11.392 ( -4.447 -0.606 0.301) 4.498 11.562 ( 2.585 0.432 -1.067) 2.829 11.608 ( 11.770 5.152 1.608) 12.949 11.730 ( 2.401 2.935 4.143) 5.616 12.131 ( -2.977 1.768 4.583) 5.744 12.449 ( 2.658 6.187 4.729) 8.228 12.527 ( 2.460 2.629 0.720) 3.672 12.673 ( -0.668 -0.530 -0.968) 1.290 12.902 ( -0.451 3.297 -0.830) 3.430 12.955 ( 1.425 4.884 -7.281) 8.882 13.289 ( -3.200 1.655 5.688) 6.733 13.521 ( -2.130 0.474 -1.126) 2.456 13.549 ( 1.714 -0.718 -1.716) 2.530 13.676 ( -3.108 -5.595 -6.938) 9.440 14.423 ( 11.054 7.698 5.128) 14.414 14.577 ( 0.692 -0.085 0.602) 0.921 14.770 ( -1.355 -8.073 4.369) 9.279 15.113 ( -3.413 -5.424 -2.996) 7.074 15.286 ( 1.582 -9.669 -3.350) 10.354 15.429 ( -3.343 -21.207 -9.013) 23.284 16.008 ( 8.464 3.979 -0.111) 9.354 16.126 ( -1.969 2.346 -2.878) 4.203 16.631 ( -1.779 5.595 -3.439) 6.804 16.793 ( -0.776 -11.430 -13.821) 17.952 16.977 ( 0.826 -5.345 -0.285) 5.416 17.134 ( 0.498 -6.252 -4.394) 7.658 17.302 ( 4.612 -3.217 3.655) 6.707 17.352 ( -1.686 -5.942 1.035) 6.263 19.885 ( 3.803 -2.465 6.693) 8.083 20.160 ( -0.419 -2.306 -2.595) 3.497 20.817 ( -0.773 8.512 2.732) 8.973 21.000 ( -1.128 4.563 0.527) 4.730 21.978 ( -4.314 -6.292 2.829) 8.137 22.391 ( 2.900 -7.997 -2.238) 8.796 23.132 ( -3.283 6.471 1.789) 7.474 23.488 ( 0.669 3.314 -3.648) 4.974 27.058 ( 0.070 -10.347 0.633) 10.367 27.387 ( -9.081 -35.269 -17.307) 40.322 29.284 ( 1.486 13.120 2.487) 13.437 29.334 ( 0.978 10.181 0.520) 10.241 30.806 ( -1.355 -2.408 -1.421) 3.107 30.918 ( -9.703 -4.243 2.390) 10.857 30.935 ( -3.673 -4.486 -1.530) 5.996 31.356 ( 11.875 6.603 6.580) 15.097 31.671 ( -2.801 -4.398 -6.692) 8.484 31.724 ( 12.644 4.620 -3.544) 13.920 31.994 ( 1.568 6.947 1.987) 7.394 32.183 ( 21.560 -6.024 -3.726) 22.693 32.791 ( 2.125 -9.753 0.642) 10.003 33.195 ( 54.916 8.276 -9.317) 56.312 33.577 ( -2.717 2.331 -0.238) 3.588 34.008 ( 1.878 4.062 -7.277) 8.543 35.351 ( -0.939 -1.870 1.611) 2.641 35.487 ( 0.116 1.233 0.963) 1.569 35.605 ( -1.213 -1.026 2.848) 3.261 36.071 ( 1.641 -1.283 -3.785) 4.321 36.324 ( -1.648 -3.603 2.651) 4.767 36.509 ( -5.168 2.398 2.448) 6.201 37.413 ( -60.042 8.482 20.230) 63.923 38.427 ( 12.961 6.887 -2.015) 14.815 ======================= Grid point 71 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 6.877 -18.831 21.057) 29.074 1.829 ( -0.422 -23.837 13.414) 27.356 2.105 ( 20.112 -6.912 14.100) 25.516 2.268 ( 1.780 -11.211 -8.132) 13.964 2.747 ( -0.892 2.434 8.378) 8.770 2.853 ( 3.533 -5.306 2.813) 6.968 2.899 ( 8.517 -14.501 -1.456) 16.880 2.950 ( 8.683 -6.234 -4.788) 11.713 3.426 ( 0.600 5.757 -4.168) 7.133 3.472 ( 0.675 2.674 -3.310) 4.308 3.575 ( 3.115 4.627 -4.013) 6.871 3.646 ( 2.503 1.938 -0.222) 3.173 3.785 ( -1.047 6.255 -5.264) 8.242 4.016 ( -11.827 2.482 -0.165) 12.086 4.078 ( -0.039 -0.144 -0.731) 0.746 4.357 ( -2.930 -0.717 -4.639) 5.533 4.635 ( -12.889 3.986 5.927) 14.736 4.830 ( -2.589 -2.742 4.379) 5.779 4.873 ( -3.576 4.223 -5.262) 7.636 5.082 ( 3.110 3.380 -0.695) 4.645 5.271 ( -3.473 -1.095 -2.859) 4.630 5.339 ( 2.016 -1.361 -2.993) 3.857 5.483 ( -6.764 -9.384 -0.917) 11.603 5.688 ( 8.139 -8.719 0.578) 11.942 5.783 ( 3.262 3.584 0.822) 4.915 5.797 ( 0.967 4.852 -1.781) 5.258 6.109 ( 2.327 2.312 10.124) 10.642 6.354 ( -5.307 6.648 -3.908) 9.361 6.440 ( -0.990 -1.373 -2.044) 2.654 6.495 ( 0.317 1.283 -5.885) 6.031 7.806 ( -1.294 -0.143 0.798) 1.527 7.998 ( -0.950 -0.088 -0.429) 1.046 8.244 ( 6.514 4.160 9.305) 12.097 8.465 ( -4.677 2.967 -3.382) 6.489 8.893 ( -2.338 -0.722 1.064) 2.669 9.119 ( 4.811 -0.949 2.316) 5.423 9.218 ( -1.025 1.145 1.760) 2.336 9.353 ( 10.540 -3.721 -1.287) 11.251 9.418 ( -2.678 -2.133 -3.207) 4.691 9.490 ( 0.389 2.592 -2.521) 3.637 9.807 ( 4.027 -7.760 1.152) 8.818 10.024 ( -6.196 5.238 3.777) 8.949 10.115 ( 1.389 5.491 -0.982) 5.749 10.224 ( 0.827 3.394 -0.301) 3.506 10.511 ( -1.059 3.524 2.512) 4.456 10.755 ( 4.472 6.866 -0.861) 8.239 10.991 ( -5.979 0.778 0.792) 6.081 11.292 ( 2.118 -1.955 3.404) 4.461 11.402 ( -2.304 -0.620 4.098) 4.742 11.576 ( 9.444 4.752 -2.713) 10.915 11.629 ( 8.547 -0.746 1.519) 8.713 11.682 ( -1.130 1.670 -1.184) 2.338 12.179 ( -2.719 -6.793 1.355) 7.441 12.410 ( 0.768 3.062 3.388) 4.630 12.471 ( -0.401 4.996 -1.824) 5.334 12.597 ( -3.728 4.165 -4.975) 7.483 12.793 ( -4.787 5.823 -5.456) 9.305 12.841 ( 3.887 5.368 0.881) 6.686 13.292 ( -1.556 1.072 5.419) 5.739 13.515 ( -0.901 -1.122 -0.948) 1.723 13.594 ( 4.469 -3.396 0.537) 5.638 13.722 ( -3.554 -6.672 -7.063) 10.346 14.458 ( 10.063 4.231 8.057) 13.568 14.620 ( -0.951 -4.367 0.392) 4.486 14.931 ( -2.454 -8.228 2.057) 8.829 15.185 ( -2.957 -5.437 -3.085) 6.916 15.372 ( -5.078 -5.853 -5.574) 9.546 15.609 ( -4.872 -8.539 -7.475) 12.350 15.964 ( 3.897 4.836 4.395) 7.608 16.139 ( 4.268 -5.119 5.482) 8.630 16.468 ( -1.872 7.736 -3.289) 8.612 16.810 ( -6.015 -3.413 -12.867) 14.608 17.066 ( -0.854 -4.009 1.511) 4.369 17.193 ( -1.710 -4.184 -4.010) 6.042 17.403 ( 3.434 -2.716 1.800) 4.734 17.466 ( -0.785 -4.510 0.500) 4.605 19.996 ( 2.076 -3.493 5.628) 6.941 20.222 ( 1.067 -5.961 -4.867) 7.769 20.645 ( -1.700 10.648 3.081) 11.215 20.876 ( 1.016 8.805 -1.188) 8.943 22.143 ( -0.947 -11.953 2.395) 12.227 22.581 ( 2.803 -11.491 -2.481) 12.085 22.982 ( -4.083 7.917 2.082) 9.148 23.376 ( 1.304 7.488 -3.006) 8.174 27.332 ( 0.567 -18.510 2.493) 18.686 27.756 ( -11.091 -26.379 -16.161) 32.864 28.992 ( -2.219 19.900 0.255) 20.025 29.121 ( 7.119 16.812 3.027) 18.506 30.837 ( -1.609 -3.565 -1.384) 4.149 30.975 ( -5.439 -8.023 -1.094) 9.754 30.996 ( -8.106 -7.285 0.295) 10.903 31.419 ( 4.042 -1.292 6.335) 7.625 31.599 ( -3.546 5.012 -1.008) 6.221 31.735 ( 3.286 0.455 -4.243) 5.386 31.836 ( 3.457 8.244 -1.832) 9.125 32.442 ( 18.488 -6.030 -4.741) 20.016 33.015 ( 3.252 -11.313 0.810) 11.799 33.297 ( 26.509 10.152 -0.994) 28.404 33.499 ( -2.587 3.582 0.574) 4.456 33.878 ( 1.562 7.259 -7.239) 10.370 35.392 ( -1.228 -1.966 2.390) 3.329 35.489 ( -0.914 -1.095 1.602) 2.145 35.634 ( -2.164 -1.456 3.720) 4.543 36.081 ( 1.521 -0.001 -2.555) 2.973 36.353 ( -4.112 -0.262 2.446) 4.791 36.420 ( -9.134 3.398 8.162) 12.712 37.202 ( -24.015 -9.752 3.585) 26.166 38.341 ( 13.254 12.949 -1.013) 18.557 ======================= Grid point 72 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 4.701 -15.732 15.121) 22.322 2.108 ( -9.854 -7.780 -2.061) 12.724 2.295 ( 10.989 4.745 4.022) 12.627 2.459 ( 3.574 -9.566 -1.317) 10.296 2.686 ( -9.157 1.168 -1.723) 9.390 2.925 ( 2.659 -6.069 8.167) 10.517 3.120 ( 4.829 -4.286 -4.814) 8.054 3.244 ( 1.265 0.308 -5.625) 5.773 3.325 ( 0.298 6.458 -0.751) 6.508 3.443 ( 8.842 -6.262 -6.301) 12.534 3.597 ( 8.022 4.421 -5.012) 10.441 3.647 ( 8.305 -12.018 -2.649) 14.846 3.735 ( 4.096 -1.119 -2.350) 4.853 3.813 ( -10.209 5.745 4.286) 12.474 4.109 ( -2.407 -1.796 4.386) 5.316 4.341 ( 2.514 -0.923 -6.115) 6.675 4.462 ( -13.790 5.315 7.559) 16.599 4.780 ( 1.486 2.360 -2.801) 3.952 4.910 ( -1.996 -2.844 5.428) 6.444 5.038 ( 5.698 3.327 -1.622) 6.795 5.233 ( -1.790 -1.679 -3.721) 4.457 5.348 ( -2.145 3.524 0.299) 4.136 5.489 ( -3.537 0.119 -1.609) 3.888 5.662 ( -3.280 3.174 1.234) 4.728 5.810 ( 6.459 0.570 2.074) 6.808 5.874 ( -0.769 -2.070 -1.104) 2.469 6.143 ( 1.633 5.327 7.553) 9.385 6.204 ( -5.115 -0.762 -1.306) 5.334 6.374 ( -2.843 -1.326 -4.569) 5.542 6.540 ( 4.369 -2.749 -1.731) 5.444 7.832 ( 0.730 -0.069 1.256) 1.454 7.944 ( -5.257 0.295 -6.645) 8.478 8.275 ( 0.609 4.690 4.388) 6.451 8.379 ( 2.293 -0.584 3.466) 4.196 8.921 ( -1.760 -3.029 -0.714) 3.575 9.126 ( -2.375 4.346 -1.904) 5.305 9.174 ( 1.746 0.634 2.451) 3.076 9.419 ( 2.175 1.001 0.568) 2.461 9.436 ( 0.383 -3.424 -3.442) 4.870 9.537 ( 6.868 -2.450 0.852) 7.341 9.847 ( 2.709 7.799 -1.514) 8.394 9.887 ( -7.752 5.529 3.260) 10.064 10.107 ( 4.687 -7.481 0.888) 8.872 10.239 ( 0.486 -2.378 -3.373) 4.156 10.430 ( -3.191 4.780 0.838) 5.808 10.696 ( 5.391 4.421 1.390) 7.109 10.942 ( -3.114 1.576 2.587) 4.344 11.361 ( -0.030 -0.800 2.824) 2.936 11.400 ( -1.169 2.343 5.950) 6.501 11.526 ( 8.316 6.279 0.484) 10.431 11.643 ( -1.469 -0.538 -3.907) 4.208 11.786 ( 6.687 -7.895 -2.568) 10.660 12.287 ( -4.802 -3.590 -2.966) 6.689 12.321 ( 2.167 2.731 -0.105) 3.488 12.414 ( -3.463 -0.702 1.319) 3.771 12.527 ( -3.079 -1.735 -0.056) 3.535 12.615 ( -2.748 5.648 -4.315) 7.620 12.773 ( 5.051 7.992 1.631) 9.594 13.279 ( -0.478 2.368 4.250) 4.889 13.500 ( -2.497 -1.379 -3.159) 4.256 13.745 ( 5.364 -3.811 1.569) 6.765 13.788 ( -2.476 -8.992 -5.316) 10.735 14.447 ( 3.191 8.737 7.174) 11.747 14.659 ( -4.436 -2.194 -3.562) 6.098 15.038 ( -3.434 -6.758 0.652) 7.608 15.251 ( 0.099 -6.630 -0.313) 6.638 15.417 ( -0.829 -2.580 -2.247) 3.520 15.584 ( -0.028 3.646 -2.306) 4.314 16.008 ( -0.673 -4.899 3.694) 6.172 16.308 ( -0.130 5.626 3.704) 6.737 16.370 ( 4.617 -6.784 -0.279) 8.210 16.713 ( -5.099 -0.535 -10.104) 11.330 17.145 ( -0.386 -4.130 2.341) 4.763 17.217 ( -0.973 -1.973 -3.881) 4.461 17.463 ( 2.915 -0.126 1.463) 3.264 17.492 ( -2.997 -0.094 1.361) 3.293 20.106 ( 0.038 -5.313 2.899) 6.053 20.288 ( 2.774 0.210 -4.460) 5.257 20.489 ( -3.438 3.258 1.889) 5.100 20.709 ( 2.620 9.861 -1.925) 10.383 22.384 ( 0.315 -12.985 2.689) 13.264 22.796 ( 2.763 -9.242 -3.327) 10.204 22.821 ( -4.473 5.543 3.515) 7.943 23.219 ( 1.681 9.593 -2.187) 9.981 27.731 ( 0.950 -22.707 4.144) 23.101 28.015 ( -9.048 -20.767 -11.192) 25.266 28.571 ( -4.335 22.956 -1.442) 23.406 28.906 ( 12.365 17.626 4.334) 21.962 30.900 ( -3.220 -5.802 -0.056) 6.636 31.045 ( -7.113 -3.965 1.816) 8.344 31.098 ( -0.774 -9.121 -3.097) 9.664 31.449 ( -0.242 5.445 1.698) 5.709 31.532 ( 0.162 -1.022 4.089) 4.218 31.618 ( 0.902 8.760 0.543) 8.824 31.819 ( -0.978 -4.830 -11.098) 12.143 32.615 ( 17.464 -0.289 -4.982) 18.163 33.180 ( 3.405 0.206 1.284) 3.645 33.305 ( 5.307 -0.041 0.596) 5.340 33.450 ( 0.445 0.356 2.410) 2.476 33.705 ( 0.583 8.149 -6.120) 10.208 35.419 ( -1.988 -0.785 2.759) 3.490 35.520 ( -0.911 -1.721 1.406) 2.402 35.660 ( -3.556 -0.984 5.300) 6.458 36.064 ( 1.393 1.220 -3.183) 3.683 36.300 ( -3.856 1.861 1.101) 4.421 36.391 ( -7.229 -0.182 11.308) 13.423 37.309 ( -9.161 -14.649 -4.421) 17.834 38.176 ( 11.099 14.492 -1.371) 18.305 ======================= Grid point 73 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -10.818 13.015 -7.180) 18.384 2.137 ( -6.342 10.656 -5.306) 13.487 2.330 ( 5.804 -4.706 6.280) 9.761 2.463 ( -0.929 8.096 -7.309) 10.946 2.712 ( -5.001 -7.654 4.066) 10.006 2.910 ( 4.701 17.658 -0.787) 18.290 3.160 ( -0.067 -8.970 2.290) 9.258 3.239 ( 3.861 -7.206 -2.035) 8.425 3.379 ( -2.943 -5.594 -5.793) 8.574 3.434 ( 1.803 10.003 -6.168) 11.890 3.553 ( 1.941 -0.005 1.664) 2.557 3.741 ( -0.257 -0.527 -2.452) 2.521 3.763 ( 9.753 -3.445 -0.759) 10.371 3.980 ( 0.325 -7.545 2.234) 7.876 4.122 ( -6.333 2.348 9.839) 11.934 4.305 ( 2.369 3.196 -6.448) 7.576 4.416 ( -2.922 -3.597 7.908) 9.166 4.777 ( 4.877 -0.180 -0.168) 4.884 4.901 ( 0.702 4.228 -4.190) 5.993 5.111 ( 4.031 -8.126 -0.985) 9.124 5.182 ( -3.237 2.884 0.963) 4.442 5.328 ( -2.332 -6.033 2.238) 6.844 5.479 ( 6.309 2.138 0.019) 6.662 5.623 ( -4.251 -0.256 1.792) 4.620 5.804 ( 0.523 2.279 -2.151) 3.177 5.833 ( -5.633 2.074 1.995) 6.326 6.041 ( -2.110 5.220 -0.505) 5.653 6.248 ( -2.332 -5.004 2.496) 6.059 6.442 ( 7.465 -1.605 1.122) 7.717 6.616 ( 3.071 -3.265 0.844) 4.561 7.775 ( -4.261 1.943 -4.841) 6.736 7.882 ( -4.015 -0.547 -3.604) 5.423 8.190 ( -4.306 2.054 -1.911) 5.139 8.503 ( 9.596 0.489 8.458) 12.801 8.918 ( 0.918 1.142 -2.761) 3.125 9.062 ( -2.149 -1.469 -0.219) 2.613 9.175 ( 0.819 2.371 2.700) 3.686 9.392 ( -1.229 0.885 -0.040) 1.515 9.530 ( 4.642 -3.151 -3.585) 6.658 9.566 ( -3.505 -0.046 -1.413) 3.779 9.762 ( -0.016 2.865 1.374) 3.177 9.793 ( 3.594 2.305 4.434) 6.155 10.233 ( -4.252 -6.363 -7.846) 10.960 10.253 ( -3.855 2.521 -0.085) 4.607 10.375 ( 3.721 -2.083 3.787) 5.703 10.663 ( 2.219 4.060 0.358) 4.641 10.924 ( -2.611 -0.604 2.878) 3.932 11.313 ( 0.807 6.407 1.748) 6.690 11.378 ( 0.182 2.153 3.061) 3.746 11.511 ( 0.563 -0.332 -0.727) 0.978 11.621 ( -1.258 -0.404 -3.670) 3.901 11.940 ( 2.464 -4.376 -0.178) 5.025 12.249 ( -2.767 -3.372 -2.164) 4.869 12.280 ( -3.635 4.205 -1.227) 5.692 12.479 ( 5.985 -1.844 -0.432) 6.278 12.545 ( -0.636 -5.560 1.925) 5.918 12.626 ( 3.800 9.913 1.058) 10.669 12.663 ( 0.198 -7.007 1.329) 7.135 13.249 ( -1.189 2.710 3.077) 4.269 13.511 ( 0.600 -2.283 -2.349) 3.330 13.797 ( 0.259 1.058 0.363) 1.148 13.881 ( -6.929 -7.154 -6.121) 11.690 14.295 ( -2.331 8.797 2.184) 9.359 14.651 ( 1.035 -0.480 -2.355) 2.617 15.121 ( -1.010 -1.766 3.454) 4.008 15.336 ( -1.439 -1.382 -2.886) 3.508 15.477 ( 1.372 -5.638 1.750) 6.061 15.533 ( 4.009 1.167 3.036) 5.163 16.096 ( -2.698 -1.885 0.750) 3.376 16.206 ( 0.272 6.929 2.648) 7.422 16.360 ( -6.095 2.069 -6.857) 9.405 16.808 ( 8.795 -9.115 0.929) 12.700 17.203 ( 1.137 1.508 -2.672) 3.272 17.220 ( -0.559 -3.275 0.866) 3.434 17.452 ( -4.037 0.836 -0.555) 4.160 17.478 ( 2.097 2.437 2.650) 4.167 20.160 ( 1.513 9.891 -0.940) 10.050 20.224 ( 0.092 -5.820 -1.097) 5.923 20.535 ( 1.165 -1.358 -0.082) 1.792 20.571 ( 0.845 0.945 -2.408) 2.721 22.591 ( -1.599 -1.049 2.697) 3.306 22.679 ( -1.087 -0.480 3.672) 3.859 23.012 ( 1.749 -8.678 -1.523) 8.982 23.039 ( 0.691 7.524 -2.324) 7.905 28.041 ( -1.477 13.653 -0.258) 13.735 28.233 ( -0.238 -16.771 3.794) 17.197 28.274 ( -7.156 -15.214 -6.498) 18.025 28.740 ( 16.641 15.597 2.785) 22.977 30.965 ( -4.766 -2.883 0.260) 5.576 31.052 ( -1.015 -0.350 2.942) 3.132 31.230 ( -0.057 -4.811 -1.168) 4.951 31.343 ( 0.309 3.839 -1.455) 4.117 31.505 ( -0.287 3.953 -0.373) 3.981 31.582 ( -0.119 -0.493 5.671) 5.693 31.813 ( -6.862 -5.892 -14.362) 16.972 32.641 ( 14.328 7.630 -6.998) 17.677 33.115 ( -1.952 6.213 1.403) 6.662 33.340 ( 1.104 -1.509 -1.413) 2.344 33.443 ( 1.047 8.429 2.103) 8.750 33.648 ( 0.287 -8.089 -2.420) 8.448 35.420 ( -2.383 0.412 2.603) 3.553 35.537 ( -0.698 -0.040 0.691) 0.983 35.668 ( -4.619 0.398 6.686) 8.136 36.034 ( 2.397 1.259 -3.832) 4.692 36.279 ( -0.244 -0.626 1.657) 1.789 36.416 ( -7.103 -1.537 10.895) 13.096 37.473 ( -1.586 -9.059 -3.257) 9.756 38.024 ( 5.989 6.732 -3.374) 9.621 ======================= Grid point 74 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -15.612 18.440 -2.922) 24.338 1.741 ( -11.064 21.043 -4.289) 24.158 2.269 ( -2.605 3.980 -4.023) 6.230 2.409 ( 11.097 7.307 2.732) 13.565 2.637 ( 6.592 13.461 -1.345) 15.048 2.806 ( 0.852 2.039 4.639) 5.138 3.113 ( -13.743 18.611 -9.302) 24.935 3.139 ( -4.304 7.728 -4.749) 10.040 3.381 ( -3.667 -6.020 -1.967) 7.318 3.460 ( 2.585 -8.225 -0.668) 8.647 3.631 ( 3.033 -6.637 -0.029) 7.297 3.743 ( 1.868 -0.598 -1.421) 2.421 3.824 ( -3.028 4.215 2.355) 5.699 4.036 ( 2.973 -2.474 -4.535) 5.961 4.079 ( -5.549 2.231 8.635) 10.504 4.303 ( 7.421 -5.530 -0.274) 9.259 4.581 ( 3.304 -6.582 7.904) 10.803 4.785 ( 0.018 3.124 -3.326) 4.563 4.880 ( 7.273 -3.428 -1.775) 8.234 5.154 ( -1.598 -2.585 3.783) 4.853 5.262 ( 4.122 -2.750 -2.244) 5.439 5.461 ( -7.014 -8.520 -5.840) 12.485 5.548 ( 4.206 4.919 4.288) 7.764 5.590 ( 3.782 -6.058 1.746) 7.352 5.727 ( 0.065 6.834 0.137) 6.835 5.792 ( -8.180 -2.789 -1.402) 8.756 5.942 ( -0.743 3.528 3.476) 5.008 6.360 ( 0.898 -5.802 0.956) 5.948 6.476 ( 2.231 1.752 -0.225) 2.846 6.713 ( 4.358 -2.257 2.182) 5.371 7.707 ( -4.066 0.113 -4.048) 5.739 7.868 ( 0.809 -2.160 1.273) 2.634 8.122 ( -4.865 -0.224 -3.338) 5.904 8.502 ( 4.897 6.486 -1.206) 8.216 8.952 ( 2.097 -0.033 5.657) 6.033 9.095 ( 0.694 -2.230 -1.015) 2.547 9.145 ( -1.216 1.087 2.545) 3.023 9.360 ( -3.893 1.029 -3.034) 5.042 9.471 ( -6.891 1.294 -0.059) 7.012 9.611 ( 1.663 -2.767 0.044) 3.229 9.725 ( 6.335 1.363 -2.096) 6.810 9.923 ( 4.144 -4.825 2.818) 6.957 10.139 ( -0.924 4.829 4.400) 6.598 10.239 ( -6.709 -2.385 -4.527) 8.437 10.448 ( -3.177 0.679 -0.427) 3.277 10.630 ( 1.386 -3.932 -2.104) 4.670 10.964 ( -2.288 -4.322 2.775) 5.623 11.235 ( 2.187 4.265 3.366) 5.857 11.380 ( 1.956 -0.141 1.577) 2.516 11.518 ( -4.209 -2.099 0.053) 4.704 11.591 ( -1.301 0.299 -3.550) 3.792 11.922 ( -5.301 3.887 0.549) 6.597 12.234 ( 0.554 -0.891 -3.445) 3.601 12.324 ( -0.088 -5.673 0.003) 5.674 12.407 ( 2.302 12.772 0.953) 13.013 12.578 ( 5.175 -5.398 -3.046) 8.075 12.697 ( 1.283 -5.966 2.435) 6.570 12.862 ( 2.396 -9.511 2.416) 10.102 13.203 ( -1.947 2.233 3.172) 4.340 13.545 ( 2.827 -0.617 -1.703) 3.358 13.668 ( -5.015 7.344 -2.308) 9.187 13.947 ( -3.850 -6.757 -1.265) 7.879 14.158 ( -5.685 3.734 -2.431) 7.223 14.632 ( 1.361 2.650 -1.398) 3.290 15.066 ( -3.108 7.045 1.521) 7.849 15.417 ( 6.625 -3.774 3.990) 8.605 15.455 ( 3.827 3.456 -0.597) 5.191 15.708 ( -0.198 -6.552 1.457) 6.714 15.952 ( -6.472 7.489 -3.620) 10.539 16.078 ( -0.435 7.488 2.067) 7.781 16.376 ( -1.776 -8.115 -1.015) 8.369 17.038 ( 10.705 -5.057 1.802) 11.976 17.158 ( 4.787 4.313 -0.865) 6.502 17.257 ( -0.275 -1.992 -3.360) 3.916 17.393 ( -4.879 0.803 -2.625) 5.598 17.449 ( 1.838 4.608 3.973) 6.356 19.984 ( 1.062 9.610 -0.300) 9.673 20.281 ( 6.208 1.832 -7.476) 9.889 20.502 ( -1.038 -2.216 3.930) 4.630 20.707 ( 0.056 -9.942 -1.889) 10.120 22.430 ( -5.891 10.069 3.522) 12.186 22.768 ( 2.741 7.272 -2.264) 8.095 22.917 ( -0.527 -4.425 4.298) 6.192 23.222 ( 1.999 -10.971 -2.056) 11.340 27.645 ( -1.376 21.468 -0.252) 21.513 28.497 ( 8.191 -5.338 4.185) 10.635 28.639 ( 5.104 -8.804 1.209) 10.248 28.663 ( 5.578 -11.015 -5.372) 13.465 30.902 ( -4.238 4.698 -1.375) 6.475 31.077 ( 1.249 1.960 3.267) 4.009 31.163 ( 0.362 7.315 0.931) 7.383 31.326 ( -5.935 0.457 -5.546) 8.136 31.513 ( 2.191 -5.368 0.800) 5.853 31.626 ( -1.407 -2.852 4.398) 5.427 31.776 ( -6.788 -5.174 -13.609) 16.064 32.501 ( 8.864 11.783 -10.692) 18.213 32.960 ( -3.401 8.918 0.087) 9.545 33.233 ( 0.399 11.392 -1.151) 11.457 33.435 ( -0.002 -4.420 3.161) 5.435 33.820 ( 1.289 -9.919 -2.596) 10.334 35.401 ( -2.227 1.249 2.531) 3.596 35.520 ( -0.403 1.537 0.027) 1.589 35.649 ( -4.139 1.857 6.204) 7.686 36.020 ( 3.167 0.458 -2.918) 4.331 36.332 ( 1.665 -2.873 2.920) 4.421 36.447 ( -6.918 -1.325 8.679) 11.178 37.537 ( 1.425 1.598 6.546) 6.887 38.039 ( 0.418 -8.643 -7.892) 11.712 ======================= Grid point 75 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -13.802 18.695 7.750) 24.496 1.233 ( -14.282 23.501 7.074) 28.396 2.078 ( -8.415 41.050 5.675) 42.286 2.242 ( 0.325 0.602 3.821) 3.882 2.509 ( 9.904 5.540 -3.029) 11.745 2.664 ( 0.574 0.917 -1.763) 2.069 2.822 ( -8.304 16.179 -1.045) 18.215 2.934 ( -1.960 -7.620 -4.158) 8.900 3.457 ( 0.009 -4.719 -4.601) 6.591 3.542 ( -4.969 -3.198 -0.383) 5.921 3.679 ( -3.405 2.925 -0.437) 4.510 3.749 ( 6.688 -3.150 -6.734) 10.000 3.846 ( 4.927 -2.818 0.551) 5.703 4.058 ( -1.189 1.320 6.402) 6.644 4.086 ( 4.958 -3.496 -6.892) 9.182 4.515 ( 7.255 -5.691 0.780) 9.253 4.685 ( -0.000 6.214 7.503) 9.742 4.756 ( -0.210 -8.144 -0.507) 8.162 5.002 ( 5.748 -4.204 -4.190) 8.262 5.182 ( -0.224 8.906 2.977) 9.394 5.289 ( 3.290 -3.562 -3.026) 5.716 5.434 ( -3.374 3.470 -2.606) 5.497 5.503 ( 3.361 3.099 3.785) 5.935 5.603 ( -7.892 0.137 -1.271) 7.995 5.755 ( 2.495 -0.151 3.898) 4.631 5.797 ( -0.346 -8.732 -1.036) 8.800 5.970 ( -4.989 -3.788 2.026) 6.584 6.401 ( 1.436 2.365 -3.240) 4.261 6.498 ( -1.375 -4.889 1.490) 5.293 6.750 ( 0.852 0.637 -2.285) 2.520 7.655 ( -2.363 0.485 0.580) 2.481 8.014 ( 5.799 -7.331 6.005) 11.110 8.090 ( -4.536 -2.197 -2.078) 5.452 8.436 ( 6.307 3.917 -0.808) 7.469 8.920 ( -10.925 0.598 0.534) 10.954 9.064 ( -2.885 1.463 -0.427) 3.263 9.206 ( 2.455 1.554 3.835) 4.811 9.261 ( 1.392 3.573 -0.673) 3.893 9.440 ( -5.687 -1.458 1.291) 6.011 9.664 ( -2.263 -3.545 -2.400) 4.843 9.769 ( 2.456 -1.889 -2.852) 4.211 9.903 ( 4.955 7.507 0.127) 8.996 10.107 ( -3.858 4.508 -0.954) 6.010 10.268 ( 2.086 -5.228 8.127) 9.886 10.396 ( -5.437 -2.868 -1.009) 6.229 10.782 ( 2.697 -9.923 -1.906) 10.458 11.079 ( -1.515 -8.227 2.735) 8.802 11.236 ( 0.703 -0.378 4.750) 4.817 11.413 ( 1.993 -0.359 0.008) 2.025 11.515 ( -8.372 -2.571 0.825) 8.797 11.568 ( 1.178 -0.521 -3.509) 3.738 11.802 ( -5.649 4.054 -0.344) 6.962 12.162 ( 2.836 8.182 -0.592) 8.679 12.308 ( -1.964 -1.409 0.734) 2.526 12.424 ( 0.554 -4.800 -0.248) 4.838 12.685 ( 3.640 -0.742 -2.592) 4.530 12.768 ( -0.224 -3.658 -2.338) 4.347 12.990 ( 2.244 -2.753 -2.818) 4.534 13.231 ( -1.117 -2.538 7.745) 8.227 13.530 ( -2.319 0.659 -0.478) 2.458 13.554 ( 2.831 2.185 -3.067) 4.711 13.962 ( 2.447 8.004 2.580) 8.758 14.096 ( -10.366 -9.484 -5.832) 15.212 14.584 ( 0.410 2.303 -0.037) 2.340 14.902 ( -3.381 8.430 1.511) 9.208 15.351 ( 6.485 9.809 2.390) 11.999 15.480 ( -4.701 10.377 -4.138) 12.120 15.671 ( 7.609 1.883 1.372) 7.958 15.854 ( -1.036 0.766 -3.683) 3.901 16.102 ( -3.181 -8.702 3.156) 9.788 16.529 ( 0.372 -9.260 -0.676) 9.292 17.052 ( 1.795 5.360 -1.947) 5.979 17.186 ( 8.633 2.760 -0.056) 9.064 17.257 ( 6.811 0.851 -8.870) 11.215 17.304 ( 0.581 5.634 -6.888) 8.918 17.398 ( -0.972 3.914 5.420) 6.756 19.845 ( 1.461 6.821 0.783) 7.020 20.206 ( 7.820 6.109 -6.492) 11.858 20.626 ( -2.229 -9.070 3.233) 9.883 20.873 ( 0.719 -8.831 -0.840) 8.900 22.226 ( -8.442 8.294 3.993) 12.490 22.567 ( 1.216 11.571 -2.878) 11.986 23.073 ( 0.154 -7.054 3.637) 7.938 23.407 ( 2.508 -8.818 -2.338) 9.461 27.294 ( -0.387 16.815 0.342) 16.823 28.468 ( 33.373 22.011 -12.405) 41.858 28.848 ( -2.263 -19.048 -1.159) 19.217 29.038 ( -2.023 -19.630 1.964) 19.831 30.711 ( -8.156 9.513 -6.167) 13.966 31.012 ( 0.941 5.434 -1.179) 5.640 31.058 ( 1.267 6.229 2.107) 6.697 31.173 ( -9.411 6.498 -1.879) 11.589 31.667 ( 3.362 -7.686 1.726) 8.565 31.683 ( 0.159 -0.949 -6.099) 6.174 31.797 ( -3.086 -9.284 -1.049) 9.840 32.249 ( 7.262 15.296 -15.747) 23.123 32.768 ( -2.071 10.041 2.132) 10.472 33.018 ( -0.726 12.299 1.460) 12.406 33.534 ( 0.276 -4.440 1.416) 4.668 33.968 ( 1.406 -7.452 -4.125) 8.632 35.374 ( -1.694 1.496 2.376) 3.280 35.487 ( -0.331 1.445 0.057) 1.483 35.616 ( -2.652 2.157 4.624) 5.750 36.034 ( 3.233 -0.556 -1.499) 3.606 36.414 ( -2.721 -0.184 7.069) 7.577 36.444 ( 0.142 -1.038 0.309) 1.092 37.619 ( -10.548 -9.182 21.942) 26.019 38.189 ( 1.658 -11.200 -8.991) 14.458 ======================= Grid point 76 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -2.205 21.511 16.555) 27.234 0.891 ( -7.421 18.182 29.616) 35.536 1.188 ( -17.302 42.891 15.772) 48.865 2.230 ( 0.551 5.044 12.303) 13.308 2.369 ( -4.209 11.770 -6.417) 14.051 2.665 ( 3.205 -3.845 -2.655) 5.666 2.811 ( 0.063 -11.149 2.998) 11.545 3.110 ( 3.114 -11.428 -4.671) 12.732 3.507 ( 6.525 -1.702 -3.939) 7.809 3.536 ( -2.360 -1.359 1.625) 3.171 3.641 ( -1.284 -0.131 -1.556) 2.022 3.752 ( 2.577 1.942 -8.627) 9.211 3.907 ( 6.010 0.559 -1.144) 6.144 4.077 ( 1.435 0.000 4.586) 4.805 4.156 ( 4.675 -3.563 -8.754) 10.545 4.510 ( 1.914 7.441 -4.326) 8.817 4.641 ( -0.544 4.498 10.149) 11.115 4.869 ( -7.390 4.458 -0.819) 8.669 4.934 ( 4.415 0.568 1.432) 4.676 5.102 ( -3.451 -0.282 -6.994) 7.804 5.290 ( -4.882 0.741 3.361) 5.973 5.350 ( 0.681 -1.365 -5.183) 5.403 5.488 ( -1.797 0.320 1.685) 2.485 5.687 ( -0.575 -8.292 0.474) 8.325 5.843 ( 7.842 -0.979 3.882) 8.805 5.900 ( -2.875 -4.516 1.560) 5.577 5.940 ( -9.409 0.183 -4.887) 10.604 6.351 ( 1.758 1.984 -1.115) 2.876 6.577 ( -2.009 -4.400 -0.638) 4.879 6.700 ( -2.573 0.955 -5.201) 5.881 7.686 ( 3.640 -0.253 8.189) 8.965 8.118 ( -5.573 -8.924 -1.451) 10.621 8.249 ( 5.777 -8.050 8.754) 13.222 8.436 ( 5.259 2.770 1.128) 6.050 8.852 ( -12.246 -4.219 1.293) 13.017 9.024 ( -1.996 2.769 2.054) 3.983 9.134 ( 1.930 4.250 -0.791) 4.734 9.221 ( -0.185 3.850 -1.907) 4.300 9.446 ( -3.685 -1.621 4.089) 5.738 9.660 ( -4.764 0.179 -6.530) 8.085 9.719 ( 0.968 1.446 -5.091) 5.380 9.876 ( 3.907 2.509 3.693) 5.933 10.092 ( 4.509 -3.884 9.543) 11.247 10.358 ( 3.860 0.106 1.406) 4.109 10.478 ( -3.787 -5.556 7.939) 10.403 10.954 ( -1.781 -10.060 -6.027) 11.862 11.201 ( -5.208 -4.124 1.130) 6.738 11.299 ( -4.137 -4.091 -0.221) 5.822 11.402 ( 4.359 3.275 0.568) 5.482 11.492 ( -9.274 -2.656 3.380) 10.222 11.595 ( -0.761 -4.527 -2.919) 5.440 11.706 ( -3.521 1.738 -0.313) 3.939 12.101 ( 1.912 1.244 1.497) 2.729 12.358 ( -1.093 -4.551 5.018) 6.862 12.491 ( 1.987 -2.248 -0.913) 3.136 12.638 ( 4.185 1.276 1.335) 4.575 12.873 ( 3.734 -5.386 -2.018) 6.857 12.998 ( 3.431 1.775 -3.173) 4.999 13.269 ( -4.719 -0.109 7.250) 8.651 13.511 ( 2.442 2.870 -1.387) 4.015 13.580 ( -0.416 -5.907 -2.857) 6.575 13.811 ( -2.839 7.021 -3.741) 8.447 14.204 ( 1.609 -7.155 1.660) 7.519 14.571 ( 0.048 -0.661 -0.030) 0.663 14.746 ( -1.427 8.391 3.097) 9.058 15.203 ( -2.922 10.574 -2.386) 11.227 15.234 ( 3.525 8.063 -0.681) 8.826 15.602 ( -4.092 9.856 -3.065) 11.103 15.801 ( 22.262 18.392 -18.687) 34.396 16.232 ( -4.332 -6.882 1.522) 8.274 16.674 ( 0.481 -6.128 -1.383) 6.300 16.930 ( 8.929 15.759 -16.944) 24.803 17.002 ( 6.346 16.520 -12.742) 21.807 17.143 ( 3.047 4.887 -3.008) 6.497 17.224 ( 0.800 3.798 0.848) 3.973 17.360 ( -3.496 1.941 4.979) 6.386 19.777 ( 2.758 3.766 2.839) 5.463 20.162 ( 3.149 0.435 -0.963) 3.321 20.796 ( -0.460 -8.432 2.426) 8.786 21.011 ( -0.442 -6.357 0.621) 6.402 22.074 ( -12.146 1.646 3.035) 12.627 22.382 ( 1.670 8.017 -2.568) 8.582 23.178 ( -2.673 -4.072 1.463) 5.086 23.522 ( 1.788 -3.281 -4.349) 5.734 27.054 ( -0.094 9.658 0.205) 9.661 27.881 ( 11.695 52.727 -50.772) 74.126 29.213 ( 7.015 -15.781 5.172) 18.028 29.322 ( -1.474 -11.827 1.429) 12.004 30.502 ( 22.712 8.798 12.242) 27.260 30.920 ( 0.417 6.302 0.922) 6.383 30.972 ( 1.416 4.709 -2.862) 5.690 30.993 ( -3.491 5.827 6.099) 9.129 31.628 ( 2.959 3.416 -6.038) 7.542 31.834 ( -2.910 -6.177 -0.336) 6.836 31.901 ( 10.172 17.880 -6.689) 21.631 31.988 ( 1.639 -9.274 0.661) 9.441 32.643 ( 7.513 6.761 5.720) 11.614 32.814 ( 0.453 10.908 2.091) 11.116 33.601 ( -0.376 -2.358 0.341) 2.412 34.056 ( 1.458 -4.037 -5.506) 6.981 35.349 ( -1.253 1.370 1.745) 2.548 35.477 ( 0.154 -0.562 0.222) 0.623 35.591 ( -1.410 1.278 3.375) 3.874 36.069 ( 2.444 -1.520 -1.601) 3.293 36.328 ( -0.295 6.867 -0.025) 6.873 36.517 ( 0.549 -2.464 2.554) 3.591 38.030 ( -37.916 -40.435 25.995) 61.224 38.340 ( 4.113 -7.911 -6.831) 11.232 ======================= Grid point 78 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 20.346 -0.000 20.801) 29.097 1.163 ( 14.121 -0.000 26.712) 30.215 1.900 ( 28.283 -0.000 27.565) 39.493 2.058 ( 4.876 -0.000 -8.402) 9.714 2.444 ( 15.187 -0.000 -7.062) 16.749 2.905 ( 2.070 -0.000 12.798) 12.964 2.954 ( -2.899 0.000 3.262) 4.364 3.069 ( 0.567 -0.000 -9.639) 9.655 3.517 ( -8.167 0.000 -1.607) 8.323 3.546 ( -9.552 0.000 -4.133) 10.408 3.667 ( 3.495 -0.000 4.185) 5.453 3.688 ( 2.005 -0.000 0.994) 2.238 3.871 ( -4.573 0.000 -1.108) 4.705 3.894 ( -6.906 0.000 -15.194) 16.690 4.137 ( -1.517 0.000 1.787) 2.344 4.333 ( -2.163 0.000 -5.404) 5.821 4.641 ( -13.064 0.000 8.910) 15.813 4.840 ( 1.178 -0.000 0.856) 1.457 4.913 ( 1.268 -0.000 5.002) 5.160 5.010 ( 1.201 -0.000 -1.143) 1.658 5.182 ( 1.108 -0.000 2.216) 2.478 5.312 ( -18.371 0.000 -5.321) 19.126 5.341 ( 10.954 -0.000 -4.345) 11.784 5.429 ( 3.933 -0.000 -2.600) 4.715 5.887 ( 4.529 -0.000 -1.994) 4.948 5.946 ( 0.984 -0.000 -5.322) 5.412 6.148 ( 2.121 -0.000 6.968) 7.284 6.396 ( 4.830 -0.000 -0.868) 4.908 6.505 ( -6.466 0.000 -2.596) 6.968 6.580 ( 0.792 -0.000 -0.797) 1.124 7.878 ( -10.845 0.000 -3.058) 11.268 7.966 ( 1.666 -0.000 3.247) 3.649 8.349 ( 3.147 -0.000 5.706) 6.516 8.529 ( -1.777 0.000 0.453) 1.834 8.931 ( -0.079 0.000 -1.390) 1.392 9.089 ( 12.817 -0.000 5.827) 14.080 9.188 ( 5.157 -0.000 -6.046) 7.947 9.272 ( 5.516 -0.000 4.499) 7.118 9.415 ( -6.877 0.000 -6.461) 9.436 9.528 ( 0.951 -0.000 -3.455) 3.584 9.628 ( 3.877 -0.000 4.068) 5.620 10.052 ( -4.174 0.000 -0.859) 4.262 10.258 ( 0.812 -0.000 3.524) 3.616 10.352 ( -3.354 0.000 1.186) 3.557 10.651 ( 0.136 -0.000 5.582) 5.584 10.925 ( -7.111 0.000 -3.940) 8.129 10.949 ( 8.868 -0.000 -5.681) 10.532 11.280 ( 2.575 -0.000 0.159) 2.579 11.323 ( -5.982 0.000 -3.042) 6.711 11.575 ( 2.775 -0.000 -3.017) 4.099 11.755 ( 1.309 -0.000 3.704) 3.928 11.831 ( 16.019 -0.000 3.517) 16.401 12.228 ( -1.603 0.000 6.059) 6.268 12.524 ( -3.125 0.000 -2.366) 3.919 12.566 ( -7.421 0.000 -0.639) 7.448 12.659 ( 5.928 -0.000 3.221) 6.747 12.933 ( 1.484 -0.000 -0.060) 1.485 12.991 ( 2.917 -0.000 -7.389) 7.944 13.356 ( -6.941 0.000 2.468) 7.367 13.407 ( 0.750 -0.000 -2.496) 2.606 13.565 ( -2.637 0.000 -4.875) 5.542 13.583 ( 1.028 -0.000 -1.356) 1.702 14.555 ( 0.733 -0.000 -1.762) 1.909 14.563 ( -1.758 0.000 -1.875) 2.571 14.760 ( -4.267 0.000 2.877) 5.147 14.984 ( 4.640 -0.000 -1.253) 4.806 15.083 ( -6.345 0.000 -7.108) 9.528 15.205 ( 5.427 -0.000 -1.028) 5.523 15.999 ( -12.024 0.000 -0.058) 12.025 16.232 ( 20.668 -0.000 -1.848) 20.751 16.643 ( 0.200 -0.000 -2.902) 2.908 16.652 ( -1.236 0.000 -2.849) 3.105 16.946 ( -1.156 0.000 0.847) 1.433 17.038 ( 0.512 -0.000 -3.422) 3.460 17.273 ( -4.225 0.000 0.907) 4.321 17.346 ( 6.952 -0.000 4.529) 8.297 19.942 ( 4.681 -0.000 8.294) 9.524 20.110 ( -3.056 0.000 -2.725) 4.094 20.915 ( 0.087 -0.000 2.365) 2.367 21.023 ( -2.732 0.000 1.686) 3.211 21.908 ( -2.352 0.000 1.916) 3.033 22.328 ( 3.373 -0.000 -1.799) 3.823 23.213 ( -0.309 0.000 1.677) 1.706 23.502 ( 1.152 -0.000 -2.540) 2.789 26.969 ( -0.115 0.000 0.170) 0.205 26.976 ( -0.041 0.000 0.026) 0.048 29.427 ( 0.579 -0.000 0.288) 0.647 29.451 ( 4.317 -0.000 2.787) 5.138 30.699 ( -13.821 0.000 1.959) 13.959 30.817 ( -6.138 0.000 -2.974) 6.820 30.860 ( -2.973 0.000 -3.530) 4.615 31.450 ( -2.463 0.000 0.081) 2.464 31.536 ( -6.202 0.000 -4.974) 7.950 31.936 ( 15.066 -0.000 -3.965) 15.579 32.058 ( 4.972 -0.000 4.559) 6.746 32.259 ( 9.783 -0.000 0.356) 9.790 32.696 ( 1.783 -0.000 -0.291) 1.807 33.571 ( -3.780 0.000 -0.080) 3.780 33.734 ( 74.938 -0.000 -38.774) 84.375 34.020 ( 3.004 -0.000 -8.523) 9.037 35.331 ( -1.182 0.000 1.297) 1.755 35.519 ( 1.942 -0.000 -0.931) 2.153 35.604 ( -0.825 0.000 2.593) 2.721 36.018 ( 0.162 -0.000 -5.736) 5.738 36.306 ( -1.338 0.000 5.976) 6.124 36.493 ( -5.667 0.000 -0.047) 5.667 37.093 ( -70.267 0.000 31.548) 77.024 38.599 ( 15.052 -0.000 0.941) 15.081 ======================= Grid point 79 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 8.731 -13.082 19.687) 25.199 1.558 ( 13.475 -16.307 18.995) 28.431 2.078 ( 5.949 -7.045 -12.457) 15.498 2.305 ( 24.606 -2.436 16.214) 29.568 2.627 ( 14.696 -11.974 -5.252) 19.671 2.843 ( -1.716 4.226 -0.451) 4.584 2.908 ( -0.592 5.943 5.925) 8.413 3.035 ( 5.376 3.292 -4.036) 7.485 3.434 ( -4.373 0.493 -3.373) 5.545 3.489 ( -8.015 -1.754 3.424) 8.891 3.640 ( 1.400 2.484 -7.553) 8.074 3.696 ( -1.903 4.214 -1.498) 4.860 3.799 ( 0.846 -1.797 -6.056) 6.373 3.849 ( -8.560 -4.060 -1.178) 9.547 4.128 ( -1.974 1.851 4.195) 4.992 4.290 ( -2.330 -1.299 -6.711) 7.222 4.574 ( -18.368 -0.664 7.255) 19.760 4.839 ( -2.825 2.509 2.081) 4.313 4.871 ( 0.123 2.076 1.074) 2.340 5.072 ( -7.910 -2.497 -1.159) 8.376 5.173 ( -5.617 -3.515 -3.850) 7.663 5.302 ( 5.992 -4.317 3.620) 8.224 5.419 ( 12.031 1.172 1.089) 12.137 5.567 ( 10.490 -10.340 -0.441) 14.736 5.865 ( -0.475 2.491 -1.553) 2.973 5.876 ( 0.912 4.223 -5.436) 6.944 6.179 ( -0.283 0.702 3.693) 3.770 6.392 ( -5.670 4.551 -3.533) 8.083 6.444 ( 3.989 0.585 -0.305) 4.043 6.545 ( 1.501 4.031 0.143) 4.304 7.803 ( -1.722 0.215 1.570) 2.340 7.984 ( -0.254 0.280 -0.819) 0.902 8.404 ( 5.047 1.865 8.855) 10.362 8.467 ( -5.582 3.565 -3.915) 7.694 8.885 ( -1.405 2.012 -1.323) 2.788 9.141 ( 0.384 0.760 -1.535) 1.756 9.227 ( -1.776 0.022 -2.374) 2.965 9.363 ( 11.119 -4.056 0.585) 11.850 9.375 ( 1.341 -0.979 1.278) 2.095 9.510 ( 1.995 0.605 -4.014) 4.523 9.738 ( 4.542 -4.436 4.326) 7.682 10.011 ( -5.582 0.174 1.222) 5.717 10.261 ( 5.311 3.824 1.931) 6.824 10.321 ( -0.265 3.648 3.622) 5.147 10.585 ( -2.790 6.391 -1.282) 7.090 10.912 ( 2.327 1.900 -1.062) 3.187 10.936 ( 1.277 0.795 1.930) 2.447 11.268 ( -1.958 -0.827 -0.932) 2.321 11.361 ( 1.864 -5.310 0.237) 5.632 11.570 ( 3.012 0.943 -3.072) 4.404 11.745 ( 3.875 3.816 2.539) 6.002 11.955 ( 16.407 5.545 3.150) 17.603 12.109 ( -5.904 6.545 5.125) 10.196 12.445 ( -5.197 1.380 -2.756) 6.042 12.503 ( -5.677 1.911 -5.374) 8.047 12.654 ( 0.857 4.895 0.690) 5.017 12.861 ( 0.133 7.050 -1.725) 7.259 12.942 ( 1.456 3.724 -3.636) 5.404 13.312 ( -2.006 0.299 5.851) 6.192 13.437 ( -4.530 -4.123 -4.742) 7.746 13.559 ( 2.856 -3.243 0.573) 4.359 13.626 ( 2.221 -1.546 -0.828) 2.830 14.521 ( -0.355 -1.741 -1.050) 2.064 14.605 ( 2.240 -0.917 -2.748) 3.662 14.788 ( -4.140 -5.450 4.474) 8.176 14.991 ( -6.983 -9.788 -3.872) 12.632 15.187 ( -4.618 -7.711 -9.988) 13.436 15.305 ( -2.078 -11.184 -2.344) 11.614 15.997 ( -1.943 -5.292 4.950) 7.502 16.255 ( 9.962 8.465 0.627) 13.087 16.561 ( -1.668 6.420 -4.170) 7.835 16.650 ( -3.104 -2.501 -5.609) 6.881 16.991 ( -0.687 -4.814 0.874) 4.940 17.077 ( -1.605 -4.365 -2.804) 5.431 17.315 ( -1.161 -6.595 -0.562) 6.720 17.439 ( 4.966 -1.727 4.050) 6.637 20.024 ( 3.341 -0.249 7.075) 7.828 20.102 ( -2.199 -3.785 -3.796) 5.794 20.832 ( -1.215 8.861 2.742) 9.355 20.993 ( -0.232 3.735 0.030) 3.743 21.970 ( -0.704 -7.298 1.851) 7.562 22.417 ( 3.280 -7.475 -1.842) 8.368 23.131 ( -0.727 8.459 2.890) 8.968 23.470 ( 1.548 3.516 -2.559) 4.616 27.070 ( 0.074 -11.459 1.132) 11.515 27.186 ( -3.758 -20.573 -4.877) 21.474 29.293 ( -1.147 14.507 -0.290) 14.555 29.427 ( 7.057 8.751 3.033) 11.644 30.693 ( -13.608 -10.896 -0.855) 17.454 30.772 ( -4.015 -1.215 -2.045) 4.666 30.848 ( -4.071 -3.746 -3.478) 6.534 31.435 ( -1.126 -0.741 2.444) 2.791 31.506 ( -6.115 -3.665 -4.809) 8.600 31.879 ( 6.344 9.222 -0.107) 11.194 32.045 ( 2.832 9.353 1.141) 9.839 32.407 ( 11.167 -7.904 -0.762) 13.702 32.828 ( 2.516 -10.874 0.055) 11.161 33.518 ( -4.538 2.489 0.381) 5.190 33.841 ( 49.345 17.631 -26.331) 58.644 33.955 ( 2.918 4.331 -8.621) 10.079 35.351 ( -1.245 -2.277 1.256) 2.883 35.499 ( -0.250 1.804 1.142) 2.150 35.617 ( -1.973 -0.772 3.623) 4.197 36.042 ( 1.842 -3.545 -5.569) 6.854 36.335 ( -3.300 -0.529 4.608) 5.693 36.433 ( -7.648 1.287 3.689) 8.588 36.853 ( -41.093 -6.945 20.452) 46.423 38.648 ( 14.270 8.396 1.669) 16.641 ======================= Grid point 80 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -3.872 -14.728 11.374) 19.007 1.933 ( 1.362 -9.771 12.664) 16.053 2.243 ( 6.282 -10.827 -7.454) 14.569 2.500 ( 9.692 5.183 2.112) 11.192 2.768 ( 2.234 7.287 3.463) 8.371 2.906 ( 3.452 -5.027 -2.634) 6.643 2.940 ( 4.198 -13.057 -5.551) 14.796 3.081 ( 8.538 -7.518 -4.073) 12.084 3.373 ( -1.213 -1.297 -6.210) 6.459 3.514 ( 2.676 2.740 3.350) 5.088 3.559 ( 3.257 -0.286 -4.615) 5.656 3.634 ( -1.023 -1.941 -0.641) 2.286 3.763 ( 4.438 1.172 -6.633) 8.066 3.872 ( -2.914 1.964 -0.042) 3.514 4.104 ( -1.481 1.060 7.103) 7.332 4.271 ( -5.334 -2.534 -2.319) 6.344 4.465 ( -13.697 1.222 4.928) 14.608 4.795 ( -0.969 0.972 -0.447) 1.443 4.884 ( -0.947 -1.296 7.939) 8.100 5.036 ( -5.570 -1.893 -3.934) 7.077 5.160 ( -2.683 -1.328 -4.375) 5.301 5.398 ( -0.127 1.266 2.768) 3.046 5.514 ( 10.621 0.609 2.660) 10.966 5.702 ( -0.826 3.927 -1.911) 4.444 5.830 ( 0.358 -3.349 -1.064) 3.532 5.873 ( 6.808 -0.503 1.961) 7.102 6.165 ( -4.946 2.135 -3.079) 6.205 6.256 ( 0.424 -0.913 0.746) 1.253 6.361 ( -2.099 8.697 0.438) 8.957 6.546 ( 5.548 -0.518 -0.613) 5.606 7.835 ( 0.166 -0.990 2.367) 2.571 7.932 ( -0.854 4.384 -3.082) 5.426 8.289 ( -7.782 4.854 -6.160) 11.049 8.476 ( 5.516 -0.347 9.704) 11.167 8.870 ( -1.208 -1.355 -0.448) 1.870 9.132 ( -4.876 0.067 -4.728) 6.792 9.154 ( -2.007 -1.091 0.531) 2.345 9.401 ( 2.085 0.242 2.280) 3.099 9.467 ( 1.494 2.014 -0.811) 2.636 9.572 ( 8.749 -3.832 0.269) 9.555 9.840 ( -0.010 -3.055 -2.393) 3.881 9.981 ( 1.539 3.046 2.759) 4.388 10.200 ( 4.969 9.544 0.273) 10.764 10.255 ( 1.799 3.732 3.101) 5.174 10.478 ( -2.205 1.878 0.272) 2.909 10.840 ( 6.328 6.736 -0.752) 9.273 10.965 ( -1.500 0.787 4.655) 4.953 11.294 ( -2.758 -4.022 -0.008) 4.876 11.490 ( 2.830 -1.750 7.386) 8.101 11.560 ( 1.098 -2.371 -7.292) 7.746 11.718 ( 4.023 4.769 3.146) 6.987 11.865 ( 14.682 11.889 -0.754) 18.907 12.143 ( -4.163 -6.848 1.121) 8.093 12.334 ( -5.865 2.359 -7.588) 9.877 12.401 ( -3.528 0.736 1.560) 3.927 12.553 ( -1.874 5.822 0.507) 6.138 12.696 ( -2.048 8.049 -3.731) 9.105 12.887 ( 0.404 1.388 -0.143) 1.453 13.336 ( -0.182 0.629 4.872) 4.916 13.433 ( -4.354 -2.188 -4.160) 6.407 13.594 ( -3.984 -2.389 -3.348) 5.726 13.761 ( 11.040 -5.109 5.042) 13.168 14.507 ( -9.814 -3.104 -7.305) 12.621 14.636 ( 5.040 2.998 2.295) 6.297 14.879 ( -3.454 -7.691 1.392) 8.545 15.130 ( -2.332 -7.430 -0.721) 7.820 15.273 ( -0.981 -11.198 -2.759) 11.574 15.461 ( -4.492 -10.290 -3.934) 11.896 16.088 ( 4.418 4.296 6.182) 8.729 16.270 ( 5.199 -6.362 0.397) 8.226 16.406 ( -1.679 5.701 -0.442) 5.960 16.596 ( -5.916 -0.061 -7.587) 9.621 17.070 ( -1.892 -4.666 -1.066) 5.147 17.133 ( -0.382 -4.231 -0.574) 4.287 17.422 ( -0.454 -5.179 -0.797) 5.260 17.504 ( 1.784 -0.089 2.990) 3.483 20.077 ( 0.818 -0.645 3.821) 3.960 20.167 ( -1.005 -7.276 -4.599) 8.666 20.652 ( -1.602 11.242 2.701) 11.672 20.880 ( 1.437 8.230 -1.457) 8.481 22.165 ( 0.146 -12.697 2.288) 12.903 22.596 ( 2.628 -10.682 -2.172) 11.213 22.975 ( -1.719 9.636 3.781) 10.493 23.374 ( 2.023 7.186 -2.089) 7.752 27.370 ( 0.066 -19.986 3.144) 20.232 27.505 ( -5.746 -22.222 -6.850) 23.954 28.938 ( -3.097 21.547 -1.256) 21.805 29.304 ( 10.185 13.752 3.152) 17.401 30.778 ( -4.754 -4.788 -1.131) 6.842 30.839 ( -6.496 -12.384 -0.041) 13.984 30.893 ( -4.071 -7.608 -3.906) 9.472 31.462 ( -4.777 -2.415 -0.725) 5.401 31.517 ( -1.763 -2.979 1.329) 3.708 31.753 ( 2.422 8.074 -1.179) 8.512 31.868 ( 3.420 11.644 -1.911) 12.285 32.632 ( 10.324 -7.757 -1.454) 12.995 33.062 ( 2.648 -11.866 0.170) 12.159 33.420 ( -4.053 4.781 0.699) 6.307 33.686 ( 25.774 17.869 -12.616) 33.805 33.826 ( 2.187 7.611 -5.858) 9.850 35.391 ( -1.889 -2.168 1.766) 3.375 35.493 ( -1.105 -0.875 1.847) 2.323 35.640 ( -3.590 -1.311 5.111) 6.382 36.064 ( 1.177 -0.456 -3.743) 3.950 36.301 ( -4.601 1.279 1.200) 4.924 36.408 ( -6.536 0.550 10.840) 12.670 36.914 ( -17.097 -15.893 3.078) 23.545 38.540 ( 11.689 15.127 0.262) 19.119 ======================= Grid point 81 (33/114) ======================= q-point: ( 0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -6.664 0.746 -0.371) 6.716 2.143 ( -5.645 -12.287 3.574) 13.986 2.360 ( -3.045 3.288 -2.443) 5.104 2.442 ( 6.085 -6.063 0.504) 8.605 2.622 ( -0.779 12.762 -2.387) 13.006 2.938 ( -4.648 -5.856 -5.805) 9.465 3.090 ( 3.261 -6.336 -3.592) 7.980 3.262 ( 4.693 2.090 0.024) 5.138 3.342 ( 5.221 0.632 -2.325) 5.750 3.550 ( 6.916 -3.594 1.518) 7.941 3.677 ( 8.498 11.712 -4.983) 15.305 3.727 ( -3.134 -5.291 -2.946) 6.819 3.759 ( 7.587 -3.258 1.794) 8.450 3.793 ( 4.902 -8.833 -2.248) 10.349 4.140 ( -5.602 -0.517 9.236) 10.815 4.261 ( -8.070 -3.238 -0.957) 8.748 4.422 ( 0.043 0.855 4.589) 4.668 4.800 ( 3.203 -0.985 -0.435) 3.380 4.919 ( -3.392 1.208 -0.898) 3.711 5.025 ( -0.015 -3.449 -0.408) 3.473 5.165 ( -1.262 -3.655 -4.013) 5.573 5.285 ( -8.866 6.075 2.779) 11.101 5.583 ( 8.700 1.478 3.521) 9.501 5.607 ( -3.471 2.360 0.243) 4.205 5.797 ( -3.899 8.231 0.477) 9.120 5.915 ( 3.921 -1.738 -0.667) 4.341 6.083 ( -2.590 0.116 -3.788) 4.590 6.201 ( -4.233 3.963 5.465) 7.968 6.441 ( 8.817 -7.805 1.323) 11.849 6.595 ( 4.154 -1.110 -0.739) 4.363 7.784 ( -2.682 5.455 -3.842) 7.191 7.845 ( -1.815 0.077 0.348) 1.850 8.140 ( -8.480 1.948 -5.430) 10.256 8.616 ( 7.726 -1.675 7.367) 10.806 8.904 ( 2.427 -3.028 0.121) 3.883 9.028 ( -5.680 1.557 -2.250) 6.304 9.236 ( 2.735 -2.029 3.393) 4.807 9.412 ( -2.043 1.363 0.330) 2.478 9.448 ( 0.572 -1.401 2.705) 3.100 9.588 ( -1.637 4.191 -3.635) 5.784 9.848 ( -0.478 -2.191 -4.159) 4.725 9.923 ( 8.118 8.622 2.575) 12.119 10.124 ( 1.046 2.380 -0.157) 2.604 10.225 ( -0.785 -0.672 -1.909) 2.170 10.452 ( 1.482 3.471 4.001) 5.500 10.766 ( 3.943 5.778 -2.457) 7.414 10.939 ( -2.425 2.435 4.129) 5.372 11.346 ( -2.809 -2.976 1.306) 4.296 11.475 ( 1.220 4.775 3.007) 5.774 11.573 ( 1.988 4.550 -0.778) 5.025 11.656 ( 4.431 4.441 -1.101) 6.369 11.876 ( 7.076 -3.493 -2.892) 8.405 12.140 ( -5.035 -1.678 -4.020) 6.658 12.339 ( -5.470 5.464 1.658) 7.907 12.405 ( 1.187 -10.862 2.400) 11.187 12.506 ( 1.085 -0.572 1.046) 1.612 12.551 ( -1.102 1.341 -2.763) 3.263 12.857 ( 2.569 5.484 1.164) 6.166 13.311 ( -0.785 3.635 3.324) 4.988 13.441 ( -0.862 -3.614 -2.857) 4.687 13.610 ( -8.200 -7.459 -4.446) 11.943 13.896 ( 6.491 2.888 3.008) 7.715 14.429 ( -3.115 3.027 -5.857) 7.292 14.591 ( -2.363 -0.138 1.725) 2.929 15.036 ( 0.794 -8.159 1.761) 8.385 15.245 ( -1.325 -6.708 0.706) 6.874 15.407 ( 0.318 -3.478 -0.092) 3.494 15.561 ( -0.479 -4.982 -0.753) 5.062 16.092 ( 3.979 1.600 6.512) 7.797 16.274 ( -2.895 1.070 -5.974) 6.724 16.358 ( -4.172 5.913 -0.634) 7.264 16.653 ( 4.023 -12.896 -0.893) 13.538 17.116 ( -1.710 -3.597 -3.160) 5.084 17.209 ( 0.670 -3.548 1.366) 3.861 17.452 ( -2.093 1.021 0.072) 2.330 17.523 ( 1.266 0.016 2.041) 2.402 20.119 ( -0.757 -3.401 0.235) 3.492 20.272 ( 1.678 -4.941 -4.499) 6.890 20.464 ( -2.767 7.363 2.494) 8.252 20.732 ( 2.761 8.768 -1.680) 9.345 22.423 ( 0.618 -13.670 2.610) 13.931 22.787 ( 0.373 -2.203 -2.730) 3.527 22.821 ( -1.409 0.168 4.301) 4.529 23.225 ( 1.752 9.881 -1.696) 10.177 27.780 ( -1.233 -22.735 2.517) 22.907 27.820 ( -3.747 -21.832 -3.678) 22.455 28.499 ( -2.799 23.569 -1.077) 23.759 29.148 ( 12.174 14.487 1.459) 18.979 30.842 ( -3.869 -5.874 0.532) 7.053 30.955 ( -4.524 -7.097 -0.188) 8.418 31.064 ( 0.274 -12.257 -1.986) 12.420 31.437 ( -2.292 1.276 -0.330) 2.644 31.566 ( -1.937 -0.062 2.495) 3.159 31.624 ( -1.707 4.347 -1.258) 4.837 31.685 ( 1.878 8.185 -5.372) 9.969 32.796 ( 11.230 -1.570 -3.879) 11.984 33.213 ( 0.106 1.438 1.690) 2.221 33.340 ( 1.097 -0.096 -2.613) 2.835 33.527 ( 6.805 4.854 -5.414) 9.959 33.660 ( 1.478 9.883 -1.764) 10.148 35.413 ( -2.337 -0.834 2.204) 3.319 35.520 ( -0.977 -1.527 1.307) 2.235 35.662 ( -5.012 -1.048 6.706) 8.438 36.048 ( 1.719 0.696 -3.597) 4.047 36.273 ( -1.356 -0.247 1.157) 1.800 36.413 ( -6.633 0.204 11.071) 12.908 37.139 ( -6.326 -18.342 -2.932) 19.622 38.318 ( 8.461 17.045 -1.839) 19.119 ======================= Grid point 82 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -7.269 15.143 -0.049) 16.798 2.041 ( -4.368 19.371 2.240) 19.983 2.340 ( 0.215 5.288 -8.061) 9.643 2.495 ( 7.032 -6.973 5.032) 11.108 2.659 ( -4.420 -11.619 0.802) 12.458 2.987 ( 3.322 0.561 -4.802) 5.866 3.061 ( -1.034 5.731 -6.080) 8.419 3.246 ( -6.346 3.934 3.716) 8.341 3.386 ( 10.450 -4.654 -5.424) 12.660 3.464 ( 3.066 12.565 0.211) 12.936 3.624 ( 3.919 6.040 2.588) 7.651 3.717 ( 0.710 -1.885 -1.598) 2.571 3.863 ( 1.978 -0.579 -1.496) 2.547 3.964 ( -0.879 -4.705 -3.261) 5.792 4.111 ( -7.049 2.116 4.087) 8.418 4.276 ( 2.392 -3.443 2.586) 4.926 4.478 ( -2.071 -4.834 4.002) 6.608 4.822 ( 1.183 -0.131 -6.524) 6.631 4.867 ( 4.834 -1.056 0.210) 4.952 5.097 ( -6.028 -1.276 0.949) 6.234 5.201 ( -4.766 -3.379 -0.723) 5.887 5.251 ( 3.947 -8.507 -1.558) 9.507 5.552 ( -3.795 2.401 1.449) 4.718 5.619 ( 1.271 -0.418 -3.252) 3.516 5.697 ( -2.354 -0.292 6.247) 6.682 5.907 ( 3.850 5.630 0.925) 6.883 6.011 ( -1.549 3.171 0.952) 3.655 6.260 ( -1.328 -5.946 3.580) 7.066 6.539 ( 5.009 2.289 -2.118) 5.901 6.684 ( 3.216 -4.921 -0.861) 5.941 7.694 ( -0.512 2.066 -0.085) 2.130 7.860 ( 2.815 -1.580 1.992) 3.793 8.029 ( -8.050 -0.599 -4.631) 9.306 8.631 ( 2.228 4.620 -3.390) 6.148 8.980 ( -2.202 -0.255 1.955) 2.955 9.045 ( 2.367 -4.939 2.979) 6.235 9.243 ( 2.732 5.394 6.092) 8.583 9.345 ( -3.301 2.737 -0.250) 4.295 9.448 ( -3.686 2.670 -4.278) 6.246 9.550 ( 0.551 -5.706 0.244) 5.738 9.850 ( 5.041 6.930 0.501) 8.584 9.915 ( 5.754 -3.673 2.599) 7.304 10.074 ( -5.401 -2.723 -4.860) 7.759 10.261 ( 3.931 1.967 2.485) 5.049 10.403 ( -4.009 0.633 -0.616) 4.105 10.650 ( 0.564 6.000 -3.923) 7.191 10.916 ( -3.266 -0.330 3.927) 5.118 11.341 ( -1.058 2.991 2.221) 3.873 11.422 ( 0.183 2.864 1.574) 3.273 11.491 ( 0.461 2.901 -0.975) 3.095 11.625 ( 3.260 2.608 -1.089) 4.314 11.922 ( -1.360 0.895 -2.196) 2.734 12.190 ( -1.409 -6.822 -0.556) 6.988 12.229 ( -1.413 1.690 -0.685) 2.307 12.488 ( 0.831 -2.145 -3.402) 4.106 12.608 ( 2.257 -4.086 2.661) 5.373 12.680 ( -0.018 -11.434 0.918) 11.471 12.725 ( 3.446 10.129 1.695) 10.833 13.256 ( -1.985 3.025 2.332) 4.304 13.514 ( 2.653 -4.039 -0.907) 4.917 13.678 ( -7.134 -8.679 -3.396) 11.737 13.804 ( -0.225 7.500 -0.241) 7.508 14.281 ( -0.015 9.106 -0.450) 9.117 14.640 ( -0.169 -2.827 -0.165) 2.837 15.153 ( -1.069 0.298 3.477) 3.650 15.308 ( 3.191 -4.703 -3.419) 6.633 15.486 ( -2.440 -6.444 0.449) 6.905 15.633 ( 2.168 -1.736 3.272) 4.292 16.062 ( -1.677 9.912 -0.918) 10.094 16.216 ( -1.578 -5.026 -1.968) 5.623 16.239 ( -1.382 5.680 2.715) 6.445 16.937 ( 5.963 -13.545 -2.143) 14.954 17.141 ( 0.325 -1.953 -4.119) 4.570 17.273 ( 1.096 -1.429 2.246) 2.879 17.378 ( -3.811 3.773 -0.229) 5.367 17.534 ( 0.923 1.454 2.257) 2.839 20.180 ( 1.484 7.591 -0.141) 7.736 20.206 ( 0.025 -3.186 -1.937) 3.729 20.509 ( -0.825 -9.926 -2.009) 10.161 20.600 ( 2.861 7.444 -0.664) 8.002 22.589 ( -2.395 7.609 2.554) 8.376 22.702 ( -1.011 -8.888 2.343) 9.247 23.012 ( 1.288 -6.534 -2.752) 7.206 23.039 ( 1.163 6.160 -0.068) 6.269 28.035 ( 0.537 20.680 0.432) 20.692 28.133 ( -2.540 -19.752 -2.867) 20.120 28.251 ( -2.832 -21.727 3.140) 22.135 28.995 ( 11.995 12.641 -3.766) 17.829 30.904 ( -2.654 -2.032 1.867) 3.828 31.048 ( -2.289 -5.823 0.789) 6.306 31.229 ( 1.799 -3.579 -1.217) 4.186 31.366 ( 3.633 8.581 0.588) 9.337 31.474 ( -3.614 0.337 -3.077) 4.758 31.573 ( -1.853 -2.094 -6.187) 6.790 31.630 ( -2.190 -0.103 4.729) 5.212 32.757 ( 10.182 11.444 -8.973) 17.752 33.106 ( -2.135 8.246 2.848) 8.982 33.324 ( 1.262 -0.560 -3.895) 4.132 33.488 ( -0.122 9.295 2.479) 9.621 33.626 ( 1.169 -10.269 -2.493) 10.632 35.413 ( -2.187 0.283 2.633) 3.434 35.533 ( -0.640 0.089 0.616) 0.893 35.670 ( -5.105 0.196 6.906) 8.590 36.036 ( 2.867 0.378 -3.203) 4.315 36.302 ( -0.129 -2.481 2.132) 3.274 36.421 ( -7.305 -0.561 9.495) 11.993 37.406 ( -0.696 -15.339 -3.121) 15.669 38.081 ( 4.856 12.194 -3.475) 13.578 ======================= Grid point 83 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 3.147 17.262 13.663) 22.239 1.633 ( -5.091 23.735 7.844) 25.511 2.263 ( 3.005 1.256 1.959) 3.800 2.664 ( 11.660 15.005 3.811) 19.381 2.721 ( 0.887 -5.674 -1.407) 5.913 2.788 ( -4.491 17.150 -3.538) 18.077 2.867 ( -5.248 10.043 -2.481) 11.600 3.075 ( 4.195 15.753 3.316) 16.636 3.308 ( -2.395 -1.898 -0.787) 3.156 3.475 ( 3.550 -1.537 -4.395) 5.855 3.624 ( -0.808 -5.221 -5.654) 7.739 3.731 ( -1.208 2.486 -4.337) 5.143 3.796 ( -3.172 -1.588 0.843) 3.646 4.020 ( -0.051 -3.389 -2.579) 4.259 4.076 ( -0.329 -1.864 0.521) 1.964 4.422 ( 2.299 -6.256 1.894) 6.929 4.597 ( -1.216 -8.483 1.152) 8.647 4.826 ( 1.933 3.972 2.731) 5.193 4.931 ( 2.211 -3.899 -3.843) 5.904 5.135 ( -8.661 -12.024 -4.073) 15.368 5.230 ( -0.796 -3.970 -3.873) 5.603 5.362 ( 6.181 3.171 2.361) 7.337 5.542 ( -2.569 -1.115 -2.118) 3.511 5.637 ( -2.016 -7.313 0.189) 7.588 5.739 ( 3.178 3.638 3.816) 6.156 5.825 ( 0.409 4.891 5.497) 7.370 5.953 ( -1.916 3.064 2.079) 4.169 6.362 ( -1.068 -5.147 -0.649) 5.296 6.493 ( 1.859 3.641 -1.705) 4.429 6.724 ( -1.396 -0.674 -6.394) 6.579 7.692 ( 3.705 0.851 5.870) 6.993 7.926 ( -3.501 -3.373 -3.874) 6.217 8.040 ( 4.171 -3.832 5.213) 7.698 8.538 ( 1.369 3.746 -3.230) 5.132 8.913 ( -4.923 4.880 0.424) 6.945 9.073 ( -0.719 1.121 -0.178) 1.344 9.253 ( -3.776 -1.892 2.972) 5.164 9.320 ( 4.019 2.029 3.955) 5.992 9.392 ( -2.035 -0.190 0.081) 2.046 9.616 ( 0.065 -0.299 -1.984) 2.008 9.776 ( 3.649 2.177 -2.603) 4.983 10.035 ( 4.174 0.877 -1.149) 4.417 10.107 ( -2.828 -5.871 0.673) 6.551 10.209 ( -2.750 3.015 3.954) 5.682 10.352 ( -0.926 0.920 -0.537) 1.412 10.641 ( 2.027 -5.781 -1.741) 6.368 10.956 ( -2.656 -4.786 3.339) 6.412 11.286 ( -1.131 3.224 3.136) 4.638 11.399 ( -0.424 -0.525 -1.546) 1.687 11.452 ( -3.306 0.470 0.291) 3.352 11.597 ( 3.280 2.582 -0.734) 4.238 11.832 ( -3.229 4.402 -2.099) 5.849 12.229 ( 2.728 -1.261 -0.932) 3.147 12.309 ( -0.756 -4.935 -0.246) 4.999 12.464 ( 1.598 11.737 3.120) 12.249 12.587 ( 2.215 -7.514 -2.944) 8.369 12.737 ( -0.598 -1.840 -1.825) 2.660 12.868 ( -1.521 -9.198 -2.480) 9.647 13.223 ( -2.172 -0.248 4.356) 4.873 13.551 ( -0.133 1.937 -0.549) 2.018 13.630 ( 3.034 5.437 -2.071) 6.562 13.856 ( -2.205 -9.671 0.054) 9.919 14.128 ( 0.987 7.662 2.000) 7.980 14.644 ( 1.258 2.651 1.191) 3.166 15.044 ( -1.227 8.479 1.806) 8.756 15.472 ( 1.527 -4.969 -3.997) 6.557 15.518 ( -0.520 0.269 -2.213) 2.289 15.666 ( -2.694 -2.710 -2.048) 4.335 15.900 ( 1.439 6.600 5.172) 8.507 16.103 ( -1.096 7.748 3.673) 8.644 16.352 ( 0.092 -9.378 -0.972) 9.428 17.113 ( -0.189 -0.216 -9.764) 9.768 17.165 ( 3.804 -5.752 -3.383) 7.681 17.272 ( 0.078 3.338 1.107) 3.518 17.316 ( -0.769 0.121 1.943) 2.093 17.511 ( 1.226 3.062 2.121) 3.921 20.013 ( 1.151 9.497 2.215) 9.820 20.287 ( 4.816 -1.567 -6.460) 8.209 20.523 ( -1.039 -0.155 2.327) 2.553 20.694 ( 0.890 -10.731 -1.592) 10.885 22.380 ( -4.781 11.780 3.091) 13.084 22.774 ( 2.557 10.022 -3.074) 10.790 22.933 ( -3.095 -7.411 2.185) 8.323 23.228 ( 1.579 -10.993 -2.097) 11.302 27.641 ( 0.218 21.413 1.121) 21.443 28.463 ( -1.014 -16.534 -4.413) 17.143 28.640 ( -2.373 -19.621 -0.814) 19.781 28.840 ( 8.003 5.890 -8.799) 13.273 30.870 ( 2.052 6.943 3.741) 8.149 31.093 ( -1.753 1.134 -0.043) 2.088 31.190 ( -2.566 3.422 -0.059) 4.277 31.222 ( 4.915 8.763 0.408) 10.055 31.548 ( -0.327 -7.747 -0.341) 7.761 31.632 ( -2.443 -4.534 3.023) 5.972 31.650 ( 3.889 -2.995 -2.165) 5.365 32.509 ( 6.815 15.120 -11.772) 20.338 32.956 ( 0.160 9.031 4.207) 9.964 33.235 ( 0.301 10.442 0.311) 10.451 33.457 ( -0.944 -3.887 1.882) 4.421 33.799 ( 1.086 -9.703 -4.288) 10.663 35.401 ( -1.733 1.100 2.973) 3.613 35.516 ( -0.410 1.589 0.454) 1.703 35.654 ( -3.696 1.522 5.301) 6.639 36.044 ( 3.137 -0.268 -1.817) 3.635 36.375 ( -1.880 -4.243 4.293) 6.322 36.422 ( -7.184 -0.577 6.483) 9.693 37.565 ( -3.260 -2.403 1.741) 4.408 38.002 ( 4.113 -4.749 -5.622) 8.431 ======================= Grid point 84 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 6.052 24.439 14.079) 28.846 1.337 ( 10.101 13.726 32.510) 36.706 1.994 ( -6.804 41.482 2.216) 42.095 2.329 ( -1.231 2.205 3.941) 4.681 2.652 ( 4.007 9.352 2.442) 10.464 2.666 ( 7.399 8.307 1.314) 11.202 2.784 ( 4.035 8.320 2.693) 9.631 2.933 ( 2.990 -6.750 -2.127) 7.683 3.432 ( 4.245 -8.024 -4.394) 10.085 3.509 ( -0.873 -3.137 1.408) 3.548 3.606 ( -2.003 2.481 -3.950) 5.076 3.671 ( -2.200 -3.403 -9.298) 10.143 3.868 ( -0.346 -6.049 -3.254) 6.877 4.086 ( 2.831 -3.555 -4.545) 6.427 4.109 ( -0.312 -0.671 1.609) 1.770 4.486 ( -6.509 -2.237 -2.974) 7.498 4.720 ( -7.035 -2.374 5.110) 9.013 4.795 ( 3.200 -0.288 3.772) 4.955 4.967 ( -1.332 -3.215 -4.712) 5.858 5.138 ( -4.380 1.984 -5.574) 7.362 5.308 ( 1.440 0.870 -4.499) 4.803 5.381 ( 1.921 -0.527 -0.937) 2.202 5.501 ( 0.917 -0.719 0.165) 1.176 5.599 ( 0.338 11.122 3.236) 11.588 5.795 ( 0.861 -6.978 0.351) 7.040 5.830 ( -6.630 -2.635 -2.602) 7.594 5.938 ( 3.848 -0.260 9.417) 10.176 6.405 ( 2.604 1.338 -1.570) 3.322 6.461 ( -2.850 -3.655 -2.163) 5.115 6.648 ( -4.086 0.556 -8.643) 9.576 7.778 ( 6.264 0.148 10.120) 11.903 7.934 ( -4.350 -4.528 -3.006) 6.961 8.180 ( 1.151 -4.958 3.608) 6.239 8.498 ( 0.329 0.481 0.186) 0.612 8.839 ( 3.104 2.155 3.587) 5.210 9.055 ( -0.528 0.982 1.625) 1.971 9.219 ( -3.192 3.199 0.325) 4.531 9.292 ( 1.827 3.798 -1.108) 4.358 9.422 ( 0.250 -0.692 3.911) 3.979 9.584 ( -2.182 -2.083 -6.790) 7.430 9.759 ( 2.001 4.523 -1.998) 5.334 9.977 ( 3.047 1.295 1.493) 3.632 10.121 ( 1.831 2.089 4.087) 4.942 10.282 ( -7.871 -9.528 -0.036) 12.359 10.424 ( 4.438 -3.194 7.016) 8.895 10.762 ( -0.196 -7.435 -4.421) 8.652 11.069 ( -3.618 -6.733 1.676) 7.825 11.249 ( -2.255 0.750 2.053) 3.141 11.406 ( 1.011 0.074 -0.815) 1.301 11.456 ( -1.057 -3.692 2.548) 4.609 11.574 ( 2.747 1.968 -2.217) 4.042 11.726 ( -1.599 3.046 -2.052) 4.006 12.193 ( 0.713 6.770 -0.005) 6.807 12.333 ( 1.087 -1.696 4.292) 4.741 12.447 ( 1.970 -3.425 0.954) 4.065 12.688 ( 0.307 0.307 -3.696) 3.722 12.771 ( 3.427 -7.449 -0.653) 8.225 12.945 ( -3.484 -4.498 -5.720) 8.068 13.266 ( -3.547 -1.789 6.174) 7.341 13.502 ( 0.351 0.443 -0.818) 0.995 13.578 ( 2.176 2.782 -1.471) 3.826 13.858 ( -4.418 4.660 -6.589) 9.200 14.181 ( 10.169 -4.403 9.325) 14.483 14.601 ( 0.857 3.285 1.321) 3.643 14.903 ( 0.035 8.258 3.075) 8.812 15.307 ( -5.732 9.089 -5.671) 12.150 15.456 ( 1.886 7.939 -1.779) 8.352 15.747 ( -4.874 7.586 -3.617) 9.715 15.837 ( 8.640 -6.065 1.022) 10.606 16.083 ( -3.197 -3.397 3.655) 5.927 16.517 ( -0.450 -9.383 -1.833) 9.571 17.000 ( -0.804 4.944 -8.558) 9.916 17.140 ( -3.604 3.334 -9.117) 10.355 17.242 ( 1.456 2.932 -4.004) 5.172 17.316 ( 2.886 3.001 3.462) 5.415 17.465 ( 2.850 5.299 -0.981) 6.097 19.904 ( 2.170 5.882 4.274) 7.588 20.236 ( 4.704 5.306 -5.563) 9.013 20.634 ( -1.603 -9.635 3.322) 10.317 20.875 ( 0.690 -9.111 -0.848) 9.176 22.154 ( -5.119 10.726 3.272) 12.327 22.566 ( 2.492 11.744 -2.515) 12.266 23.050 ( -5.042 -7.001 0.241) 8.631 23.398 ( 0.893 -8.306 -3.504) 9.059 27.303 ( 0.312 17.268 1.315) 17.320 28.221 ( -11.277 22.873 -32.643) 41.423 28.956 ( 3.202 -18.644 2.608) 19.096 29.062 ( 0.843 -17.766 1.158) 17.824 30.812 ( 8.773 4.646 3.892) 10.663 31.019 ( -0.324 5.042 0.928) 5.137 31.088 ( -5.914 5.723 4.201) 9.240 31.163 ( 13.262 6.427 5.485) 15.725 31.634 ( -0.471 -3.658 -2.437) 4.420 31.728 ( 3.483 -3.030 -1.670) 4.909 31.793 ( 1.723 -10.223 1.396) 10.460 32.252 ( 13.915 13.282 -11.366) 22.343 32.869 ( 9.509 6.752 5.058) 12.712 33.046 ( 2.147 10.872 3.199) 11.534 33.533 ( -1.635 -4.273 0.324) 4.587 33.931 ( 1.306 -7.291 -6.010) 9.539 35.381 ( -1.165 1.682 2.606) 3.313 35.486 ( -0.529 1.319 0.876) 1.670 35.625 ( -2.121 1.755 3.684) 4.599 36.068 ( 2.695 -0.494 -1.100) 2.952 36.392 ( -5.554 1.788 3.727) 6.923 36.460 ( -3.869 -4.541 4.344) 7.380 37.520 ( -23.697 -3.395 9.560) 25.777 38.194 ( 9.068 -11.190 -4.882) 15.207 ======================= Grid point 87 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 22.154 -0.000 17.110) 27.992 1.611 ( 8.020 -0.000 18.365) 20.040 1.999 ( 10.230 -0.000 -10.103) 14.378 2.559 ( 12.989 -0.000 -12.017) 17.696 2.590 ( 20.887 -0.000 12.128) 24.153 2.930 ( -1.680 0.000 -0.184) 1.690 2.976 ( 1.939 -0.000 -6.829) 7.099 3.028 ( -3.480 0.000 4.925) 6.030 3.330 ( -8.664 0.000 -4.888) 9.948 3.380 ( -8.815 0.000 2.971) 9.302 3.621 ( -5.314 0.000 -12.194) 13.301 3.714 ( -8.829 0.000 0.656) 8.853 3.748 ( 3.247 -0.000 -6.345) 7.127 3.780 ( 4.086 -0.000 1.962) 4.533 4.153 ( -3.120 0.000 6.027) 6.787 4.220 ( -2.347 0.000 -3.404) 4.134 4.440 ( -21.638 0.000 5.074) 22.225 4.840 ( -1.398 0.000 0.866) 1.644 4.951 ( -4.845 0.000 -0.282) 4.853 4.996 ( -1.877 0.000 3.335) 3.827 5.067 ( -0.002 0.000 -2.099) 2.099 5.376 ( 9.606 -0.000 5.574) 11.106 5.537 ( 10.664 -0.000 0.693) 10.687 5.549 ( 13.795 -0.000 1.867) 13.921 5.835 ( -6.347 0.000 -3.915) 7.457 5.893 ( 2.970 -0.000 -6.167) 6.845 6.195 ( -1.560 0.000 1.453) 2.132 6.382 ( -4.806 0.000 -2.594) 5.462 6.496 ( 6.285 -0.000 1.635) 6.494 6.602 ( 0.679 -0.000 1.105) 1.297 7.810 ( 0.962 -0.000 3.446) 3.578 8.008 ( 4.187 -0.000 1.798) 4.557 8.433 ( -7.332 0.000 -3.995) 8.349 8.480 ( 0.963 -0.000 4.860) 4.955 8.922 ( 0.656 -0.000 -0.729) 0.981 9.008 ( -11.917 0.000 -11.563) 16.605 9.260 ( 1.813 -0.000 1.867) 2.603 9.391 ( 2.761 -0.000 3.558) 4.504 9.439 ( 11.317 -0.000 2.853) 11.671 9.512 ( 5.480 -0.000 -5.423) 7.710 9.750 ( 2.408 -0.000 3.880) 4.567 10.000 ( -0.259 0.000 2.305) 2.320 10.345 ( 2.234 -0.000 0.967) 2.434 10.347 ( -1.999 0.000 7.679) 7.935 10.637 ( 0.602 -0.000 -5.649) 5.681 10.905 ( 0.609 -0.000 7.726) 7.750 11.020 ( 6.480 -0.000 -2.772) 7.048 11.218 ( -2.208 0.000 -3.522) 4.157 11.340 ( 3.905 -0.000 1.333) 4.126 11.598 ( 3.536 -0.000 -1.671) 3.911 11.826 ( 3.525 -0.000 2.692) 4.436 12.003 ( -3.758 0.000 6.138) 7.197 12.304 ( 9.669 -0.000 -1.935) 9.860 12.343 ( -10.588 0.000 -7.763) 13.129 12.479 ( -0.798 0.000 -1.955) 2.112 12.690 ( -5.083 0.000 -2.761) 5.784 12.928 ( -0.023 0.000 -7.033) 7.033 12.977 ( 2.184 -0.000 1.285) 2.534 13.313 ( -2.417 0.000 3.240) 4.042 13.457 ( 5.658 -0.000 4.385) 7.159 13.465 ( -4.194 0.000 -3.195) 5.273 13.635 ( 4.440 -0.000 1.445) 4.670 14.507 ( -2.306 0.000 -1.839) 2.950 14.523 ( -4.458 0.000 -3.934) 5.945 14.635 ( -11.999 0.000 -8.417) 14.657 14.834 ( -5.466 0.000 -2.832) 6.156 15.011 ( 1.266 -0.000 -0.400) 1.327 15.249 ( 1.622 -0.000 -0.640) 1.743 15.944 ( -0.768 0.000 3.815) 3.891 16.432 ( 8.391 -0.000 0.193) 8.393 16.581 ( -1.786 0.000 -4.164) 4.530 16.623 ( -0.085 0.000 -0.746) 0.751 16.929 ( -1.536 0.000 -0.047) 1.537 17.008 ( -1.001 0.000 -1.339) 1.672 17.233 ( -1.382 0.000 -0.181) 1.394 17.489 ( 4.686 -0.000 4.026) 6.179 20.023 ( -3.130 0.000 -3.904) 5.004 20.092 ( 2.875 -0.000 6.516) 7.122 20.940 ( -0.262 0.000 1.959) 1.976 21.006 ( -1.548 0.000 0.925) 1.803 21.910 ( -0.181 0.000 1.654) 1.663 22.364 ( 3.357 -0.000 -1.449) 3.656 23.232 ( -0.167 0.000 2.067) 2.074 23.501 ( 1.885 -0.000 -1.819) 2.619 26.968 ( -0.134 0.000 0.116) 0.177 26.975 ( -0.082 0.000 0.012) 0.083 29.438 ( 0.320 -0.000 -0.223) 0.390 29.570 ( 6.429 -0.000 2.284) 6.822 30.448 ( -13.548 0.000 -3.588) 14.015 30.726 ( -3.680 0.000 -0.776) 3.761 30.762 ( -4.370 0.000 -2.964) 5.280 31.393 ( -5.476 0.000 -3.511) 6.505 31.433 ( -1.541 0.000 1.295) 2.012 32.024 ( 2.930 -0.000 -0.725) 3.018 32.172 ( 3.890 -0.000 2.771) 4.776 32.392 ( 7.105 -0.000 -0.182) 7.108 32.730 ( 3.536 -0.000 -1.062) 3.691 33.507 ( -5.219 0.000 1.597) 5.458 33.970 ( 3.490 -0.000 -8.476) 9.166 34.201 ( 45.714 -0.000 -40.062) 60.784 35.324 ( -1.422 0.000 1.007) 1.742 35.530 ( 1.093 -0.000 -1.262) 1.670 35.617 ( -2.448 0.000 3.918) 4.620 35.971 ( 1.507 -0.000 -4.466) 4.713 36.329 ( -6.783 0.000 6.602) 9.466 36.389 ( -6.284 0.000 -1.233) 6.404 36.626 ( -37.056 0.000 31.276) 48.491 38.847 ( 12.581 -0.000 2.988) 12.931 ======================= Grid point 88 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 6.696 -0.244 11.375) 13.202 1.872 ( 3.114 -5.625 10.797) 12.566 2.119 ( 10.713 -7.391 -3.384) 13.448 2.575 ( 8.767 -4.656 -1.531) 10.044 2.795 ( -1.691 2.250 -4.348) 5.179 2.800 ( 9.512 -2.769 -11.843) 15.440 2.952 ( 5.401 4.414 4.882) 8.514 3.125 ( 8.531 -1.152 -2.863) 9.073 3.250 ( -10.311 -3.214 -6.532) 12.622 3.426 ( -5.807 -9.757 3.429) 11.861 3.537 ( 0.940 -1.602 -5.256) 5.574 3.607 ( -4.361 3.266 -3.394) 6.420 3.758 ( 3.768 -0.577 -5.362) 6.579 3.851 ( 2.269 -2.435 0.663) 3.393 4.147 ( -12.983 -1.699 4.736) 13.924 4.181 ( -3.717 2.363 4.147) 6.050 4.360 ( -9.788 -3.508 4.117) 11.183 4.815 ( -0.989 1.467 0.803) 1.943 4.932 ( -5.669 -1.192 -0.043) 5.793 4.964 ( 3.897 2.879 6.071) 7.767 5.091 ( -1.607 -1.479 -4.318) 4.839 5.449 ( 3.450 1.571 1.946) 4.262 5.645 ( 10.740 0.697 3.983) 11.476 5.663 ( -1.097 -4.618 -3.968) 6.187 5.820 ( 2.556 -0.962 0.503) 2.777 5.899 ( 8.771 -2.020 -1.246) 9.086 6.158 ( -3.031 1.991 0.250) 3.635 6.276 ( -3.812 5.705 -2.995) 7.487 6.519 ( 1.611 5.937 2.008) 6.471 6.581 ( 2.722 0.507 0.821) 2.888 7.852 ( 2.645 0.358 3.319) 4.259 8.026 ( 4.181 4.407 1.618) 6.287 8.296 ( -8.284 5.255 -5.069) 11.042 8.508 ( -0.253 -2.360 3.018) 3.840 8.827 ( -4.845 0.027 -2.468) 5.437 9.004 ( -4.280 -5.212 -3.042) 7.398 9.197 ( -1.359 6.272 0.562) 6.442 9.438 ( 2.003 -0.357 2.136) 2.950 9.511 ( 4.772 0.888 -2.260) 5.354 9.563 ( 6.556 -2.516 0.411) 7.034 9.803 ( 0.960 -1.650 -0.210) 1.921 10.032 ( 3.576 -0.637 2.635) 4.487 10.297 ( -0.901 3.165 0.104) 3.292 10.439 ( 1.504 -3.165 6.519) 7.401 10.508 ( 2.341 11.523 -3.335) 12.222 10.972 ( 2.291 0.711 4.829) 5.391 11.019 ( 5.157 3.020 0.661) 6.013 11.214 ( -2.237 -2.216 -1.364) 3.432 11.415 ( 3.630 -4.446 0.045) 5.740 11.602 ( 3.774 1.793 -0.244) 4.185 11.849 ( 4.993 3.333 4.517) 7.513 12.001 ( -8.128 -2.412 2.308) 8.787 12.211 ( -1.397 4.158 -10.594) 11.467 12.289 ( 7.172 5.514 1.557) 9.180 12.405 ( 0.238 5.200 -1.969) 5.566 12.599 ( -8.145 1.379 -3.308) 8.899 12.829 ( -1.298 7.613 -2.485) 8.113 12.891 ( -2.788 5.562 -2.836) 6.838 13.334 ( -1.956 -1.089 1.251) 2.564 13.353 ( -2.119 0.741 1.761) 2.853 13.619 ( 1.946 1.917 1.119) 2.952 13.743 ( 9.135 -9.829 5.393) 14.462 14.354 ( -11.942 1.833 -10.339) 15.902 14.573 ( 0.046 -10.170 -2.381) 10.446 14.732 ( -1.128 -10.268 -1.671) 10.464 14.919 ( -2.455 -12.657 2.941) 13.224 15.066 ( -1.027 -4.996 -2.666) 5.755 15.275 ( -1.127 -4.090 -0.580) 4.282 16.046 ( 1.202 -8.611 0.345) 8.701 16.386 ( 5.457 8.570 1.893) 10.335 16.491 ( -1.512 5.836 -2.595) 6.564 16.587 ( -1.297 3.725 0.187) 3.949 16.954 ( -2.017 -4.137 -2.098) 5.058 17.052 ( -0.317 -4.897 0.140) 4.910 17.297 ( -0.359 -6.758 -0.485) 6.785 17.538 ( 2.252 0.098 2.992) 3.746 20.019 ( -2.052 -4.546 -4.299) 6.585 20.119 ( 0.541 1.689 3.307) 3.752 20.840 ( -1.314 9.083 2.093) 9.414 20.990 ( 0.153 3.324 -0.668) 3.394 21.990 ( 0.039 -7.674 2.372) 8.032 22.446 ( 2.794 -6.894 -1.585) 7.605 23.158 ( -0.631 8.388 3.128) 8.974 23.476 ( 1.978 3.569 -1.686) 4.415 27.082 ( -0.308 -12.525 1.179) 12.584 27.115 ( -1.298 -14.464 -1.739) 14.626 29.261 ( -1.700 16.724 -0.974) 16.838 29.569 ( 6.932 6.856 1.265) 9.831 30.492 ( -6.444 -14.134 -3.524) 15.928 30.713 ( -3.388 -2.028 0.878) 4.045 30.749 ( -3.892 -3.473 -1.770) 5.508 31.361 ( -4.279 -2.369 -2.706) 5.589 31.456 ( -1.767 -2.977 1.727) 3.868 31.938 ( 2.067 9.031 -0.136) 9.265 32.098 ( 2.954 10.718 -0.325) 11.123 32.531 ( 5.767 -8.589 -0.200) 10.348 32.870 ( 3.370 -10.906 -0.821) 11.444 33.456 ( -5.295 2.516 2.755) 6.477 33.908 ( 4.520 4.847 -10.027) 12.019 34.138 ( 30.754 15.709 -28.711) 44.909 35.341 ( -1.549 -2.299 1.065) 2.970 35.503 ( -0.569 1.753 0.880) 2.042 35.620 ( -4.452 -0.642 5.456) 7.071 36.017 ( 2.798 -3.629 -5.018) 6.795 36.287 ( -6.004 0.523 2.195) 6.414 36.385 ( -5.389 -4.054 1.690) 6.952 36.610 ( -21.937 -5.874 24.106) 33.119 38.857 ( 9.131 9.756 1.498) 13.446 ======================= Grid point 89 (39/114) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -3.756 -7.158 3.534) 8.822 1.953 ( -6.837 -2.745 3.698) 8.243 2.305 ( 4.422 -4.572 0.808) 6.412 2.589 ( 5.586 6.984 -4.766) 10.134 2.831 ( 0.899 8.548 -5.236) 10.065 2.851 ( 0.327 -0.023 -6.189) 6.198 2.922 ( 5.282 -7.510 -5.102) 10.504 3.164 ( 3.917 -12.954 3.731) 14.038 3.384 ( 11.959 -6.524 -6.574) 15.126 3.523 ( -4.144 -0.637 0.359) 4.208 3.536 ( 0.933 -4.234 -5.568) 7.056 3.679 ( 4.813 -9.181 0.020) 10.366 3.758 ( -1.059 -0.854 -4.578) 4.775 3.862 ( 2.554 2.202 1.328) 3.624 4.105 ( -12.733 -4.860 2.365) 13.832 4.171 ( -2.127 1.769 10.876) 11.222 4.417 ( -0.847 -3.703 3.382) 5.086 4.805 ( 1.477 0.043 -1.059) 1.818 4.893 ( -6.250 0.619 -1.943) 6.575 5.003 ( 1.868 -0.374 5.661) 5.973 5.076 ( -0.863 -1.983 -1.950) 2.911 5.348 ( -6.300 6.608 -1.720) 9.291 5.663 ( 3.672 3.828 -1.169) 5.432 5.749 ( 4.709 6.344 3.731) 8.738 5.810 ( 0.995 -7.012 -1.666) 7.276 6.002 ( 3.825 9.312 3.888) 10.792 6.021 ( -5.147 0.575 -3.375) 6.181 6.292 ( 3.325 -5.961 -0.626) 6.854 6.371 ( -1.308 5.548 2.929) 6.408 6.624 ( 4.384 -0.151 0.035) 4.387 7.844 ( 0.490 2.459 -1.308) 2.829 7.915 ( 1.304 8.447 1.497) 8.677 8.113 ( -7.510 5.145 -2.979) 9.578 8.618 ( 1.876 -5.380 -0.323) 5.707 8.847 ( -0.728 -4.797 1.356) 5.038 9.008 ( -4.034 2.271 -1.003) 4.736 9.162 ( 0.504 -5.555 3.251) 6.456 9.433 ( -1.062 1.594 0.090) 1.917 9.526 ( 4.241 2.624 3.650) 6.180 9.603 ( -0.096 0.495 -3.146) 3.186 9.787 ( -1.005 1.135 -3.325) 3.654 10.098 ( 5.212 -0.595 -0.982) 5.337 10.219 ( 0.947 5.345 -0.423) 5.444 10.290 ( 0.370 10.571 -0.445) 10.587 10.516 ( 0.814 0.344 4.042) 4.138 10.915 ( 4.845 7.575 -2.003) 9.212 11.006 ( -0.941 3.441 3.541) 5.026 11.256 ( -2.424 -4.624 0.643) 5.261 11.508 ( 1.309 -2.762 -4.540) 5.473 11.616 ( 3.071 0.372 6.341) 7.056 11.798 ( -1.263 6.771 -0.141) 6.889 11.951 ( 6.672 4.560 -6.234) 10.206 12.143 ( 4.254 6.116 -0.021) 7.450 12.216 ( -3.406 -5.565 -1.948) 6.809 12.400 ( -2.118 1.588 3.562) 4.438 12.514 ( -1.703 -0.845 1.535) 2.444 12.620 ( -0.889 9.637 -3.381) 10.252 12.851 ( -3.127 -3.290 -0.905) 4.629 13.322 ( -3.489 -3.026 -3.101) 5.563 13.397 ( 0.904 -0.186 5.138) 5.221 13.528 ( -2.197 4.768 -0.287) 5.257 14.033 ( 13.157 -1.362 7.815) 15.363 14.220 ( -10.701 -7.904 -10.460) 16.923 14.681 ( 1.378 3.519 -2.539) 4.553 14.882 ( -0.899 -10.707 3.715) 11.369 15.113 ( 0.231 -6.679 1.583) 6.868 15.249 ( -0.983 -15.415 0.672) 15.461 15.390 ( -1.699 -9.873 -0.746) 10.046 16.160 ( -0.517 -2.286 -6.551) 6.958 16.300 ( 3.905 6.696 4.336) 8.881 16.453 ( 1.167 0.226 4.468) 4.624 16.465 ( -3.205 0.355 -3.856) 5.026 17.015 ( -0.639 -4.882 -2.038) 5.329 17.142 ( -0.179 -4.693 0.643) 4.740 17.405 ( -0.443 -4.844 -0.666) 4.910 17.550 ( 0.195 0.934 2.057) 2.267 20.090 ( -1.221 -0.260 -1.385) 1.865 20.105 ( -0.166 -7.156 -3.852) 8.129 20.656 ( -1.553 11.272 2.266) 11.601 20.886 ( 1.415 7.421 -1.571) 7.716 22.195 ( -0.097 -12.967 2.962) 13.301 22.609 ( 2.019 -9.871 -2.110) 10.294 22.995 ( -1.831 10.404 4.116) 11.338 23.384 ( 1.760 7.205 -1.681) 7.605 27.390 ( -1.401 -20.140 1.117) 20.219 27.408 ( -1.047 -20.295 -0.803) 20.338 28.888 ( -1.329 21.948 -0.763) 22.001 29.451 ( 5.893 11.597 -1.504) 13.095 30.708 ( -0.688 -9.529 -0.761) 9.584 30.792 ( -2.968 -11.308 -0.605) 11.707 30.807 ( -1.801 -7.078 1.834) 7.531 31.371 ( -2.460 -2.813 -1.657) 4.088 31.517 ( -2.524 -3.900 1.925) 5.029 31.774 ( 1.231 10.212 -0.204) 10.288 31.897 ( 2.933 12.675 -1.868) 13.143 32.731 ( 4.676 -8.959 -1.381) 10.200 33.100 ( 2.812 -11.845 -1.471) 12.263 33.371 ( -4.732 4.429 3.726) 7.476 33.732 ( 8.287 12.467 -18.012) 23.421 33.902 ( 12.072 14.790 -8.303) 20.818 35.378 ( -1.943 -2.191 1.595) 3.334 35.497 ( -0.954 -0.805 1.712) 2.119 35.634 ( -5.601 -1.464 6.497) 8.702 36.042 ( 1.414 -0.518 -3.717) 4.010 36.263 ( -1.301 -0.107 0.324) 1.345 36.423 ( -5.414 -1.285 6.873) 8.843 36.776 ( -9.357 -15.127 10.344) 20.576 38.672 ( 5.683 16.482 -1.791) 17.526 ======================= Grid point 90 (40/114) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -3.308 4.712 1.557) 5.965 2.072 ( -0.194 -20.337 -0.399) 20.342 2.301 ( -2.536 6.539 0.342) 7.021 2.548 ( 3.072 5.206 1.520) 6.233 2.572 ( 1.591 6.524 -5.384) 8.607 2.812 ( -2.641 -4.291 -5.807) 7.689 3.127 ( 7.078 -5.986 -1.836) 9.450 3.346 ( 1.134 3.720 4.825) 6.197 3.414 ( 10.678 1.530 -11.078) 15.463 3.542 ( -6.985 -0.707 -0.921) 7.081 3.634 ( -2.018 -7.283 -3.208) 8.210 3.785 ( 5.763 -1.469 -5.144) 7.864 3.810 ( 4.112 -6.175 0.763) 7.458 3.894 ( 1.381 1.582 5.103) 5.518 4.094 ( -5.903 -0.718 -1.295) 6.086 4.243 ( 1.634 -3.475 11.725) 12.338 4.473 ( -2.210 0.384 3.799) 4.412 4.771 ( -2.294 0.095 -7.252) 7.607 4.847 ( -0.294 -2.496 -2.579) 3.601 5.049 ( -5.767 0.222 2.070) 6.131 5.122 ( 2.413 -0.557 -0.782) 2.597 5.210 ( 0.125 -0.785 2.994) 3.097 5.554 ( -1.624 4.376 -3.342) 5.741 5.671 ( -1.280 5.991 -0.122) 6.128 5.787 ( -1.122 7.048 3.211) 7.826 5.943 ( 2.135 -4.375 -2.386) 5.421 6.054 ( 1.133 1.951 1.452) 2.683 6.222 ( -2.925 1.875 7.842) 8.577 6.528 ( 2.555 -8.507 -4.219) 9.833 6.636 ( 1.816 1.100 -0.775) 2.260 7.772 ( 2.330 4.378 1.621) 5.218 7.860 ( -0.409 0.750 -0.034) 0.855 7.998 ( 0.590 2.334 1.871) 3.049 8.629 ( -4.064 -0.871 -9.675) 10.530 8.955 ( -1.235 0.085 0.888) 1.524 8.981 ( 0.382 -5.895 3.787) 7.017 9.308 ( -1.705 -3.085 1.499) 3.830 9.398 ( 0.693 0.022 3.636) 3.701 9.452 ( -3.839 5.630 -2.048) 7.115 9.547 ( 2.415 4.151 0.599) 4.840 9.822 ( 4.998 -5.677 -0.651) 7.591 10.013 ( 1.653 7.147 -1.184) 7.431 10.118 ( -2.427 6.798 -3.658) 8.093 10.260 ( 3.813 -2.614 5.058) 6.852 10.461 ( -2.619 5.564 -1.154) 6.257 10.775 ( 2.266 8.917 -4.417) 10.206 10.944 ( -2.850 3.132 3.656) 5.594 11.321 ( -2.142 -3.439 0.651) 4.103 11.470 ( -2.330 2.933 -2.831) 4.695 11.595 ( 0.144 7.369 -4.647) 8.713 11.694 ( 2.556 1.559 2.952) 4.204 11.975 ( 8.377 2.616 2.010) 9.003 12.072 ( -0.706 -2.252 -1.115) 2.611 12.280 ( -3.451 3.407 1.183) 4.992 12.403 ( -1.885 -8.612 -1.555) 8.952 12.472 ( -1.768 -1.249 -4.123) 4.657 12.615 ( 3.167 -1.549 5.806) 6.793 12.868 ( -0.657 2.045 -0.753) 2.275 13.296 ( -3.930 2.806 -2.151) 5.286 13.445 ( 5.370 -4.686 3.711) 8.035 13.527 ( -1.313 -4.132 2.819) 5.171 13.955 ( -0.925 8.543 -1.578) 8.737 14.398 ( 6.216 -3.237 -2.654) 7.494 14.552 ( -4.426 0.955 0.761) 4.591 15.077 ( 0.195 -7.872 3.103) 8.464 15.240 ( -0.386 -6.197 0.869) 6.269 15.410 ( 0.101 -2.006 0.747) 2.143 15.563 ( 0.307 -8.531 1.562) 8.678 16.094 ( -5.337 0.576 -8.187) 9.790 16.271 ( 6.318 6.070 6.982) 11.204 16.321 ( -1.691 3.960 1.237) 4.480 16.682 ( 0.735 -14.588 -3.033) 14.918 17.086 ( 1.471 -3.600 -1.145) 4.054 17.223 ( -0.318 -4.359 0.865) 4.455 17.420 ( -1.595 1.952 -1.019) 2.719 17.554 ( -0.277 -0.247 1.865) 1.901 20.090 ( -1.087 -3.497 -2.641) 4.515 20.247 ( 2.379 -8.263 -5.019) 9.957 20.459 ( -2.092 9.497 3.032) 10.186 20.751 ( 1.852 7.894 -1.606) 8.266 22.455 ( -0.418 -13.821 2.660) 14.080 22.752 ( -1.185 0.520 -2.016) 2.396 22.858 ( -0.266 -0.954 3.779) 3.907 23.231 ( 1.286 10.090 -1.666) 10.307 27.750 ( 1.150 -20.763 -0.209) 20.796 27.808 ( -2.343 -23.930 2.123) 24.138 28.473 ( 0.169 23.633 0.541) 23.640 29.238 ( 2.022 12.871 -6.897) 14.741 30.828 ( -0.459 -5.943 3.435) 6.880 30.912 ( -0.949 -7.244 0.766) 7.346 31.075 ( 2.061 -14.123 0.689) 14.289 31.396 ( -0.442 -1.693 -0.976) 2.004 31.543 ( -1.699 1.622 -0.510) 2.404 31.611 ( 0.704 7.384 2.222) 7.743 31.704 ( 2.452 9.043 -0.756) 9.400 32.865 ( 4.659 -2.067 -5.792) 7.715 33.234 ( 0.783 4.275 0.284) 4.355 33.312 ( -0.758 -2.257 -2.000) 3.110 33.470 ( 1.677 4.462 -12.624) 13.494 33.720 ( 4.079 10.869 0.913) 11.645 35.404 ( -1.905 -1.108 2.351) 3.222 35.521 ( -0.684 -1.238 1.193) 1.850 35.655 ( -5.779 -1.398 7.024) 9.202 36.038 ( 2.139 -0.188 -3.717) 4.293 36.272 ( -0.629 -1.329 0.762) 1.656 36.424 ( -6.799 0.720 9.450) 11.664 37.083 ( 0.139 -18.167 2.461) 18.333 38.372 ( 2.942 17.760 -4.655) 18.594 ======================= Grid point 91 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 9.866 10.057 12.416) 18.779 2.046 ( -0.256 18.639 5.527) 19.443 2.338 ( 5.765 -1.535 -2.444) 6.447 2.546 ( -6.173 -4.530 -4.815) 9.045 2.643 ( 2.555 -15.840 3.753) 16.478 2.872 ( 0.432 -4.271 -8.810) 9.801 3.110 ( 3.805 12.500 1.472) 13.149 3.243 ( 0.373 8.166 5.236) 9.707 3.427 ( 1.784 -0.036 -7.207) 7.425 3.487 ( 2.131 3.351 -0.832) 4.058 3.627 ( -3.499 -3.123 -4.668) 6.617 3.763 ( 6.962 15.183 1.163) 16.744 3.803 ( -4.508 2.154 -1.397) 5.188 3.923 ( -6.265 -2.043 -1.971) 6.878 4.046 ( 2.975 -1.188 -2.091) 3.825 4.382 ( 0.823 -2.335 6.887) 7.319 4.467 ( -4.356 -5.088 3.234) 7.438 4.800 ( 1.660 -4.416 -5.137) 6.975 4.879 ( -2.596 -3.341 -6.506) 7.761 4.939 ( -3.082 1.191 0.143) 3.307 5.175 ( 3.993 -2.334 1.013) 4.735 5.386 ( 4.987 -9.204 4.619) 11.442 5.487 ( -1.827 -0.751 -7.537) 7.792 5.546 ( -3.628 2.998 2.110) 5.158 5.780 ( 0.138 -0.635 5.220) 5.260 5.952 ( 1.219 4.554 0.500) 4.741 6.005 ( -2.324 1.971 2.989) 4.269 6.269 ( -2.826 -3.238 3.412) 5.487 6.565 ( 2.893 2.362 -4.299) 5.695 6.629 ( -5.027 -2.403 -5.700) 7.971 7.788 ( 7.020 0.165 7.006) 9.919 7.834 ( -3.382 -0.557 -1.177) 3.624 8.069 ( 7.708 -1.641 4.955) 9.309 8.536 ( -4.493 0.470 -8.966) 10.039 8.957 ( -0.252 1.495 0.182) 1.527 9.061 ( -1.427 -3.527 0.652) 3.860 9.204 ( -6.667 4.001 -0.125) 7.776 9.383 ( 0.077 0.199 -0.796) 0.824 9.439 ( 3.451 4.212 2.933) 6.185 9.567 ( 1.200 -5.301 0.427) 5.452 9.854 ( -4.048 6.348 -4.372) 8.706 9.977 ( -0.770 -1.995 2.586) 3.356 10.059 ( 6.261 -1.715 1.161) 6.594 10.301 ( -3.306 4.856 -0.387) 5.888 10.371 ( 3.423 -0.972 2.454) 4.322 10.623 ( 1.061 4.521 -4.067) 6.173 10.913 ( -2.436 -0.187 3.590) 4.343 11.335 ( -1.722 0.384 1.063) 2.060 11.388 ( -2.856 1.907 -1.428) 3.719 11.464 ( -0.829 3.603 -2.921) 4.711 11.683 ( 2.522 3.622 2.054) 4.868 11.912 ( 1.567 6.264 -1.286) 6.584 12.206 ( 2.250 -4.841 1.162) 5.463 12.236 ( 2.294 -1.545 2.482) 3.716 12.452 ( -0.349 -5.792 -3.773) 6.921 12.624 ( -1.687 -10.574 -2.916) 11.098 12.662 ( -2.547 -1.950 0.652) 3.274 12.721 ( -2.567 10.396 -1.489) 10.811 13.234 ( -2.302 0.899 1.005) 2.668 13.551 ( 0.995 -2.064 -0.400) 2.326 13.707 ( 7.421 -6.622 5.591) 11.409 13.793 ( 0.945 6.574 0.357) 6.651 14.276 ( -0.494 8.383 -0.228) 8.400 14.661 ( 1.639 -4.517 1.179) 4.948 15.159 ( -2.724 1.372 2.890) 4.202 15.344 ( 4.957 -4.770 -2.289) 7.250 15.420 ( -4.178 -4.015 -1.371) 5.954 15.627 ( -4.233 1.326 -1.124) 4.576 16.042 ( 0.966 -0.627 0.504) 1.257 16.228 ( -1.799 3.622 1.613) 4.354 16.291 ( 5.474 3.913 4.862) 8.301 16.890 ( -2.218 -11.725 -8.703) 14.770 17.152 ( 2.542 -2.284 -1.258) 3.642 17.305 ( 0.733 -2.816 3.081) 4.238 17.334 ( -1.417 3.916 -1.097) 4.307 17.553 ( -1.280 0.953 1.489) 2.183 20.175 ( 0.736 -7.536 -3.039) 8.159 20.209 ( 0.627 9.788 0.990) 9.858 20.487 ( 0.936 -9.657 -1.808) 9.869 20.621 ( 0.989 6.479 -1.118) 6.649 22.579 ( -2.236 10.960 2.430) 11.447 22.694 ( -2.375 -11.319 1.301) 11.639 23.004 ( 1.426 0.505 -2.313) 2.764 23.055 ( 0.904 0.350 -0.477) 1.081 28.058 ( 0.560 21.915 1.879) 22.002 28.146 ( 4.483 -18.050 1.461) 18.656 28.224 ( -2.644 -23.584 1.263) 23.765 28.946 ( -4.403 12.183 -13.654) 18.821 30.950 ( 1.320 -2.980 5.873) 6.717 31.022 ( -1.258 -4.587 0.429) 4.775 31.239 ( 0.796 -0.972 -0.898) 1.544 31.372 ( -1.180 2.162 -1.148) 2.718 31.473 ( 3.348 2.584 -0.016) 4.229 31.597 ( -2.071 -0.536 4.188) 4.703 31.653 ( 9.165 -0.639 1.583) 9.323 32.732 ( 3.776 12.519 -14.499) 19.524 33.115 ( -0.780 6.124 2.504) 6.662 33.304 ( -0.025 -0.944 -0.774) 1.221 33.477 ( -1.027 1.427 -1.831) 2.538 33.639 ( 2.122 -2.637 -0.583) 3.435 35.415 ( -1.735 -0.006 3.072) 3.528 35.533 ( -0.470 0.181 0.894) 1.026 35.666 ( -4.714 -0.126 6.136) 7.739 36.045 ( 2.568 -0.723 -2.941) 3.971 36.308 ( -2.069 -3.011 1.609) 3.992 36.407 ( -7.572 0.730 9.090) 11.854 37.410 ( 3.819 -14.077 -0.493) 14.594 38.075 ( 1.228 12.123 -5.786) 13.489 ======================= Grid point 92 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 3.116 20.415 15.445) 25.789 1.854 ( 21.691 9.746 19.761) 30.919 2.289 ( -6.917 7.647 -0.285) 10.315 2.502 ( -3.424 5.811 -5.948) 8.993 2.736 ( -4.000 4.413 1.907) 6.254 2.870 ( 0.400 6.677 4.328) 7.967 2.968 ( 14.892 7.754 2.174) 16.930 3.235 ( 6.460 -3.187 0.187) 7.206 3.297 ( 2.444 13.798 0.003) 14.013 3.452 ( 0.602 -1.263 -7.099) 7.235 3.556 ( 5.395 3.556 -7.320) 9.764 3.669 ( 0.704 4.785 -2.838) 5.608 3.699 ( -4.590 -6.732 -4.115) 9.128 3.939 ( -8.292 -7.815 1.926) 11.556 4.109 ( 2.782 -0.904 -1.657) 3.362 4.408 ( -4.510 -0.606 -0.227) 4.556 4.578 ( -7.731 -7.822 3.206) 11.455 4.818 ( -1.571 -3.995 -3.206) 5.358 4.898 ( -0.660 1.940 -0.512) 2.112 4.972 ( 1.377 -6.762 -3.811) 7.883 5.261 ( 1.673 -3.529 -0.725) 3.972 5.421 ( -1.576 2.402 -6.593) 7.191 5.543 ( 6.508 -1.510 3.026) 7.334 5.631 ( -1.480 -9.723 1.921) 10.021 5.771 ( -5.997 2.132 1.092) 6.458 5.846 ( 3.993 8.543 0.704) 9.456 6.006 ( -0.473 0.051 10.538) 10.549 6.308 ( -4.176 -4.244 -1.777) 6.214 6.505 ( 2.876 4.337 -2.222) 5.658 6.556 ( -6.574 -0.573 -9.818) 11.830 7.818 ( -2.171 -0.127 0.140) 2.179 7.930 ( 9.748 -1.653 9.311) 13.582 8.142 ( 0.242 -1.372 0.569) 1.505 8.475 ( -3.101 -1.104 -3.655) 4.919 8.919 ( 1.622 2.548 1.417) 3.337 9.085 ( 1.356 1.114 1.827) 2.533 9.181 ( -3.160 -4.191 1.195) 5.383 9.362 ( 3.575 2.325 -2.316) 4.853 9.445 ( 0.756 -0.963 2.651) 2.920 9.550 ( -2.790 5.691 -4.882) 8.000 9.809 ( 1.892 -4.067 0.951) 4.585 10.023 ( 2.508 5.418 -0.526) 5.993 10.029 ( -10.643 -6.905 0.037) 12.687 10.240 ( 4.368 4.814 -0.223) 6.504 10.433 ( 2.529 -2.743 3.184) 4.904 10.635 ( 0.818 -4.993 -1.446) 5.262 10.960 ( -2.223 -4.124 2.901) 5.511 11.298 ( -0.752 3.352 4.303) 5.506 11.391 ( -0.079 -4.269 1.521) 4.533 11.424 ( 2.422 0.669 -1.337) 2.846 11.643 ( 2.504 3.260 0.501) 4.141 11.788 ( 0.356 6.642 -3.841) 7.681 12.261 ( 2.996 -1.099 -1.782) 3.656 12.335 ( 0.543 -1.888 4.075) 4.523 12.484 ( -2.789 6.786 -0.859) 7.387 12.574 ( -0.842 -5.448 -3.329) 6.440 12.679 ( -0.230 -4.990 -0.717) 5.046 12.767 ( -4.430 -8.097 -4.901) 10.450 13.240 ( -1.054 -1.521 4.251) 4.636 13.553 ( -0.112 1.495 -0.891) 1.744 13.650 ( 2.878 6.304 -0.280) 6.935 13.866 ( 1.081 1.732 -3.299) 3.880 14.251 ( 6.873 -2.469 9.171) 11.723 14.690 ( 1.177 2.950 1.654) 3.581 15.066 ( -0.597 7.325 2.755) 7.848 15.330 ( -6.291 2.676 -6.802) 9.644 15.477 ( -1.835 -0.077 -2.954) 3.478 15.614 ( -0.565 -8.482 -2.597) 8.889 15.993 ( -0.011 9.279 3.286) 9.844 16.175 ( 3.882 5.711 7.696) 10.340 16.350 ( 1.247 -6.465 -1.629) 6.783 16.937 ( -4.946 -3.284 -12.854) 14.159 17.141 ( -1.463 3.347 -0.201) 3.658 17.268 ( -0.293 1.367 -2.201) 2.608 17.383 ( 3.658 -0.512 2.862) 4.673 17.523 ( -1.932 1.566 1.108) 2.723 20.062 ( 0.719 7.829 3.563) 8.632 20.289 ( 3.897 -2.606 -5.122) 6.944 20.518 ( -2.450 -0.750 1.579) 3.010 20.696 ( 1.780 -10.538 -1.775) 10.834 22.362 ( -1.773 12.670 2.830) 13.103 22.784 ( 3.096 9.819 -2.984) 10.719 22.877 ( -5.661 -6.133 1.330) 8.452 23.223 ( 1.257 -10.019 -2.406) 10.380 27.674 ( 1.048 21.975 2.868) 22.186 28.308 ( -7.193 9.724 -14.522) 18.900 28.625 ( -0.482 -21.717 1.686) 21.788 28.768 ( 0.523 -12.151 -3.192) 12.574 30.933 ( -0.340 5.366 0.246) 5.382 31.086 ( -2.814 -0.580 4.178) 5.070 31.151 ( -1.913 6.560 -1.356) 6.966 31.369 ( 6.223 2.422 4.763) 8.202 31.522 ( -1.174 -4.931 -0.364) 5.082 31.612 ( -2.603 -5.785 2.241) 6.728 31.804 ( 13.354 -0.318 -2.297) 13.554 32.477 ( 9.373 9.323 -11.488) 17.514 33.057 ( 5.570 3.953 4.923) 8.419 33.248 ( 0.523 8.157 1.309) 8.278 33.451 ( -1.842 -2.385 1.342) 3.299 33.759 ( 1.000 -8.784 -5.567) 10.448 35.412 ( -1.526 0.946 3.223) 3.689 35.517 ( -0.594 1.671 1.100) 2.087 35.656 ( -3.158 1.174 4.617) 5.715 36.067 ( 2.149 -1.000 -1.924) 3.053 36.357 ( -3.968 -3.617 0.587) 5.401 36.390 ( -8.390 -0.221 10.332) 13.311 37.482 ( -7.316 5.940 -2.063) 9.647 38.044 ( 8.538 -9.267 -3.566) 13.095 ======================= Grid point 96 (43/114) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 1.693 -0.000 3.802) 4.162 2.017 ( 16.358 -0.000 11.122) 19.781 2.110 ( 6.295 -0.000 1.562) 6.486 2.560 ( -0.592 0.000 -5.391) 5.423 2.803 ( 8.299 -0.000 -8.005) 11.530 2.837 ( -6.124 0.000 -13.045) 14.410 2.957 ( 3.737 -0.000 1.259) 3.944 2.987 ( 0.126 -0.000 -1.919) 1.923 3.238 ( 1.525 -0.000 -3.555) 3.868 3.292 ( -9.686 0.000 1.847) 9.861 3.481 ( 1.834 -0.000 -5.781) 6.065 3.618 ( 3.434 -0.000 -2.258) 4.110 3.755 ( 2.470 -0.000 -3.770) 4.507 3.856 ( 4.113 -0.000 0.319) 4.126 4.012 ( -20.153 0.000 4.002) 20.547 4.222 ( -1.393 0.000 7.821) 7.944 4.302 ( -3.417 0.000 5.371) 6.366 4.823 ( -2.497 0.000 1.131) 2.741 4.905 ( -2.900 0.000 3.931) 4.885 5.023 ( 0.561 -0.000 1.347) 1.460 5.081 ( 3.134 -0.000 -2.833) 4.225 5.487 ( -1.796 0.000 -2.302) 2.920 5.564 ( -1.274 0.000 -3.642) 3.859 5.747 ( 6.613 -0.000 2.205) 6.971 5.824 ( 6.133 -0.000 3.459) 7.041 5.945 ( 9.198 -0.000 -2.781) 9.610 6.179 ( -2.277 0.000 2.481) 3.368 6.302 ( -1.819 0.000 -1.900) 2.630 6.593 ( 2.420 -0.000 2.500) 3.480 6.605 ( -1.498 0.000 1.304) 1.986 7.912 ( 4.488 -0.000 1.976) 4.904 8.134 ( 5.057 -0.000 3.647) 6.235 8.252 ( -8.711 0.000 -3.009) 9.216 8.450 ( -3.931 0.000 -3.342) 5.160 8.771 ( -4.938 0.000 -0.713) 4.989 8.938 ( 0.423 -0.000 1.904) 1.950 9.287 ( 0.287 -0.000 0.513) 0.588 9.449 ( 2.374 -0.000 1.295) 2.705 9.513 ( -0.729 0.000 -2.625) 2.724 9.589 ( 5.416 -0.000 -1.739) 5.688 9.803 ( 2.616 -0.000 0.823) 2.743 10.058 ( 2.866 -0.000 -0.175) 2.871 10.327 ( -2.394 0.000 -1.268) 2.709 10.373 ( -3.569 0.000 -1.234) 3.776 10.670 ( 4.474 -0.000 3.606) 5.746 11.019 ( -0.065 0.000 7.494) 7.494 11.081 ( 5.237 -0.000 -2.648) 5.869 11.178 ( -0.075 0.000 -1.879) 1.880 11.417 ( 3.153 -0.000 1.420) 3.458 11.648 ( 4.611 -0.000 -0.544) 4.643 11.929 ( -10.563 0.000 3.770) 11.216 11.947 ( 5.001 -0.000 4.213) 6.539 12.128 ( -2.551 0.000 -4.198) 4.912 12.317 ( -0.146 0.000 -1.936) 1.942 12.471 ( -11.840 0.000 -4.984) 12.846 12.625 ( 17.172 -0.000 -2.449) 17.346 12.834 ( -3.476 0.000 -5.003) 6.092 12.998 ( -0.507 0.000 -1.927) 1.992 13.347 ( -1.067 0.000 5.447) 5.550 13.369 ( -2.948 0.000 -2.455) 3.837 13.607 ( 4.034 -0.000 2.663) 4.833 13.712 ( 0.987 -0.000 1.612) 1.890 14.257 ( -3.746 0.000 -5.574) 6.716 14.463 ( -0.882 0.000 -1.155) 1.453 14.537 ( -0.429 0.000 -2.099) 2.143 14.816 ( -1.831 0.000 4.639) 4.987 15.020 ( 0.537 -0.000 -0.460) 0.707 15.254 ( 0.643 -0.000 -1.047) 1.228 15.948 ( -0.773 0.000 -4.131) 4.203 16.516 ( 2.344 -0.000 -1.516) 2.791 16.550 ( 0.461 -0.000 2.227) 2.275 16.630 ( 0.653 -0.000 2.442) 2.528 16.905 ( -0.783 0.000 -0.555) 0.959 16.983 ( -0.554 0.000 -0.547) 0.779 17.222 ( 0.040 -0.000 -0.081) 0.090 17.566 ( 0.611 -0.000 2.004) 2.095 19.939 ( -1.170 0.000 -4.414) 4.567 20.149 ( -1.357 0.000 0.818) 1.584 20.947 ( -0.882 0.000 0.918) 1.273 20.993 ( -0.870 0.000 0.004) 0.870 21.935 ( 0.168 -0.000 2.707) 2.713 22.393 ( 2.264 -0.000 -1.433) 2.680 23.250 ( -0.798 0.000 2.409) 2.538 23.512 ( 1.672 -0.000 -1.491) 2.241 26.968 ( -0.107 0.000 0.064) 0.125 26.974 ( -0.057 0.000 -0.044) 0.072 29.426 ( -0.636 0.000 -0.874) 1.081 29.668 ( 3.847 -0.000 -0.330) 3.861 30.289 ( -1.946 0.000 -1.753) 2.619 30.682 ( -2.679 0.000 1.903) 3.286 30.687 ( -2.244 0.000 -0.093) 2.246 31.300 ( -2.226 0.000 -2.158) 3.100 31.419 ( -2.051 0.000 1.089) 2.322 32.043 ( 0.970 -0.000 -0.715) 1.206 32.228 ( 1.320 -0.000 -0.322) 1.358 32.473 ( 3.786 -0.000 -0.359) 3.803 32.777 ( 3.873 -0.000 -1.288) 4.082 33.459 ( -4.885 0.000 4.191) 6.437 33.934 ( 5.885 -0.000 -10.905) 12.392 34.327 ( 27.951 -0.000 -36.712) 46.141 35.315 ( -1.079 0.000 1.207) 1.619 35.527 ( 0.415 -0.000 -1.361) 1.423 35.609 ( -5.863 0.000 5.975) 8.372 35.965 ( 3.048 -0.000 -3.126) 4.366 36.240 ( -10.593 0.000 5.869) 12.110 36.291 ( -3.866 0.000 -1.308) 4.082 36.598 ( -15.201 0.000 29.751) 33.410 39.010 ( 4.795 -0.000 0.717) 4.848 ======================= Grid point 97 (44/114) ======================= q-point: (-0.50 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -2.562 -4.527 3.769) 6.423 1.903 ( -5.880 16.503 1.212) 17.561 2.241 ( 5.430 -7.396 0.866) 9.216 2.642 ( -6.710 -4.255 -6.490) 10.259 2.726 ( 11.053 -4.479 -8.074) 14.403 2.770 ( 6.255 -0.883 -6.363) 8.966 2.995 ( 1.744 1.471 -5.561) 6.011 3.140 ( 0.655 2.322 -1.426) 2.802 3.221 ( 4.272 -10.144 2.223) 11.229 3.329 ( -8.182 -13.736 -4.717) 16.669 3.513 ( 5.001 -2.947 -4.649) 7.437 3.610 ( 4.234 2.603 -1.512) 5.195 3.743 ( 3.748 1.599 -3.047) 5.088 3.914 ( 4.157 -1.704 0.965) 4.595 3.930 ( -13.456 -2.714 7.295) 15.545 4.255 ( -2.040 0.951 11.921) 12.132 4.347 ( -2.642 -4.093 3.967) 6.283 4.801 ( -2.573 0.424 -0.830) 2.737 4.883 ( -2.493 2.798 1.700) 4.115 5.001 ( -3.488 0.964 -3.528) 5.054 5.101 ( 4.718 -0.919 4.102) 6.319 5.396 ( -2.705 4.447 -4.865) 7.125 5.625 ( 2.378 -6.740 -1.775) 7.364 5.763 ( 0.472 2.107 0.070) 2.161 5.919 ( 4.477 -0.902 1.222) 4.727 5.993 ( 1.515 2.747 0.593) 3.192 6.153 ( 0.516 -1.165 1.601) 2.046 6.226 ( 0.215 5.419 0.050) 5.423 6.527 ( -1.455 7.798 2.524) 8.324 6.637 ( 1.273 -1.387 1.298) 2.286 7.891 ( -0.247 3.273 -3.076) 4.498 8.092 ( -0.303 6.855 2.252) 7.222 8.169 ( -0.337 4.523 0.917) 4.628 8.461 ( -4.195 -5.781 -7.302) 10.214 8.791 ( 2.090 -2.240 5.573) 6.360 8.998 ( 0.953 -3.420 3.882) 5.260 9.192 ( -0.305 6.540 1.795) 6.789 9.443 ( -1.176 0.936 -2.269) 2.722 9.569 ( 2.104 -3.084 2.282) 4.376 9.595 ( 0.683 0.594 -3.933) 4.035 9.815 ( 2.327 1.517 0.698) 2.864 10.060 ( -1.998 -1.209 -5.386) 5.871 10.268 ( -0.942 1.516 -1.612) 2.405 10.379 ( -1.346 -1.535 -5.439) 5.809 10.625 ( 0.283 7.983 6.017) 10.000 11.020 ( -2.115 2.205 1.979) 3.640 11.085 ( 2.831 3.861 -1.721) 5.088 11.168 ( -2.271 -2.509 -0.596) 3.436 11.454 ( 1.069 -1.738 -0.693) 2.155 11.683 ( 5.194 0.240 1.919) 5.542 11.831 ( -9.045 3.400 -1.682) 9.808 11.985 ( -2.603 -2.692 -1.720) 4.121 12.139 ( 8.578 1.356 5.296) 10.172 12.336 ( -3.162 2.198 -5.222) 6.488 12.433 ( 5.229 -1.583 3.799) 6.654 12.557 ( 6.094 11.475 -1.133) 13.043 12.782 ( -0.802 0.276 1.121) 1.406 12.820 ( -0.937 12.251 -3.907) 12.894 13.289 ( -2.919 1.653 -1.474) 3.664 13.388 ( 0.066 -1.489 5.435) 5.636 13.640 ( 0.172 5.610 -0.065) 5.613 13.834 ( -4.491 -16.241 -4.318) 17.395 14.235 ( 7.200 4.514 4.906) 9.812 14.567 ( 1.178 -12.001 -0.342) 12.063 14.735 ( 3.568 -11.612 -0.930) 12.183 14.916 ( -3.808 -13.437 4.344) 14.626 15.067 ( 1.397 -3.755 1.814) 4.398 15.253 ( -0.226 -2.310 -0.903) 2.491 15.988 ( -1.752 -8.150 -8.965) 12.242 16.450 ( -0.958 4.485 -2.605) 5.274 16.500 ( 3.433 7.159 5.903) 9.893 16.593 ( -0.501 7.062 2.647) 7.558 16.925 ( 0.755 -3.856 -0.485) 3.959 17.048 ( -0.370 -5.376 -0.073) 5.389 17.295 ( 0.432 -6.373 0.126) 6.389 17.567 ( -1.370 0.360 0.782) 1.618 19.957 ( 0.926 -4.935 -4.671) 6.858 20.102 ( -3.079 2.194 -2.806) 4.708 20.837 ( -1.576 8.882 1.271) 9.109 20.982 ( 0.315 2.869 -1.225) 3.136 22.022 ( -0.234 -7.657 3.698) 8.506 22.462 ( 1.497 -6.598 -1.705) 6.977 23.175 ( -1.637 8.199 2.958) 8.868 23.483 ( 1.344 3.588 -1.757) 4.215 27.084 ( -0.830 -12.665 0.658) 12.709 27.099 ( 0.514 -13.121 -0.281) 13.134 29.237 ( 0.207 17.165 -0.381) 17.171 29.630 ( 1.185 6.374 -2.827) 7.073 30.448 ( 2.391 -14.944 0.955) 15.164 30.691 ( -1.450 -2.042 2.743) 3.715 30.720 ( -0.128 -3.541 2.227) 4.185 31.305 ( -0.005 -2.482 -1.065) 2.701 31.438 ( -2.051 -3.046 0.692) 3.737 31.954 ( 0.712 8.578 -0.496) 8.622 32.118 ( 0.995 10.382 -1.975) 10.615 32.584 ( 1.916 -8.559 -0.702) 8.798 32.903 ( 2.291 -10.154 -1.608) 10.532 33.429 ( -3.727 2.525 5.178) 6.861 33.862 ( 7.965 6.350 -16.317) 19.236 34.188 ( 17.585 12.904 -27.068) 34.763 35.335 ( -0.992 -1.949 1.566) 2.689 35.502 ( -0.725 1.212 0.664) 1.561 35.602 ( -6.375 -0.923 6.389) 9.073 36.009 ( 2.454 -2.223 -3.975) 5.174 36.252 ( 0.002 -1.404 0.265) 1.428 36.295 ( -5.051 -7.111 -0.332) 8.729 36.672 ( -12.304 -1.811 30.438) 32.881 38.933 ( 0.901 10.194 -2.428) 10.518 ======================= Grid point 98 (45/114) ======================= q-point: (-0.38 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -8.035 -3.715 -2.821) 9.291 1.935 ( -5.366 -6.663 1.740) 8.730 2.347 ( 4.008 -0.401 -3.121) 5.096 2.508 ( -1.861 2.200 -9.664) 10.085 2.792 ( 4.775 3.166 -5.849) 8.187 2.854 ( -3.537 8.748 -1.038) 9.492 2.990 ( 7.637 -8.995 -1.713) 11.923 3.205 ( -2.129 -15.725 1.684) 15.957 3.409 ( -2.570 -4.316 -5.973) 7.804 3.471 ( 6.756 -4.430 -4.027) 9.027 3.560 ( 9.161 0.515 -2.364) 9.475 3.682 ( -2.675 -9.587 -3.433) 10.528 3.763 ( 5.312 -1.640 1.200) 5.688 3.941 ( -4.001 -0.272 10.812) 11.532 3.986 ( -1.336 -4.326 -1.912) 4.915 4.303 ( -1.597 -0.170 13.204) 13.301 4.430 ( -2.999 -4.452 2.831) 6.068 4.715 ( -4.788 2.237 -5.993) 7.991 4.813 ( 0.025 1.590 -3.176) 3.552 5.017 ( 0.309 -3.652 3.555) 5.106 5.186 ( 4.229 -0.755 4.610) 6.302 5.248 ( -1.115 6.933 -3.659) 7.919 5.641 ( -2.790 7.103 -4.762) 8.995 5.799 ( 0.015 -7.653 -0.533) 7.671 5.828 ( 0.236 9.654 3.620) 10.313 5.890 ( -3.117 5.488 -3.586) 7.259 6.159 ( 5.895 4.180 6.213) 9.530 6.304 ( -1.694 -8.423 -3.008) 9.103 6.371 ( -2.035 7.124 4.361) 8.598 6.660 ( 0.165 0.105 -0.128) 0.234 7.811 ( -1.497 1.837 -3.154) 3.945 7.981 ( 1.391 7.388 4.562) 8.794 8.116 ( 7.802 4.719 3.775) 9.868 8.447 ( -8.168 -4.498 -12.513) 15.605 8.901 ( 0.127 -4.401 3.247) 5.470 9.006 ( 2.281 3.840 1.521) 4.719 9.235 ( 0.591 -4.952 6.671) 8.329 9.404 ( -1.436 0.465 -1.157) 1.902 9.517 ( -3.379 4.873 -3.537) 6.905 9.597 ( 0.037 0.312 -0.305) 0.438 9.862 ( 9.631 -0.602 5.175) 10.950 10.012 ( -4.873 -0.690 -7.828) 9.246 10.193 ( -2.515 4.250 -5.163) 7.144 10.338 ( 1.135 3.682 2.701) 4.705 10.514 ( -3.987 5.051 0.865) 6.493 10.919 ( -0.474 8.013 -4.249) 9.083 10.994 ( -3.485 2.998 1.517) 4.841 11.230 ( -0.535 -4.406 -0.107) 4.440 11.454 ( -3.108 0.458 -4.813) 5.747 11.670 ( -2.628 5.657 -6.404) 8.940 11.740 ( 2.643 -0.706 5.766) 6.383 12.054 ( 1.755 -6.059 1.206) 6.422 12.118 ( -2.688 6.944 -4.979) 8.957 12.247 ( 7.756 4.349 3.615) 9.599 12.371 ( -0.242 1.668 1.866) 2.515 12.510 ( -2.840 8.347 -1.125) 8.889 12.700 ( 6.088 2.482 5.927) 8.852 12.823 ( 0.756 -3.686 0.006) 3.763 13.265 ( -1.015 -1.192 -1.758) 2.354 13.477 ( 0.178 -3.549 4.415) 5.667 13.526 ( 2.955 4.628 3.296) 6.404 13.958 ( -8.866 -5.254 -6.241) 12.048 14.324 ( 11.228 -4.066 5.751) 13.254 14.638 ( -0.858 6.187 -5.193) 8.123 14.918 ( -0.907 -11.557 5.064) 12.650 15.152 ( -0.517 -4.385 2.320) 4.988 15.279 ( 2.901 -15.554 4.218) 16.375 15.395 ( 2.178 -11.633 2.206) 12.039 16.020 ( -2.695 -1.532 -9.908) 10.382 16.366 ( -4.486 1.531 -4.302) 6.401 16.450 ( 3.456 5.828 7.051) 9.779 16.511 ( 3.429 -0.673 2.336) 4.204 17.021 ( 1.940 -4.668 -0.053) 5.055 17.136 ( -0.380 -5.201 0.164) 5.218 17.395 ( 0.062 -3.229 -0.751) 3.316 17.550 ( -2.157 -0.103 0.641) 2.253 20.028 ( -2.470 -0.050 -4.781) 5.382 20.072 ( 3.072 -8.708 -5.043) 10.521 20.653 ( -1.918 10.824 1.989) 11.171 20.887 ( 1.025 6.866 -1.702) 7.148 22.228 ( -0.759 -12.533 4.242) 13.253 22.608 ( 0.983 -9.254 -2.248) 9.574 23.004 ( -2.838 10.095 3.720) 11.126 23.385 ( 1.169 7.215 -2.028) 7.585 27.380 ( -2.364 -20.333 0.979) 20.493 27.420 ( 3.692 -20.198 0.955) 20.555 28.892 ( 1.748 21.659 1.079) 21.756 29.423 ( -2.878 12.542 -7.140) 14.716 30.740 ( 2.649 -7.843 2.659) 8.694 30.782 ( -0.160 -9.024 3.811) 9.797 30.854 ( 3.054 -10.732 3.830) 11.797 31.364 ( 1.995 -2.861 0.355) 3.506 31.485 ( -2.103 -3.292 -0.150) 3.909 31.789 ( 0.595 9.491 0.559) 9.526 31.912 ( 1.670 11.479 -1.912) 11.756 32.749 ( 0.456 -8.673 -2.470) 9.029 33.100 ( 0.680 -11.417 -3.378) 11.926 33.373 ( -1.900 4.719 5.654) 7.606 33.605 ( 6.912 14.657 -27.189) 31.652 33.949 ( 5.669 11.555 -6.196) 14.285 35.374 ( -1.291 -2.020 2.108) 3.192 35.501 ( -0.725 -0.952 1.227) 1.714 35.616 ( -5.963 -1.926 6.514) 9.039 36.022 ( 1.622 -0.637 -3.960) 4.326 36.257 ( 0.032 -0.218 -0.028) 0.222 36.406 ( -2.769 -4.252 3.221) 6.010 36.858 ( -3.415 -10.634 20.249) 23.124 38.663 ( -1.148 16.279 -5.955) 17.372 ======================= Grid point 99 (46/114) ======================= q-point: (-0.25 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -0.901 -14.820 -1.517) 14.925 2.065 ( -4.482 -12.195 -2.089) 13.160 2.347 ( 6.701 2.407 2.047) 7.409 2.482 ( 0.241 -4.649 -12.782) 13.604 2.625 ( 0.886 11.427 4.613) 12.355 2.723 ( -1.740 -0.768 -2.868) 3.441 3.215 ( 4.149 -7.233 -3.353) 8.987 3.360 ( -2.311 -3.914 -1.055) 4.666 3.418 ( -1.032 6.504 6.655) 9.363 3.470 ( 3.946 0.534 -7.911) 8.857 3.624 ( 6.540 -1.270 -1.730) 6.883 3.787 ( -5.573 -4.728 -3.503) 8.105 3.802 ( -0.193 0.294 -3.052) 3.072 3.967 ( -1.497 2.488 9.196) 9.644 4.029 ( 1.402 -2.247 -0.603) 2.716 4.317 ( -11.319 -1.985 3.843) 12.118 4.469 ( 0.383 0.385 2.207) 2.273 4.720 ( 4.378 -4.284 -2.201) 6.509 4.796 ( -0.100 -1.378 -2.180) 2.581 5.058 ( 5.362 10.444 0.739) 11.763 5.154 ( 3.203 -6.122 1.952) 7.180 5.277 ( -0.732 -3.906 2.186) 4.535 5.469 ( -1.353 3.577 -4.326) 5.774 5.645 ( -1.181 9.963 0.402) 10.041 5.803 ( -0.097 1.005 2.498) 2.694 5.924 ( -1.770 -5.659 -2.049) 6.273 6.105 ( 0.941 7.530 1.305) 7.700 6.280 ( -1.315 2.481 8.695) 9.137 6.430 ( -5.009 -7.062 -6.450) 10.796 6.635 ( -0.353 2.091 -0.631) 2.213 7.795 ( 1.780 -0.887 -0.702) 2.109 7.930 ( 4.051 3.230 7.352) 8.994 8.146 ( 6.531 1.910 0.960) 6.872 8.390 ( -6.770 -3.766 -9.272) 12.082 8.962 ( -2.645 -4.030 0.265) 4.828 8.997 ( 3.622 1.386 0.005) 3.878 9.245 ( -4.964 3.791 -0.883) 6.308 9.391 ( 0.532 0.791 -1.878) 2.106 9.468 ( 1.224 -2.498 4.524) 5.311 9.567 ( 1.292 3.179 -1.981) 3.962 9.918 ( -0.645 4.170 -1.834) 4.601 9.931 ( -6.464 1.658 -4.294) 7.935 10.148 ( 8.651 -0.827 6.538) 10.875 10.321 ( -3.102 -1.171 2.950) 4.438 10.391 ( -2.774 4.598 -1.387) 5.546 10.726 ( -1.033 8.486 -5.910) 10.393 10.940 ( -1.934 2.375 2.873) 4.200 11.280 ( -1.984 -2.572 -3.147) 4.523 11.379 ( -3.203 0.025 -2.221) 3.898 11.533 ( 0.401 5.562 -3.967) 6.844 11.780 ( 0.996 3.164 5.485) 6.410 11.987 ( -4.075 2.108 -3.343) 5.677 12.203 ( 8.777 -3.397 5.562) 10.932 12.261 ( 0.082 -0.910 -0.105) 0.920 12.353 ( -1.324 1.604 -2.173) 3.008 12.425 ( 1.660 -4.162 -1.038) 4.599 12.682 ( -0.321 4.044 2.538) 4.786 12.836 ( -2.300 3.500 -1.276) 4.378 13.235 ( -1.536 1.459 -0.685) 2.227 13.504 ( 0.844 -2.777 -0.673) 2.979 13.702 ( 9.355 -6.522 10.444) 15.464 13.895 ( -3.149 2.488 -0.928) 4.119 14.420 ( -2.152 10.146 -3.910) 11.084 14.540 ( 3.929 -8.510 -0.019) 9.373 15.093 ( -3.017 -6.168 3.506) 7.709 15.245 ( 0.147 -6.039 0.657) 6.076 15.457 ( 2.509 0.084 3.151) 4.029 15.589 ( 0.389 -2.805 1.175) 3.066 15.962 ( -1.760 -3.133 -3.151) 4.779 16.283 ( -2.367 2.403 -1.730) 3.790 16.444 ( 2.774 2.181 4.155) 5.451 16.648 ( 3.398 -8.050 -1.867) 8.935 17.099 ( 0.494 -3.838 -0.910) 3.975 17.254 ( 2.914 -5.964 2.179) 6.986 17.377 ( -1.828 2.888 -1.739) 3.835 17.550 ( -2.170 -0.504 0.523) 2.288 20.036 ( -0.733 -5.440 -3.938) 6.755 20.241 ( 4.875 -8.559 -5.857) 11.460 20.464 ( -2.143 8.898 3.673) 9.862 20.750 ( 0.610 7.811 -1.863) 8.054 22.471 ( -1.973 -12.521 3.532) 13.158 22.719 ( -0.455 1.011 -0.828) 1.384 22.886 ( -0.777 -1.531 2.492) 3.026 23.227 ( 1.076 10.041 -2.173) 10.330 27.752 ( -3.960 -23.163 0.240) 23.500 27.862 ( 8.963 -21.645 3.599) 23.702 28.516 ( 2.659 23.378 2.694) 23.682 29.075 ( -7.512 15.502 -11.771) 20.864 30.879 ( 0.585 -6.504 4.323) 7.831 30.951 ( 1.927 -6.144 3.607) 7.381 31.126 ( 1.441 -10.745 2.534) 11.134 31.400 ( 1.247 1.333 -0.526) 1.900 31.506 ( -1.337 -0.846 -1.111) 1.933 31.648 ( -1.374 7.167 0.999) 7.365 31.786 ( 9.051 3.834 2.456) 10.132 32.804 ( -0.160 1.571 -12.088) 12.191 33.189 ( 0.800 5.902 -11.999) 13.396 33.293 ( -2.890 -5.144 1.674) 6.133 33.366 ( 0.481 0.605 -4.146) 4.218 33.780 ( 2.919 9.819 0.192) 10.245 35.406 ( -1.645 -1.274 2.722) 3.426 35.524 ( -0.445 -1.200 0.841) 1.531 35.645 ( -5.146 -1.806 6.493) 8.479 36.027 ( 2.136 -0.959 -4.112) 4.732 36.266 ( -0.735 -0.892 0.617) 1.310 36.427 ( -6.168 1.089 9.403) 11.298 37.190 ( 5.395 -15.184 7.561) 17.800 38.307 ( -1.867 16.899 -7.895) 18.745 ======================= Grid point 100 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 3.272 -7.874 0.505) 8.541 2.145 ( 4.793 6.723 7.497) 11.153 2.314 ( -6.873 4.284 -2.904) 8.604 2.468 ( 4.878 -1.886 -2.710) 5.890 2.688 ( 0.864 -7.393 2.930) 7.999 2.872 ( 3.904 -16.784 -1.048) 17.264 3.129 ( -2.689 16.005 1.668) 16.315 3.275 ( -0.400 4.684 -5.182) 6.997 3.413 ( 3.701 4.678 1.287) 6.102 3.468 ( 1.397 -5.302 -2.711) 6.116 3.576 ( -0.421 6.979 -6.537) 9.571 3.705 ( -0.166 1.506 -3.687) 3.987 3.780 ( -2.010 -0.236 -3.653) 4.176 3.902 ( 1.415 10.539 7.507) 13.016 4.098 ( -0.192 -2.245 3.666) 4.304 4.334 ( -3.939 -4.388 -3.219) 6.718 4.454 ( -4.783 -0.565 3.268) 5.821 4.747 ( 1.111 -0.048 -3.234) 3.420 4.865 ( 5.088 -4.358 -0.985) 6.771 4.988 ( 6.410 3.907 2.063) 7.785 5.272 ( 3.518 0.883 2.489) 4.399 5.308 ( -7.054 -5.563 -4.874) 10.221 5.489 ( -1.910 -2.504 -0.226) 3.157 5.575 ( 5.274 -3.426 3.556) 7.225 5.787 ( -2.824 2.156 0.958) 3.680 5.952 ( -2.692 1.153 -1.614) 3.343 6.032 ( 0.637 -0.589 4.680) 4.759 6.262 ( -3.142 2.335 4.290) 5.808 6.429 ( -4.609 -2.165 -7.323) 8.920 6.585 ( 1.497 3.335 -0.958) 3.778 7.819 ( 1.068 -0.282 0.452) 1.194 8.003 ( 2.963 -0.595 0.958) 3.170 8.137 ( 1.538 -0.949 2.690) 3.241 8.386 ( -2.495 -1.957 -2.331) 3.936 8.981 ( 0.201 1.289 -0.943) 1.610 9.052 ( 1.043 -5.237 0.107) 5.341 9.144 ( -0.871 2.370 0.573) 2.589 9.387 ( 1.802 -0.118 -0.988) 2.058 9.483 ( 2.864 3.015 -1.230) 4.337 9.590 ( 1.341 -1.850 -0.824) 2.429 9.747 ( -2.693 3.786 -0.666) 4.693 9.875 ( -10.415 -2.654 -0.381) 10.755 10.210 ( 7.280 7.642 3.135) 11.010 10.325 ( 0.774 2.360 -0.290) 2.500 10.371 ( -4.407 -4.498 -0.266) 6.302 10.602 ( 2.437 0.577 -0.977) 2.688 10.923 ( -1.274 -0.298 2.772) 3.066 11.309 ( -1.086 -4.844 -0.845) 5.036 11.360 ( -1.710 1.106 2.738) 3.413 11.461 ( 4.071 2.037 -1.284) 4.730 11.712 ( -2.990 4.009 0.631) 5.041 11.898 ( 2.117 5.645 -2.997) 6.733 12.259 ( 2.262 -0.492 1.016) 2.528 12.339 ( 1.585 0.025 3.007) 3.399 12.393 ( -0.288 -6.429 -1.521) 6.613 12.553 ( 0.348 -9.157 -4.368) 10.151 12.615 ( -1.908 0.905 -0.338) 2.139 12.676 ( -2.602 9.034 0.202) 9.404 13.231 ( -0.720 -1.186 2.275) 2.665 13.537 ( -0.597 -0.781 -1.811) 2.061 13.783 ( 1.096 3.783 0.686) 3.997 13.926 ( 5.575 2.077 1.612) 6.164 14.278 ( -0.861 -0.684 3.585) 3.749 14.673 ( 0.261 -4.405 -2.457) 5.051 15.130 ( -4.168 0.681 2.508) 4.912 15.370 ( -0.476 -2.246 -0.966) 2.491 15.411 ( 4.222 3.540 1.536) 5.720 15.528 ( -3.762 1.038 -2.636) 4.710 16.090 ( 1.259 -3.897 2.807) 4.965 16.202 ( -2.572 1.407 0.921) 3.073 16.432 ( 3.960 4.250 1.681) 6.047 16.754 ( -0.576 -4.378 -6.863) 8.161 17.166 ( 1.013 -2.079 0.492) 2.365 17.281 ( -2.177 3.599 -2.474) 4.880 17.389 ( 3.941 -3.752 3.002) 6.215 17.525 ( -3.628 0.743 0.226) 3.710 20.158 ( 1.153 -9.093 -2.328) 9.457 20.225 ( 0.305 7.788 0.326) 7.801 20.500 ( 2.576 -7.914 -0.833) 8.364 20.605 ( -0.670 5.967 -1.914) 6.303 22.580 ( -1.318 9.820 2.697) 10.268 22.672 ( -2.620 -9.079 2.446) 9.761 23.004 ( 1.672 3.980 -1.905) 4.719 23.054 ( 0.707 -2.412 -1.845) 3.118 28.071 ( -2.114 3.754 1.286) 4.496 28.190 ( 0.476 -1.747 1.793) 2.548 28.317 ( 8.200 -13.867 2.885) 16.367 28.676 ( -6.608 9.358 -11.376) 16.144 31.005 ( -1.745 1.288 2.413) 3.245 31.026 ( -0.620 -4.316 3.311) 5.475 31.239 ( 0.191 0.745 -0.454) 0.894 31.361 ( -0.145 -0.511 -0.553) 0.766 31.507 ( 1.453 -0.647 0.575) 1.691 31.551 ( -4.101 1.022 2.100) 4.719 31.892 ( 11.406 -0.182 -1.365) 11.489 32.599 ( 4.646 6.344 -15.218) 17.130 33.125 ( -0.575 -0.963 0.728) 1.337 33.315 ( -0.276 1.229 3.155) 3.397 33.441 ( 0.249 -4.764 -2.824) 5.543 33.657 ( 1.166 3.630 -1.072) 3.961 35.423 ( -1.957 -0.258 3.058) 3.640 35.537 ( -0.499 0.158 0.973) 1.105 35.665 ( -4.200 -0.370 5.913) 7.262 36.044 ( 2.075 -1.456 -3.654) 4.447 36.284 ( -2.295 -1.739 1.123) 3.091 36.403 ( -7.170 1.629 10.617) 12.914 37.478 ( 3.599 -5.475 -0.186) 6.555 38.017 ( 1.596 5.810 -6.176) 8.628 ======================= Grid point 105 (48/114) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -9.581 0.000 1.005) 9.633 2.043 ( -22.048 0.000 -4.929) 22.592 2.207 ( 6.954 -0.000 1.434) 7.100 2.535 ( 6.298 -0.000 -1.599) 6.498 2.722 ( 11.169 -0.000 -11.628) 16.123 2.822 ( 7.486 -0.000 -8.479) 11.311 2.976 ( 1.196 -0.000 -1.756) 2.125 2.990 ( -0.815 0.000 -0.883) 1.202 3.026 ( -18.926 0.000 -11.839) 22.324 3.278 ( 6.327 -0.000 0.812) 6.379 3.551 ( 11.830 -0.000 0.733) 11.853 3.657 ( 0.525 -0.000 -2.968) 3.014 3.805 ( -4.925 0.000 0.066) 4.925 3.816 ( 8.807 -0.000 0.610) 8.828 3.996 ( 2.486 -0.000 10.829) 11.111 4.296 ( -4.488 0.000 3.704) 5.819 4.304 ( -5.037 0.000 12.561) 13.533 4.774 ( -3.867 0.000 -1.458) 4.132 4.929 ( -1.288 0.000 6.107) 6.242 4.988 ( -1.575 0.000 -2.956) 3.350 5.095 ( 1.704 -0.000 -2.216) 2.795 5.406 ( 0.556 -0.000 -5.352) 5.381 5.568 ( 3.648 -0.000 -2.056) 4.188 5.774 ( -3.963 0.000 -1.748) 4.331 5.902 ( -2.256 0.000 4.471) 5.008 6.051 ( 7.289 -0.000 -1.619) 7.467 6.164 ( -4.789 0.000 4.482) 6.559 6.298 ( 2.716 -0.000 0.197) 2.723 6.618 ( -0.000 0.000 2.850) 2.850 6.618 ( -2.077 0.000 1.574) 2.605 7.878 ( -5.328 0.000 -4.793) 7.167 8.127 ( -6.462 0.000 -3.382) 7.293 8.224 ( 6.078 -0.000 2.483) 6.566 8.377 ( 0.612 -0.000 -4.579) 4.620 8.892 ( 10.108 -0.000 12.614) 16.164 8.975 ( 0.316 -0.000 3.695) 3.709 9.285 ( -0.965 0.000 0.183) 0.982 9.410 ( -3.364 0.000 -3.902) 5.152 9.558 ( 3.362 -0.000 3.397) 4.779 9.566 ( -1.849 0.000 -6.494) 6.752 9.861 ( 2.482 -0.000 3.039) 3.924 9.979 ( -5.985 0.000 -7.919) 9.926 10.221 ( -6.679 0.000 -9.528) 11.635 10.325 ( 1.872 -0.000 0.038) 1.872 10.712 ( -3.340 0.000 -0.187) 3.346 11.024 ( -5.953 0.000 5.161) 7.878 11.126 ( 1.032 -0.000 -4.746) 4.857 11.140 ( 1.803 -0.000 -0.293) 1.826 11.439 ( -1.362 0.000 -0.266) 1.387 11.727 ( 5.559 -0.000 0.162) 5.562 11.791 ( -8.770 0.000 -0.593) 8.790 11.899 ( -5.304 0.000 -2.929) 6.059 12.260 ( 4.324 -0.000 7.145) 8.352 12.366 ( 4.283 -0.000 4.057) 5.899 12.477 ( 13.167 -0.000 7.347) 15.078 12.693 ( -4.080 0.000 -6.617) 7.774 12.853 ( 11.559 -0.000 -0.700) 11.580 12.925 ( -0.783 0.000 -6.161) 6.211 13.275 ( -5.204 0.000 0.639) 5.243 13.441 ( 2.947 -0.000 5.276) 6.043 13.555 ( -6.292 0.000 -5.016) 8.047 13.695 ( -1.546 0.000 -0.574) 1.649 14.426 ( 10.345 -0.000 10.591) 14.805 14.459 ( 1.481 -0.000 -0.336) 1.519 14.534 ( 5.396 -0.000 1.130) 5.514 14.859 ( -1.011 0.000 7.425) 7.494 15.018 ( 0.064 -0.000 -0.575) 0.578 15.255 ( 0.998 -0.000 -0.773) 1.263 15.831 ( -2.535 0.000 -9.892) 10.211 16.461 ( -2.186 0.000 -6.775) 7.119 16.629 ( 2.227 -0.000 6.011) 6.410 16.700 ( 1.556 -0.000 4.992) 5.229 16.896 ( -0.156 0.000 0.233) 0.280 16.986 ( 1.128 -0.000 0.620) 1.287 17.232 ( 0.701 -0.000 0.904) 1.144 17.550 ( -3.373 0.000 -0.935) 3.500 19.900 ( 3.065 -0.000 -4.719) 5.627 20.068 ( -5.017 0.000 -5.706) 7.598 20.933 ( -1.415 0.000 -0.160) 1.424 20.981 ( -0.259 0.000 -0.321) 0.412 21.974 ( -0.386 0.000 4.429) 4.446 22.397 ( 0.678 -0.000 -1.829) 1.951 23.259 ( -1.511 0.000 2.240) 2.701 23.513 ( 0.996 -0.000 -1.856) 2.106 26.967 ( -0.073 0.000 0.050) 0.089 26.973 ( 0.025 -0.000 -0.028) 0.038 29.423 ( 1.258 -0.000 -0.102) 1.262 29.659 ( -2.137 0.000 -3.563) 4.155 30.338 ( 4.499 -0.000 5.303) 6.954 30.691 ( 0.056 -0.000 3.470) 3.471 30.707 ( 2.380 -0.000 3.067) 3.882 31.284 ( 2.576 -0.000 -0.831) 2.707 31.401 ( -1.009 0.000 0.625) 1.187 32.044 ( 0.477 -0.000 -0.989) 1.098 32.205 ( -1.602 0.000 -2.954) 3.361 32.498 ( 0.220 -0.000 -0.941) 0.967 32.809 ( 1.457 -0.000 -0.878) 1.701 33.458 ( -2.279 0.000 5.596) 6.042 33.890 ( 10.844 -0.000 -21.926) 24.461 34.273 ( 16.597 -0.000 -32.820) 36.778 35.322 ( -0.368 0.000 1.894) 1.930 35.515 ( -0.084 0.000 -1.068) 1.071 35.578 ( -6.651 0.000 6.262) 9.135 35.983 ( 3.109 -0.000 -2.336) 3.888 36.176 ( -3.918 0.000 2.498) 4.646 36.259 ( 1.166 -0.000 -0.431) 1.243 36.760 ( -12.864 0.000 37.677) 39.812 38.996 ( -3.643 0.000 -4.712) 5.956 ======================= Grid point 106 (49/114) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -19.818 5.185 -2.481) 20.635 1.762 ( -14.181 -1.444 -5.366) 15.231 2.336 ( 9.411 -2.332 -4.397) 10.646 2.501 ( -3.727 1.606 0.175) 4.063 2.680 ( 6.882 -1.790 -17.241) 18.650 2.793 ( -19.370 0.070 -11.685) 22.622 2.890 ( 2.599 -7.349 1.325) 7.907 3.141 ( 2.088 -4.375 -3.663) 6.076 3.208 ( 6.052 -17.928 -3.157) 19.183 3.334 ( 6.356 -4.051 4.978) 9.033 3.602 ( 1.295 1.845 -4.233) 4.795 3.655 ( 11.609 1.175 2.733) 11.984 3.829 ( -0.315 -1.783 -0.469) 1.870 3.848 ( 3.632 0.578 1.130) 3.847 4.053 ( 0.494 2.074 11.170) 11.371 4.320 ( -8.632 -0.916 8.825) 12.379 4.340 ( -0.585 -4.006 4.196) 5.831 4.723 ( 0.383 2.366 -3.659) 4.374 4.873 ( 0.857 5.905 0.411) 5.981 4.986 ( 0.059 -1.907 4.502) 4.889 5.167 ( 1.618 -4.901 0.407) 5.177 5.334 ( -0.461 3.607 -4.848) 6.060 5.633 ( -5.744 -1.912 -3.659) 7.074 5.708 ( 3.061 -0.956 -1.445) 3.518 5.900 ( -5.455 1.185 1.819) 5.871 6.057 ( 2.181 8.139 2.284) 8.730 6.134 ( -3.090 -3.061 0.972) 4.457 6.303 ( 5.614 2.677 3.323) 7.052 6.539 ( -1.595 7.282 2.457) 7.849 6.641 ( -2.116 -1.198 1.460) 2.837 7.805 ( -2.986 0.903 -2.464) 3.975 8.047 ( -6.116 0.453 -3.293) 6.961 8.267 ( 6.629 2.902 -0.785) 7.279 8.337 ( 1.200 1.716 -3.953) 4.473 8.921 ( 2.764 3.490 6.284) 7.701 9.107 ( 5.986 1.452 4.207) 7.459 9.241 ( 0.490 0.666 6.488) 6.541 9.375 ( -2.159 -0.990 -2.712) 3.605 9.500 ( -2.550 -0.588 -7.596) 8.034 9.602 ( -1.402 0.370 1.676) 2.216 9.873 ( -4.479 -0.651 -4.621) 6.468 9.950 ( 1.502 -4.273 2.856) 5.355 10.131 ( -3.692 -0.191 -9.366) 10.069 10.355 ( -0.317 -1.706 -2.071) 2.702 10.611 ( -4.336 6.330 -0.365) 7.681 10.984 ( -4.365 3.041 2.684) 5.958 11.033 ( -2.764 4.989 -3.275) 6.577 11.190 ( 3.747 -1.877 0.897) 4.286 11.412 ( -3.571 0.897 -2.996) 4.747 11.693 ( -3.013 2.660 -4.711) 6.193 11.777 ( 1.738 -0.099 3.017) 3.483 11.895 ( -3.271 -5.834 -2.302) 7.073 12.251 ( 0.246 8.539 0.586) 8.562 12.441 ( 8.480 1.513 6.972) 11.082 12.492 ( -1.093 9.805 0.878) 9.905 12.590 ( -0.054 2.685 -0.923) 2.840 12.829 ( 5.136 5.284 0.342) 7.377 12.869 ( 7.350 4.438 0.154) 8.587 13.231 ( -2.756 0.178 0.185) 2.768 13.457 ( 1.166 -2.689 5.264) 6.024 13.629 ( -0.581 4.111 -0.634) 4.200 13.686 ( -5.278 -11.691 -2.857) 13.141 14.434 ( 6.568 2.242 3.554) 7.797 14.595 ( 3.215 -8.558 -2.046) 9.368 14.840 ( 1.742 1.150 6.293) 6.631 14.904 ( -0.074 -18.624 3.976) 19.043 15.176 ( 7.202 -11.824 8.187) 16.084 15.254 ( 1.061 -1.825 -0.095) 2.113 15.841 ( -1.710 -7.664 -10.045) 12.750 16.364 ( -2.671 3.805 -7.027) 8.425 16.609 ( 1.072 5.628 3.220) 6.572 16.639 ( 2.376 7.664 5.801) 9.901 16.952 ( 1.153 -4.570 0.625) 4.754 17.052 ( 1.351 -4.219 0.807) 4.503 17.314 ( 0.902 -5.768 1.221) 5.964 17.515 ( -4.534 -0.662 -1.758) 4.908 19.951 ( 5.308 -4.868 -4.953) 8.741 19.978 ( -4.679 0.776 -7.310) 8.714 20.821 ( -1.872 8.490 0.771) 8.729 20.974 ( 0.564 2.627 -1.245) 2.961 22.066 ( -0.854 -7.533 5.675) 9.470 22.453 ( 0.222 -6.677 -2.147) 7.017 23.171 ( -2.785 8.541 2.336) 9.282 23.480 ( 1.228 3.558 -1.973) 4.249 27.073 ( -1.008 -11.795 0.215) 11.840 27.127 ( 2.971 -15.676 0.854) 15.978 29.264 ( 2.191 16.418 1.271) 16.612 29.544 ( -5.043 7.851 -5.780) 10.976 30.560 ( 4.574 -13.834 7.735) 16.497 30.730 ( 1.474 -1.659 3.746) 4.354 30.786 ( 3.767 -3.862 3.479) 6.419 31.333 ( 3.800 -2.361 -0.146) 4.477 31.428 ( 0.674 -2.530 0.931) 2.779 31.954 ( -0.048 8.131 -0.194) 8.133 32.082 ( -1.476 8.517 -3.622) 9.372 32.575 ( -1.504 -8.266 -1.680) 8.568 32.898 ( -0.567 -8.793 -1.636) 8.961 33.458 ( -0.528 2.258 5.525) 5.991 33.728 ( 12.237 10.810 -39.784) 43.004 34.124 ( 6.825 8.495 -15.030) 18.565 35.345 ( -0.669 -1.507 2.141) 2.702 35.496 ( -0.683 0.601 0.283) 0.952 35.575 ( -5.643 -1.334 5.838) 8.229 36.003 ( 2.108 -0.518 -3.050) 3.743 36.247 ( -0.483 -4.392 0.180) 4.423 36.290 ( 4.305 -4.454 -0.609) 6.224 36.889 ( -10.511 -0.573 39.871) 41.237 38.834 ( -5.608 9.429 -7.759) 13.437 ======================= Grid point 107 (50/114) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -7.876 -10.876 -2.391) 13.640 1.758 ( -12.470 -11.953 -5.898) 18.253 2.308 ( 6.271 -0.086 -14.671) 15.955 2.442 ( -1.755 1.863 -3.196) 4.094 2.590 ( -16.641 -0.615 -6.299) 17.804 2.824 ( -0.284 -8.084 -3.292) 8.733 3.056 ( 2.409 -2.446 -1.076) 3.598 3.177 ( -4.573 -13.740 -1.374) 14.546 3.416 ( 4.538 -1.181 0.343) 4.701 3.517 ( 1.079 -3.298 3.300) 4.789 3.624 ( 3.453 -3.605 -5.185) 7.198 3.698 ( 8.925 1.464 -1.841) 9.230 3.842 ( -0.313 0.419 2.189) 2.251 3.906 ( 0.799 -4.616 0.065) 4.685 4.077 ( -0.769 1.367 9.742) 9.867 4.275 ( -6.006 2.768 3.559) 7.510 4.430 ( -1.180 -3.039 0.962) 3.399 4.709 ( 5.078 -0.730 0.207) 5.135 4.820 ( 2.759 2.574 2.623) 4.595 5.076 ( 1.804 -5.181 1.938) 5.818 5.240 ( 1.105 -0.283 -0.434) 1.220 5.265 ( 6.349 3.542 0.697) 7.304 5.508 ( -6.089 3.266 -3.117) 7.580 5.795 ( -0.555 -0.647 -1.766) 1.961 5.831 ( -0.697 -0.211 -1.487) 1.656 5.884 ( -0.311 11.976 5.513) 13.187 6.140 ( -8.415 -1.185 -6.092) 10.456 6.336 ( 5.765 1.036 3.332) 6.739 6.415 ( -0.515 6.724 7.060) 9.763 6.644 ( -1.853 -0.117 1.206) 2.214 7.792 ( 1.095 -0.686 0.278) 1.322 7.980 ( -4.293 -0.067 -3.292) 5.410 8.196 ( -1.234 3.255 -6.340) 7.233 8.346 ( 7.182 1.100 2.324) 7.629 8.908 ( -1.924 0.970 1.578) 2.671 9.080 ( 5.195 3.715 0.757) 6.431 9.239 ( -4.687 0.915 -1.743) 5.084 9.383 ( 0.224 -1.203 -1.671) 2.071 9.513 ( 3.500 1.256 4.649) 5.954 9.588 ( 0.346 -0.633 -0.194) 0.748 9.809 ( -7.450 -0.864 -5.000) 9.014 10.035 ( -3.194 1.975 -8.849) 9.613 10.113 ( 2.626 -4.740 7.998) 9.661 10.318 ( -4.087 1.557 -0.249) 4.381 10.473 ( -1.166 5.527 0.492) 5.670 10.821 ( -3.352 8.143 -5.082) 10.167 10.979 ( -1.298 1.455 4.011) 4.460 11.233 ( 0.591 0.768 -3.849) 3.969 11.328 ( -3.305 -0.369 -2.036) 3.900 11.603 ( 1.120 4.077 -4.690) 6.314 11.834 ( -0.519 -3.662 6.194) 7.214 11.928 ( -8.463 2.225 -5.065) 10.110 12.115 ( 0.016 -3.552 1.362) 3.804 12.351 ( 3.105 5.975 1.591) 6.919 12.448 ( -0.116 7.692 -3.456) 8.433 12.519 ( 7.289 4.945 5.298) 10.279 12.809 ( 2.200 4.907 4.465) 6.990 12.832 ( 0.540 1.385 -1.803) 2.337 13.231 ( -1.829 -0.639 -0.975) 2.168 13.496 ( 1.463 1.292 -0.148) 1.957 13.701 ( 6.750 -7.104 8.818) 13.183 13.782 ( -8.609 -6.813 -2.347) 11.227 14.499 ( 6.869 -2.037 1.067) 7.243 14.545 ( -3.168 8.570 -6.342) 11.122 14.956 ( -2.200 -8.771 5.108) 10.386 15.157 ( 0.852 -6.934 1.069) 7.068 15.362 ( 1.082 -8.605 3.482) 9.345 15.556 ( 8.516 -11.160 8.151) 16.233 15.893 ( -0.679 -3.147 -6.841) 7.561 16.225 ( -5.621 2.065 -5.700) 8.267 16.506 ( -0.201 5.934 2.591) 6.479 16.682 ( 10.953 -1.611 4.897) 12.106 17.025 ( -0.686 -3.605 -0.757) 3.747 17.174 ( 4.073 -6.587 1.051) 7.816 17.382 ( -0.932 -0.495 -0.734) 1.285 17.503 ( -3.594 -2.361 -0.820) 4.378 19.925 ( -2.151 -2.844 -5.939) 6.928 20.091 ( 6.942 -8.438 -5.682) 12.316 20.643 ( -2.335 10.135 2.103) 10.611 20.880 ( 0.715 7.023 -1.683) 7.257 22.267 ( -1.856 -11.286 5.908) 12.873 22.594 ( 0.785 -9.532 -2.273) 9.831 22.993 ( -3.233 8.992 3.400) 10.142 23.381 ( 1.512 7.426 -2.140) 7.875 27.342 ( -2.603 -18.984 -0.108) 19.161 27.564 ( 11.797 -23.845 4.204) 26.934 28.953 ( 2.577 21.055 2.706) 21.384 29.240 ( -7.541 15.497 -8.997) 19.441 30.814 ( 1.370 -4.120 3.626) 5.657 30.861 ( 2.354 -9.148 6.371) 11.393 30.958 ( 3.540 -10.638 3.954) 11.889 31.392 ( 0.559 -2.343 -1.014) 2.613 31.494 ( 3.475 -0.673 1.244) 3.752 31.797 ( -0.653 9.259 -0.010) 9.282 31.914 ( 1.368 5.444 -1.250) 5.750 32.685 ( -2.539 -6.276 -7.034) 9.763 33.060 ( -0.674 -10.828 -3.065) 11.274 33.291 ( 0.525 13.756 -35.818) 38.372 33.436 ( 0.465 3.641 4.033) 5.453 33.965 ( 3.033 8.597 -2.569) 9.471 35.380 ( -1.483 -1.750 2.359) 3.291 35.500 ( -0.509 -1.198 0.349) 1.348 35.603 ( -4.712 -2.369 5.990) 7.981 36.006 ( 2.074 -0.463 -3.664) 4.235 36.273 ( 1.808 0.467 1.021) 2.128 36.421 ( -0.928 -3.777 3.702) 5.370 37.094 ( -0.685 -6.763 26.382) 27.243 38.520 ( -5.012 14.674 -9.683) 18.281 ======================= Grid point 108 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -9.822 -17.467 -4.573) 20.555 1.958 ( -2.355 -18.911 -7.435) 20.456 2.338 ( -4.552 -3.309 -3.470) 6.611 2.382 ( 0.689 -3.741 -7.816) 8.692 2.591 ( 0.677 -10.902 -2.067) 11.117 2.775 ( 0.538 6.938 3.839) 7.947 3.189 ( 1.070 -9.076 -5.109) 10.470 3.333 ( 0.210 -1.217 -1.248) 1.756 3.453 ( -3.153 7.663 3.179) 8.875 3.465 ( -6.642 -5.876 -1.667) 9.024 3.592 ( 0.868 5.500 -5.387) 7.747 3.740 ( 4.853 0.329 -2.521) 5.478 3.807 ( 2.114 4.474 0.759) 5.006 4.009 ( -0.017 -3.316 2.051) 3.899 4.071 ( -7.445 0.607 11.222) 13.481 4.254 ( 3.686 -1.469 -1.545) 4.258 4.436 ( -0.645 0.985 2.509) 2.771 4.786 ( 4.811 2.584 -1.267) 5.606 4.816 ( 1.588 -3.533 0.693) 3.935 5.170 ( -2.876 -2.026 0.604) 3.569 5.212 ( 7.102 5.921 -0.231) 9.249 5.323 ( 9.537 0.000 3.652) 10.213 5.473 ( 2.470 -2.063 1.746) 3.661 5.621 ( -0.895 8.509 -2.709) 8.975 5.814 ( -5.290 1.569 -0.978) 5.604 5.861 ( -2.354 -2.587 3.367) 4.855 6.027 ( -7.802 -0.384 -5.202) 9.385 6.332 ( -0.591 4.291 2.025) 4.781 6.401 ( 4.219 0.636 4.055) 5.887 6.636 ( 0.831 1.511 1.659) 2.393 7.802 ( -2.081 -0.465 -1.560) 2.642 7.951 ( -3.444 -1.094 -7.344) 8.185 8.143 ( 0.625 -1.220 2.331) 2.704 8.406 ( 6.340 -0.089 3.076) 7.047 8.899 ( -2.134 -2.082 -1.598) 3.383 9.080 ( 4.646 1.203 -0.198) 4.803 9.168 ( -2.965 1.678 -0.667) 3.472 9.398 ( 1.806 0.198 -1.680) 2.474 9.536 ( 1.207 0.312 1.977) 2.337 9.586 ( 2.896 1.452 -0.204) 3.246 9.736 ( -8.985 -1.446 -2.846) 9.535 9.880 ( -0.311 9.159 -0.904) 9.208 10.196 ( -8.910 -6.530 0.999) 11.091 10.344 ( -0.280 -1.209 0.708) 1.429 10.403 ( 4.183 4.548 2.651) 6.724 10.649 ( -0.773 4.888 -2.884) 5.728 10.955 ( -0.607 2.829 2.796) 4.024 11.206 ( -0.779 -3.761 -2.608) 4.643 11.352 ( -0.270 -1.113 0.840) 1.420 11.527 ( 2.159 2.918 -1.636) 3.981 11.739 ( -9.350 4.889 -2.445) 10.831 11.943 ( -0.776 -2.982 3.334) 4.539 12.249 ( 1.307 -3.349 -1.959) 4.094 12.324 ( 0.204 3.871 -0.770) 3.952 12.356 ( 4.279 -6.883 0.803) 8.144 12.490 ( 5.442 4.387 0.503) 7.008 12.708 ( -0.255 8.473 1.262) 8.570 12.786 ( -0.659 4.846 1.457) 5.103 13.214 ( -1.667 -0.592 0.747) 1.920 13.517 ( 2.490 -1.041 -1.258) 2.977 13.786 ( -6.041 -2.517 -0.699) 6.581 13.933 ( 2.718 -6.480 5.079) 8.670 14.309 ( -5.670 7.660 -4.838) 10.688 14.602 ( 4.918 -3.696 -1.751) 6.396 15.081 ( -2.754 -4.859 3.247) 6.460 15.286 ( 3.296 -5.191 2.873) 6.787 15.465 ( -2.395 -1.927 -1.104) 3.266 15.646 ( 3.932 9.350 2.805) 10.524 15.975 ( 1.335 -9.376 3.300) 10.029 16.177 ( -5.582 -3.409 -6.204) 9.015 16.425 ( -3.075 2.635 -0.887) 4.145 16.815 ( 12.659 2.235 3.630) 13.357 17.102 ( 0.927 -5.395 1.014) 5.567 17.308 ( 2.349 0.070 -6.033) 6.475 17.360 ( 0.608 -2.934 5.504) 6.266 17.496 ( -4.229 -0.367 -1.262) 4.428 19.991 ( 0.220 -8.006 -2.876) 8.510 20.261 ( 6.745 -6.148 -7.020) 11.514 20.477 ( -1.954 6.192 4.356) 7.819 20.731 ( -0.112 8.626 -2.058) 8.869 22.468 ( -4.260 -10.274 4.050) 11.837 22.732 ( 2.499 -1.352 0.119) 2.844 22.893 ( -1.365 -1.054 2.339) 2.906 23.220 ( 1.490 10.325 -2.397) 10.704 27.688 ( -3.302 -22.224 -0.751) 22.481 28.133 ( 17.927 -20.915 7.167) 28.463 28.595 ( 2.167 22.883 3.722) 23.285 28.811 ( -8.270 17.757 -10.927) 22.430 30.929 ( -0.157 -5.694 2.805) 6.349 31.018 ( 1.128 -3.673 3.725) 5.351 31.156 ( -0.547 -7.093 1.515) 7.273 31.412 ( -0.484 1.238 -0.174) 1.340 31.487 ( 0.160 1.330 -0.224) 1.358 31.617 ( -1.548 7.198 -0.045) 7.362 31.934 ( 4.622 -1.062 -2.737) 5.476 32.595 ( -0.124 2.350 -19.999) 20.137 33.048 ( -3.176 -3.105 -6.665) 8.009 33.252 ( -0.481 -11.483 -2.342) 11.730 33.391 ( 0.358 4.198 3.863) 5.716 33.814 ( 1.966 9.621 -0.894) 9.861 35.408 ( -2.157 -1.310 2.583) 3.611 35.525 ( -0.362 -1.400 0.259) 1.469 35.644 ( -4.415 -1.984 6.368) 7.999 36.015 ( 2.488 -1.016 -3.945) 4.773 36.280 ( 1.224 0.869 1.521) 2.137 36.442 ( -6.230 1.479 9.856) 11.753 37.382 ( 5.903 -9.982 9.274) 14.849 38.163 ( -2.994 14.206 -9.412) 17.302 ======================= Grid point 114 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -23.696 0.000 -2.855) 23.868 1.515 ( -30.992 0.000 -9.774) 32.496 2.357 ( -0.050 0.000 1.485) 1.485 2.486 ( -25.141 0.000 -11.416) 27.612 2.493 ( 3.722 -0.000 -18.769) 19.134 2.828 ( 2.167 -0.000 2.534) 3.334 2.866 ( 10.481 -0.000 -8.503) 13.496 2.952 ( 1.071 -0.000 -2.092) 2.350 3.051 ( 12.231 -0.000 -0.079) 12.231 3.412 ( 6.784 -0.000 0.035) 6.784 3.618 ( -0.073 0.000 -0.924) 0.926 3.703 ( -0.782 0.000 0.967) 1.244 3.879 ( -5.727 0.000 2.426) 6.219 3.892 ( 16.787 -0.000 1.332) 16.840 4.104 ( -4.952 0.000 6.813) 8.422 4.327 ( -0.561 0.000 2.290) 2.358 4.332 ( 2.011 -0.000 11.471) 11.646 4.739 ( 3.612 -0.000 -2.632) 4.469 5.000 ( 2.617 -0.000 3.217) 4.147 5.013 ( 4.357 -0.000 3.219) 5.417 5.079 ( -2.088 0.000 1.799) 2.756 5.287 ( -7.083 0.000 -4.724) 8.514 5.617 ( 0.376 -0.000 -1.203) 1.260 5.630 ( -6.593 0.000 -4.733) 8.116 5.918 ( 0.516 -0.000 4.706) 4.734 6.108 ( 1.335 -0.000 -1.203) 1.797 6.166 ( -3.459 0.000 6.561) 7.417 6.372 ( 4.346 -0.000 0.609) 4.389 6.583 ( -3.784 0.000 2.773) 4.691 6.638 ( -1.350 0.000 2.018) 2.428 7.785 ( -0.778 0.000 0.245) 0.816 7.960 ( -5.854 0.000 -7.079) 9.186 8.310 ( -1.943 0.000 -5.059) 5.419 8.372 ( 7.699 -0.000 0.102) 7.700 9.020 ( -0.847 0.000 3.960) 4.049 9.240 ( 4.804 -0.000 1.724) 5.103 9.295 ( 6.974 -0.000 10.741) 12.806 9.307 ( -3.845 0.000 -4.552) 5.959 9.419 ( -4.734 0.000 -3.355) 5.802 9.593 ( -1.655 0.000 0.125) 1.660 9.804 ( -2.504 0.000 -7.689) 8.086 9.857 ( -8.334 0.000 -0.157) 8.336 10.126 ( 7.381 -0.000 -1.544) 7.541 10.303 ( -2.666 0.000 -4.655) 5.364 10.614 ( -4.883 0.000 -2.621) 5.542 11.031 ( -2.711 0.000 9.136) 9.529 11.048 ( -0.364 0.000 -5.800) 5.811 11.212 ( 4.415 -0.000 1.547) 4.678 11.393 ( -2.904 0.000 -0.919) 3.046 11.657 ( -3.944 0.000 -3.955) 5.586 11.784 ( -5.433 0.000 -2.964) 6.189 11.826 ( 5.690 -0.000 0.969) 5.772 12.426 ( -5.864 0.000 -0.168) 5.867 12.429 ( 5.906 -0.000 6.124) 8.508 12.586 ( -2.534 0.000 2.816) 3.788 12.642 ( 2.186 -0.000 -2.847) 3.589 12.922 ( 2.882 -0.000 -1.432) 3.218 12.972 ( 9.298 -0.000 -7.335) 11.843 13.246 ( -2.779 0.000 5.964) 6.579 13.449 ( -0.902 0.000 0.226) 0.930 13.548 ( 3.658 -0.000 4.375) 5.703 13.645 ( -2.929 0.000 -1.480) 3.282 14.492 ( 2.162 -0.000 -1.620) 2.702 14.499 ( 3.415 -0.000 0.277) 3.427 14.775 ( 2.136 -0.000 7.580) 7.875 15.018 ( 0.584 -0.000 -0.001) 0.584 15.033 ( 8.899 -0.000 13.147) 15.876 15.264 ( 0.631 -0.000 -0.284) 0.692 15.722 ( 2.930 -0.000 -4.486) 5.358 16.314 ( -1.904 0.000 -14.017) 14.145 16.711 ( 0.692 -0.000 3.587) 3.653 16.763 ( -0.323 0.000 4.165) 4.177 16.906 ( 0.248 -0.000 1.483) 1.504 17.033 ( 2.796 -0.000 1.679) 3.261 17.265 ( 0.556 -0.000 3.251) 3.298 17.447 ( -6.175 0.000 -3.738) 7.218 19.898 ( -5.277 0.000 -8.593) 10.084 19.930 ( 7.283 -0.000 -4.420) 8.520 20.905 ( -1.452 0.000 -0.606) 1.573 20.981 ( 0.338 -0.000 0.452) 0.564 22.025 ( -1.020 0.000 6.831) 6.907 22.374 ( -0.385 0.000 -2.418) 2.448 23.252 ( -2.075 0.000 1.440) 2.526 23.509 ( 1.307 -0.000 -1.733) 2.170 26.967 ( -0.054 0.000 0.082) 0.098 26.974 ( 0.065 -0.000 0.020) 0.068 29.449 ( 0.870 -0.000 0.903) 1.254 29.545 ( -5.725 0.000 -4.721) 7.420 30.508 ( 4.804 -0.000 10.557) 11.599 30.758 ( 2.993 -0.000 3.696) 4.756 30.801 ( 4.309 -0.000 3.110) 5.313 31.363 ( 7.711 -0.000 0.573) 7.732 31.414 ( 1.058 -0.000 1.868) 2.147 32.038 ( 0.377 -0.000 -1.148) 1.209 32.123 ( -3.834 0.000 -3.735) 5.352 32.454 ( -2.965 0.000 -3.471) 4.565 32.797 ( -2.070 0.000 -0.229) 2.083 33.508 ( 0.786 -0.000 4.748) 4.812 33.676 ( 16.821 -0.000 -60.680) 62.969 34.165 ( 5.571 -0.000 -13.864) 14.942 35.338 ( -0.667 0.000 2.098) 2.202 35.501 ( -0.088 0.000 -1.098) 1.101 35.553 ( -4.777 0.000 5.356) 7.177 36.015 ( 3.876 -0.000 -1.273) 4.080 36.165 ( -0.070 0.000 0.631) 0.635 36.311 ( 5.117 -0.000 0.390) 5.132 37.070 ( -12.157 0.000 54.118) 55.467 38.815 ( -7.995 0.000 -9.951) 12.765 ======================= Grid point 115 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -23.341 -6.089 -1.982) 24.203 1.379 ( -22.610 -10.721 -8.690) 26.489 2.211 ( -32.935 -11.614 -13.107) 37.301 2.361 ( 2.647 1.839 -13.912) 14.280 2.497 ( -1.518 8.396 2.121) 8.792 2.636 ( 5.636 -3.579 -4.355) 7.972 2.851 ( -4.431 -0.813 -1.694) 4.813 3.141 ( 1.212 -2.937 -4.007) 5.114 3.341 ( 10.052 -13.630 1.524) 17.004 3.503 ( 8.244 -6.024 1.645) 10.342 3.595 ( 3.655 2.038 -2.008) 4.642 3.710 ( -3.382 -1.885 -0.361) 3.889 3.809 ( -4.423 1.783 0.592) 4.805 3.988 ( 5.979 1.683 3.936) 7.354 4.117 ( 1.465 0.592 2.603) 3.045 4.329 ( 4.178 1.093 -0.555) 4.354 4.425 ( 1.602 -0.688 11.122) 11.258 4.757 ( 6.015 1.136 -2.077) 6.464 4.942 ( 4.211 5.297 3.556) 7.644 5.031 ( 1.307 -0.960 -0.248) 1.641 5.212 ( 1.804 -6.330 4.336) 7.882 5.291 ( -1.953 -5.316 1.329) 5.818 5.467 ( -4.024 5.646 -3.806) 7.909 5.698 ( -5.564 -7.505 -1.473) 9.458 5.896 ( 1.871 6.561 1.554) 6.997 6.062 ( -2.766 4.476 -3.125) 6.119 6.109 ( -4.013 5.861 5.701) 9.108 6.399 ( 2.193 -0.190 -0.709) 2.312 6.556 ( -0.528 4.591 5.256) 6.999 6.634 ( -0.845 -0.746 3.593) 3.766 7.802 ( 1.691 0.192 2.721) 3.210 7.891 ( -4.083 -1.540 -7.493) 8.671 8.229 ( -1.284 4.191 -3.392) 5.543 8.410 ( 4.202 0.324 -2.574) 4.938 8.983 ( -1.578 4.698 3.968) 6.349 9.202 ( -4.001 2.181 -4.141) 6.157 9.211 ( 1.501 3.938 2.446) 4.873 9.294 ( -4.694 -2.740 -7.001) 8.863 9.566 ( -3.977 1.024 0.738) 4.172 9.594 ( 8.616 -4.269 11.712) 15.154 9.760 ( 0.963 0.695 -4.366) 4.524 9.857 ( -5.456 -5.772 -2.749) 8.405 10.185 ( 6.604 0.354 1.605) 6.805 10.251 ( -6.692 -1.090 -6.558) 9.433 10.538 ( -4.019 3.248 -0.381) 5.181 10.933 ( 0.011 8.102 -3.972) 9.023 11.049 ( 1.102 2.764 8.515) 9.020 11.256 ( 1.911 1.217 0.022) 2.265 11.320 ( -1.897 2.719 -1.351) 3.581 11.627 ( 1.120 0.171 -5.196) 5.318 11.737 ( -6.821 -2.397 -0.396) 7.240 11.899 ( 3.649 -1.821 -0.746) 4.146 12.169 ( -11.395 11.822 1.446) 16.483 12.479 ( -0.743 4.850 2.069) 5.325 12.533 ( -1.599 4.144 -3.526) 5.671 12.644 ( 4.537 0.203 1.783) 4.879 12.861 ( 0.345 4.462 -1.724) 4.796 12.958 ( 7.067 3.069 -3.465) 8.448 13.218 ( -2.593 2.211 4.543) 5.679 13.520 ( 0.874 -1.264 0.229) 1.554 13.617 ( -2.875 -3.086 0.227) 4.224 13.659 ( 3.712 -5.491 4.025) 7.755 14.525 ( 3.478 -0.184 0.606) 3.535 14.584 ( -0.213 -0.104 -5.923) 5.927 14.807 ( -7.142 -5.393 3.782) 9.716 15.046 ( 5.668 -5.915 4.517) 9.355 15.288 ( 3.270 -6.470 1.778) 7.464 15.400 ( 4.272 -15.418 3.864) 16.459 15.796 ( 6.284 -2.643 0.965) 6.885 16.234 ( 0.920 0.362 -11.977) 12.018 16.639 ( -0.152 6.493 2.076) 6.818 16.752 ( 5.124 0.584 2.998) 5.966 16.961 ( 0.040 -3.132 0.747) 3.221 17.107 ( 3.609 -4.437 0.395) 5.733 17.340 ( -0.650 -3.426 1.860) 3.952 17.402 ( -5.613 -3.346 -2.818) 7.117 19.829 ( -3.101 -1.627 -7.051) 7.873 20.005 ( 8.314 -4.198 -4.596) 10.386 20.801 ( -1.865 8.147 0.883) 8.404 20.975 ( 0.886 3.101 -0.406) 3.251 22.124 ( -1.672 -6.901 7.991) 10.690 22.426 ( -0.056 -7.248 -2.571) 7.690 23.147 ( -3.117 8.602 2.124) 9.393 23.485 ( 2.097 3.520 -1.632) 4.410 27.061 ( -0.684 -10.503 0.104) 10.526 27.229 ( 9.007 -24.514 2.643) 26.250 29.305 ( -0.232 14.693 1.136) 14.738 29.385 ( -5.533 10.255 -5.230) 12.772 30.714 ( 2.220 -10.111 8.228) 13.224 30.816 ( 3.425 -1.980 4.707) 6.148 30.883 ( 3.993 -3.787 2.040) 5.869 31.376 ( 1.483 1.575 -0.458) 2.211 31.517 ( 7.500 -3.582 3.100) 8.871 31.950 ( -0.495 7.750 0.255) 7.770 31.992 ( -3.786 6.568 -5.475) 9.352 32.490 ( -3.401 -7.798 -8.380) 11.942 32.859 ( -2.385 -8.395 -0.690) 8.754 33.269 ( 4.665 11.685 -65.907) 67.097 33.522 ( 1.546 2.194 3.886) 4.723 34.092 ( 2.755 5.095 -4.585) 7.388 35.354 ( -1.334 -1.168 2.051) 2.711 35.487 ( -0.399 0.253 -0.382) 0.608 35.564 ( -3.692 -1.592 5.146) 6.531 36.013 ( 2.753 1.294 -1.858) 3.565 36.272 ( 2.535 -6.450 0.722) 6.968 36.362 ( 5.413 -1.622 -0.297) 5.658 37.263 ( -8.059 4.425 53.336) 54.123 38.620 ( -6.947 7.889 -11.208) 15.366 ======================= Grid point 116 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -19.289 -15.742 0.533) 24.903 1.489 ( -11.365 -21.083 -10.071) 25.982 2.199 ( -14.587 -11.793 0.794) 18.774 2.293 ( 1.441 -0.319 -10.994) 11.093 2.412 ( 3.028 -3.851 -3.130) 5.813 2.742 ( -3.770 -7.799 -4.243) 9.646 2.968 ( -10.195 -16.862 -1.309) 19.748 3.070 ( -5.127 1.350 -3.996) 6.639 3.475 ( 2.897 3.112 -1.634) 4.555 3.601 ( 0.298 2.692 3.693) 4.580 3.661 ( 8.473 -0.470 -3.933) 9.353 3.722 ( -1.848 -2.872 -0.057) 3.416 3.786 ( -2.894 -1.245 0.977) 3.299 4.006 ( 2.116 0.471 3.965) 4.519 4.105 ( -0.455 1.500 -1.160) 1.950 4.338 ( 8.667 4.648 1.482) 9.946 4.525 ( 5.911 -0.228 10.531) 12.079 4.771 ( 2.569 -0.696 -1.861) 3.248 4.910 ( 6.384 5.407 -0.053) 8.366 5.133 ( 2.209 -5.184 2.416) 6.131 5.262 ( 2.571 1.444 0.155) 2.952 5.401 ( 4.395 -1.167 0.878) 4.631 5.447 ( 1.478 -8.761 2.873) 9.338 5.729 ( -3.534 10.039 -3.184) 11.109 5.783 ( -5.039 -5.432 -0.699) 7.442 5.887 ( -5.900 6.610 -4.589) 9.978 5.974 ( -3.829 7.766 4.394) 9.710 6.408 ( 2.854 0.355 -2.247) 3.650 6.484 ( -1.364 4.964 5.058) 7.217 6.683 ( 2.852 -0.055 4.870) 5.644 7.776 ( -4.440 0.731 -4.034) 6.043 7.890 ( 1.024 0.031 -0.254) 1.056 8.147 ( -0.236 1.552 -0.358) 1.610 8.415 ( 2.142 -1.635 -4.536) 5.277 8.927 ( 0.910 2.709 4.890) 5.664 9.136 ( -0.959 1.559 -2.446) 3.055 9.163 ( 0.229 2.500 0.547) 2.569 9.334 ( -3.548 -6.850 -4.202) 8.785 9.509 ( -6.212 0.725 1.530) 6.438 9.677 ( 2.132 4.856 3.572) 6.395 9.728 ( 2.494 3.032 -1.197) 4.104 9.905 ( -1.368 -5.325 -4.921) 7.379 10.138 ( -3.138 4.206 3.157) 6.124 10.261 ( -3.862 -4.644 -0.880) 6.104 10.465 ( -2.042 1.487 0.080) 2.527 10.759 ( 1.127 9.006 -1.915) 9.276 11.049 ( 1.164 5.072 5.156) 7.325 11.169 ( 0.171 1.196 -0.287) 1.242 11.352 ( 2.810 -0.889 1.748) 3.426 11.576 ( 1.239 2.759 -3.662) 4.750 11.707 ( -11.336 1.874 -3.238) 11.938 11.867 ( -4.834 -2.334 4.055) 6.728 12.130 ( 1.510 -7.894 -0.039) 8.037 12.366 ( -2.254 4.544 -1.592) 5.316 12.422 ( 0.753 5.710 -1.648) 5.990 12.633 ( 5.247 4.553 -0.250) 6.952 12.796 ( -0.502 3.553 -2.325) 4.275 12.941 ( 5.486 5.328 3.966) 8.615 13.190 ( -2.986 0.210 1.974) 3.586 13.525 ( 2.823 -0.204 -1.261) 3.098 13.630 ( -7.369 -4.304 -1.865) 8.736 13.864 ( 3.938 -7.830 5.299) 10.242 14.368 ( -10.112 9.377 -7.870) 15.879 14.572 ( 2.562 -2.407 -0.649) 3.575 14.950 ( -3.994 -8.682 2.055) 9.775 15.223 ( 4.798 -8.052 2.767) 9.773 15.445 ( 4.989 -2.476 4.021) 6.870 15.667 ( 0.035 -11.111 -3.020) 11.514 15.871 ( 1.140 -3.371 0.160) 3.562 16.115 ( -2.060 7.407 -1.158) 7.775 16.525 ( 0.140 7.626 0.787) 7.667 16.942 ( 16.826 -4.693 2.587) 17.659 17.022 ( 0.918 -4.020 0.878) 4.216 17.242 ( 6.084 -6.656 -4.249) 9.969 17.347 ( -3.483 -1.114 0.920) 3.771 17.432 ( -3.709 -2.201 -1.106) 4.452 19.850 ( -0.268 -5.716 -3.424) 6.668 20.148 ( 8.787 -7.449 -6.400) 13.178 20.631 ( -2.560 9.462 2.627) 10.148 20.874 ( 0.678 7.869 -1.295) 8.004 22.284 ( -5.289 -8.773 5.702) 11.724 22.583 ( 1.077 -10.834 -2.576) 11.188 23.007 ( -0.302 7.227 4.996) 8.791 23.388 ( 2.406 8.065 -1.865) 8.621 27.307 ( -1.477 -17.459 -0.188) 17.523 27.914 ( 26.491 -28.250 7.294) 39.409 28.987 ( -3.786 18.346 -2.313) 18.875 29.050 ( -2.549 19.814 -3.381) 20.261 30.847 ( -0.967 -4.135 -0.289) 4.257 30.964 ( 2.297 -5.695 4.661) 7.710 31.026 ( 0.387 -7.905 2.615) 8.335 31.357 ( -4.799 -2.082 -1.756) 5.518 31.584 ( 4.826 4.460 1.865) 6.831 31.758 ( -1.319 9.815 -3.894) 10.642 31.902 ( -1.911 -0.655 -3.713) 4.227 32.459 ( -1.828 -2.254 -27.313) 27.467 32.895 ( -5.640 -3.247 -16.717) 17.939 33.028 ( -1.328 -11.666 -0.541) 11.754 33.496 ( 1.175 4.174 3.216) 5.399 33.978 ( 2.049 7.683 -2.462) 8.324 35.378 ( -1.976 -1.531 2.228) 3.348 35.494 ( -0.349 -1.413 -0.218) 1.471 35.605 ( -3.459 -2.447 5.493) 6.937 36.009 ( 2.875 0.156 -2.615) 3.890 36.338 ( 3.251 1.581 3.047) 4.728 36.444 ( -1.739 -2.544 3.512) 4.672 37.401 ( -1.387 0.640 28.957) 28.997 38.326 ( -3.983 12.634 -10.881) 17.143 ======================= Grid point 123 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -30.852 0.000 -7.913) 31.851 1.041 ( -30.829 0.000 0.461) 30.833 1.698 ( -45.218 0.000 -11.282) 46.605 2.287 ( -4.525 0.000 -13.434) 14.175 2.451 ( -7.690 0.000 6.213) 9.886 2.812 ( -4.514 0.000 -0.646) 4.560 2.905 ( 2.257 -0.000 -0.021) 2.257 3.111 ( 23.488 -0.000 -6.165) 24.284 3.263 ( 9.128 -0.000 0.722) 9.156 3.451 ( 7.610 -0.000 -4.364) 8.772 3.651 ( -4.107 0.000 -2.096) 4.611 3.660 ( 0.621 -0.000 1.232) 1.380 3.802 ( -1.563 0.000 0.988) 1.849 4.000 ( -5.611 0.000 6.934) 8.920 4.223 ( 13.601 -0.000 -2.020) 13.750 4.338 ( 2.697 -0.000 -4.207) 4.997 4.502 ( -1.938 0.000 12.857) 13.002 4.799 ( 5.839 -0.000 -1.140) 5.949 5.033 ( -4.456 0.000 -6.188) 7.625 5.057 ( 5.098 -0.000 3.147) 5.991 5.118 ( -0.255 0.000 3.848) 3.857 5.251 ( 3.402 -0.000 8.284) 8.955 5.540 ( -6.794 0.000 0.196) 6.796 5.570 ( 4.421 -0.000 -0.004) 4.421 5.994 ( 1.407 -0.000 1.868) 2.339 6.052 ( -5.308 0.000 -1.266) 5.457 6.173 ( -6.240 0.000 5.171) 8.104 6.372 ( -1.201 0.000 -3.424) 3.629 6.633 ( -1.360 0.000 1.705) 2.181 6.639 ( 2.542 -0.000 7.153) 7.592 7.776 ( -6.649 0.000 -8.829) 11.053 7.875 ( 6.556 -0.000 6.613) 9.312 8.268 ( 2.295 -0.000 -0.392) 2.329 8.406 ( 0.170 -0.000 -5.367) 5.370 9.023 ( -2.979 0.000 2.400) 3.825 9.147 ( -7.119 0.000 -3.817) 8.078 9.186 ( -4.282 0.000 -5.056) 6.625 9.262 ( -2.845 0.000 -0.061) 2.846 9.544 ( -5.505 0.000 1.867) 5.813 9.670 ( 4.686 -0.000 8.280) 9.514 9.765 ( -1.205 0.000 -1.000) 1.565 9.823 ( 13.356 -0.000 0.333) 13.360 10.147 ( -6.543 0.000 -8.231) 10.515 10.242 ( 5.711 -0.000 0.228) 5.716 10.533 ( -4.745 0.000 1.753) 5.059 11.012 ( 4.591 -0.000 -4.881) 6.701 11.144 ( 1.662 -0.000 10.475) 10.606 11.299 ( 2.904 -0.000 3.420) 4.486 11.338 ( -2.839 0.000 -1.041) 3.024 11.596 ( 1.484 -0.000 -3.123) 3.457 11.674 ( -3.611 0.000 -2.614) 4.458 11.922 ( 5.864 -0.000 -0.185) 5.866 12.254 ( -13.522 0.000 4.191) 14.157 12.508 ( 1.130 -0.000 -0.477) 1.226 12.577 ( -5.401 0.000 0.005) 5.401 12.589 ( -3.941 0.000 -5.481) 6.751 12.909 ( 1.334 -0.000 -1.137) 1.753 12.987 ( 6.750 -0.000 -11.254) 13.124 13.306 ( -0.990 0.000 7.989) 8.050 13.480 ( -0.089 0.000 0.080) 0.120 13.627 ( 2.530 -0.000 1.190) 2.796 13.645 ( 3.969 -0.000 1.879) 4.391 14.514 ( 3.343 -0.000 -2.112) 3.954 14.555 ( 3.104 -0.000 -0.094) 3.106 14.816 ( -3.480 0.000 5.126) 6.196 15.029 ( 1.502 -0.000 -3.108) 3.452 15.151 ( -1.885 0.000 -1.454) 2.381 15.257 ( -1.357 0.000 -0.892) 1.624 15.928 ( 14.849 -0.000 11.085) 18.531 16.044 ( -2.980 0.000 -32.125) 32.263 16.725 ( -2.193 0.000 0.821) 2.342 16.779 ( -1.538 0.000 1.066) 1.871 16.937 ( 0.767 -0.000 2.277) 2.402 17.086 ( 2.777 -0.000 -0.821) 2.896 17.296 ( -6.354 0.000 -4.638) 7.867 17.315 ( -1.123 0.000 5.928) 6.034 19.752 ( -2.302 0.000 -5.754) 6.197 20.019 ( 8.675 -0.000 -1.900) 8.881 20.881 ( -0.977 0.000 -0.144) 0.988 21.007 ( 1.084 -0.000 2.371) 2.607 22.106 ( -0.295 0.000 10.029) 10.033 22.338 ( -0.293 0.000 -2.777) 2.793 23.230 ( -2.192 0.000 0.817) 2.340 23.516 ( 1.739 -0.000 -1.460) 2.270 26.967 ( -0.054 0.000 0.120) 0.132 26.975 ( 0.060 -0.000 0.010) 0.061 29.403 ( -5.467 0.000 -4.217) 6.904 29.457 ( -1.486 0.000 1.201) 1.911 30.690 ( 3.317 -0.000 9.477) 10.040 30.850 ( 3.198 -0.000 3.512) 4.750 30.888 ( 3.576 -0.000 1.209) 3.775 31.474 ( 1.536 -0.000 4.811) 5.050 31.510 ( 10.390 -0.000 -2.193) 10.619 32.014 ( -5.070 0.000 -2.870) 5.826 32.017 ( 0.304 -0.000 -7.637) 7.644 32.276 ( -4.998 0.000 -27.006) 27.464 32.750 ( -3.534 0.000 0.226) 3.541 32.969 ( -0.484 0.000 -81.872) 81.873 33.574 ( 1.803 -0.000 2.839) 3.363 34.131 ( 2.233 -0.000 -4.547) 5.065 35.343 ( -1.437 0.000 1.743) 2.259 35.489 ( 0.411 -0.000 -1.409) 1.468 35.552 ( -2.624 0.000 4.556) 5.257 36.069 ( 4.415 -0.000 -1.357) 4.618 36.182 ( 1.486 -0.000 0.313) 1.519 36.410 ( 5.964 -0.000 1.484) 6.146 37.678 ( -0.791 0.000 76.723) 76.727 38.570 ( -6.203 0.000 -11.933) 13.449 ======================= Grid point 124 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -27.749 -12.113 0.993) 30.294 0.947 ( -19.809 -21.098 2.268) 29.029 1.543 ( -37.765 -28.267 -0.579) 47.176 2.205 ( -4.778 -2.054 -3.594) 6.322 2.478 ( -2.878 -2.943 -1.747) 4.472 2.682 ( 0.844 1.926 -0.561) 2.176 2.793 ( -0.645 10.490 -0.377) 10.517 3.096 ( 2.569 7.182 -4.951) 9.093 3.477 ( 4.354 -6.122 -0.277) 7.518 3.592 ( -3.496 -0.081 -1.724) 3.898 3.630 ( 7.267 -7.048 -2.888) 10.527 3.688 ( 5.995 -2.342 -0.935) 6.504 3.816 ( 4.879 0.333 0.765) 4.950 4.018 ( -3.503 -1.234 5.969) 7.030 4.169 ( 5.662 6.348 -7.408) 11.280 4.445 ( 9.399 -4.013 0.338) 10.225 4.551 ( -3.202 -3.052 10.329) 11.237 4.842 ( 6.512 2.441 -0.329) 6.963 4.989 ( -1.740 -4.203 -3.870) 5.972 5.108 ( 8.725 4.327 3.964) 10.515 5.223 ( -3.445 -10.467 3.281) 11.497 5.332 ( 3.712 1.330 2.176) 4.503 5.487 ( 2.375 2.454 0.978) 3.552 5.605 ( -2.314 -3.076 1.786) 4.243 5.873 ( -5.282 9.049 -1.643) 10.606 5.973 ( -3.535 5.859 -1.672) 7.044 6.085 ( -6.797 4.670 3.030) 8.786 6.372 ( -0.846 -2.223 -2.925) 3.770 6.588 ( -0.855 4.477 2.161) 5.044 6.715 ( 2.388 -1.488 3.439) 4.444 7.693 ( -5.924 -0.712 -5.064) 7.826 7.980 ( 7.554 0.534 10.128) 12.646 8.211 ( -0.181 6.607 -1.989) 6.902 8.382 ( 1.755 -0.592 -4.499) 4.866 8.993 ( -3.287 2.522 4.131) 5.851 9.087 ( -6.890 -0.462 -3.149) 7.589 9.144 ( -2.671 -4.332 -2.314) 5.591 9.249 ( -0.492 1.818 -0.121) 1.887 9.498 ( -6.405 1.213 2.356) 6.931 9.716 ( 0.051 -2.451 1.182) 2.721 9.787 ( 4.424 -0.268 -0.658) 4.480 9.863 ( -0.603 6.045 -3.928) 7.235 10.060 ( -5.558 -3.959 -3.798) 7.809 10.268 ( 3.635 1.399 1.676) 4.240 10.486 ( -4.509 2.935 3.215) 6.267 10.939 ( 4.813 9.075 -1.356) 10.361 11.198 ( 1.337 4.620 8.770) 10.003 11.240 ( 0.261 4.956 2.310) 5.474 11.359 ( 3.239 -2.439 0.599) 4.098 11.592 ( -0.360 0.685 -4.144) 4.215 11.633 ( -3.864 0.910 -0.924) 4.076 11.871 ( -10.247 7.808 0.582) 12.895 12.061 ( -2.342 0.709 3.490) 4.262 12.405 ( -6.402 4.708 -2.554) 8.347 12.494 ( 0.203 2.473 -1.235) 2.772 12.647 ( -1.456 -4.594 -3.551) 5.986 12.859 ( 2.559 4.728 -3.269) 6.292 12.984 ( 3.832 -1.774 -5.919) 7.271 13.257 ( -2.770 4.238 7.817) 9.313 13.512 ( 0.257 -1.720 -1.545) 2.326 13.591 ( 0.003 3.992 -0.699) 4.053 13.776 ( 4.528 -7.827 2.971) 9.518 14.411 ( -11.611 10.943 -8.791) 18.217 14.565 ( 1.222 0.597 -0.026) 1.361 14.755 ( -3.999 -9.608 2.733) 10.760 15.141 ( 3.248 -5.543 1.721) 6.651 15.340 ( -4.099 -10.689 -3.617) 12.006 15.455 ( 10.829 -14.252 3.002) 18.149 15.879 ( 3.910 -0.933 -12.026) 12.681 16.204 ( 7.108 -3.238 -3.355) 8.501 16.658 ( 1.541 5.047 -0.126) 5.278 16.872 ( 12.716 -13.308 -6.294) 19.453 16.990 ( 3.043 -4.543 -0.183) 5.471 17.144 ( 3.045 -4.865 -3.365) 6.653 17.261 ( -4.665 -3.020 -2.677) 6.168 17.367 ( -2.990 -2.665 3.735) 5.476 19.750 ( 0.189 -3.482 -2.480) 4.279 20.092 ( 7.679 -2.375 -2.583) 8.443 20.788 ( -1.476 8.134 1.610) 8.422 20.993 ( 1.006 4.739 0.809) 4.912 22.169 ( -5.379 -2.166 7.151) 9.207 22.399 ( 0.419 -7.891 -2.813) 8.388 23.149 ( -0.421 5.563 4.135) 6.944 23.508 ( 3.284 3.305 -1.767) 4.983 27.055 ( -0.301 -9.682 0.124) 9.688 27.549 ( 32.590 -44.537 2.209) 55.232 29.206 ( -5.174 13.563 -4.762) 15.277 29.343 ( -1.378 12.230 1.170) 12.363 30.767 ( -2.932 -0.687 -3.764) 4.820 30.922 ( 1.355 -3.728 5.968) 7.166 30.943 ( 2.048 -3.091 0.078) 3.709 31.261 ( -15.313 4.875 -19.004) 24.888 31.689 ( 9.310 -2.201 2.805) 9.969 31.777 ( -4.339 2.146 -23.419) 23.914 31.951 ( -1.682 5.346 1.907) 5.920 32.141 ( -4.113 -9.001 -36.345) 37.668 32.664 ( -7.535 -5.748 -13.603) 16.579 32.821 ( -2.364 -9.423 0.644) 9.736 33.580 ( 1.375 2.287 1.907) 3.280 34.083 ( 1.754 4.238 -3.812) 5.964 35.352 ( -1.641 -1.091 1.802) 2.670 35.478 ( -0.069 0.223 -0.436) 0.495 35.574 ( -2.151 -1.534 4.344) 5.085 36.041 ( 2.924 2.333 -1.236) 3.940 36.317 ( 1.917 -8.217 0.123) 8.439 36.448 ( 4.697 1.557 1.445) 5.155 37.817 ( -5.538 25.261 57.786) 63.309 38.415 ( -2.249 6.670 -10.496) 12.638 ======================= Grid point 132 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -25.446 0.000 5.347) 26.002 0.614 ( -31.428 0.000 11.874) 33.596 0.963 ( -45.298 0.000 22.330) 50.503 2.150 ( -5.322 0.000 6.343) 8.280 2.341 ( -8.501 0.000 -2.141) 8.767 2.725 ( -0.408 0.000 -5.133) 5.150 2.947 ( 1.457 -0.000 0.645) 1.593 3.287 ( -2.020 0.000 -2.742) 3.406 3.418 ( 19.114 -0.000 -3.073) 19.360 3.565 ( 7.410 -0.000 -4.219) 8.527 3.587 ( -1.787 0.000 2.681) 3.222 3.675 ( 6.223 -0.000 -3.020) 6.917 3.849 ( 4.949 -0.000 -0.710) 5.000 4.034 ( 1.054 -0.000 7.099) 7.176 4.273 ( 0.549 -0.000 -8.929) 8.946 4.349 ( 2.553 -0.000 -0.041) 2.554 4.559 ( -4.552 0.000 9.955) 10.947 4.813 ( -6.112 0.000 0.085) 6.113 4.935 ( 3.152 -0.000 -2.925) 4.300 5.113 ( 0.938 -0.000 -3.173) 3.308 5.371 ( 3.385 -0.000 -2.700) 4.330 5.377 ( 19.506 -0.000 13.727) 23.852 5.477 ( -2.377 0.000 4.093) 4.733 5.690 ( 7.271 -0.000 -2.039) 7.552 5.952 ( -5.545 0.000 -3.879) 6.767 5.962 ( -8.352 0.000 0.326) 8.359 6.037 ( -11.449 0.000 -3.269) 11.907 6.330 ( 0.343 -0.000 -1.331) 1.375 6.633 ( -1.304 0.000 0.831) 1.546 6.713 ( -0.296 0.000 -0.404) 0.501 7.644 ( -1.326 0.000 1.903) 2.319 8.124 ( 12.009 -0.000 16.349) 20.286 8.315 ( -1.116 0.000 -3.170) 3.361 8.347 ( 4.447 -0.000 1.336) 4.643 8.999 ( -3.660 0.000 2.217) 4.279 9.069 ( -1.302 0.000 -0.677) 1.467 9.092 ( 0.190 -0.000 -4.016) 4.020 9.227 ( -3.835 0.000 -1.273) 4.041 9.475 ( -6.470 0.000 4.101) 7.660 9.742 ( -0.531 0.000 -5.869) 5.893 9.747 ( 0.292 -0.000 -4.075) 4.086 9.874 ( -7.846 0.000 -8.550) 11.605 10.047 ( 6.238 -0.000 6.822) 9.244 10.314 ( 3.904 -0.000 0.787) 3.983 10.511 ( -4.244 0.000 6.887) 8.090 11.127 ( 9.279 -0.000 2.398) 9.584 11.238 ( 1.052 -0.000 -0.222) 1.075 11.274 ( -6.170 0.000 1.858) 6.443 11.368 ( 1.780 -0.000 2.963) 3.457 11.621 ( 3.805 -0.000 -4.172) 5.646 11.656 ( 1.393 -0.000 2.095) 2.516 11.964 ( -1.681 0.000 -6.198) 6.422 12.198 ( -17.711 0.000 -13.447) 22.237 12.449 ( 12.958 -0.000 25.116) 28.262 12.453 ( -2.589 0.000 -3.634) 4.462 12.511 ( 1.182 -0.000 -1.142) 1.643 12.939 ( 1.551 -0.000 0.094) 1.554 12.954 ( 4.915 -0.000 -10.173) 11.298 13.312 ( -8.693 0.000 1.113) 8.764 13.456 ( -0.927 0.000 -1.100) 1.439 13.678 ( 2.790 -0.000 -2.973) 4.077 13.709 ( 2.320 -0.000 1.343) 2.680 14.541 ( 2.934 -0.000 -2.003) 3.553 14.553 ( -12.625 0.000 -18.144) 22.104 14.656 ( -21.010 0.000 -32.695) 38.864 14.807 ( -4.000 0.000 3.984) 5.646 15.093 ( -1.207 0.000 -0.735) 1.413 15.186 ( -1.959 0.000 -3.078) 3.649 15.568 ( -6.051 0.000 -8.419) 10.368 16.240 ( 8.162 -0.000 7.584) 11.142 16.663 ( -4.916 0.000 -0.995) 5.016 16.748 ( -1.434 0.000 -1.484) 2.064 16.962 ( -0.088 0.000 0.400) 0.410 17.094 ( 2.207 -0.000 -4.192) 4.737 17.189 ( -2.188 0.000 -1.176) 2.484 17.348 ( -3.752 0.000 5.950) 7.034 19.714 ( 1.290 -0.000 0.403) 1.351 20.146 ( 5.856 -0.000 2.569) 6.395 20.875 ( -0.360 0.000 0.909) 0.978 21.073 ( 3.293 -0.000 2.035) 3.871 22.207 ( -1.498 0.000 -0.040) 1.498 22.310 ( 0.824 -0.000 -2.710) 2.833 23.219 ( -1.363 0.000 2.742) 3.062 23.523 ( 1.419 -0.000 -1.838) 2.322 26.967 ( -0.076 0.000 0.050) 0.091 26.976 ( 0.043 -0.000 -0.018) 0.047 29.315 ( 0.031 -0.000 2.462) 2.462 29.439 ( -2.167 0.000 1.102) 2.431 30.682 ( -52.632 0.000 -79.431) 95.286 30.799 ( 0.544 -0.000 4.037) 4.073 30.924 ( 0.162 -0.000 4.550) 4.553 30.935 ( 1.670 -0.000 -0.699) 1.810 31.543 ( -1.430 0.000 5.395) 5.581 31.693 ( 3.859 -0.000 -2.084) 4.386 31.921 ( -3.184 0.000 -0.656) 3.251 32.080 ( -0.242 0.000 1.513) 1.532 32.521 ( -2.771 0.000 2.168) 3.519 32.704 ( -2.606 0.000 0.463) 2.647 33.617 ( 0.704 -0.000 1.016) 1.236 34.110 ( 1.520 -0.000 -4.759) 4.996 35.338 ( -1.530 0.000 1.531) 2.164 35.486 ( 1.123 -0.000 -1.205) 1.647 35.569 ( -1.342 0.000 3.593) 3.835 36.101 ( 2.860 -0.000 -3.459) 4.488 36.215 ( 1.562 -0.000 1.326) 2.049 36.510 ( 3.338 -0.000 2.417) 4.121 38.401 ( 1.142 -0.000 -9.643) 9.710 38.690 ( 23.095 -0.000 37.216) 43.799 ======================= Grid point 133 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 6.232 -0.000 23.863) 24.663 1.283 ( 4.858 -0.000 27.465) 27.892 1.861 ( -3.687 0.000 -9.139) 9.855 2.058 ( 2.624 -0.000 29.279) 29.396 2.201 ( 1.004 -0.000 -12.702) 12.742 2.883 ( 6.153 -0.000 -4.393) 7.560 3.009 ( 1.465 -0.000 0.953) 1.748 3.041 ( -2.408 0.000 3.699) 4.413 3.552 ( -1.141 0.000 -5.087) 5.214 3.596 ( 2.301 -0.000 1.477) 2.734 3.633 ( 7.088 -0.000 3.825) 8.054 3.652 ( 3.198 -0.000 -2.269) 3.921 3.827 ( 2.848 -0.000 -4.370) 5.216 3.830 ( -5.607 0.000 -10.712) 12.091 4.172 ( 1.640 -0.000 2.857) 3.295 4.363 ( -6.133 0.000 -3.826) 7.229 4.817 ( 2.933 -0.000 2.207) 3.671 4.829 ( -2.637 0.000 7.214) 7.680 4.980 ( 5.371 -0.000 5.179) 7.461 5.040 ( 1.982 -0.000 2.578) 3.252 5.180 ( -5.118 0.000 -1.080) 5.231 5.187 ( -0.788 0.000 -3.519) 3.606 5.393 ( -5.837 0.000 -6.231) 8.538 5.517 ( -16.659 0.000 -10.987) 19.956 5.767 ( 7.833 -0.000 -0.114) 7.834 5.887 ( 0.828 -0.000 -3.263) 3.366 6.209 ( 1.057 -0.000 8.757) 8.821 6.317 ( 3.664 -0.000 -1.431) 3.934 6.548 ( 0.671 -0.000 -3.082) 3.154 6.578 ( -5.405 0.000 -1.554) 5.624 7.959 ( 2.964 -0.000 1.952) 3.549 8.012 ( -10.618 0.000 -6.645) 12.526 8.361 ( 1.539 -0.000 3.692) 4.000 8.546 ( 0.471 -0.000 0.726) 0.866 8.947 ( -2.643 0.000 -0.277) 2.657 8.958 ( 4.657 -0.000 1.686) 4.953 9.111 ( 2.230 -0.000 1.402) 2.634 9.226 ( 6.580 -0.000 5.418) 8.524 9.448 ( -4.577 0.000 -4.301) 6.281 9.457 ( -1.041 0.000 -8.376) 8.441 9.695 ( -1.709 0.000 9.703) 9.852 9.997 ( 6.378 -0.000 -0.704) 6.417 10.346 ( -5.803 0.000 0.738) 5.850 10.383 ( -0.074 0.000 0.038) 0.084 10.716 ( -3.072 0.000 3.187) 4.426 10.757 ( 5.952 -0.000 -5.696) 8.238 11.031 ( -7.136 0.000 -0.221) 7.139 11.292 ( -3.041 0.000 3.248) 4.449 11.360 ( -5.703 0.000 -9.069) 10.713 11.449 ( 6.219 -0.000 -4.301) 7.561 11.733 ( 4.577 -0.000 7.205) 8.536 11.792 ( -1.337 0.000 3.869) 4.094 12.272 ( 4.346 -0.000 6.444) 7.772 12.495 ( 4.051 -0.000 -2.471) 4.745 12.582 ( 7.888 -0.000 3.057) 8.460 12.731 ( -12.755 0.000 -2.719) 13.041 12.882 ( 3.583 -0.000 -2.761) 4.523 12.910 ( -0.113 0.000 -2.143) 2.146 13.373 ( 0.477 -0.000 -2.035) 2.090 13.463 ( -6.424 0.000 -1.458) 6.588 13.546 ( 1.644 -0.000 -1.658) 2.335 13.551 ( -1.252 0.000 -2.496) 2.793 14.522 ( 1.489 -0.000 -0.901) 1.740 14.558 ( -0.216 0.000 -1.915) 1.927 14.816 ( 22.079 -0.000 7.469) 23.308 14.866 ( -4.070 0.000 3.885) 5.626 15.076 ( 5.731 -0.000 -3.827) 6.891 15.111 ( -3.973 0.000 -2.344) 4.613 15.947 ( 16.377 -0.000 8.237) 18.331 16.190 ( -13.829 0.000 -2.720) 14.094 16.621 ( -0.506 0.000 -1.633) 1.710 16.627 ( -0.192 0.000 -3.546) 3.551 16.969 ( -0.574 0.000 0.907) 1.073 16.987 ( 2.047 -0.000 -1.936) 2.818 17.287 ( 5.658 -0.000 3.427) 6.615 17.373 ( -7.164 0.000 0.477) 7.180 19.942 ( 5.808 -0.000 7.209) 9.257 20.151 ( -4.930 0.000 -2.069) 5.346 20.944 ( -0.138 0.000 2.979) 2.982 21.051 ( -0.396 0.000 -1.295) 1.354 22.036 ( -8.486 0.000 3.713) 9.263 22.234 ( 4.649 -0.000 -4.271) 6.313 23.267 ( -3.023 0.000 3.335) 4.501 23.443 ( 1.762 -0.000 -4.042) 4.410 26.972 ( -0.043 0.000 0.196) 0.201 26.976 ( 0.056 -0.000 0.003) 0.056 29.426 ( 1.742 -0.000 1.330) 2.192 29.440 ( -1.840 0.000 0.674) 1.960 30.796 ( -0.610 0.000 -0.808) 1.012 30.845 ( 1.233 -0.000 -3.057) 3.296 31.072 ( -17.280 0.000 8.225) 19.138 31.300 ( 52.980 -0.000 1.065) 52.991 31.529 ( -10.272 0.000 0.165) 10.273 31.556 ( -2.226 0.000 -4.299) 4.841 32.045 ( 3.233 -0.000 5.542) 6.416 32.173 ( 2.281 -0.000 0.900) 2.452 32.700 ( -2.399 0.000 1.151) 2.661 32.795 ( 20.919 -0.000 -2.401) 21.056 33.628 ( -2.530 0.000 1.818) 3.116 33.889 ( 2.454 -0.000 -9.264) 9.584 35.378 ( -2.124 0.000 2.572) 3.336 35.479 ( 2.346 -0.000 -1.233) 2.650 35.659 ( -2.150 0.000 4.227) 4.743 35.934 ( 1.627 -0.000 -7.343) 7.521 36.368 ( 1.936 -0.000 6.189) 6.484 36.561 ( -3.251 0.000 -0.916) 3.378 38.167 ( -46.778 0.000 0.868) 46.786 38.301 ( 20.989 -0.000 -5.290) 21.646 ======================= Grid point 134 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 9.700 -27.264 16.756) 33.439 1.583 ( 6.904 -10.945 24.157) 27.405 1.902 ( -3.030 -12.013 -14.451) 19.035 2.190 ( 8.613 -4.216 4.909) 10.772 2.343 ( 11.247 -9.243 5.112) 15.429 2.816 ( 1.917 5.076 -9.548) 10.982 2.935 ( -2.356 6.283 0.677) 6.745 2.994 ( 3.193 5.885 3.259) 7.447 3.449 ( -2.106 4.412 -1.891) 5.241 3.536 ( 0.697 7.360 -3.290) 8.092 3.615 ( 1.365 3.020 1.453) 3.619 3.699 ( 2.891 1.723 2.390) 4.128 3.749 ( -7.411 -1.037 -8.150) 11.064 3.896 ( 1.481 -6.595 -3.885) 7.796 4.195 ( 0.523 1.110 4.691) 4.848 4.286 ( -8.239 -0.751 -6.473) 10.504 4.847 ( -4.361 -0.219 4.642) 6.373 4.884 ( -1.717 -1.196 1.998) 2.893 4.967 ( -8.144 2.710 5.598) 10.247 5.123 ( 7.045 2.452 4.864) 8.905 5.188 ( -1.603 -5.546 -2.715) 6.380 5.246 ( 7.763 -2.596 0.809) 8.225 5.356 ( -14.884 -4.884 -7.957) 17.570 5.415 ( 7.434 -8.833 -1.953) 11.708 5.809 ( 5.974 2.046 0.128) 6.316 5.826 ( -1.518 3.358 -4.711) 5.981 6.236 ( -1.613 0.267 4.553) 4.837 6.354 ( 4.501 -0.566 -0.899) 4.625 6.476 ( -6.983 4.433 -2.588) 8.667 6.513 ( 3.317 4.625 -0.231) 5.696 7.869 ( -4.443 2.925 0.793) 5.378 7.978 ( -1.109 0.199 -3.235) 3.426 8.396 ( 6.982 2.637 7.927) 10.888 8.500 ( -4.479 2.827 -4.023) 6.651 8.926 ( -4.596 -1.102 0.538) 4.757 9.098 ( 10.745 -6.708 -1.730) 12.785 9.142 ( 1.510 0.609 4.469) 4.757 9.290 ( 3.057 1.178 2.789) 4.302 9.376 ( -2.044 0.938 -4.108) 4.683 9.423 ( 0.303 -1.718 -6.066) 6.312 9.775 ( 0.449 -2.835 8.704) 9.165 10.032 ( 1.727 -1.829 -4.793) 5.413 10.246 ( -2.039 6.793 3.350) 7.844 10.342 ( 0.356 5.046 -0.126) 5.060 10.641 ( -5.588 4.256 -0.495) 7.041 10.770 ( 8.431 3.572 -2.254) 9.430 11.056 ( -6.539 -4.688 5.256) 9.610 11.293 ( -0.353 -0.295 2.416) 2.459 11.330 ( -2.051 -6.070 -6.231) 8.937 11.451 ( 7.529 2.096 -3.994) 8.776 11.720 ( 2.966 6.086 4.884) 8.348 11.808 ( 5.101 5.092 1.670) 7.398 12.252 ( -3.320 4.446 5.859) 8.069 12.463 ( -0.709 2.346 -4.764) 5.358 12.555 ( -2.823 5.327 1.340) 6.176 12.628 ( 0.761 3.491 -1.134) 3.749 12.845 ( -0.591 3.773 -2.112) 4.364 12.877 ( 2.428 3.032 -1.821) 4.290 13.381 ( -0.104 -1.646 4.026) 4.351 13.475 ( -6.000 -5.400 -4.128) 9.067 13.528 ( 1.239 -0.702 0.299) 1.455 13.569 ( 2.802 -0.297 -2.226) 3.591 14.503 ( 2.981 -0.279 2.626) 3.982 14.569 ( 0.248 -1.476 -1.802) 2.342 14.893 ( -1.624 -5.069 6.333) 8.273 15.055 ( -3.235 -7.532 -1.899) 8.415 15.162 ( -6.480 -9.220 -8.529) 14.133 15.255 ( 5.081 -15.712 -4.286) 17.061 16.073 ( 2.618 1.717 3.579) 4.755 16.114 ( 2.810 -0.590 1.018) 3.047 16.555 ( -2.265 5.009 -2.777) 6.159 16.611 ( 0.687 -1.224 -4.640) 4.848 17.004 ( 1.009 -4.382 1.659) 4.793 17.059 ( -0.276 -5.259 -2.704) 5.919 17.352 ( -3.335 -3.375 0.484) 4.770 17.391 ( 4.854 -3.561 2.524) 6.528 20.032 ( 4.653 -0.747 6.161) 7.757 20.104 ( -3.381 -1.208 -3.078) 4.729 20.881 ( -0.973 7.997 3.081) 8.626 20.984 ( 0.401 6.201 -1.858) 6.486 22.064 ( -6.025 -6.922 4.997) 10.450 22.321 ( 5.054 -7.472 -4.157) 9.932 23.202 ( -3.136 6.327 4.391) 8.315 23.401 ( 2.534 4.025 -4.349) 6.445 27.084 ( 0.159 -12.425 1.820) 12.559 27.177 ( -1.908 -19.817 -5.245) 20.588 29.316 ( -2.053 12.549 0.328) 12.720 29.357 ( 4.729 10.463 1.435) 11.572 30.793 ( -0.701 -1.292 0.349) 1.511 30.850 ( -2.528 -2.930 -3.772) 5.404 31.015 ( -22.406 -7.585 3.867) 23.969 31.471 ( 3.750 -0.250 3.600) 5.204 31.514 ( -1.053 -3.392 -6.924) 7.782 31.679 ( 18.827 1.398 -0.764) 18.894 32.027 ( 0.574 9.277 0.899) 9.338 32.145 ( 15.921 1.573 -1.440) 16.063 32.808 ( 0.252 -10.791 0.825) 10.825 33.014 ( 23.859 -4.801 -7.261) 25.397 33.597 ( -3.260 2.269 2.596) 4.745 33.827 ( 2.490 3.379 -8.489) 9.470 35.396 ( -1.870 -2.112 2.330) 3.659 35.487 ( 1.410 -0.080 -0.919) 1.685 35.686 ( -2.174 -1.909 5.248) 5.993 35.949 ( 2.187 -3.976 -7.059) 8.391 36.421 ( -0.023 -0.505 5.820) 5.842 36.520 ( -4.025 -0.279 -1.498) 4.304 37.721 ( -42.606 10.109 10.154) 44.951 38.371 ( 21.358 8.511 -2.680) 23.147 ======================= Grid point 135 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -6.864 -11.294 -6.451) 14.706 1.997 ( 10.759 -11.920 19.506) 25.265 2.141 ( -0.064 -21.901 4.694) 22.398 2.399 ( 6.565 0.105 9.021) 11.157 2.686 ( 1.779 3.112 -11.773) 12.307 2.694 ( 11.894 -22.797 -14.114) 29.333 2.869 ( -2.483 -2.709 -1.536) 3.983 2.978 ( 4.693 -2.674 3.757) 6.580 3.350 ( -0.028 5.453 -1.909) 5.778 3.445 ( 5.941 1.021 1.289) 6.164 3.518 ( 1.615 10.339 -2.829) 10.840 3.605 ( -0.296 3.511 -10.141) 10.736 3.703 ( -3.589 1.666 5.242) 6.567 3.992 ( -4.540 -3.547 -0.903) 5.832 4.165 ( -1.705 1.860 2.900) 3.844 4.239 ( 1.093 0.400 0.788) 1.405 4.770 ( -8.461 5.658 -0.800) 10.210 4.790 ( -5.345 3.465 3.470) 7.254 4.986 ( -0.814 -1.124 5.640) 5.809 5.080 ( -2.974 2.672 -0.893) 4.096 5.182 ( -4.797 -0.622 -3.626) 6.045 5.342 ( 10.434 -0.086 2.194) 10.662 5.438 ( -3.776 -8.185 -1.606) 9.156 5.701 ( 3.337 -4.514 1.821) 5.902 5.744 ( 4.582 -3.729 -2.655) 6.477 5.807 ( 4.941 1.426 1.273) 5.298 6.236 ( -5.167 -0.611 0.214) 5.208 6.293 ( -6.186 4.691 -2.226) 8.077 6.380 ( 1.153 2.948 0.463) 3.199 6.459 ( 5.186 2.863 0.415) 5.938 7.859 ( 0.768 -0.249 3.978) 4.059 7.918 ( -1.810 2.596 -4.114) 5.190 8.341 ( -8.178 4.348 -6.901) 11.550 8.465 ( 8.105 1.356 8.086) 11.529 8.921 ( -5.503 -0.829 0.829) 5.626 9.140 ( -1.899 -1.780 -1.877) 3.209 9.209 ( -2.571 2.064 -0.505) 3.336 9.320 ( 13.321 -1.244 0.863) 13.407 9.402 ( 2.682 -3.168 1.041) 4.279 9.458 ( 3.214 -2.803 -1.658) 4.576 9.850 ( -2.147 -1.146 1.913) 3.096 10.016 ( -3.509 0.292 -5.391) 6.438 10.134 ( 3.710 8.705 4.074) 10.302 10.239 ( 3.499 5.831 1.807) 7.036 10.539 ( -4.335 2.443 0.947) 5.065 10.729 ( 6.027 5.525 -1.844) 8.382 11.072 ( -5.487 0.883 5.499) 7.818 11.343 ( -2.223 -4.893 1.663) 5.626 11.443 ( 5.217 -2.690 -6.661) 8.878 11.494 ( 4.776 -6.074 2.153) 8.022 11.660 ( 6.280 6.717 1.269) 9.283 11.689 ( 3.626 9.534 -0.129) 10.201 12.236 ( -4.301 -2.587 2.861) 5.777 12.340 ( -3.987 3.973 -6.269) 8.425 12.470 ( -2.774 0.597 1.766) 3.342 12.562 ( 1.130 4.692 0.077) 4.827 12.712 ( -4.504 7.126 -2.591) 8.819 12.847 ( 4.241 2.936 0.042) 5.159 13.399 ( -1.759 1.246 4.324) 4.832 13.476 ( -4.736 0.046 -2.140) 5.197 13.588 ( -0.763 -4.585 -4.924) 6.772 13.648 ( 9.282 -5.517 4.148) 11.567 14.561 ( -5.758 -2.855 -5.506) 8.463 14.597 ( 3.242 -1.447 2.913) 4.592 14.974 ( -6.188 -4.347 1.495) 7.709 15.146 ( 1.654 -5.353 0.045) 5.603 15.290 ( -4.934 -12.119 -0.289) 13.088 15.466 ( -1.336 -9.508 -4.684) 10.683 16.082 ( 3.238 2.661 5.092) 6.595 16.185 ( 3.959 -4.976 -2.547) 6.850 16.451 ( -1.752 2.721 3.458) 4.736 16.581 ( -2.613 0.709 -7.781) 8.239 17.088 ( -2.698 -4.680 -2.079) 5.788 17.130 ( 0.847 -4.110 0.417) 4.217 17.421 ( -0.704 -4.805 -0.058) 4.857 17.493 ( 3.106 -2.068 1.525) 4.031 20.097 ( 1.347 -1.037 3.149) 3.578 20.125 ( -0.578 -5.044 -4.333) 6.675 20.710 ( -1.845 10.956 2.977) 11.502 20.831 ( 1.927 9.776 -2.746) 10.335 22.233 ( -3.509 -12.097 5.483) 13.737 22.503 ( 4.772 -10.773 -4.420) 12.584 23.069 ( -3.725 8.175 5.499) 10.533 23.299 ( 3.525 7.173 -3.897) 8.892 27.413 ( 0.260 -21.009 5.310) 21.671 27.502 ( -4.059 -22.504 -8.124) 24.268 28.984 ( -4.495 20.560 -0.889) 21.065 29.174 ( 9.179 16.218 1.406) 18.688 30.839 ( -2.528 -4.534 1.317) 5.355 30.894 ( -2.704 -7.450 -3.959) 8.860 31.034 ( -17.066 -9.418 1.028) 19.520 31.518 ( -5.453 -3.454 -5.657) 8.583 31.561 ( 0.722 -4.262 5.225) 6.781 31.665 ( 8.406 8.388 -0.029) 11.875 31.818 ( -0.344 11.971 -0.739) 11.999 32.316 ( 24.475 -2.138 -7.310) 25.633 33.031 ( 1.169 -12.015 -0.114) 12.072 33.190 ( 15.052 -1.947 -6.384) 16.466 33.532 ( -3.689 3.546 2.863) 5.863 33.721 ( 2.570 5.656 -6.269) 8.826 35.439 ( -1.694 -2.453 1.701) 3.433 35.501 ( 0.523 -1.207 -0.453) 1.391 35.748 ( -2.937 -3.099 7.115) 8.298 35.997 ( 2.361 -2.634 -5.486) 6.527 36.414 ( -5.518 1.332 3.211) 6.522 36.530 ( -1.400 -2.689 1.122) 3.233 37.369 ( -28.242 3.860 11.007) 30.556 38.293 ( 18.540 15.200 -3.195) 24.186 ======================= Grid point 136 (61/114) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -5.462 -2.266 -9.243) 10.972 2.241 ( 3.705 4.968 0.332) 6.206 2.312 ( -1.162 -1.133 7.517) 7.690 2.548 ( -13.045 -18.288 -0.550) 22.470 2.580 ( 6.136 5.722 3.104) 8.946 2.894 ( -4.823 -6.022 -12.746) 14.900 2.996 ( 0.232 -9.203 -5.997) 10.987 3.165 ( 2.814 -2.935 -3.828) 5.584 3.304 ( 6.635 7.553 -3.450) 10.629 3.433 ( 11.275 -10.496 5.508) 16.359 3.497 ( 1.100 5.318 -2.028) 5.797 3.599 ( 10.428 -4.679 0.819) 11.459 3.691 ( 3.662 -1.853 0.702) 4.164 3.904 ( -10.001 1.607 1.890) 10.304 4.209 ( 6.347 -0.572 -2.854) 6.983 4.277 ( 0.108 -1.499 8.046) 8.185 4.626 ( -10.753 3.304 5.277) 12.425 4.729 ( 1.389 1.218 -1.518) 2.391 4.910 ( -0.738 6.840 -5.076) 8.550 5.053 ( -1.199 1.190 1.838) 2.496 5.153 ( -2.049 -1.903 -3.111) 4.184 5.427 ( 2.544 1.691 4.892) 5.768 5.444 ( 2.218 1.042 -2.016) 3.173 5.675 ( -4.235 0.031 -0.071) 4.235 5.819 ( 4.275 0.675 -0.865) 4.413 5.916 ( -2.009 -2.259 5.519) 6.293 6.109 ( -5.110 2.675 -2.395) 6.245 6.288 ( 0.264 1.969 -0.221) 1.999 6.359 ( 1.523 -4.111 4.439) 6.239 6.509 ( 5.228 -2.699 -1.400) 6.048 7.800 ( -3.755 4.441 -2.842) 6.472 7.881 ( -2.179 -0.031 0.298) 2.199 8.197 ( -6.469 1.724 -5.355) 8.573 8.556 ( 7.820 0.559 4.210) 8.899 8.889 ( -0.773 -0.608 0.468) 1.089 9.087 ( -4.128 1.549 -1.009) 4.523 9.236 ( 2.002 -1.319 2.886) 3.752 9.408 ( 7.891 -0.322 1.404) 8.022 9.458 ( -0.225 0.503 1.589) 1.682 9.531 ( 3.240 -0.811 -1.344) 3.600 9.801 ( 0.515 2.267 -0.861) 2.479 9.940 ( -8.075 0.653 -1.390) 8.220 10.056 ( 6.060 4.472 -1.211) 7.628 10.235 ( -0.583 -1.915 0.635) 2.100 10.481 ( 0.053 4.250 3.577) 5.555 10.669 ( 4.150 3.693 -3.615) 6.628 11.040 ( -4.083 1.397 5.406) 6.917 11.419 ( -3.921 -2.671 2.242) 5.247 11.444 ( 6.679 3.635 -2.820) 8.110 11.502 ( 0.730 4.601 -5.520) 7.223 11.582 ( 3.446 3.244 1.948) 5.118 11.766 ( 6.119 -7.992 1.181) 10.134 12.179 ( -5.652 -0.624 -4.505) 7.255 12.388 ( 3.853 -3.186 4.336) 6.618 12.448 ( -5.781 3.792 -1.156) 7.009 12.504 ( -1.139 -1.187 -0.100) 1.648 12.562 ( -1.890 -0.077 -0.276) 1.912 12.804 ( 5.784 7.648 1.394) 9.689 13.370 ( -2.216 2.617 3.367) 4.806 13.436 ( -1.168 -0.801 -1.837) 2.320 13.657 ( -3.931 -8.032 -4.756) 10.129 13.820 ( 6.879 -1.751 3.348) 7.849 14.445 ( -8.236 3.439 -8.831) 12.555 14.629 ( 0.197 0.652 2.852) 2.933 15.061 ( -2.267 -8.209 1.084) 8.585 15.287 ( 0.194 -6.085 3.552) 7.048 15.398 ( -0.080 -2.263 0.236) 2.277 15.550 ( 1.420 -2.577 -0.304) 2.958 16.113 ( 0.728 -1.456 5.004) 5.262 16.244 ( -0.701 -1.516 -5.657) 5.899 16.421 ( -4.159 5.412 -0.392) 6.837 16.573 ( 4.435 -7.831 -0.273) 9.004 17.114 ( -2.878 -2.688 -3.423) 5.217 17.217 ( 1.150 -3.426 2.212) 4.237 17.469 ( -1.328 -0.776 -1.444) 2.109 17.530 ( 1.403 -0.031 2.438) 2.813 20.133 ( -1.244 -2.394 -0.533) 2.750 20.202 ( 1.374 -4.342 -3.756) 5.903 20.526 ( -2.289 8.009 1.836) 8.530 20.663 ( 3.289 9.126 -1.985) 9.902 22.474 ( -1.886 -13.018 5.147) 14.125 22.707 ( 3.837 -10.167 -4.678) 11.831 22.927 ( -3.892 7.203 5.690) 9.970 23.160 ( 3.383 9.137 -2.975) 10.187 27.816 ( -4.211 -21.524 -5.909) 22.714 27.857 ( -0.427 -23.159 6.359) 24.020 28.546 ( -4.738 22.768 -0.864) 23.271 28.954 ( 12.767 18.050 -0.338) 22.111 30.925 ( -4.535 -6.853 1.780) 8.408 31.021 ( -2.169 -9.891 -2.911) 10.536 31.079 ( -7.807 -5.839 0.659) 9.771 31.469 ( -2.059 4.480 -0.066) 4.931 31.566 ( 0.905 2.572 -8.936) 9.343 31.613 ( 0.503 8.439 -0.945) 8.507 31.684 ( -2.880 -3.902 8.083) 9.426 32.452 ( 22.375 2.677 -10.072) 24.684 33.203 ( 0.517 -5.898 -3.813) 7.042 33.263 ( 4.599 0.314 1.501) 4.848 33.474 ( -2.454 -1.041 -0.387) 2.693 33.606 ( 2.278 6.383 -2.183) 7.120 35.465 ( -1.926 -1.135 1.200) 2.537 35.529 ( 0.271 -1.333 -0.292) 1.391 35.819 ( -3.795 -2.520 8.189) 9.371 36.009 ( 1.424 0.325 -2.354) 2.770 36.360 ( -6.597 1.051 4.120) 7.849 36.569 ( -2.138 -1.569 2.775) 3.839 37.285 ( -13.140 -6.983 3.990) 15.406 38.109 ( 13.995 15.924 -4.725) 21.720 ======================= Grid point 137 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -9.823 9.134 -2.896) 13.722 2.100 ( 0.534 12.381 3.606) 12.907 2.248 ( -1.630 6.177 -8.914) 10.967 2.517 ( 2.918 0.317 8.832) 9.307 2.752 ( -7.701 -0.888 -0.225) 7.755 2.894 ( 2.237 -1.007 -5.305) 5.845 3.020 ( -1.418 -2.895 -4.735) 5.728 3.152 ( 4.564 -0.951 -10.077) 11.103 3.295 ( 2.095 3.243 -0.736) 3.931 3.432 ( -0.182 0.087 4.356) 4.360 3.639 ( 5.401 -3.291 -1.750) 6.562 3.686 ( -2.212 0.928 3.368) 4.135 3.809 ( 6.321 -3.225 5.563) 9.017 3.941 ( -0.093 -4.497 -4.928) 6.672 4.205 ( 2.338 2.073 -2.555) 4.037 4.319 ( -5.786 0.395 7.160) 9.214 4.581 ( -5.690 -2.971 5.053) 8.169 4.728 ( 1.049 -0.213 -7.299) 7.377 4.774 ( 5.731 3.473 -1.304) 6.827 5.080 ( 3.363 -3.616 -2.447) 5.511 5.174 ( 3.061 -1.743 0.150) 3.525 5.358 ( -10.133 -1.688 -1.179) 10.340 5.508 ( 10.825 0.680 1.803) 10.995 5.635 ( -5.659 -0.016 -0.676) 5.699 5.797 ( 0.010 3.005 0.940) 3.149 5.912 ( -5.702 0.670 4.125) 7.069 6.056 ( -1.610 1.745 2.626) 3.541 6.298 ( 3.199 -0.370 2.488) 4.069 6.456 ( 1.317 -2.239 0.399) 2.628 6.604 ( 4.515 -4.355 -2.833) 6.884 7.711 ( -1.797 1.508 0.223) 2.356 7.864 ( -1.609 -0.618 0.199) 1.735 8.095 ( -6.808 0.370 -5.115) 8.523 8.544 ( 3.849 5.210 -3.528) 7.375 8.998 ( 7.699 -3.468 7.856) 11.533 9.057 ( -2.912 -1.207 -0.175) 3.157 9.256 ( 2.803 3.339 4.456) 6.234 9.398 ( -2.939 3.708 0.528) 4.762 9.461 ( 1.159 -1.340 -1.922) 2.614 9.533 ( -0.844 -1.953 -1.718) 2.734 9.794 ( 2.219 6.524 1.623) 7.080 9.895 ( 0.041 -3.400 3.308) 4.743 10.058 ( -1.758 -4.754 -7.010) 8.651 10.277 ( -1.218 -1.624 2.911) 3.549 10.439 ( 0.203 0.832 1.697) 1.901 10.589 ( -0.184 4.275 -6.572) 7.842 11.028 ( -4.087 -0.268 5.778) 7.083 11.334 ( 4.258 5.341 -1.792) 7.062 11.433 ( 0.649 2.878 1.757) 3.434 11.508 ( -3.050 -3.556 1.596) 4.950 11.559 ( 2.753 2.228 -1.230) 3.749 11.914 ( -0.134 -4.582 -1.958) 4.985 12.204 ( -1.811 -6.991 -2.072) 7.513 12.250 ( -3.498 7.078 -2.144) 8.181 12.438 ( 2.817 0.197 -0.384) 2.850 12.606 ( 0.685 -2.456 1.325) 2.874 12.672 ( 4.212 4.075 1.596) 6.074 12.692 ( 1.978 -5.357 2.560) 6.258 13.326 ( -2.944 2.082 3.094) 4.751 13.460 ( 2.681 -1.742 -1.523) 3.542 13.750 ( -7.399 -7.004 -5.222) 11.448 13.801 ( 0.181 3.590 -0.274) 3.605 14.292 ( -3.166 5.333 -1.967) 6.507 14.634 ( 1.344 0.584 0.829) 1.683 15.210 ( -0.299 -5.805 3.734) 6.909 15.263 ( -2.585 2.652 -2.907) 4.708 15.484 ( 2.394 -2.411 -0.500) 3.435 15.632 ( 3.763 -4.304 4.605) 7.342 16.084 ( -3.414 9.018 -2.627) 9.994 16.225 ( -2.216 -6.064 -1.688) 6.673 16.310 ( -2.791 5.653 4.190) 7.570 16.787 ( 8.698 -9.286 -3.249) 13.132 17.105 ( -1.122 -0.149 -3.256) 3.448 17.282 ( 1.400 -0.870 2.742) 3.200 17.418 ( -2.918 2.284 -2.248) 4.334 17.551 ( 0.768 0.994 3.229) 3.465 20.150 ( 0.898 1.703 -2.023) 2.793 20.179 ( 1.217 5.222 -0.274) 5.369 20.496 ( -0.835 -6.408 -2.904) 7.084 20.558 ( 2.050 3.596 0.817) 4.219 22.663 ( -2.605 -0.340 3.587) 4.446 22.751 ( -1.547 -0.456 2.241) 2.761 22.950 ( 1.999 -6.173 -3.616) 7.428 23.012 ( 1.962 4.384 -0.054) 4.803 28.044 ( -1.317 18.258 0.581) 18.315 28.141 ( -3.639 -20.094 -4.778) 20.973 28.349 ( -2.828 -18.188 6.100) 19.391 28.729 ( 15.131 17.619 -3.814) 23.536 30.987 ( -5.430 -1.160 1.539) 5.762 31.101 ( -3.055 -4.134 0.712) 5.189 31.181 ( 1.072 -6.049 -2.908) 6.797 31.325 ( 2.311 10.294 0.256) 10.554 31.487 ( -1.466 2.929 -1.624) 3.656 31.526 ( -3.840 -4.997 -8.794) 10.819 31.771 ( -4.110 -1.912 11.042) 11.936 32.432 ( 15.790 9.144 -12.037) 21.860 33.172 ( -2.340 7.010 1.500) 7.541 33.279 ( 1.547 -0.164 0.502) 1.635 33.510 ( -0.713 3.782 0.440) 3.874 33.570 ( 1.674 -8.561 -3.236) 9.304 35.466 ( -1.679 0.130 1.298) 2.126 35.537 ( 0.018 0.427 -0.154) 0.454 35.851 ( -5.418 0.640 7.766) 9.491 35.996 ( 1.009 0.737 0.180) 1.263 36.345 ( -2.312 -0.737 4.845) 5.419 36.579 ( -2.500 0.144 2.113) 3.276 37.419 ( -4.634 -13.565 -0.498) 14.343 37.930 ( 8.200 9.620 -4.751) 13.504 ======================= Grid point 138 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -8.146 13.403 6.860) 17.119 1.857 ( -5.846 15.961 13.843) 21.921 2.185 ( 8.342 -0.785 -0.910) 8.428 2.576 ( 4.183 4.368 8.570) 10.489 2.645 ( 6.189 7.504 1.366) 9.823 2.818 ( 0.631 5.271 -4.688) 7.083 2.973 ( -8.922 21.923 -0.948) 23.687 3.033 ( -3.240 0.748 -4.359) 5.482 3.246 ( 0.231 -3.723 -8.130) 8.945 3.498 ( -2.445 -2.398 2.688) 4.353 3.590 ( -1.191 2.171 -4.263) 4.930 3.691 ( -0.207 -1.578 -2.174) 2.694 3.861 ( -4.089 4.918 -0.836) 6.451 3.933 ( 3.359 -3.114 -2.489) 5.213 4.174 ( -6.427 -1.175 0.004) 6.534 4.365 ( 6.967 -3.484 4.995) 9.254 4.624 ( -3.246 -4.827 -1.808) 6.091 4.802 ( 7.318 -5.155 -3.602) 9.649 4.809 ( 5.387 -0.468 3.382) 6.378 5.131 ( 1.377 -3.938 -4.776) 6.342 5.280 ( 7.987 0.030 3.644) 8.779 5.320 ( -13.016 -5.923 -7.252) 16.034 5.575 ( -2.817 -0.618 -2.054) 3.541 5.641 ( 2.732 -5.720 2.111) 6.681 5.730 ( 1.440 6.301 2.194) 6.825 5.884 ( 0.158 2.527 7.358) 7.781 6.034 ( -4.277 1.032 4.094) 6.010 6.324 ( 3.731 0.461 -2.869) 4.729 6.481 ( -2.516 -1.587 0.044) 2.975 6.656 ( 1.146 -1.403 -6.906) 7.140 7.704 ( 1.100 0.342 3.477) 3.663 7.913 ( 0.549 -4.239 -0.994) 4.388 8.058 ( -1.270 -3.007 0.518) 3.305 8.470 ( 4.455 4.138 -0.143) 6.082 9.021 ( -6.373 2.427 -0.012) 6.819 9.075 ( 0.262 0.920 -1.122) 1.474 9.280 ( 5.418 0.333 6.994) 8.853 9.353 ( -3.390 1.044 2.713) 4.466 9.456 ( -5.016 -1.789 -0.612) 5.361 9.581 ( 0.872 -2.269 -2.901) 3.785 9.702 ( 3.500 2.990 0.668) 4.651 9.958 ( 3.243 1.928 -0.556) 3.814 10.103 ( -0.831 -4.180 -3.528) 5.533 10.339 ( -1.958 -4.715 9.908) 11.146 10.381 ( -6.606 2.652 -5.602) 9.058 10.581 ( 3.108 -6.416 -1.534) 7.292 11.058 ( -3.802 -3.358 5.336) 7.362 11.306 ( 2.154 0.959 0.944) 2.540 11.392 ( -0.357 2.109 0.069) 2.140 11.525 ( 2.564 2.688 -2.167) 4.301 11.550 ( -5.532 -3.499 3.106) 7.245 11.882 ( -6.474 2.657 -3.513) 7.830 12.165 ( 2.422 0.430 -2.999) 3.878 12.326 ( -0.469 -6.329 0.862) 6.404 12.447 ( 4.042 10.979 2.087) 11.884 12.518 ( 3.402 -4.568 -1.863) 5.993 12.714 ( 0.208 -1.559 -1.848) 2.427 12.863 ( -0.311 -7.159 -1.102) 7.250 13.310 ( -2.156 -1.363 5.029) 5.639 13.497 ( 5.331 0.498 -2.068) 5.740 13.605 ( -3.779 6.589 -2.911) 8.135 13.911 ( -4.189 -10.248 -1.195) 11.136 14.149 ( -2.185 8.151 1.405) 8.555 14.629 ( 2.444 2.406 1.041) 3.584 15.092 ( -2.957 7.810 0.513) 8.367 15.410 ( 1.950 -6.821 -1.169) 7.190 15.477 ( 3.811 2.451 -1.240) 4.698 15.671 ( -2.015 5.558 -3.942) 7.105 15.943 ( -0.138 2.412 3.625) 4.357 16.181 ( -2.290 7.202 6.017) 9.660 16.344 ( -1.346 -8.887 -2.091) 9.229 16.932 ( 7.994 -1.848 -12.076) 14.599 17.078 ( 2.549 1.504 -0.853) 3.080 17.274 ( 0.941 4.322 0.687) 4.476 17.360 ( -2.202 0.929 0.715) 2.495 17.536 ( -0.595 2.663 3.186) 4.195 20.019 ( 1.514 9.562 3.309) 10.231 20.145 ( 5.328 3.063 -4.087) 7.381 20.569 ( -1.810 -4.887 2.203) 5.658 20.655 ( 1.091 -10.328 -2.602) 10.707 22.510 ( -6.122 9.803 3.869) 12.188 22.696 ( 2.451 10.347 -4.104) 11.398 23.004 ( -2.260 -7.827 3.291) 8.786 23.163 ( 2.993 -10.104 -3.236) 11.024 27.656 ( -0.591 21.222 1.300) 21.270 28.374 ( 5.076 8.206 -15.010) 17.844 28.533 ( 7.823 -10.805 -0.340) 13.344 28.772 ( -2.166 -18.592 6.187) 19.714 30.890 ( -1.926 8.733 0.512) 8.958 31.088 ( 1.462 5.569 -1.301) 5.903 31.136 ( 0.898 7.072 -5.677) 9.113 31.265 ( -2.663 -2.232 3.657) 5.045 31.537 ( 2.333 -6.692 1.526) 7.250 31.575 ( -2.094 -7.165 -4.583) 8.759 31.805 ( -6.450 0.203 10.831) 12.608 32.257 ( 7.805 12.371 -11.196) 18.420 33.010 ( -1.761 9.843 3.165) 10.488 33.234 ( 1.134 7.905 1.799) 8.185 33.499 ( -2.017 -3.088 1.977) 4.185 33.716 ( 2.291 -8.495 -6.343) 10.846 35.451 ( -1.117 1.251 1.718) 2.401 35.515 ( 0.165 1.845 -0.052) 1.853 35.802 ( -6.214 3.468 6.501) 9.639 36.008 ( 1.867 0.024 1.033) 2.134 36.400 ( 1.367 -2.565 3.944) 4.899 36.540 ( -0.143 3.550 -0.647) 3.612 37.666 ( -3.385 -17.275 0.669) 17.616 37.871 ( 1.990 -1.473 -3.145) 4.003 ======================= Grid point 139 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -1.920 16.749 15.100) 22.632 1.672 ( -5.062 12.653 26.250) 29.576 2.217 ( -10.487 27.079 7.310) 29.945 2.398 ( 1.090 3.688 3.649) 5.302 2.517 ( 2.648 12.366 2.407) 12.874 2.617 ( 3.522 2.968 1.502) 4.845 2.806 ( 0.036 -3.212 -4.232) 5.313 2.860 ( -0.988 6.285 1.168) 6.468 3.295 ( 3.291 -5.442 -8.174) 10.356 3.541 ( 4.132 -2.351 -5.040) 6.928 3.571 ( -3.775 -1.904 -2.026) 4.689 3.668 ( -4.365 -0.584 -1.661) 4.706 3.804 ( 1.309 -2.194 -4.305) 5.006 3.981 ( 4.234 -0.177 -1.710) 4.570 4.151 ( -2.722 0.319 1.342) 3.051 4.493 ( 3.182 -1.079 -1.265) 3.591 4.729 ( 3.714 -8.329 -0.583) 9.139 4.838 ( 3.382 1.062 2.499) 4.337 4.927 ( 3.381 -1.926 0.492) 3.922 5.156 ( -2.605 6.007 -4.277) 7.820 5.197 ( 0.132 -2.225 -7.297) 7.629 5.383 ( -0.973 -1.282 1.421) 2.147 5.541 ( -6.751 -0.862 -1.216) 6.913 5.622 ( -0.653 4.147 2.062) 4.677 5.774 ( 2.343 -3.851 -1.036) 4.625 5.937 ( -1.626 -0.335 6.440) 6.650 5.976 ( -2.266 0.839 3.002) 3.853 6.321 ( 3.846 0.852 -3.839) 5.501 6.496 ( -3.953 -3.860 -1.577) 5.746 6.616 ( -2.637 -0.921 -7.633) 8.128 7.771 ( 6.361 -0.824 8.020) 10.270 7.963 ( -4.150 -6.330 -4.540) 8.827 8.190 ( 2.715 -6.438 3.359) 7.753 8.470 ( 5.296 1.760 3.992) 6.861 8.907 ( -7.741 0.710 -0.713) 7.806 9.080 ( 0.900 -0.586 1.871) 2.157 9.251 ( 0.026 6.632 0.154) 6.634 9.298 ( -4.252 5.141 0.797) 6.719 9.467 ( -0.692 -1.487 1.323) 2.107 9.565 ( -4.831 -1.938 -6.017) 7.956 9.734 ( 0.714 0.831 1.662) 1.990 9.913 ( 4.195 2.418 -0.093) 4.843 10.147 ( 1.307 -1.720 4.368) 4.873 10.326 ( -0.490 -2.327 -2.670) 3.576 10.510 ( -3.571 -8.874 9.295) 13.338 10.718 ( 0.162 -7.428 -4.206) 8.538 11.160 ( -2.393 -7.241 4.465) 8.837 11.301 ( -3.312 1.239 0.506) 3.572 11.372 ( -0.532 -1.083 -2.370) 2.659 11.485 ( 1.278 0.719 -3.730) 4.008 11.591 ( -4.568 -2.964 5.395) 7.665 11.752 ( -5.756 2.843 -3.111) 7.134 12.160 ( 3.252 2.711 0.700) 4.292 12.362 ( 3.709 0.186 2.361) 4.401 12.420 ( -0.882 -2.968 0.438) 3.128 12.622 ( 3.392 -0.400 -2.837) 4.440 12.708 ( 2.381 -4.387 -2.282) 5.488 12.932 ( -0.300 -2.624 -3.037) 4.024 13.387 ( -3.229 -3.211 5.913) 7.463 13.476 ( 2.758 2.762 -3.023) 4.937 13.516 ( 1.098 0.511 -0.877) 1.496 13.901 ( -9.975 4.603 -6.163) 12.596 14.133 ( 8.009 -2.825 7.662) 11.438 14.599 ( 1.236 3.084 1.301) 3.569 14.948 ( -1.770 7.004 2.256) 7.568 15.314 ( -2.156 8.900 -5.410) 10.636 15.413 ( 1.168 10.385 -0.909) 10.490 15.617 ( 7.742 2.871 -10.033) 12.994 15.838 ( -0.076 9.479 5.955) 11.195 16.183 ( -4.186 -5.135 3.610) 7.545 16.498 ( 0.347 -9.373 -2.009) 9.592 16.833 ( 5.715 8.142 -14.543) 17.620 17.040 ( 3.400 5.990 -2.986) 7.507 17.190 ( 0.849 5.033 -1.024) 5.206 17.328 ( 0.489 3.687 3.305) 4.976 17.492 ( -2.963 2.399 2.914) 4.798 19.910 ( 2.807 6.656 4.723) 8.631 20.126 ( 4.755 1.047 -0.923) 4.956 20.694 ( -2.049 -8.662 3.058) 9.411 20.840 ( 1.625 -10.112 -2.222) 10.480 22.308 ( -7.923 8.743 3.807) 12.398 22.484 ( 2.824 11.604 -4.758) 12.856 23.139 ( -4.101 -7.176 2.845) 8.741 23.326 ( 2.518 -7.944 -4.867) 9.651 27.315 ( 0.149 17.501 1.722) 17.586 27.942 ( 5.845 28.397 -23.300) 37.194 28.908 ( 5.121 -19.745 2.833) 20.595 29.110 ( -3.581 -17.527 3.590) 18.246 30.711 ( 7.494 12.018 3.993) 14.715 30.993 ( 6.248 6.933 0.295) 9.337 30.999 ( 1.977 6.205 -4.180) 7.739 31.263 ( -3.836 3.188 5.638) 7.528 31.647 ( -4.137 -1.637 1.850) 4.818 31.708 ( 0.763 -8.931 1.479) 9.085 31.835 ( -0.784 -4.967 2.497) 5.615 32.022 ( 0.014 10.718 -5.241) 11.931 32.847 ( 1.064 10.093 4.288) 11.018 33.065 ( -0.672 11.721 2.464) 11.996 33.566 ( -1.582 -3.893 1.562) 4.483 33.828 ( 2.446 -6.491 -8.165) 10.714 35.425 ( -1.014 1.894 2.129) 3.025 35.484 ( 0.725 1.704 -0.166) 1.860 35.727 ( -4.835 3.539 5.490) 8.127 36.022 ( 2.644 0.734 -1.282) 3.029 36.420 ( 0.509 4.712 -1.319) 4.920 36.511 ( 3.242 -1.228 2.502) 4.275 37.944 ( 10.696 -10.245 -13.154) 19.809 38.012 ( -19.981 -21.933 12.851) 32.333 ======================= Grid point 140 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 4.496 16.409 20.955) 26.992 1.366 ( -6.399 30.606 21.057) 37.697 1.855 ( -8.341 5.430 33.557) 35.001 2.168 ( -7.443 13.257 -10.945) 18.733 2.329 ( -3.505 6.107 -7.002) 9.930 2.773 ( 9.700 -3.474 10.977) 15.055 2.902 ( -0.574 -9.312 2.633) 9.695 2.945 ( 3.709 -8.657 -7.256) 11.889 3.415 ( 10.846 -5.969 -2.533) 12.637 3.538 ( 0.346 -2.434 -4.116) 4.794 3.611 ( 1.795 -0.803 0.378) 2.002 3.652 ( -0.893 0.074 -0.249) 0.930 3.847 ( 3.028 -1.876 -4.867) 6.031 3.953 ( -0.246 3.510 -6.780) 7.639 4.147 ( 1.622 0.197 1.254) 2.059 4.445 ( -1.875 3.750 -2.481) 4.872 4.836 ( -1.066 2.426 6.848) 7.343 4.862 ( -1.713 2.633 0.024) 3.142 4.943 ( 8.351 -1.561 1.129) 8.570 5.006 ( 0.807 5.093 -1.306) 5.320 5.203 ( 0.583 -1.027 -5.574) 5.698 5.298 ( -7.500 4.268 -1.348) 8.734 5.483 ( -7.993 -0.327 -3.490) 8.728 5.627 ( -4.941 -3.788 -3.087) 6.949 5.781 ( -4.213 2.869 -6.354) 8.146 5.860 ( 0.851 -2.048 -1.584) 2.725 6.108 ( 5.204 -2.113 11.346) 12.660 6.314 ( 3.247 1.072 -2.100) 4.013 6.534 ( -3.124 -4.443 -3.544) 6.485 6.595 ( -3.896 -2.655 -3.317) 5.764 7.885 ( 5.539 -1.170 6.751) 8.811 8.041 ( -5.650 -7.638 -4.351) 10.450 8.303 ( -0.698 -4.976 -0.548) 5.055 8.512 ( 4.368 0.578 3.806) 5.823 8.909 ( -1.256 -2.519 3.560) 4.538 9.068 ( -7.792 5.717 1.250) 9.745 9.134 ( 1.188 3.846 -3.333) 5.226 9.167 ( 4.036 2.961 2.859) 5.765 9.483 ( -1.435 -0.877 -2.244) 2.804 9.515 ( -3.657 -0.735 -7.611) 8.476 9.697 ( -3.210 2.636 6.309) 7.554 9.949 ( 7.032 0.822 1.867) 7.322 10.267 ( 1.716 -6.081 5.746) 8.541 10.364 ( 0.465 -2.059 -0.917) 2.301 10.660 ( -3.191 -5.292 6.646) 9.076 10.769 ( -3.808 -4.326 -9.403) 11.029 11.168 ( -8.108 5.418 -2.918) 10.179 11.285 ( -3.500 -2.998 2.659) 5.320 11.388 ( 3.122 -2.701 -2.165) 4.661 11.461 ( -1.061 0.543 -7.404) 7.499 11.647 ( -4.872 -2.747 6.003) 8.205 11.741 ( 1.396 -4.142 3.735) 5.749 12.177 ( 3.141 -0.644 5.422) 6.299 12.446 ( 3.330 -1.663 0.492) 3.755 12.461 ( 5.568 -4.208 0.404) 6.991 12.690 ( -0.188 -7.382 1.649) 7.566 12.828 ( 4.970 -4.048 -1.797) 6.657 12.925 ( -1.880 -0.368 -3.752) 4.213 13.376 ( -2.682 0.903 0.852) 2.956 13.503 ( 3.198 -0.633 2.008) 3.829 13.529 ( -0.154 -1.656 -1.206) 2.055 13.677 ( -7.990 7.069 -7.518) 13.051 14.325 ( 10.838 -5.724 7.811) 14.534 14.568 ( 0.686 1.088 -0.205) 1.303 14.828 ( 0.935 8.631 4.355) 9.713 15.117 ( -1.095 6.014 -4.133) 7.379 15.214 ( 3.700 19.601 -5.421) 20.671 15.271 ( 6.072 21.681 -8.659) 24.123 15.830 ( 9.590 3.483 8.309) 13.158 16.249 ( -8.765 -5.218 -0.462) 10.210 16.616 ( -0.040 -4.274 -3.753) 5.688 16.661 ( 0.893 4.371 -5.982) 7.462 16.951 ( 2.251 3.056 0.292) 3.806 17.085 ( 0.630 6.416 -2.029) 6.758 17.279 ( 2.634 4.303 2.946) 5.842 17.436 ( -5.796 1.680 1.873) 6.318 19.885 ( 4.686 2.889 6.238) 8.320 20.161 ( -0.780 -2.194 -0.160) 2.334 20.856 ( -0.540 -7.486 3.128) 8.131 20.995 ( 0.908 -6.736 -1.661) 6.997 22.135 ( -9.142 5.120 3.328) 10.994 22.302 ( 3.727 7.917 -4.740) 9.951 23.225 ( -4.938 -4.929 3.057) 7.617 23.422 ( 1.897 -3.882 -4.921) 6.549 27.066 ( 0.094 10.810 0.983) 10.855 27.293 ( -0.179 29.420 -11.904) 31.737 29.274 ( 2.968 -14.010 1.931) 14.451 29.357 ( -2.992 -10.665 1.390) 11.164 30.723 ( 17.810 1.094 4.749) 18.465 30.896 ( 3.123 5.079 -3.406) 6.867 30.981 ( 22.746 5.590 4.425) 23.837 31.174 ( -7.575 5.546 8.811) 12.875 31.594 ( -6.584 1.347 0.103) 6.721 31.720 ( -7.090 6.489 -4.996) 10.832 31.929 ( 6.818 -4.222 4.119) 9.015 32.039 ( -1.096 -10.440 2.513) 10.794 32.732 ( 5.737 7.299 3.485) 9.916 32.857 ( 0.435 11.778 1.546) 11.887 33.616 ( -1.896 -2.196 1.396) 3.220 33.890 ( 2.434 -3.579 -9.078) 10.058 35.395 ( -1.669 1.608 2.481) 3.395 35.471 ( 1.738 0.514 -0.698) 1.943 35.673 ( -3.105 2.047 4.498) 5.837 35.991 ( 2.478 2.625 -6.075) 7.067 36.349 ( 1.984 3.311 3.227) 5.031 36.564 ( -0.234 -1.372 0.860) 1.636 38.131 ( 15.738 -6.734 -9.288) 19.476 38.286 ( -34.065 -21.604 2.721) 40.430 ======================= Grid point 142 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 15.241 -0.000 20.134) 25.253 1.662 ( 2.631 -0.000 -3.437) 4.328 1.753 ( 14.201 -0.000 10.136) 17.447 2.142 ( 14.617 -0.000 -19.192) 24.125 2.480 ( 10.149 -0.000 16.732) 19.570 2.836 ( 4.105 -0.000 -10.837) 11.588 2.996 ( -4.967 0.000 0.125) 4.968 3.077 ( 1.403 -0.000 1.054) 1.755 3.453 ( -4.753 0.000 -2.010) 5.160 3.498 ( -14.739 0.000 -2.734) 14.990 3.637 ( -7.130 0.000 -5.754) 9.162 3.642 ( 2.221 -0.000 -4.817) 5.305 3.763 ( 3.365 -0.000 3.516) 4.867 3.818 ( -1.305 0.000 -1.791) 2.216 4.199 ( -3.730 0.000 -4.123) 5.560 4.240 ( 0.380 -0.000 6.332) 6.343 4.806 ( -13.642 0.000 4.452) 14.350 4.857 ( -0.322 0.000 0.860) 0.918 4.973 ( -3.953 0.000 -0.013) 3.953 5.081 ( -3.791 0.000 2.042) 4.306 5.143 ( -12.450 0.000 -7.176) 14.370 5.275 ( 10.335 -0.000 6.376) 12.144 5.344 ( 15.016 -0.000 3.442) 15.405 5.386 ( 10.314 -0.000 1.796) 10.469 5.811 ( -1.254 0.000 -6.425) 6.546 5.856 ( 0.928 -0.000 -0.985) 1.353 6.237 ( -2.357 0.000 1.392) 2.737 6.403 ( 6.512 -0.000 0.208) 6.516 6.446 ( -6.539 0.000 -2.060) 6.856 6.591 ( 3.165 -0.000 1.795) 3.639 7.867 ( -3.850 0.000 2.280) 4.474 7.974 ( 1.997 -0.000 0.636) 2.096 8.475 ( -4.445 0.000 -4.993) 6.685 8.498 ( 3.859 -0.000 5.553) 6.762 8.912 ( -0.246 0.000 -0.035) 0.249 9.028 ( -0.871 0.000 -5.905) 5.969 9.238 ( 6.220 -0.000 6.722) 9.159 9.338 ( -0.067 0.000 -2.563) 2.564 9.345 ( 5.158 -0.000 -4.112) 6.597 9.391 ( 2.418 -0.000 -0.046) 2.418 9.800 ( -0.253 0.000 7.386) 7.390 9.991 ( 0.578 -0.000 -4.872) 4.906 10.329 ( 1.250 -0.000 2.813) 3.078 10.416 ( 3.758 -0.000 5.283) 6.483 10.610 ( -7.342 0.000 -6.264) 9.651 10.868 ( 9.097 -0.000 -2.209) 9.361 11.016 ( -2.182 0.000 9.780) 10.021 11.201 ( -2.485 0.000 -6.753) 7.196 11.318 ( 1.465 -0.000 3.044) 3.378 11.503 ( 6.120 -0.000 -2.996) 6.814 11.809 ( 0.699 -0.000 0.801) 1.064 11.939 ( 13.161 -0.000 3.821) 13.705 12.305 ( -7.508 0.000 1.251) 7.612 12.411 ( -7.603 0.000 -7.418) 10.622 12.535 ( -7.779 0.000 -1.962) 8.023 12.706 ( 2.026 -0.000 1.392) 2.458 12.876 ( 0.472 -0.000 -2.327) 2.375 12.931 ( 4.220 -0.000 -0.237) 4.227 13.360 ( -2.747 0.000 -1.170) 2.986 13.416 ( 4.961 -0.000 3.725) 6.204 13.501 ( -3.210 0.000 -1.169) 3.417 13.581 ( 3.489 -0.000 0.391) 3.511 14.519 ( -1.790 0.000 -1.887) 2.601 14.525 ( -0.182 0.000 -0.675) 0.699 14.809 ( -18.064 0.000 -5.599) 18.911 14.887 ( -5.047 0.000 -2.818) 5.781 14.976 ( 2.501 -0.000 -0.426) 2.538 15.187 ( 6.174 -0.000 -0.771) 6.222 16.004 ( -5.904 0.000 -1.698) 6.143 16.269 ( 14.187 -0.000 3.759) 14.677 16.574 ( -1.604 0.000 -2.072) 2.620 16.612 ( 1.008 -0.000 -0.467) 1.111 16.952 ( -1.809 0.000 -0.451) 1.864 16.999 ( 0.698 -0.000 -0.762) 1.034 17.274 ( -4.560 0.000 -0.765) 4.623 17.436 ( 7.334 -0.000 3.595) 8.167 20.036 ( -4.768 0.000 -4.292) 6.415 20.103 ( 4.470 -0.000 5.999) 7.481 20.971 ( -0.623 0.000 2.608) 2.681 21.027 ( -0.869 0.000 -1.272) 1.541 21.984 ( -4.754 0.000 4.896) 6.825 22.271 ( 5.450 -0.000 -3.320) 6.382 23.275 ( -1.377 0.000 3.915) 4.150 23.435 ( 2.845 -0.000 -3.399) 4.433 26.972 ( -0.164 0.000 0.125) 0.206 26.976 ( -0.039 0.000 -0.025) 0.046 29.431 ( 0.039 -0.000 -0.053) 0.066 29.496 ( 5.090 -0.000 1.163) 5.221 30.728 ( -25.913 0.000 -2.931) 26.079 30.776 ( -3.530 0.000 2.087) 4.100 30.792 ( -2.815 0.000 -2.266) 3.613 31.424 ( -3.896 0.000 -5.591) 6.814 31.469 ( -1.078 0.000 1.731) 2.039 31.881 ( 19.105 -0.000 -1.426) 19.158 32.145 ( 3.144 -0.000 2.991) 4.339 32.243 ( 8.732 -0.000 -2.787) 9.166 32.686 ( 0.381 -0.000 -0.690) 0.788 33.155 ( 37.503 -0.000 -19.274) 42.166 33.609 ( -3.954 0.000 4.038) 5.652 33.831 ( 3.075 -0.000 -8.124) 8.687 35.371 ( -2.381 0.000 2.251) 3.277 35.494 ( 1.763 -0.000 -1.811) 2.527 35.684 ( -1.548 0.000 5.213) 5.438 35.884 ( 2.229 -0.000 -6.352) 6.731 36.455 ( -0.905 0.000 6.795) 6.855 36.463 ( -5.760 0.000 -2.889) 6.444 37.536 ( -43.173 0.000 14.693) 45.605 38.617 ( 20.760 -0.000 1.245) 20.797 ======================= Grid point 143 (67/114) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 3.067 -8.408 -5.181) 10.341 1.844 ( 9.599 -16.061 6.883) 19.937 2.027 ( 11.264 -6.821 18.758) 22.919 2.268 ( 16.838 -13.346 -16.553) 27.123 2.579 ( 5.681 1.999 -0.129) 6.024 2.746 ( 3.866 5.619 -8.837) 11.163 2.902 ( 0.471 4.768 1.042) 4.903 3.031 ( 0.927 4.426 -2.170) 5.016 3.372 ( -10.490 0.603 -2.714) 10.852 3.435 ( -4.919 -2.135 -9.616) 11.010 3.524 ( 0.358 1.493 -1.021) 1.844 3.669 ( -2.920 -3.539 -0.570) 4.623 3.726 ( -1.887 4.802 2.316) 5.655 3.871 ( -2.184 -4.989 1.650) 5.690 4.181 ( 2.104 -0.013 -1.716) 2.715 4.277 ( -0.903 -0.173 6.837) 6.898 4.701 ( -21.913 -1.269 3.119) 22.170 4.830 ( -1.551 2.985 -0.452) 3.394 4.961 ( 0.068 -1.709 0.248) 1.728 5.030 ( -5.799 1.083 -0.682) 5.939 5.106 ( -3.311 -2.846 -1.662) 4.671 5.376 ( 8.083 -1.490 2.165) 8.500 5.481 ( 14.883 0.830 5.226) 15.796 5.614 ( 9.015 -9.691 5.330) 14.269 5.756 ( 2.027 2.308 -5.041) 5.903 5.835 ( -1.129 -0.914 -0.624) 1.582 6.212 ( -2.914 1.203 0.741) 3.238 6.307 ( -6.788 5.183 -5.735) 10.288 6.470 ( 7.157 2.070 3.477) 8.222 6.573 ( 1.355 4.698 1.683) 5.171 7.873 ( -0.649 -0.240 3.323) 3.395 7.980 ( 3.941 3.643 2.043) 5.742 8.347 ( -5.752 5.691 -5.593) 9.836 8.535 ( 0.494 -0.863 1.945) 2.184 8.883 ( -3.414 0.438 0.744) 3.522 9.047 ( -4.182 -4.968 -2.327) 6.899 9.229 ( -2.230 3.613 -0.056) 4.247 9.344 ( 9.427 -1.541 -4.499) 10.559 9.431 ( 4.338 -0.342 3.144) 5.368 9.446 ( 7.629 -3.375 0.314) 8.348 9.829 ( -2.470 -0.452 2.795) 3.757 9.986 ( 2.245 -0.662 -3.760) 4.429 10.301 ( 1.008 5.008 1.901) 5.451 10.430 ( 5.443 8.831 0.117) 10.375 10.516 ( -4.402 -1.222 3.049) 5.493 10.872 ( 7.368 4.873 -2.347) 9.140 11.078 ( -1.927 -0.927 8.671) 8.931 11.224 ( -1.921 -5.501 -2.955) 6.533 11.364 ( 3.500 -2.580 1.550) 4.616 11.528 ( 6.305 0.415 -1.128) 6.418 11.797 ( 4.328 3.220 1.420) 5.578 11.961 ( 12.658 11.809 -5.263) 18.094 12.188 ( -9.868 1.097 4.198) 10.779 12.308 ( -6.968 0.717 -6.575) 9.608 12.447 ( -5.570 1.117 -1.462) 5.866 12.668 ( -2.636 3.750 0.086) 4.585 12.821 ( -0.355 8.120 -1.237) 8.222 12.883 ( 0.256 2.151 -1.785) 2.807 13.364 ( -3.189 -2.171 -1.679) 4.207 13.426 ( -1.868 0.541 4.247) 4.671 13.592 ( 2.775 -0.125 0.647) 2.852 13.637 ( 9.756 -6.374 3.273) 12.105 14.433 ( -10.291 1.577 -8.661) 13.543 14.552 ( 0.277 -4.698 -0.394) 4.722 14.805 ( -11.251 -14.584 -2.583) 18.600 14.983 ( -1.619 -10.795 3.708) 11.529 15.043 ( 0.625 -6.060 -2.191) 6.474 15.272 ( 0.450 -6.874 -1.558) 7.062 16.020 ( -1.065 -6.178 -4.367) 7.640 16.305 ( 8.358 6.799 3.405) 11.299 16.504 ( -1.659 4.400 0.304) 4.712 16.597 ( 0.624 3.063 0.271) 3.137 16.966 ( -2.890 -3.710 -2.693) 5.419 17.055 ( 0.261 -5.150 0.292) 5.165 17.304 ( -1.528 -5.944 -0.693) 6.176 17.514 ( 5.083 -0.733 2.570) 5.743 20.005 ( -3.126 -3.362 -5.169) 6.914 20.139 ( 1.551 1.774 3.183) 3.960 20.890 ( -1.794 8.317 2.460) 8.856 20.970 ( 0.618 5.474 -2.065) 5.883 22.054 ( -3.124 -7.797 5.432) 10.003 22.360 ( 5.168 -6.789 -3.211) 9.117 23.220 ( -1.778 6.850 5.003) 8.667 23.407 ( 3.534 3.884 -3.172) 6.135 27.107 ( -0.465 -14.399 2.326) 14.594 27.112 ( -1.077 -14.348 -2.293) 14.570 29.280 ( -2.043 15.234 -0.962) 15.400 29.466 ( 6.996 8.559 0.362) 11.060 30.625 ( -17.165 -10.467 -5.453) 20.831 30.777 ( -2.786 -2.323 1.519) 3.932 30.803 ( -4.940 -4.372 0.314) 6.605 31.390 ( -4.088 -2.693 -4.923) 6.943 31.508 ( -1.241 -3.685 3.369) 5.145 31.884 ( 5.930 8.391 0.243) 10.278 32.044 ( 2.465 12.046 -1.366) 12.371 32.368 ( 14.462 -5.495 -3.987) 15.976 32.815 ( 1.705 -11.530 -1.499) 11.751 33.293 ( 29.618 1.824 -21.920) 36.893 33.579 ( -4.561 2.576 5.121) 7.326 33.789 ( 4.212 2.989 -6.544) 8.337 35.387 ( -2.255 -2.302 1.791) 3.687 35.493 ( 1.005 0.086 -1.340) 1.677 35.720 ( -2.161 -1.900 6.185) 6.821 35.916 ( 3.353 -4.349 -5.954) 8.099 36.397 ( -6.102 0.589 -1.226) 6.252 36.482 ( -3.239 -1.339 3.465) 4.928 37.292 ( -32.198 3.704 19.411) 37.779 38.672 ( 16.943 11.097 0.747) 20.267 ======================= Grid point 144 (68/114) ======================= q-point: ( 0.38 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 2.575 -7.547 -6.998) 10.609 2.092 ( -10.689 -7.697 -0.579) 13.185 2.309 ( 2.490 -9.013 13.705) 16.591 2.463 ( 3.316 7.716 -9.919) 12.997 2.626 ( 10.980 -13.462 -5.292) 18.160 2.781 ( 7.155 -6.333 -4.049) 10.378 2.798 ( -0.468 6.557 -6.958) 9.572 3.068 ( 9.281 -9.571 -3.185) 13.707 3.275 ( -7.084 -0.344 -3.992) 8.139 3.414 ( 5.920 -2.581 -5.660) 8.587 3.562 ( 6.704 -2.306 0.473) 7.105 3.640 ( -3.033 2.163 2.988) 4.775 3.729 ( 2.673 -0.997 1.318) 3.142 3.890 ( -5.933 0.921 1.224) 6.127 4.215 ( 3.564 -1.500 0.636) 3.919 4.300 ( -3.666 0.126 6.252) 7.249 4.581 ( -15.583 -0.145 4.558) 16.237 4.756 ( 1.276 3.027 -2.938) 4.408 4.949 ( -4.500 1.619 -2.739) 5.511 5.051 ( 1.062 -3.251 5.528) 6.500 5.095 ( -2.776 0.043 -0.744) 2.875 5.420 ( -3.196 1.596 -0.907) 3.686 5.582 ( 10.090 2.496 3.951) 11.120 5.697 ( 2.693 3.657 -0.041) 4.542 5.769 ( -0.248 -6.769 -3.233) 7.506 5.968 ( 7.399 -0.442 6.002) 9.538 6.090 ( -7.805 5.036 -3.235) 9.836 6.227 ( 1.700 -4.872 -1.767) 5.455 6.434 ( -0.717 6.751 4.407) 8.094 6.544 ( 5.718 1.209 0.418) 5.859 7.852 ( -3.771 2.089 -2.035) 4.767 7.904 ( 1.960 6.843 1.349) 7.245 8.187 ( -5.259 4.792 -2.593) 7.572 8.583 ( 1.281 -2.875 -1.509) 3.491 8.876 ( -0.393 -1.916 2.523) 3.192 9.069 ( -4.955 1.002 -1.262) 5.211 9.195 ( 0.548 -4.053 4.016) 5.731 9.423 ( 2.227 -2.828 -2.233) 4.236 9.487 ( 5.467 0.860 4.360) 7.045 9.543 ( 3.844 -1.896 -3.101) 5.290 9.789 ( -3.285 2.404 -1.637) 4.387 9.984 ( 5.153 2.683 -3.298) 6.681 10.221 ( 0.932 4.382 3.076) 5.434 10.266 ( -0.230 8.208 -3.110) 8.780 10.555 ( 1.143 1.479 6.148) 6.426 10.794 ( 6.334 7.575 -3.611) 10.514 11.080 ( -2.406 2.561 5.256) 6.323 11.305 ( -2.379 -5.730 1.141) 6.308 11.442 ( 1.984 -2.593 -2.767) 4.279 11.600 ( 6.527 -1.077 0.328) 6.623 11.729 ( 3.610 11.557 -7.689) 14.342 11.795 ( 8.343 3.548 3.201) 9.614 12.143 ( -4.341 3.103 -1.035) 5.436 12.259 ( -4.201 -6.707 -0.493) 7.929 12.469 ( 0.004 -3.102 4.341) 5.336 12.541 ( -2.372 6.259 -1.821) 6.937 12.625 ( -3.818 8.254 -2.003) 9.312 12.877 ( -0.619 -0.878 -0.198) 1.093 13.366 ( -5.016 -3.073 -1.237) 6.011 13.437 ( 0.089 1.604 3.881) 4.200 13.546 ( -0.737 2.018 -1.864) 2.844 13.892 ( 14.044 -4.175 6.673) 16.100 14.285 ( -12.338 -2.756 -11.516) 17.101 14.639 ( 0.877 -1.989 -1.515) 2.650 14.938 ( -1.437 -6.333 3.143) 7.214 15.160 ( -2.268 -9.358 3.767) 10.339 15.275 ( -0.545 -13.879 3.054) 14.221 15.408 ( -1.802 -9.740 -1.448) 10.011 16.089 ( -0.386 -4.404 -8.142) 9.265 16.267 ( 5.890 4.730 3.978) 8.538 16.468 ( -2.123 0.337 -2.030) 2.956 16.505 ( -1.042 3.101 4.467) 5.536 17.010 ( -1.984 -4.679 -2.462) 5.647 17.154 ( -0.047 -4.931 1.032) 5.038 17.401 ( -0.484 -5.069 -1.374) 5.274 17.557 ( 2.030 0.259 1.670) 2.641 20.053 ( -1.067 -7.044 -5.746) 9.153 20.110 ( -1.628 1.313 -0.775) 2.231 20.712 ( -2.014 10.993 2.773) 11.514 20.834 ( 2.244 8.596 -2.558) 9.245 22.254 ( -1.913 -12.569 5.445) 13.831 22.531 ( 4.376 -9.715 -3.537) 11.227 23.086 ( -2.859 9.066 5.940) 11.209 23.319 ( 3.517 7.101 -2.917) 8.444 27.392 ( -1.638 -19.395 -3.653) 19.804 27.468 ( -2.079 -22.876 6.032) 23.749 28.910 ( -3.064 21.558 -1.371) 21.818 29.316 ( 8.354 13.974 -2.152) 16.422 30.732 ( -5.688 -12.264 -3.504) 13.966 30.841 ( -3.123 -6.460 1.200) 7.275 30.877 ( -4.574 -7.867 2.157) 9.352 31.390 ( -3.273 -2.929 -3.737) 5.767 31.602 ( -3.680 -5.439 4.729) 8.093 31.743 ( 2.652 9.975 0.182) 10.323 31.820 ( 3.256 13.234 -2.705) 13.895 32.546 ( 15.638 -3.764 -7.862) 17.903 33.030 ( 2.375 -11.083 -4.251) 12.106 33.309 ( 13.331 2.005 -14.500) 19.798 33.505 ( -4.979 4.765 4.966) 8.494 33.724 ( 5.338 5.076 -3.930) 8.348 35.424 ( -1.985 -2.385 1.068) 3.282 35.503 ( 0.433 -1.237 -0.509) 1.406 35.782 ( -3.596 -3.062 7.483) 8.848 35.986 ( 2.781 -2.919 -3.802) 5.542 36.337 ( -6.433 0.416 1.328) 6.582 36.507 ( -3.019 -3.614 -0.759) 4.769 37.163 ( -18.381 0.384 18.236) 25.896 38.506 ( 12.486 18.249 -3.537) 22.393 ======================= Grid point 145 (69/114) ======================= q-point: ( 0.50 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 3.509 3.588 -4.697) 6.874 2.113 ( -11.024 -11.310 -5.053) 16.583 2.298 ( 1.431 5.366 -4.342) 7.049 2.535 ( -3.857 -3.660 3.237) 6.225 2.612 ( -3.303 2.179 2.734) 4.810 2.751 ( 1.982 -3.381 -6.273) 7.397 2.998 ( 6.715 -8.263 -1.325) 10.730 3.141 ( 5.627 2.819 -7.290) 9.631 3.346 ( 6.853 -3.559 -2.012) 7.980 3.556 ( 3.760 -0.284 -3.809) 5.359 3.604 ( 6.551 -3.586 -0.892) 7.521 3.693 ( -4.517 2.344 1.559) 5.322 3.764 ( 1.861 -9.888 0.960) 10.108 3.882 ( 6.403 0.186 5.816) 8.652 4.209 ( -7.051 1.731 -2.573) 7.702 4.322 ( 0.648 -1.331 6.985) 7.140 4.540 ( -4.491 -0.763 4.621) 6.489 4.714 ( 1.451 1.661 -5.556) 5.978 4.846 ( -2.008 3.411 -2.374) 4.615 5.075 ( 1.263 0.654 -1.388) 1.987 5.149 ( 0.135 -3.357 5.508) 6.452 5.293 ( -9.301 3.793 -1.530) 10.160 5.563 ( -2.159 2.941 -2.006) 4.163 5.663 ( 2.831 3.708 1.675) 4.957 5.843 ( 0.169 3.453 -1.563) 3.794 5.891 ( -1.085 -2.526 2.055) 3.433 6.072 ( -0.560 0.280 2.573) 2.648 6.342 ( 0.333 0.425 6.517) 6.539 6.413 ( 3.438 -4.904 -2.740) 6.586 6.573 ( 4.562 -0.243 -1.232) 4.732 7.760 ( 0.092 3.155 0.411) 3.183 7.854 ( 0.676 1.426 0.807) 1.772 8.052 ( -5.685 3.064 -1.713) 6.681 8.577 ( -1.402 0.543 -7.737) 7.882 9.002 ( 3.821 -5.666 5.792) 8.958 9.008 ( -3.987 -0.336 0.314) 4.013 9.324 ( 3.257 -2.831 3.378) 5.480 9.441 ( -2.186 0.829 1.998) 3.075 9.489 ( -3.222 5.196 -2.584) 6.637 9.511 ( 2.701 2.130 0.161) 3.444 9.758 ( -0.698 -5.312 -3.406) 6.349 9.945 ( 5.867 4.161 0.500) 7.210 10.100 ( -0.224 8.025 -3.186) 8.637 10.253 ( 3.532 -2.526 5.485) 6.996 10.504 ( -3.112 5.419 0.463) 6.266 10.669 ( 3.940 7.707 -6.215) 10.656 11.042 ( -3.604 1.783 4.954) 6.380 11.376 ( -3.271 -2.768 0.516) 4.316 11.462 ( 0.029 0.587 -2.377) 2.448 11.494 ( 4.182 5.253 -6.819) 9.570 11.676 ( 4.386 4.074 3.009) 6.700 11.871 ( 7.157 -1.624 2.488) 7.750 12.080 ( -2.559 -2.212 -1.466) 3.687 12.349 ( -4.248 6.452 -0.994) 7.789 12.429 ( -3.105 -10.382 -0.935) 10.877 12.466 ( -1.466 2.080 -1.212) 2.819 12.615 ( 3.894 -2.514 5.453) 7.157 12.863 ( 0.768 3.756 -0.376) 3.852 13.354 ( -4.560 2.081 0.046) 5.012 13.420 ( 1.542 -2.209 1.323) 3.001 13.569 ( -1.502 -5.054 0.657) 5.313 13.937 ( 2.740 8.180 0.397) 8.636 14.289 ( 2.029 -4.733 -5.014) 7.188 14.616 ( -3.450 -0.140 -0.185) 3.457 15.085 ( 2.154 -7.398 2.544) 8.115 15.296 ( -3.363 -3.127 4.089) 6.149 15.412 ( 0.167 -2.696 -0.194) 2.708 15.576 ( 0.879 -8.428 2.361) 8.797 16.086 ( -4.156 -1.820 -7.430) 8.706 16.254 ( 4.497 6.348 5.879) 9.750 16.360 ( -1.937 1.274 -0.806) 2.455 16.638 ( 1.282 -9.559 -0.044) 9.644 17.060 ( -0.104 -2.799 -1.290) 3.084 17.241 ( -0.399 -4.455 1.314) 4.662 17.428 ( -1.217 0.568 -1.994) 2.404 17.573 ( 0.549 -0.223 1.730) 1.829 20.086 ( -2.109 -2.519 -2.665) 4.230 20.166 ( 0.807 -7.781 -5.281) 9.439 20.521 ( -1.808 9.589 2.917) 10.185 20.691 ( 2.971 7.946 -2.033) 8.724 22.505 ( -1.274 -12.959 4.597) 13.809 22.710 ( 2.584 -8.277 -3.644) 9.405 22.937 ( -3.067 7.381 5.386) 9.638 23.177 ( 2.529 9.425 -2.702) 10.126 27.727 ( -0.255 -20.862 -2.582) 21.023 27.907 ( -4.114 -23.771 6.837) 25.075 28.487 ( -1.811 22.639 -0.092) 22.711 29.084 ( 7.665 15.867 -6.802) 18.889 30.880 ( -1.985 -7.773 2.142) 8.303 30.953 ( -2.865 -7.441 1.183) 8.060 31.052 ( 1.015 -10.939 0.898) 11.023 31.394 ( -1.675 -1.664 -3.150) 3.937 31.549 ( 0.837 10.155 -0.579) 10.206 31.597 ( 1.305 9.381 -2.038) 9.688 31.733 ( -3.251 -3.328 6.801) 8.240 32.605 ( 14.522 4.379 -14.735) 21.147 33.152 ( 1.150 -4.597 -6.616) 8.138 33.338 ( 2.333 -2.151 -0.122) 3.176 33.409 ( -4.242 1.455 0.897) 4.573 33.646 ( 4.284 6.203 -0.934) 7.597 35.450 ( -1.438 -1.384 1.116) 2.287 35.528 ( 0.111 -1.225 -0.164) 1.241 35.841 ( -5.261 -1.887 7.652) 9.476 36.008 ( 0.187 -0.103 -0.701) 0.733 36.319 ( -3.875 -1.802 3.547) 5.554 36.547 ( -2.066 -2.844 -0.684) 3.581 37.201 ( -7.445 -6.723 10.365) 14.424 38.222 ( 8.435 17.967 -7.157) 21.099 ======================= Grid point 146 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 4.526 9.184 6.119) 11.927 2.143 ( -3.408 11.552 4.350) 12.806 2.213 ( 6.749 -2.945 -0.864) 7.414 2.578 ( -2.636 -5.854 0.213) 6.424 2.679 ( -3.760 -8.337 1.968) 9.355 2.785 ( -0.316 -2.604 -7.801) 8.230 3.052 ( 3.689 4.961 1.796) 6.437 3.183 ( 9.602 -0.870 -7.736) 12.362 3.329 ( 2.439 8.269 2.853) 9.081 3.500 ( 6.882 7.728 -1.265) 10.426 3.587 ( -5.784 -2.371 -0.988) 6.329 3.698 ( -3.139 4.057 -3.011) 5.948 3.887 ( -1.415 3.008 0.329) 3.341 3.908 ( 2.675 -2.308 -0.303) 3.546 4.085 ( -9.681 1.152 -2.890) 10.168 4.421 ( 5.125 -1.227 7.285) 8.991 4.538 ( -2.404 -1.194 2.506) 3.672 4.712 ( 2.958 -5.117 -3.475) 6.856 4.833 ( 2.373 -1.991 -2.908) 4.249 5.050 ( -5.531 -0.292 -3.787) 6.709 5.137 ( -5.514 -1.345 -2.491) 6.198 5.333 ( 8.342 -4.511 6.419) 11.452 5.480 ( -6.645 -0.782 -5.896) 8.918 5.620 ( -1.593 1.425 2.522) 3.306 5.810 ( 0.546 0.995 0.776) 1.375 5.960 ( 2.170 -1.217 4.977) 5.564 6.059 ( -1.606 1.826 2.748) 3.669 6.358 ( -1.408 1.071 4.759) 5.077 6.455 ( 2.117 0.046 -5.601) 5.988 6.602 ( 0.910 -1.079 -5.379) 5.561 7.756 ( 3.531 0.103 3.020) 4.647 7.857 ( 0.090 -0.476 -0.320) 0.581 8.032 ( 2.727 -1.933 3.914) 5.147 8.505 ( -1.780 0.616 -5.633) 5.940 9.003 ( -4.586 -0.220 0.194) 4.595 9.088 ( -1.451 -0.128 0.020) 1.457 9.321 ( -6.557 1.257 1.198) 6.783 9.347 ( 0.181 1.767 -3.319) 3.765 9.450 ( 2.169 2.208 5.211) 6.061 9.540 ( 1.905 -3.401 -1.105) 4.052 9.854 ( -0.701 4.519 -2.406) 5.167 9.905 ( 6.614 -2.027 1.194) 7.020 10.036 ( 1.829 -2.195 -0.382) 2.883 10.352 ( -3.533 5.338 0.846) 6.457 10.371 ( 0.502 -1.541 2.990) 3.401 10.546 ( 2.690 2.464 -4.537) 5.822 11.024 ( -4.736 -0.349 5.637) 7.371 11.330 ( 0.534 1.945 -4.890) 5.289 11.433 ( -2.659 1.719 1.178) 3.378 11.472 ( -2.739 -1.598 -0.173) 3.176 11.635 ( 5.187 5.443 0.700) 7.552 11.888 ( 0.220 3.159 -0.693) 3.241 12.181 ( 1.243 -3.335 -0.443) 3.587 12.228 ( 1.550 -0.628 1.658) 2.356 12.437 ( -1.195 -3.152 -1.557) 3.713 12.621 ( -0.511 -6.620 -1.204) 6.748 12.686 ( -1.319 -3.800 -0.893) 4.121 12.731 ( -0.474 8.555 -0.970) 8.623 13.301 ( -3.833 0.308 1.966) 4.319 13.501 ( 3.507 -2.643 -1.173) 4.545 13.684 ( 2.733 -2.490 3.782) 5.289 13.791 ( -0.527 4.236 -0.359) 4.284 14.271 ( 1.113 5.394 0.413) 5.523 14.652 ( 0.506 -3.271 0.358) 3.329 15.226 ( -1.115 7.500 1.599) 7.749 15.260 ( 3.116 -8.525 0.862) 9.118 15.459 ( -3.349 -3.344 -2.393) 5.303 15.673 ( -2.517 0.239 -0.552) 2.588 16.037 ( 0.464 -0.105 0.521) 0.706 16.232 ( 3.068 0.672 1.865) 3.652 16.322 ( -2.468 5.088 4.309) 7.110 16.798 ( 1.345 -8.792 -8.729) 12.462 17.099 ( 2.607 -1.116 -0.435) 2.869 17.316 ( -0.016 -2.124 1.118) 2.400 17.366 ( -1.781 2.645 0.056) 3.190 17.580 ( -0.387 0.834 1.198) 1.510 20.132 ( 0.709 -4.084 -2.541) 4.862 20.201 ( 0.935 5.058 0.178) 5.147 20.464 ( -0.021 -5.463 -1.286) 5.613 20.586 ( 1.454 4.095 -0.879) 4.433 22.659 ( -3.116 5.972 3.755) 7.712 22.744 ( -1.859 -5.382 1.524) 5.895 22.945 ( 2.193 -1.748 -3.113) 4.190 23.031 ( 0.865 1.436 -1.062) 1.984 28.062 ( 1.436 21.949 2.301) 22.115 28.098 ( 2.139 -19.913 -0.626) 20.038 28.327 ( -6.775 -20.981 3.672) 22.352 28.799 ( 4.437 14.438 -12.179) 19.403 30.988 ( 0.960 -0.708 4.723) 4.872 31.063 ( -1.824 -6.041 1.592) 6.508 31.193 ( 2.818 -0.273 -1.843) 3.378 31.362 ( 0.821 4.559 -1.518) 4.875 31.430 ( 2.206 0.558 0.631) 2.362 31.510 ( 4.515 -0.078 -0.389) 4.533 31.784 ( -8.788 -2.094 8.421) 12.350 32.454 ( 8.480 10.842 -17.586) 22.332 33.150 ( -1.339 3.564 0.547) 3.846 33.328 ( 0.031 1.788 4.940) 5.254 33.455 ( -0.936 -3.766 -5.292) 6.562 33.593 ( 2.487 -0.208 -0.565) 2.559 35.464 ( -0.810 -0.208 1.798) 1.983 35.537 ( 0.067 0.339 -0.002) 0.346 35.836 ( -6.319 1.583 6.439) 9.160 36.015 ( 0.430 -0.846 0.470) 1.059 36.372 ( -2.321 -3.337 5.297) 6.677 36.557 ( -2.174 -0.096 1.392) 2.583 37.386 ( -0.586 -12.562 2.531) 12.827 37.958 ( 3.916 11.208 -7.530) 14.059 ======================= Grid point 147 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 11.366 14.054 12.794) 22.145 1.969 ( -1.710 9.261 18.762) 20.992 2.332 ( 3.721 -1.856 4.279) 5.967 2.579 ( -12.584 2.798 -6.294) 14.346 2.693 ( 8.827 5.640 0.075) 10.475 2.825 ( 6.656 5.562 1.127) 8.747 2.928 ( -2.031 12.461 7.262) 14.565 3.101 ( 7.428 15.608 -4.270) 17.805 3.194 ( 6.877 2.297 -3.480) 8.042 3.441 ( -4.035 -2.638 -8.416) 9.699 3.495 ( -5.356 -0.842 1.428) 5.607 3.628 ( -3.036 2.581 -4.557) 6.054 3.752 ( -4.205 -0.304 -3.324) 5.368 4.001 ( 6.418 -1.478 -0.272) 6.592 4.069 ( -5.610 -5.452 0.863) 7.871 4.474 ( -1.282 -0.511 -0.577) 1.496 4.625 ( 2.654 -6.166 1.636) 6.910 4.826 ( -1.993 -7.726 -2.960) 8.510 4.884 ( 2.370 -1.718 0.112) 2.930 5.011 ( -10.138 -4.089 -2.427) 11.198 5.176 ( 7.557 -2.744 -1.436) 8.167 5.402 ( -4.485 0.302 -4.464) 6.335 5.482 ( 4.750 -0.682 3.393) 5.877 5.668 ( -0.774 -5.934 1.389) 6.143 5.770 ( 1.940 5.005 -0.506) 5.391 5.946 ( -9.110 4.747 2.702) 10.622 6.074 ( 5.440 -0.054 8.510) 10.100 6.343 ( 1.200 0.397 -1.412) 1.895 6.418 ( -1.821 0.317 -4.565) 4.925 6.547 ( -2.882 1.085 -7.873) 8.453 7.836 ( 0.177 -3.487 -2.107) 4.078 7.875 ( 7.006 0.495 7.241) 10.087 8.137 ( 2.478 -3.295 2.396) 4.768 8.487 ( -1.575 -1.648 -0.341) 2.305 8.917 ( -1.806 2.780 0.036) 3.315 9.098 ( 1.512 -0.116 2.362) 2.807 9.277 ( -7.305 -0.661 -2.143) 7.641 9.312 ( -2.007 0.371 -1.003) 2.274 9.468 ( -0.528 -0.282 1.623) 1.730 9.534 ( -0.781 4.619 -3.670) 5.951 9.792 ( 3.617 0.106 4.050) 5.431 9.957 ( 2.504 2.443 -3.913) 5.249 10.106 ( 0.404 -6.328 -2.235) 6.724 10.237 ( -3.962 2.110 0.183) 4.492 10.444 ( 1.564 -3.540 6.634) 7.680 10.597 ( 1.122 -4.892 -2.273) 5.510 11.065 ( -4.016 -4.312 6.655) 8.889 11.303 ( 1.691 0.138 -3.319) 3.728 11.370 ( -1.870 2.321 1.401) 3.294 11.489 ( -3.274 -1.672 2.890) 4.676 11.582 ( 3.456 3.641 -1.036) 5.125 11.781 ( -3.132 5.501 -2.764) 6.907 12.190 ( 3.824 -0.949 -1.279) 4.142 12.366 ( 1.657 -3.876 4.742) 6.345 12.484 ( -1.076 3.962 -3.649) 5.493 12.547 ( 2.617 -1.370 0.745) 3.046 12.661 ( -0.458 -1.449 -3.951) 4.233 12.797 ( -5.015 -8.119 -3.796) 10.270 13.315 ( -2.525 -2.925 3.982) 5.549 13.533 ( 1.540 0.008 -2.006) 2.529 13.600 ( 2.960 8.036 0.434) 8.575 13.841 ( -2.226 -0.573 -2.183) 3.170 14.244 ( 6.468 0.621 9.020) 11.117 14.680 ( 1.941 2.168 1.229) 3.159 15.089 ( 1.081 8.012 1.969) 8.321 15.361 ( -5.910 2.229 -5.376) 8.295 15.456 ( 0.746 -3.292 -2.308) 4.089 15.603 ( -1.767 -0.357 -3.875) 4.274 16.034 ( 1.548 7.621 6.255) 9.980 16.208 ( 0.002 6.601 4.562) 8.024 16.323 ( 0.390 -8.571 -0.683) 8.607 16.833 ( -0.029 -1.308 -13.556) 13.619 17.120 ( 2.962 1.625 -0.911) 3.500 17.261 ( -1.071 3.694 -1.593) 4.163 17.387 ( 0.877 -0.191 3.930) 4.031 17.546 ( -0.812 2.885 0.514) 3.041 20.083 ( 1.271 7.752 3.720) 8.691 20.181 ( 4.153 0.473 -2.740) 4.998 20.560 ( -1.688 -4.995 1.251) 5.419 20.645 ( 1.458 -10.500 -2.708) 10.941 22.466 ( -5.477 11.486 4.782) 13.594 22.693 ( 3.444 10.917 -4.490) 12.297 22.980 ( -4.679 -7.572 2.570) 9.265 23.160 ( 2.213 -9.295 -4.160) 10.421 27.690 ( 1.328 21.768 3.546) 22.095 28.221 ( -1.806 13.789 -15.086) 20.518 28.615 ( 4.682 -17.766 0.130) 18.373 28.761 ( -4.491 -17.874 0.211) 18.431 30.932 ( 1.637 7.640 1.672) 7.990 31.099 ( 0.677 6.442 -2.688) 7.013 31.183 ( 6.734 -1.652 4.496) 8.264 31.316 ( 3.331 4.647 5.668) 8.051 31.517 ( -0.265 -8.073 -1.867) 8.290 31.617 ( 6.308 -4.141 -0.278) 7.551 31.769 ( -10.844 -0.965 7.550) 13.248 32.205 ( 5.775 11.501 -14.840) 19.643 33.052 ( 1.577 7.927 4.359) 9.183 33.259 ( -0.351 8.459 1.306) 8.566 33.488 ( -1.278 -3.778 0.956) 4.101 33.675 ( 1.668 -7.094 -6.265) 9.610 35.462 ( -0.664 1.215 2.308) 2.691 35.520 ( 0.414 1.609 -0.036) 1.661 35.782 ( -5.182 3.073 6.093) 8.569 36.036 ( 1.126 -0.473 -0.800) 1.460 36.431 ( -2.831 -1.669 3.573) 4.855 36.545 ( -0.456 0.883 2.241) 2.452 37.623 ( -6.863 -12.780 3.357) 14.890 37.849 ( 5.341 -2.239 -7.647) 9.593 ======================= Grid point 148 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 11.896 16.619 17.750) 27.070 1.987 ( 3.459 15.025 22.801) 27.524 2.142 ( -6.934 20.971 11.883) 25.081 2.234 ( -9.533 9.804 -7.779) 15.732 2.627 ( 12.722 23.041 -6.833) 27.192 2.780 ( 3.369 -1.495 -8.196) 8.986 2.812 ( 6.968 -3.540 8.257) 11.370 2.889 ( -0.054 3.416 2.241) 4.086 3.331 ( 5.103 -7.659 -1.374) 9.306 3.473 ( 2.394 -4.455 -5.319) 7.339 3.504 ( -7.612 -6.225 -5.613) 11.323 3.608 ( 3.279 -3.639 1.439) 5.105 3.782 ( -1.947 -3.486 -1.644) 4.318 4.012 ( 2.609 3.676 -2.981) 5.404 4.136 ( -0.695 -3.412 2.020) 4.026 4.409 ( -9.125 0.302 -6.695) 11.321 4.785 ( 1.071 -6.836 2.206) 7.263 4.898 ( -2.343 -1.030 1.010) 2.751 4.930 ( -3.844 -4.562 3.191) 6.765 5.012 ( 1.902 -1.415 0.389) 2.402 5.240 ( 4.686 2.019 -1.559) 5.335 5.326 ( -5.963 0.570 -4.664) 7.591 5.519 ( 6.301 4.831 0.720) 7.973 5.633 ( -3.649 11.513 -0.499) 12.087 5.744 ( -0.983 -2.393 -2.377) 3.513 5.797 ( -4.013 -0.658 -1.580) 4.363 6.179 ( 3.708 -0.662 10.152) 10.828 6.364 ( 5.179 1.700 -2.297) 5.915 6.396 ( -3.652 -5.746 -3.005) 7.442 6.482 ( -4.754 -2.511 -5.937) 8.009 7.848 ( -3.243 -2.195 -0.412) 3.937 7.979 ( 3.492 -1.024 0.362) 3.658 8.233 ( 4.515 -4.317 5.491) 8.317 8.502 ( -3.482 -2.182 -1.295) 4.309 8.937 ( 3.136 -0.572 5.099) 6.014 9.108 ( -1.615 2.004 3.287) 4.175 9.194 ( 1.260 3.606 -4.739) 6.087 9.268 ( -0.124 2.670 1.401) 3.018 9.413 ( -3.440 0.272 -6.340) 7.219 9.474 ( -0.481 1.176 -1.196) 1.745 9.799 ( 1.529 4.874 5.568) 7.556 9.995 ( 7.085 -3.917 -0.255) 8.100 10.183 ( -4.763 -1.313 0.744) 4.996 10.236 ( -3.939 -8.665 -3.068) 10.001 10.566 ( -1.634 -5.401 4.558) 7.253 10.670 ( 3.003 -4.079 -3.262) 6.025 11.134 ( -8.479 -2.218 4.349) 9.784 11.290 ( 3.384 1.910 1.823) 4.292 11.380 ( 4.826 -0.584 -0.842) 4.933 11.475 ( 1.473 4.375 -2.404) 5.205 11.594 ( -1.569 -3.866 3.534) 5.468 11.685 ( -1.079 -1.941 -1.537) 2.701 12.216 ( 1.074 1.175 2.672) 3.111 12.430 ( 2.276 -2.052 -3.381) 4.563 12.437 ( 1.169 -2.212 4.840) 5.448 12.594 ( -2.110 -3.783 -4.090) 5.957 12.759 ( 4.702 -6.006 -0.164) 7.629 12.837 ( -4.807 -3.828 -3.984) 7.323 13.384 ( -3.394 -2.537 4.747) 6.363 13.504 ( 3.226 3.386 1.447) 4.896 13.541 ( 2.017 0.282 -2.138) 2.953 13.707 ( -5.497 6.732 -7.010) 11.166 14.401 ( 9.909 -1.615 10.342) 14.414 14.627 ( 0.361 4.461 0.457) 4.499 14.983 ( 0.711 7.035 4.036) 8.141 15.193 ( -3.805 5.561 -5.016) 8.400 15.393 ( -3.222 7.405 -2.803) 8.548 15.554 ( 1.079 8.376 -10.060) 13.135 15.957 ( 3.566 1.728 7.274) 8.283 16.159 ( -1.402 1.736 1.879) 2.917 16.471 ( -1.363 -7.647 -1.280) 7.873 16.720 ( 0.004 4.413 -12.272) 13.041 17.068 ( 2.269 5.253 0.628) 5.756 17.174 ( -0.713 4.508 -2.846) 5.378 17.390 ( 1.976 3.093 3.212) 4.877 17.472 ( -1.295 4.659 0.069) 4.836 20.013 ( 2.858 4.286 5.117) 7.261 20.157 ( 1.538 2.367 -2.305) 3.645 20.702 ( -1.549 -9.988 3.063) 10.561 20.836 ( 1.492 -10.333 -2.631) 10.767 22.246 ( -6.122 10.781 5.114) 13.411 22.486 ( 4.194 11.526 -4.823) 13.180 23.090 ( -5.565 -7.208 3.497) 9.755 23.304 ( 2.407 -7.496 -5.029) 9.342 27.353 ( 0.849 18.957 3.506) 19.297 27.703 ( -4.223 26.332 -15.932) 31.065 29.017 ( 4.315 -18.954 2.719) 19.628 29.074 ( -2.583 -18.344 0.039) 18.525 30.836 ( 1.633 4.711 0.809) 5.051 30.964 ( -0.385 5.935 -4.012) 7.174 31.237 ( -11.457 4.499 6.746) 14.036 31.327 ( 22.771 3.355 7.472) 24.199 31.584 ( -0.939 0.257 -2.155) 2.364 31.670 ( -4.593 -1.417 -3.560) 5.982 31.839 ( -3.618 -10.269 2.888) 11.264 32.048 ( 16.380 5.782 -7.429) 18.892 32.954 ( 5.745 9.071 3.746) 11.372 33.085 ( 2.343 10.734 -0.138) 10.988 33.553 ( -2.422 -3.751 1.726) 4.787 33.770 ( 2.022 -6.108 -8.040) 10.297 35.436 ( -1.035 2.287 2.330) 3.425 35.495 ( 0.771 1.371 -0.173) 1.582 35.724 ( -3.611 3.147 5.883) 7.586 36.025 ( 1.976 1.870 -4.500) 5.259 36.423 ( -1.345 1.664 2.922) 3.622 36.546 ( -1.102 0.131 0.970) 1.474 37.726 ( -29.827 -13.212 8.643) 33.748 38.057 ( 17.922 -11.602 -7.249) 22.546 ======================= Grid point 151 (73/114) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 10.523 -0.000 -15.286) 18.558 1.889 ( 16.132 -0.000 13.368) 20.951 2.145 ( 7.008 -0.000 17.969) 19.287 2.207 ( 21.212 -0.000 -19.240) 28.638 2.647 ( 3.275 -0.000 -1.639) 3.663 2.816 ( 9.663 -0.000 -10.566) 14.318 2.970 ( -1.372 0.000 3.557) 3.812 3.010 ( -13.966 0.000 -4.427) 14.651 3.200 ( -8.190 0.000 -7.269) 10.951 3.353 ( -3.823 0.000 -5.249) 6.493 3.486 ( -6.063 0.000 -2.142) 6.430 3.612 ( -1.015 0.000 0.421) 1.099 3.774 ( -4.050 0.000 2.936) 5.003 3.819 ( 1.196 -0.000 1.173) 1.675 4.205 ( 5.853 -0.000 0.247) 5.859 4.269 ( -7.581 0.000 2.609) 8.017 4.529 ( -18.362 0.000 4.297) 18.858 4.852 ( -0.793 0.000 0.488) 0.931 4.960 ( 2.483 -0.000 -1.075) 2.706 5.039 ( -2.262 0.000 2.863) 3.648 5.040 ( -0.452 0.000 -1.315) 1.390 5.436 ( 6.214 -0.000 0.631) 6.246 5.597 ( -1.841 0.000 2.563) 3.155 5.634 ( 13.345 -0.000 5.930) 14.603 5.781 ( 6.096 -0.000 -4.072) 7.331 5.793 ( 0.381 -0.000 1.892) 1.930 6.223 ( -0.888 0.000 1.842) 2.045 6.293 ( -2.128 0.000 -5.492) 5.890 6.569 ( 5.587 -0.000 4.686) 7.292 6.635 ( 0.057 -0.000 1.550) 1.551 7.890 ( 0.557 -0.000 1.620) 1.713 8.089 ( 6.619 -0.000 5.639) 8.695 8.339 ( -6.132 0.000 -3.184) 6.909 8.484 ( -5.522 0.000 -4.487) 7.115 8.865 ( -8.058 0.000 -1.472) 8.192 8.955 ( 1.309 -0.000 3.768) 3.989 9.279 ( 1.150 -0.000 -1.013) 1.532 9.380 ( 7.268 -0.000 -5.035) 8.842 9.468 ( 7.827 -0.000 0.475) 7.841 9.469 ( 3.135 -0.000 2.886) 4.261 9.816 ( -2.315 0.000 2.174) 3.176 9.985 ( 4.240 -0.000 -3.850) 5.727 10.348 ( -1.532 0.000 -0.376) 1.578 10.410 ( -6.812 0.000 -7.916) 10.443 10.648 ( 8.982 -0.000 12.697) 15.553 10.952 ( 6.563 -0.000 -3.795) 7.582 11.120 ( -0.770 0.000 10.491) 10.519 11.146 ( 1.056 -0.000 -2.267) 2.500 11.390 ( 2.669 -0.000 2.788) 3.859 11.573 ( 5.568 -0.000 -0.545) 5.595 11.872 ( 7.697 -0.000 2.153) 7.992 12.124 ( -7.087 0.000 -8.329) 10.936 12.176 ( -9.604 0.000 -6.913) 11.833 12.186 ( 9.622 -0.000 4.114) 10.465 12.437 ( -0.672 0.000 -1.771) 1.895 12.608 ( -11.193 0.000 -3.534) 11.737 12.858 ( -1.838 0.000 0.578) 1.926 12.978 ( 0.560 -0.000 -2.070) 2.144 13.350 ( 0.769 -0.000 0.451) 0.892 13.444 ( -3.554 0.000 1.569) 3.884 13.572 ( 4.652 -0.000 3.489) 5.814 13.668 ( 7.261 -0.000 2.347) 7.631 14.317 ( -15.657 0.000 -10.435) 18.815 14.470 ( -1.828 0.000 -1.387) 2.295 14.531 ( -1.123 0.000 -1.275) 1.699 14.898 ( -1.361 0.000 5.739) 5.899 14.998 ( 1.596 -0.000 -0.830) 1.799 15.219 ( 1.601 -0.000 -2.319) 2.818 15.909 ( -2.134 0.000 -7.069) 7.384 16.450 ( 5.568 -0.000 0.610) 5.602 16.570 ( 0.823 -0.000 3.376) 3.475 16.637 ( 1.370 -0.000 1.654) 2.148 16.918 ( -1.387 0.000 -0.281) 1.416 16.986 ( -0.674 0.000 -0.959) 1.172 17.225 ( -1.023 0.000 -0.534) 1.154 17.557 ( 3.681 -0.000 1.825) 4.109 19.916 ( -3.171 0.000 -5.823) 6.630 20.181 ( -0.724 0.000 1.534) 1.697 20.980 ( -1.447 0.000 1.703) 2.234 20.998 ( -0.646 0.000 -1.685) 1.805 21.991 ( -2.094 0.000 5.496) 5.882 22.319 ( 4.649 -0.000 -2.452) 5.255 23.301 ( -1.339 0.000 3.996) 4.215 23.452 ( 3.252 -0.000 -2.695) 4.224 26.971 ( -0.174 0.000 0.084) 0.193 26.974 ( -0.092 0.000 -0.111) 0.144 29.426 ( -0.555 0.000 -1.058) 1.194 29.587 ( 5.531 -0.000 -0.666) 5.571 30.351 ( -12.089 0.000 -4.933) 13.056 30.730 ( -3.046 0.000 0.183) 3.052 30.756 ( -3.178 0.000 3.143) 4.470 31.310 ( -3.144 0.000 -4.272) 5.304 31.473 ( -2.295 0.000 2.340) 3.278 32.007 ( 3.023 -0.000 -0.934) 3.164 32.199 ( 1.726 -0.000 -0.420) 1.777 32.355 ( 9.694 -0.000 -4.472) 10.676 32.700 ( 3.268 -0.000 -1.753) 3.708 33.399 ( 28.881 -0.000 -31.829) 42.979 33.601 ( -5.192 0.000 7.008) 8.722 33.821 ( 7.119 -0.000 -6.717) 9.787 35.358 ( -2.217 0.000 1.991) 2.980 35.495 ( 1.296 -0.000 -2.079) 2.450 35.719 ( -2.386 0.000 5.786) 6.259 35.867 ( 3.819 -0.000 -4.956) 6.257 36.341 ( -5.112 0.000 -3.147) 6.003 36.454 ( -8.178 0.000 4.158) 9.174 37.226 ( -25.251 0.000 25.627) 35.977 38.901 ( 11.658 -0.000 2.088) 11.843 ======================= Grid point 152 (74/114) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 11.066 -7.934 -11.096) 17.565 2.017 ( 0.543 3.089 5.074) 5.965 2.252 ( 7.499 -2.166 -3.978) 8.761 2.358 ( 5.471 -6.438 -3.462) 9.130 2.660 ( 7.785 -6.388 2.224) 10.313 2.699 ( -2.473 6.907 -4.078) 8.393 2.866 ( 0.777 1.484 -12.347) 12.460 3.056 ( 10.152 0.773 -3.404) 10.735 3.169 ( -4.732 -5.733 -0.726) 7.469 3.333 ( -1.711 -4.757 -7.650) 9.169 3.526 ( -5.719 -8.145 1.306) 10.037 3.606 ( -0.269 0.547 3.143) 3.201 3.724 ( -2.143 2.567 1.350) 3.606 3.861 ( 1.055 -1.347 0.462) 1.773 4.188 ( -8.990 -1.008 1.047) 9.106 4.300 ( 3.310 -2.076 3.819) 5.464 4.477 ( -9.954 -2.081 6.332) 11.979 4.816 ( 0.133 3.495 -0.497) 3.533 4.934 ( -1.983 2.590 -1.594) 3.630 5.044 ( -1.397 -0.178 4.086) 4.322 5.084 ( 2.148 -2.996 2.141) 4.263 5.430 ( -4.822 3.039 -3.034) 6.457 5.583 ( -3.454 -5.719 -3.337) 7.468 5.729 ( 6.725 1.452 3.839) 7.879 5.804 ( 8.788 2.202 -1.541) 9.190 5.946 ( 6.919 -7.726 4.849) 11.448 6.188 ( -1.188 7.164 -0.671) 7.293 6.211 ( 0.223 2.302 0.223) 2.324 6.576 ( -0.145 6.004 3.024) 6.725 6.616 ( 3.240 1.624 2.146) 4.212 7.860 ( -1.009 2.749 -3.222) 4.353 8.091 ( 4.234 7.594 4.198) 9.655 8.230 ( -5.839 4.784 -1.052) 7.621 8.457 ( -5.476 -5.199 -7.631) 10.735 8.840 ( -1.424 -1.933 4.608) 5.196 9.034 ( -0.322 -3.371 3.635) 4.968 9.218 ( 0.292 4.257 2.093) 4.753 9.404 ( 3.982 -0.536 -3.456) 5.300 9.511 ( 2.286 -1.253 -4.500) 5.201 9.552 ( 5.363 -1.962 4.644) 7.360 9.811 ( -1.294 1.443 0.688) 2.057 9.995 ( 2.888 -0.654 -5.814) 6.525 10.272 ( -3.176 2.737 -3.746) 5.622 10.345 ( -1.228 1.060 -4.439) 4.726 10.688 ( 2.302 6.446 9.402) 11.629 10.941 ( 6.369 4.726 -4.216) 8.982 11.135 ( -3.278 1.991 4.669) 6.042 11.204 ( -0.783 -4.733 2.102) 5.237 11.422 ( 2.140 -0.488 0.468) 2.244 11.625 ( 5.867 -1.430 1.813) 6.305 11.876 ( -3.543 9.946 -12.237) 16.162 11.961 ( 10.585 3.217 5.380) 12.302 12.123 ( -6.281 -2.752 -0.891) 6.915 12.245 ( 5.152 6.996 -1.714) 8.856 12.415 ( 1.802 -4.315 3.374) 5.766 12.551 ( -6.170 -0.853 -0.758) 6.275 12.782 ( -1.783 12.605 -4.285) 13.432 12.845 ( -3.296 0.460 0.541) 3.372 13.323 ( -2.187 1.827 0.339) 2.870 13.444 ( -0.554 -0.947 3.953) 4.103 13.619 ( 1.529 2.790 -1.577) 3.551 13.835 ( 3.189 -12.634 0.892) 13.061 14.193 ( -0.520 3.790 -0.946) 3.941 14.549 ( 0.098 -6.876 -0.646) 6.907 14.713 ( -0.883 -18.453 1.284) 18.519 15.009 ( -2.129 -10.099 4.517) 11.266 15.063 ( 1.740 -5.669 2.229) 6.335 15.245 ( -0.494 -4.518 -2.025) 4.976 15.915 ( -1.859 -6.803 -10.018) 12.251 16.414 ( 2.180 4.773 -1.564) 5.476 16.523 ( 1.209 6.196 4.779) 7.918 16.625 ( 0.364 5.979 2.889) 6.650 16.915 ( -0.280 -2.984 -0.557) 3.048 17.055 ( -0.461 -5.850 0.210) 5.872 17.287 ( 0.231 -6.122 -0.557) 6.152 17.581 ( 1.057 0.177 0.561) 1.210 19.902 ( -1.519 -4.406 -6.178) 7.739 20.130 ( -3.641 3.120 -2.174) 5.264 20.883 ( -2.051 8.002 1.705) 8.435 20.956 ( 0.655 4.636 -2.207) 5.176 22.084 ( -1.406 -7.904 5.906) 9.966 22.399 ( 3.785 -6.362 -2.515) 7.818 23.246 ( -2.189 6.780 4.605) 8.483 23.425 ( 2.859 3.805 -3.034) 5.644 27.086 ( 0.085 -12.093 -0.941) 12.130 27.118 ( -1.640 -15.610 2.154) 15.843 29.235 ( -1.262 16.805 -1.466) 16.916 29.551 ( 4.787 7.873 -2.737) 9.612 30.429 ( -1.027 -13.980 -1.126) 14.063 30.745 ( -2.181 -3.205 2.028) 4.375 30.777 ( -2.815 -3.016 3.656) 5.513 31.299 ( -1.654 -2.979 -2.970) 4.520 31.500 ( -3.815 -3.945 2.244) 5.929 31.928 ( 1.643 8.367 -0.778) 8.562 32.064 ( 2.569 12.074 -2.895) 12.679 32.489 ( 8.155 -7.428 -5.131) 12.166 32.831 ( 3.508 -10.296 -3.142) 11.322 33.365 ( 17.228 3.705 -30.023) 34.813 33.575 ( -5.444 2.903 7.907) 10.029 33.822 ( 8.973 2.894 -6.573) 11.493 35.374 ( -1.701 -2.054 1.754) 3.192 35.491 ( 0.819 -0.070 -1.349) 1.579 35.747 ( -3.804 -1.940 6.345) 7.647 35.918 ( 4.228 -4.233 -4.688) 7.601 36.293 ( -4.363 -0.313 -1.582) 4.652 36.411 ( -8.675 -1.758 1.230) 8.936 37.198 ( -15.401 2.588 28.173) 32.212 38.855 ( 6.428 12.640 -2.094) 14.334 ======================= Grid point 153 (75/114) ======================= q-point: ( 0.50 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -5.319 -5.119 -1.392) 7.512 1.927 ( 0.106 -0.159 -6.746) 6.749 2.283 ( 1.577 -1.463 -11.923) 12.116 2.422 ( -4.592 -1.506 -5.048) 6.988 2.690 ( 1.877 -1.391 -1.027) 2.553 2.809 ( 7.341 0.664 1.748) 7.575 2.865 ( 7.715 -4.740 -2.593) 9.419 3.196 ( 4.472 -14.691 -1.872) 15.471 3.206 ( 7.072 0.964 -4.098) 8.231 3.454 ( 4.464 -5.063 -3.477) 7.592 3.558 ( -7.748 -4.011 2.752) 9.149 3.685 ( 6.404 -1.232 2.669) 7.046 3.705 ( -2.714 -4.700 -1.566) 5.648 3.900 ( 2.960 -1.761 0.396) 3.467 4.156 ( -9.565 -1.042 2.193) 9.869 4.378 ( 4.428 0.007 7.339) 8.572 4.503 ( -2.874 -2.949 4.014) 5.751 4.744 ( 0.564 3.619 -2.230) 4.289 4.827 ( -8.662 2.446 -3.777) 9.761 5.058 ( -1.253 -1.271 2.775) 3.299 5.175 ( 2.482 -0.085 4.218) 4.894 5.291 ( -6.989 2.457 -1.000) 7.476 5.621 ( -1.023 3.885 -2.865) 4.934 5.756 ( 3.759 0.386 -2.997) 4.823 5.801 ( 3.244 0.289 0.619) 3.315 5.963 ( -4.741 8.109 -0.115) 9.394 6.124 ( 5.057 1.840 4.599) 7.079 6.267 ( 2.995 -7.686 -1.733) 8.429 6.464 ( -2.310 6.575 6.032) 9.217 6.625 ( 3.811 1.534 0.118) 4.110 7.786 ( 0.064 1.977 -3.122) 3.695 7.993 ( 3.948 8.251 4.774) 10.318 8.095 ( -2.339 5.060 0.685) 5.616 8.442 ( -7.708 -4.576 -12.031) 15.003 8.940 ( 0.194 -5.043 4.615) 6.839 9.017 ( -1.389 3.377 1.292) 3.873 9.290 ( 1.654 -4.556 6.357) 7.994 9.416 ( -0.797 -1.197 -0.663) 1.583 9.489 ( -0.966 0.541 -6.581) 6.674 9.621 ( 1.893 2.560 3.724) 4.899 9.756 ( 4.949 3.109 0.694) 5.885 9.978 ( -0.248 -0.778 -6.979) 7.027 10.181 ( -1.775 3.750 -3.799) 5.625 10.322 ( 3.762 1.140 3.047) 4.973 10.592 ( -3.401 7.092 2.299) 8.195 10.828 ( 4.471 9.007 -6.281) 11.856 11.082 ( -3.918 2.652 3.706) 6.010 11.276 ( -4.067 -4.552 0.905) 6.170 11.440 ( 0.100 -0.569 -2.279) 2.351 11.597 ( -0.163 9.203 -11.856) 15.010 11.735 ( 4.808 -2.751 3.887) 6.767 12.007 ( 10.129 3.607 5.464) 12.061 12.101 ( -1.051 4.988 -2.711) 5.774 12.197 ( -0.579 -5.752 1.232) 5.911 12.419 ( -4.827 2.832 -0.372) 5.609 12.541 ( -2.862 9.589 -2.663) 10.355 12.655 ( 7.761 -3.345 7.595) 11.363 12.841 ( -2.563 -2.595 0.258) 3.656 13.295 ( -3.440 -0.967 0.627) 3.628 13.505 ( -1.443 2.017 -2.031) 3.205 13.522 ( 3.664 0.989 5.552) 6.725 14.021 ( -7.867 -5.259 -6.370) 11.407 14.190 ( 13.595 -1.406 5.793) 14.845 14.605 ( -1.157 0.874 -3.837) 4.102 14.977 ( 0.253 -9.917 4.497) 10.892 15.187 ( -0.903 -5.568 3.697) 6.744 15.300 ( -0.234 -14.572 4.364) 15.214 15.398 ( 0.837 -12.015 2.319) 12.265 15.959 ( -2.386 -5.080 -9.273) 10.839 16.355 ( 0.070 1.265 -5.088) 5.244 16.447 ( 2.972 6.898 5.012) 9.029 16.539 ( -1.746 1.011 3.844) 4.341 16.996 ( 1.366 -4.302 0.451) 4.536 17.150 ( -1.145 -5.362 0.171) 5.486 17.383 ( 0.347 -3.771 -1.150) 3.958 17.579 ( -0.609 0.113 0.085) 0.625 19.978 ( 0.486 -8.023 -6.296) 10.210 20.034 ( -3.930 0.681 -4.304) 5.868 20.711 ( -2.140 10.347 2.705) 10.907 20.839 ( 2.017 7.472 -2.683) 8.191 22.293 ( -1.077 -12.207 5.691) 13.512 22.552 ( 2.851 -8.984 -2.891) 9.859 23.102 ( -3.491 9.317 5.252) 11.251 23.328 ( 2.283 7.124 -3.581) 8.293 27.369 ( 1.993 -18.702 -0.917) 18.830 27.470 ( -5.270 -23.173 4.245) 24.140 28.879 ( 0.708 21.266 0.167) 21.278 29.351 ( 2.292 14.152 -7.011) 15.959 30.715 ( 4.225 -12.897 2.832) 13.863 30.832 ( -0.820 -6.044 3.941) 7.262 30.877 ( -0.931 -8.542 3.771) 9.384 31.344 ( 0.512 -3.045 -0.816) 3.193 31.553 ( -5.961 -3.917 1.164) 7.227 31.781 ( 1.498 8.324 1.133) 8.534 31.843 ( 3.388 12.357 -3.166) 13.199 32.622 ( 8.538 -3.713 -12.076) 15.248 33.009 ( 3.347 -8.654 -7.272) 11.789 33.252 ( 3.528 0.351 -17.339) 17.698 33.509 ( -4.521 5.037 8.333) 10.736 33.780 ( 7.470 5.300 -4.709) 10.299 35.413 ( -1.079 -2.255 1.467) 2.899 35.503 ( 0.326 -1.302 -0.513) 1.437 35.795 ( -5.668 -2.958 7.206) 9.634 35.983 ( 1.177 -2.130 -2.644) 3.593 36.275 ( -2.787 -1.396 0.884) 3.240 36.429 ( -2.841 -5.992 -2.927) 7.248 37.210 ( -8.361 2.453 25.334) 26.791 38.569 ( 3.834 18.966 -8.241) 21.031 ======================= Grid point 154 (76/114) ======================= q-point: (-0.38 -0.75 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -3.162 -7.550 -1.121) 8.262 2.051 ( 4.504 -11.771 -3.616) 13.112 2.245 ( 4.494 0.119 -6.554) 7.947 2.403 ( -6.901 -6.781 -7.613) 12.311 2.637 ( 1.271 7.242 4.109) 8.423 2.750 ( -1.689 1.063 1.052) 2.256 3.123 ( 5.181 -3.174 1.507) 6.260 3.202 ( 13.793 -1.364 -3.401) 14.271 3.450 ( -6.019 -2.563 -2.736) 7.091 3.465 ( 3.850 -2.050 4.471) 6.246 3.601 ( -2.612 -5.288 -4.316) 7.308 3.727 ( 6.910 4.844 1.000) 8.498 3.834 ( -0.547 -7.391 -0.271) 7.416 3.925 ( 0.852 0.690 -5.142) 5.258 4.088 ( -4.252 3.705 3.454) 6.613 4.451 ( -0.110 -0.967 4.398) 4.504 4.552 ( -3.306 0.612 2.952) 4.474 4.648 ( -2.395 -0.252 -3.270) 4.062 4.775 ( 1.366 -2.085 -0.699) 2.589 5.052 ( -3.751 6.774 -3.087) 8.336 5.119 ( 2.200 -1.350 2.714) 3.745 5.326 ( -0.555 -3.703 5.368) 6.545 5.456 ( -2.894 6.036 -3.598) 7.599 5.664 ( -1.617 5.186 -1.194) 5.562 5.831 ( 1.064 1.220 -0.361) 1.658 5.931 ( 0.043 -4.722 3.580) 5.926 6.108 ( 0.207 3.866 1.023) 4.005 6.383 ( 0.652 -4.807 -7.249) 8.722 6.408 ( -2.747 2.470 7.648) 8.493 6.611 ( 2.077 2.366 -1.237) 3.383 7.762 ( 1.155 -0.299 -1.369) 1.816 7.939 ( 4.299 4.277 5.428) 8.139 8.071 ( 4.881 0.468 3.405) 5.970 8.396 ( -6.462 -4.163 -8.991) 11.829 8.978 ( -1.412 0.928 0.570) 1.783 9.020 ( -3.768 -3.814 -0.028) 5.361 9.319 ( -3.891 1.418 -0.322) 4.154 9.356 ( -2.628 3.357 -5.616) 7.051 9.491 ( 0.927 -2.268 2.303) 3.363 9.559 ( -0.520 4.967 0.625) 5.033 9.821 ( 8.294 -0.455 -0.731) 8.339 9.974 ( -2.096 -3.021 -3.239) 4.900 10.098 ( 5.016 5.093 4.731) 8.572 10.373 ( 0.754 -0.879 3.905) 4.073 10.437 ( -3.223 5.986 0.465) 6.814 10.645 ( 2.336 9.027 -7.293) 11.838 11.031 ( -4.535 1.884 4.308) 6.533 11.297 ( -4.121 -1.604 -4.683) 6.441 11.402 ( -2.558 -0.798 -1.646) 3.145 11.474 ( 1.583 2.616 -3.684) 4.788 11.783 ( 5.134 4.194 3.040) 7.293 11.982 ( 0.092 5.691 -1.970) 6.023 12.122 ( 7.821 -4.543 5.717) 10.700 12.294 ( -3.077 -1.322 0.160) 3.353 12.362 ( -2.192 1.056 -1.439) 2.827 12.409 ( -2.041 -4.351 -1.981) 5.199 12.700 ( 0.525 2.991 1.666) 3.464 12.854 ( -0.848 3.391 -0.434) 3.522 13.279 ( -3.750 0.133 1.336) 3.984 13.464 ( 1.982 -2.079 -2.267) 3.659 13.676 ( 7.708 -5.337 9.043) 13.026 13.924 ( -1.507 6.690 -0.211) 6.861 14.357 ( 6.522 0.339 -1.195) 6.639 14.537 ( -4.442 -3.659 -2.196) 6.159 15.155 ( 1.221 -6.945 3.635) 7.934 15.276 ( -3.836 -4.541 1.556) 6.145 15.427 ( 3.496 2.507 1.287) 4.490 15.614 ( -1.049 -6.437 2.072) 6.843 15.963 ( -2.065 -3.373 -2.574) 4.719 16.302 ( -2.349 0.035 -2.501) 3.431 16.424 ( 6.651 4.554 5.060) 9.517 16.602 ( -2.480 -7.208 -2.613) 8.058 17.075 ( 1.959 -3.139 0.269) 3.710 17.242 ( -0.472 -5.495 -0.042) 5.515 17.396 ( -0.771 1.245 0.029) 1.464 17.577 ( -1.122 -0.500 -0.330) 1.272 20.020 ( -2.000 -4.854 -2.857) 5.976 20.121 ( 2.118 -9.385 -6.179) 11.435 20.532 ( -1.670 9.223 3.668) 10.065 20.703 ( 2.015 7.539 -2.751) 8.274 22.537 ( -1.230 -12.098 4.618) 13.008 22.704 ( 1.034 -6.269 -2.252) 6.741 22.948 ( -2.676 6.558 4.280) 8.276 23.172 ( 1.681 9.510 -3.835) 10.391 27.758 ( 5.633 -21.183 0.712) 21.930 27.870 ( -7.648 -24.270 3.310) 25.660 28.505 ( 2.443 22.797 2.640) 23.079 29.020 ( -1.668 16.751 -11.850) 20.587 30.921 ( 0.815 -7.689 4.824) 9.113 30.972 ( 0.598 -6.263 4.291) 7.615 31.115 ( 3.972 -10.352 3.541) 11.639 31.371 ( 1.245 0.921 -1.320) 2.035 31.520 ( -1.752 3.186 -1.230) 3.839 31.668 ( 7.378 8.656 0.676) 11.394 31.722 ( -5.273 -0.171 4.159) 6.718 32.555 ( 6.282 6.239 -22.940) 24.589 33.101 ( 0.134 -5.009 -3.873) 6.333 33.280 ( -1.349 -8.313 -6.564) 10.678 33.433 ( -2.637 5.187 8.338) 10.168 33.700 ( 4.931 6.529 -2.445) 8.539 35.451 ( -0.582 -1.675 1.880) 2.584 35.527 ( -0.026 -1.229 -0.306) 1.267 35.829 ( -6.564 -1.228 7.097) 9.745 35.994 ( -0.554 -0.997 -1.152) 1.622 36.311 ( -2.924 -3.395 3.531) 5.705 36.514 ( 0.436 -4.599 -1.707) 4.924 37.283 ( -1.812 -2.684 15.915) 16.241 38.200 ( 2.455 17.677 -11.456) 21.208 ======================= Grid point 155 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 8.786 -1.265 5.384) 10.382 2.145 ( 0.487 1.673 0.384) 1.784 2.344 ( 4.536 -3.539 1.608) 5.974 2.416 ( -6.301 -3.150 -5.508) 8.942 2.691 ( 0.537 -11.052 3.241) 11.530 2.815 ( 4.841 -8.384 2.565) 10.015 3.098 ( 4.349 6.127 -0.228) 7.517 3.262 ( 2.559 9.226 -1.541) 9.697 3.381 ( -0.929 6.612 -0.153) 6.679 3.461 ( -2.574 1.772 0.800) 3.226 3.581 ( -3.118 4.541 -2.078) 5.888 3.648 ( 4.560 8.409 -6.831) 11.754 3.728 ( -4.607 4.217 -4.214) 7.535 3.975 ( 1.417 0.573 -2.796) 3.187 4.048 ( 4.775 -0.404 7.480) 8.883 4.394 ( -11.294 -0.514 -6.528) 13.055 4.558 ( -0.790 -4.045 4.240) 5.913 4.691 ( 1.888 -2.710 -4.480) 5.567 4.829 ( -1.525 -1.413 3.832) 4.359 4.962 ( 2.086 -0.817 1.750) 2.843 5.201 ( 7.320 -1.580 0.694) 7.521 5.312 ( -4.840 -0.385 -6.300) 7.954 5.516 ( 6.325 -6.224 5.709) 10.552 5.590 ( -5.622 -0.081 1.741) 5.886 5.832 ( 1.439 1.460 1.202) 2.376 5.976 ( -4.247 3.619 1.314) 5.733 6.079 ( -0.493 -4.371 1.699) 4.715 6.373 ( -4.016 2.080 1.507) 4.767 6.374 ( -0.043 0.347 -6.093) 6.103 6.555 ( 0.455 3.853 -2.503) 4.617 7.797 ( 2.457 -1.502 0.421) 2.911 7.958 ( 3.801 0.396 0.638) 3.875 8.140 ( 3.799 -1.638 5.668) 7.017 8.406 ( -3.586 -3.815 -2.572) 5.833 8.946 ( 1.661 1.204 -0.331) 2.078 9.069 ( -2.964 -5.309 -0.921) 6.150 9.203 ( -6.467 3.069 -0.202) 7.161 9.318 ( 2.169 1.039 -3.887) 4.571 9.483 ( -1.341 2.386 0.369) 2.762 9.550 ( 1.674 -2.110 -1.929) 3.313 9.788 ( -2.504 2.321 0.263) 3.425 9.980 ( -5.329 -2.250 -4.454) 7.301 10.121 ( 10.228 6.305 6.246) 13.542 10.309 ( 0.009 5.073 -0.303) 5.082 10.441 ( -1.634 -1.567 3.412) 4.094 10.536 ( 2.284 -0.629 -3.163) 3.952 11.014 ( -4.480 -1.403 5.898) 7.538 11.282 ( 1.616 -2.399 -4.850) 5.647 11.415 ( -0.712 2.813 0.977) 3.062 11.427 ( -2.392 -2.849 1.198) 3.908 11.726 ( 4.751 7.119 1.479) 8.686 11.849 ( -2.797 6.434 -4.151) 8.151 12.229 ( 3.148 2.560 1.855) 4.461 12.337 ( 5.377 -5.958 5.425) 9.687 12.380 ( -1.829 -4.450 -2.819) 5.576 12.538 ( -4.585 -11.546 -4.366) 13.168 12.635 ( -1.759 2.577 -1.494) 3.459 12.700 ( -1.415 9.557 -1.508) 9.778 13.286 ( -2.137 -1.669 3.968) 4.806 13.505 ( 0.993 -2.046 -4.021) 4.620 13.781 ( 1.541 7.700 2.631) 8.281 13.856 ( 5.540 0.830 2.364) 6.080 14.325 ( 1.825 0.363 5.626) 5.926 14.638 ( -0.634 -6.852 -4.021) 7.970 15.232 ( -3.252 2.303 3.559) 5.343 15.348 ( 5.882 -0.788 2.925) 6.616 15.368 ( -2.229 0.548 -2.897) 3.696 15.568 ( -5.746 2.579 -4.379) 7.671 16.100 ( 2.487 -6.704 4.604) 8.504 16.258 ( -2.587 1.853 0.275) 3.194 16.389 ( 4.434 7.212 4.245) 9.471 16.676 ( -1.554 -5.891 -9.914) 11.636 17.145 ( 2.752 -1.694 0.922) 3.361 17.277 ( -2.188 0.746 -3.654) 4.324 17.400 ( 1.250 -1.328 5.029) 5.349 17.563 ( -1.932 0.462 -1.075) 2.259 20.123 ( 0.821 -7.258 -0.973) 7.369 20.205 ( 0.834 1.342 -1.945) 2.506 20.471 ( 1.093 -3.466 0.931) 3.752 20.581 ( 0.362 4.679 -2.484) 5.310 22.656 ( -3.144 9.344 4.342) 10.772 22.735 ( -1.674 -7.944 2.123) 8.392 22.948 ( 2.211 2.738 -2.409) 4.265 23.016 ( 0.522 -1.109 -3.070) 3.306 28.123 ( -0.159 17.347 3.730) 17.744 28.176 ( 5.812 -12.093 1.123) 13.464 28.266 ( -2.053 -20.957 2.790) 21.242 28.630 ( -4.545 12.466 -13.911) 19.224 31.049 ( -0.240 2.672 3.502) 4.412 31.092 ( -0.926 -7.543 4.921) 9.054 31.217 ( 2.169 2.226 -0.798) 3.209 31.346 ( 0.387 -1.636 -2.239) 2.800 31.494 ( 2.404 0.344 3.064) 3.910 31.660 ( 6.068 -0.113 -1.307) 6.208 31.718 ( -2.952 0.653 7.051) 7.672 32.324 ( 4.682 7.985 -20.705) 22.680 33.149 ( -0.624 -0.769 1.956) 2.192 33.346 ( -1.251 0.669 -2.488) 2.864 33.421 ( 0.335 -3.534 2.604) 4.402 33.614 ( 2.025 3.567 -2.193) 4.651 35.478 ( -0.822 -0.327 2.404) 2.561 35.537 ( 0.193 0.028 -0.410) 0.454 35.819 ( -5.130 1.284 6.785) 8.602 36.011 ( -0.135 -1.758 -1.541) 2.342 36.374 ( -5.188 -3.814 5.428) 8.422 36.557 ( -1.044 -0.370 2.920) 3.123 37.449 ( 1.856 -7.373 5.314) 9.276 37.894 ( 2.251 9.418 -10.601) 14.358 ======================= Grid point 156 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 9.156 10.237 10.395) 17.225 2.179 ( 4.966 1.008 0.374) 5.081 2.291 ( -9.828 2.614 3.634) 10.800 2.416 ( 1.292 3.861 1.745) 4.429 2.830 ( -10.711 9.964 -1.625) 14.719 2.922 ( 8.542 6.257 7.695) 13.090 3.000 ( 8.757 8.306 2.323) 12.291 3.170 ( 9.084 -4.498 -1.752) 10.287 3.193 ( -6.065 11.123 -11.224) 16.926 3.317 ( 2.761 -0.323 -8.467) 8.912 3.439 ( 7.836 4.197 0.684) 8.916 3.603 ( 3.328 -0.218 -6.841) 7.611 3.677 ( -7.997 -2.555 4.906) 9.723 4.007 ( -2.401 -4.729 -0.866) 5.374 4.122 ( 3.722 1.068 5.789) 6.965 4.281 ( -8.172 -0.656 -7.673) 11.228 4.696 ( 0.439 -6.839 3.923) 7.897 4.726 ( -2.822 -4.970 -4.139) 7.057 4.907 ( 0.887 -5.025 3.510) 6.193 5.027 ( 1.145 -1.244 5.017) 5.294 5.237 ( -2.817 0.018 -2.565) 3.810 5.294 ( 4.831 -0.781 -2.996) 5.738 5.568 ( -5.834 -0.945 0.097) 5.911 5.689 ( 4.746 -3.533 2.065) 6.267 5.789 ( -3.318 3.356 0.420) 4.738 5.835 ( 1.977 7.953 -0.518) 8.212 6.203 ( -1.200 -7.038 3.204) 7.826 6.302 ( -4.499 3.247 3.933) 6.801 6.347 ( -0.254 -2.302 -7.094) 7.463 6.465 ( 1.797 4.802 -2.323) 5.629 7.835 ( 1.316 -0.248 2.210) 2.584 7.942 ( -3.035 -0.818 -6.090) 6.854 8.285 ( 8.729 -3.050 10.436) 13.943 8.397 ( -6.041 -1.705 -4.380) 7.654 8.967 ( -1.613 0.499 2.598) 3.098 9.135 ( -1.249 -5.124 -3.738) 6.464 9.153 ( 2.157 -0.416 2.734) 3.507 9.294 ( 4.306 2.292 -3.723) 6.136 9.446 ( -1.013 1.982 0.895) 2.399 9.512 ( 0.132 4.196 -0.497) 4.227 9.832 ( -1.912 -5.690 0.516) 6.025 9.962 ( 2.665 -2.553 -2.162) 4.277 10.098 ( -2.824 2.556 2.841) 4.752 10.196 ( 0.578 3.852 -2.452) 4.603 10.492 ( -2.893 -3.964 2.060) 5.322 10.614 ( 5.004 -3.964 -0.960) 6.456 11.057 ( -5.952 -2.729 5.762) 8.721 11.352 ( 9.011 -2.180 -3.664) 9.969 11.402 ( 0.387 0.225 5.328) 5.347 11.487 ( -1.983 -5.004 3.845) 6.614 11.643 ( 3.260 4.827 -0.406) 5.839 11.671 ( -1.530 7.698 -6.402) 10.129 12.267 ( 5.129 0.158 2.778) 5.835 12.339 ( -6.483 -1.496 -5.947) 8.923 12.464 ( 0.604 1.333 4.058) 4.314 12.557 ( -1.289 3.121 -1.135) 3.562 12.639 ( -4.983 -7.695 -2.899) 9.615 12.700 ( 4.418 -8.102 -0.781) 9.261 13.341 ( -1.129 -2.757 5.020) 5.837 13.500 ( -1.381 -0.499 -3.873) 4.142 13.681 ( 5.097 7.154 3.066) 9.304 13.765 ( -2.096 7.384 -5.227) 9.287 14.472 ( 5.381 -4.862 10.020) 12.369 14.668 ( -2.516 -0.248 -4.695) 5.333 15.128 ( -4.631 7.279 1.993) 8.854 15.225 ( 1.065 6.459 -1.920) 6.822 15.432 ( -2.641 0.852 -0.391) 2.802 15.545 ( 0.989 -3.314 -3.528) 4.941 16.076 ( -2.417 6.518 4.632) 8.354 16.275 ( 3.766 4.121 -3.610) 6.648 16.366 ( 1.617 -2.493 8.044) 8.575 16.658 ( -2.983 -1.229 -12.011) 12.437 17.161 ( 1.712 3.023 1.855) 3.938 17.204 ( -2.351 2.277 -3.374) 4.701 17.453 ( 1.680 0.520 3.465) 3.886 17.525 ( -1.221 1.601 -1.109) 2.299 20.131 ( 0.192 4.898 2.277) 5.405 20.206 ( 2.745 0.800 -2.623) 3.881 20.545 ( -2.142 -5.760 1.231) 6.268 20.644 ( 2.460 -10.357 -2.704) 10.984 22.454 ( -3.492 12.538 5.376) 14.082 22.699 ( 4.049 10.938 -4.892) 12.648 22.939 ( -5.059 -6.906 4.328) 9.593 23.150 ( 2.881 -8.893 -4.095) 10.206 27.767 ( 1.437 22.621 5.888) 23.419 28.005 ( -5.306 21.064 -11.958) 24.796 28.643 ( -6.111 -22.276 -0.190) 23.100 28.759 ( 9.694 -19.698 1.054) 21.979 30.949 ( -1.595 6.936 1.957) 7.381 31.069 ( 0.071 8.109 -3.657) 8.896 31.218 ( -9.415 -0.901 4.773) 10.595 31.448 ( 3.441 -6.836 0.662) 7.682 31.544 ( 3.603 -1.651 3.082) 5.020 31.669 ( -1.202 0.106 -2.465) 2.744 31.702 ( -2.563 1.600 -0.010) 3.021 32.215 ( 18.938 2.596 -11.556) 22.337 33.145 ( 3.832 4.336 4.145) 7.118 33.250 ( 0.178 7.058 -2.393) 7.454 33.486 ( -1.391 -2.230 2.205) 3.431 33.629 ( 1.241 -5.854 -5.600) 8.196 35.473 ( -1.361 1.245 2.130) 2.818 35.525 ( 0.571 1.349 -0.352) 1.507 35.787 ( -3.860 2.730 7.387) 8.771 36.025 ( 0.907 -0.649 -3.307) 3.490 36.410 ( -5.765 -1.767 4.632) 7.603 36.560 ( -1.891 0.793 3.683) 4.215 37.478 ( -14.892 0.628 2.581) 15.128 37.935 ( 14.814 -11.240 -6.131) 19.580 ======================= Grid point 160 (79/114) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 15.947 -0.000 -13.369) 20.809 2.144 ( 11.566 -0.000 -7.351) 13.704 2.277 ( -9.723 0.000 8.561) 12.955 2.377 ( 11.587 -0.000 -6.906) 13.489 2.594 ( -19.108 0.000 -4.288) 19.583 2.695 ( 5.401 -0.000 -0.145) 5.403 2.878 ( 9.478 -0.000 -7.384) 12.015 2.969 ( -1.285 0.000 -1.190) 1.751 3.132 ( 5.805 -0.000 -6.917) 9.030 3.157 ( -11.184 0.000 -9.400) 14.609 3.459 ( 2.995 -0.000 3.639) 4.713 3.620 ( -0.550 0.000 0.850) 1.012 3.793 ( 0.462 -0.000 7.385) 7.400 3.859 ( 1.359 -0.000 0.284) 1.388 4.105 ( -8.344 0.000 4.088) 9.291 4.344 ( 8.522 -0.000 2.626) 8.917 4.434 ( -7.036 0.000 6.409) 9.517 4.852 ( -1.058 0.000 1.477) 1.817 5.002 ( 2.164 -0.000 0.340) 2.191 5.005 ( -4.676 0.000 -3.206) 5.669 5.064 ( -1.007 0.000 5.774) 5.861 5.377 ( -7.061 0.000 -4.931) 8.612 5.500 ( 1.215 -0.000 -3.410) 3.620 5.800 ( 0.705 -0.000 1.927) 2.052 5.886 ( 10.534 -0.000 -2.266) 10.775 5.952 ( 4.341 -0.000 8.155) 9.238 6.251 ( 2.020 -0.000 -2.726) 3.393 6.252 ( -0.683 0.000 3.786) 3.848 6.652 ( -0.166 0.000 2.797) 2.802 6.656 ( 0.279 -0.000 2.535) 2.551 7.866 ( -0.509 0.000 -4.968) 4.994 8.188 ( -3.862 0.000 -0.635) 3.914 8.229 ( -4.187 0.000 0.058) 4.187 8.326 ( -1.530 0.000 -5.928) 6.122 8.890 ( 5.247 -0.000 9.780) 11.098 9.009 ( 0.413 -0.000 3.974) 3.996 9.286 ( 1.282 -0.000 -0.955) 1.599 9.398 ( 0.428 -0.000 -4.037) 4.060 9.510 ( 0.738 -0.000 -3.916) 3.985 9.552 ( 2.908 -0.000 4.618) 5.458 9.841 ( 2.561 -0.000 2.818) 3.808 9.961 ( -1.383 0.000 -7.634) 7.758 10.219 ( -5.791 0.000 -10.071) 11.617 10.309 ( -0.711 0.000 -0.956) 1.192 10.798 ( -4.774 0.000 4.324) 6.441 11.005 ( 6.139 -0.000 -4.876) 7.840 11.132 ( -0.494 0.000 -1.408) 1.493 11.176 ( -5.044 0.000 7.201) 8.791 11.436 ( 0.831 -0.000 -0.252) 0.869 11.662 ( 4.924 -0.000 1.551) 5.162 11.897 ( -8.760 0.000 -8.727) 12.365 11.958 ( -5.258 0.000 -2.332) 5.752 12.208 ( 15.639 -0.000 10.306) 18.729 12.329 ( 5.668 -0.000 3.578) 6.703 12.437 ( -2.871 0.000 2.576) 3.858 12.510 ( 10.324 -0.000 -3.801) 11.001 12.837 ( -2.590 0.000 2.395) 3.527 12.880 ( -3.438 0.000 -8.128) 8.826 13.338 ( -2.391 0.000 0.055) 2.392 13.469 ( 0.946 -0.000 5.626) 5.705 13.575 ( -2.243 0.000 -4.273) 4.826 13.719 ( -2.410 0.000 -1.208) 2.696 14.341 ( 15.174 -0.000 12.423) 19.611 14.441 ( -0.164 0.000 -0.787) 0.804 14.503 ( -1.011 0.000 -0.881) 1.341 14.956 ( -0.848 0.000 7.761) 7.807 15.007 ( 0.709 -0.000 -0.628) 0.947 15.216 ( 1.963 -0.000 -2.387) 3.091 15.767 ( -2.828 0.000 -10.188) 10.573 16.428 ( -2.979 0.000 -7.161) 7.756 16.655 ( 2.339 -0.000 5.630) 6.097 16.706 ( 3.061 -0.000 3.490) 4.642 16.916 ( -0.413 0.000 2.238) 2.276 16.977 ( 0.637 -0.000 0.183) 0.662 17.224 ( 1.074 -0.000 0.422) 1.154 17.580 ( -1.265 0.000 -1.125) 1.693 19.819 ( -0.208 0.000 -6.083) 6.086 20.105 ( -6.479 0.000 -4.671) 7.987 20.964 ( -2.206 0.000 0.697) 2.313 20.973 ( 0.065 -0.000 -1.708) 1.710 22.037 ( -0.747 0.000 6.251) 6.295 22.349 ( 2.566 -0.000 -2.406) 3.518 23.317 ( -2.095 0.000 3.392) 3.987 23.461 ( 2.176 -0.000 -3.299) 3.952 26.969 ( -0.131 0.000 0.103) 0.166 26.972 ( 0.013 -0.000 -0.068) 0.069 29.402 ( 0.474 -0.000 -1.170) 1.263 29.626 ( 1.735 -0.000 -3.212) 3.650 30.314 ( 5.771 -0.000 5.635) 8.066 30.720 ( -0.163 0.000 2.689) 2.694 30.751 ( -2.467 0.000 3.888) 4.605 31.242 ( 0.163 -0.000 -3.282) 3.286 31.448 ( -3.355 0.000 1.652) 3.739 32.017 ( 1.017 -0.000 -1.805) 2.072 32.189 ( -0.356 0.000 -2.924) 2.946 32.418 ( 6.273 -0.000 -7.101) 9.475 32.743 ( 4.527 -0.000 -1.694) 4.834 33.334 ( 13.340 -0.000 -36.004) 38.396 33.603 ( -5.953 0.000 8.580) 10.443 33.884 ( 10.772 -0.000 -8.464) 13.700 35.356 ( -1.076 0.000 2.418) 2.647 35.490 ( 0.938 -0.000 -1.866) 2.089 35.729 ( -4.768 0.000 5.660) 7.400 35.883 ( 4.762 -0.000 -4.374) 6.465 36.254 ( -1.814 0.000 -1.922) 2.643 36.329 ( -10.615 0.000 2.526) 10.911 37.303 ( -9.673 0.000 33.333) 34.708 38.980 ( -0.433 0.000 -4.202) 4.224 ======================= Grid point 161 (80/114) ======================= q-point: (-0.50 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 8.646 -4.809 -9.606) 13.790 1.939 ( -16.585 15.556 1.647) 22.798 2.189 ( -2.163 0.477 -12.830) 13.020 2.342 ( 7.038 -6.007 -12.881) 15.860 2.594 ( -3.403 -2.140 3.559) 5.369 2.806 ( 8.384 -4.966 -2.176) 9.984 2.869 ( 1.915 -2.875 -2.889) 4.504 3.069 ( 2.896 -1.007 -6.239) 6.951 3.141 ( -5.933 -10.548 -2.294) 12.317 3.282 ( 5.374 -16.981 -0.386) 17.815 3.513 ( 5.636 1.982 3.076) 6.720 3.596 ( -2.956 1.220 1.146) 3.397 3.786 ( 4.740 3.497 3.910) 7.070 3.899 ( -2.414 -2.849 0.640) 3.788 4.111 ( 1.004 0.957 6.709) 6.851 4.425 ( 0.554 -0.989 3.850) 4.014 4.450 ( -0.768 -3.072 4.030) 5.126 4.780 ( -10.928 4.473 -2.363) 12.042 4.852 ( 1.427 5.621 -0.782) 5.852 5.050 ( -2.825 -0.595 3.304) 4.387 5.153 ( 1.357 -5.677 2.798) 6.473 5.295 ( -1.213 3.700 -3.016) 4.925 5.575 ( 4.893 -7.262 -2.458) 9.095 5.745 ( -6.144 3.415 -1.560) 7.201 5.931 ( 7.382 3.848 -0.953) 8.379 6.017 ( -1.800 0.088 1.232) 2.183 6.224 ( -2.610 2.772 3.720) 5.323 6.238 ( 6.421 2.413 2.224) 7.211 6.598 ( -1.528 5.936 3.386) 7.003 6.668 ( 0.640 0.597 1.489) 1.727 7.807 ( -0.753 2.058 -3.514) 4.141 8.117 ( -6.937 0.439 -3.177) 7.642 8.187 ( 2.106 3.766 0.131) 4.316 8.281 ( -0.200 1.496 -5.243) 5.456 8.942 ( 3.268 1.908 7.152) 8.092 9.083 ( 2.061 0.916 2.706) 3.523 9.287 ( 1.551 -0.582 3.878) 4.218 9.383 ( -1.123 -1.585 -0.932) 2.155 9.448 ( -1.068 0.929 -6.207) 6.367 9.645 ( -1.089 -1.685 2.509) 3.213 9.864 ( 3.073 0.759 -0.082) 3.166 9.907 ( 1.412 -0.311 -3.023) 3.351 10.130 ( -6.522 -1.780 -8.994) 11.251 10.328 ( 0.939 -2.245 -1.521) 2.870 10.699 ( -6.202 5.919 1.111) 8.645 10.953 ( 2.416 5.844 -7.611) 9.896 11.109 ( -3.339 2.133 3.136) 5.053 11.201 ( -2.439 -2.413 4.743) 5.854 11.420 ( -1.502 0.719 -3.102) 3.521 11.667 ( -3.625 6.474 -8.886) 11.577 11.751 ( 5.166 -1.122 1.401) 5.469 11.959 ( -6.114 -4.228 -2.595) 7.873 12.252 ( 2.719 8.570 3.625) 9.694 12.333 ( 12.367 5.172 5.799) 14.605 12.482 ( 2.166 6.034 1.148) 6.513 12.599 ( 0.175 -3.680 2.156) 4.269 12.731 ( 6.844 5.042 -0.867) 8.545 12.822 ( -0.907 0.954 1.215) 1.791 13.291 ( -3.084 2.104 1.993) 4.233 13.490 ( 0.351 -0.962 2.615) 2.808 13.612 ( 0.860 1.511 -1.706) 2.435 13.746 ( -5.286 -10.828 -2.132) 12.236 14.368 ( 7.928 4.218 5.052) 10.304 14.541 ( 0.688 -5.529 -2.043) 5.934 14.814 ( 7.337 -14.457 7.960) 18.061 15.002 ( -4.430 -10.074 3.166) 11.451 15.161 ( 5.404 -8.511 7.180) 12.377 15.236 ( 1.112 -4.700 0.101) 4.830 15.766 ( -1.873 -7.165 -9.510) 12.053 16.326 ( -4.086 1.767 -9.499) 10.491 16.620 ( 2.633 6.485 4.392) 8.263 16.667 ( 0.531 8.310 3.508) 9.036 16.946 ( 1.760 -3.227 2.428) 4.406 17.049 ( -0.372 -4.666 0.134) 4.683 17.305 ( 1.910 -5.351 1.081) 5.783 17.557 ( -2.998 -0.529 -2.115) 3.707 19.834 ( 1.977 -4.622 -5.752) 7.640 19.994 ( -6.660 1.903 -6.527) 9.517 20.867 ( -2.312 7.377 1.455) 7.867 20.942 ( 1.031 3.915 -2.297) 4.655 22.139 ( -0.542 -7.623 6.614) 10.107 22.412 ( 1.629 -6.408 -2.812) 7.185 23.250 ( -3.275 6.830 3.682) 8.422 23.423 ( 2.125 3.868 -3.880) 5.876 27.093 ( 1.426 -12.800 -0.023) 12.879 27.105 ( -1.998 -14.518 1.072) 14.694 29.239 ( 2.505 16.249 0.919) 16.466 29.532 ( -1.134 8.910 -5.618) 10.594 30.558 ( 8.588 -12.905 10.633) 18.797 30.768 ( -0.007 -3.089 3.894) 4.970 30.787 ( -0.513 -3.416 3.325) 4.795 31.277 ( 2.104 -4.130 -1.783) 4.966 31.458 ( -3.102 -2.547 1.347) 4.234 31.938 ( 1.169 7.246 -1.208) 7.438 32.047 ( 0.534 10.286 -4.370) 11.189 32.501 ( 4.259 -7.113 -11.251) 13.975 32.847 ( 3.434 -7.708 -3.544) 9.152 33.184 ( 4.825 2.152 -30.812) 31.262 33.584 ( -5.476 2.406 8.460) 10.361 33.889 ( 9.501 3.155 -7.556) 12.543 35.380 ( -0.619 -1.650 2.393) 2.971 35.487 ( 0.453 -0.286 -1.269) 1.378 35.739 ( -6.109 -2.104 6.047) 8.849 35.931 ( 3.703 -3.066 -4.026) 6.271 36.246 ( 0.074 -0.585 -0.540) 0.800 36.298 ( -5.801 -3.623 0.331) 6.847 37.398 ( -5.389 4.657 34.512) 35.240 38.810 ( -3.170 11.989 -9.819) 15.818 ======================= Grid point 162 (81/114) ======================= q-point: (-0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -9.766 -2.931 1.087) 10.254 1.870 ( -2.066 -6.842 -6.678) 9.781 2.126 ( -5.192 -4.787 -10.954) 13.034 2.304 ( 6.274 1.834 -13.780) 15.251 2.732 ( -3.670 -0.177 2.204) 4.285 2.841 ( -1.520 1.483 0.379) 2.158 2.986 ( 7.717 -9.944 1.458) 12.672 3.181 ( -1.403 -15.464 -4.373) 16.131 3.333 ( 9.440 -4.822 4.508) 11.519 3.470 ( 0.792 2.366 0.399) 2.526 3.582 ( -6.711 -7.400 -5.087) 11.211 3.595 ( 7.682 -3.677 1.915) 8.729 3.816 ( 5.566 0.947 2.952) 6.371 3.913 ( -2.148 -2.273 -3.627) 4.789 4.139 ( 2.602 1.688 6.859) 7.528 4.419 ( -8.190 0.829 -2.574) 8.624 4.517 ( -4.188 -2.589 4.097) 6.405 4.635 ( -0.194 1.244 -1.969) 2.337 4.816 ( 4.471 1.896 5.194) 7.111 5.066 ( -1.018 -1.609 -1.772) 2.601 5.194 ( 2.016 4.927 1.373) 5.498 5.257 ( -1.873 -2.932 0.931) 3.601 5.568 ( -3.381 7.821 -0.405) 8.530 5.756 ( 2.255 -3.535 -3.282) 5.325 5.821 ( -0.105 4.855 -0.349) 4.868 5.947 ( -0.452 5.351 3.344) 6.326 6.184 ( -3.229 1.984 -2.186) 4.376 6.277 ( 3.522 -0.373 -0.417) 3.566 6.510 ( -1.033 4.856 7.579) 9.061 6.659 ( 0.585 1.582 0.044) 1.688 7.773 ( 1.575 0.522 0.145) 1.666 8.024 ( -6.113 1.318 -5.728) 8.481 8.149 ( 2.968 3.016 1.381) 4.451 8.262 ( 3.447 -1.314 -1.665) 4.047 8.960 ( -1.736 0.492 2.599) 3.164 9.033 ( 1.452 4.523 0.947) 4.844 9.290 ( -3.992 -0.425 -2.374) 4.664 9.344 ( -1.723 1.027 -7.193) 7.468 9.507 ( 3.591 -1.285 7.038) 8.005 9.614 ( -1.624 2.461 1.319) 3.231 9.856 ( -4.691 -3.630 -5.193) 7.884 9.932 ( 6.311 4.442 -3.347) 8.413 10.146 ( 2.207 -5.916 4.566) 7.792 10.361 ( -1.608 -1.875 -0.856) 2.615 10.538 ( -4.899 7.864 1.840) 9.446 10.779 ( 0.325 8.868 -7.946) 11.912 11.062 ( -3.318 2.276 4.256) 5.857 11.228 ( -2.799 0.555 -0.489) 2.895 11.354 ( -3.508 -0.389 -3.318) 4.844 11.519 ( 2.251 3.289 -6.295) 7.451 11.853 ( 4.474 -2.537 3.419) 6.176 11.982 ( -5.286 -3.007 -4.530) 7.583 12.151 ( -0.159 2.333 4.889) 5.419 12.294 ( 5.904 7.598 0.386) 9.630 12.420 ( 1.553 4.132 0.928) 4.511 12.483 ( 0.417 7.538 0.094) 7.550 12.789 ( 2.472 3.439 2.035) 4.699 12.845 ( -0.026 -2.621 1.575) 3.058 13.268 ( -2.318 -0.018 2.352) 3.302 13.462 ( 0.512 2.786 -3.439) 4.456 13.687 ( 7.033 -5.962 8.226) 12.356 13.879 ( -6.366 -7.673 -1.778) 10.128 14.400 ( 7.898 0.697 2.018) 8.181 14.526 ( -2.552 4.699 -4.677) 7.104 15.035 ( -0.282 -8.881 5.078) 10.235 15.164 ( -1.895 -5.821 -1.064) 6.214 15.393 ( 0.966 -10.934 5.351) 12.212 15.507 ( 6.979 -10.275 6.463) 14.002 15.847 ( -0.749 -6.813 -3.631) 7.756 16.223 ( -4.494 -0.465 -9.324) 10.361 16.548 ( -1.797 4.487 3.015) 5.697 16.585 ( 6.868 3.354 3.275) 8.315 17.030 ( 0.706 -3.397 1.122) 3.646 17.133 ( 0.332 -5.504 -1.279) 5.660 17.394 ( 0.780 -1.880 1.574) 2.573 17.540 ( -2.896 -1.515 -2.034) 3.850 19.913 ( -3.480 -2.425 -4.782) 6.392 19.943 ( 3.458 -8.036 -5.861) 10.530 20.707 ( -2.420 9.356 2.815) 10.066 20.836 ( 1.787 7.164 -2.808) 7.899 22.348 ( -0.646 -11.217 6.166) 12.817 22.550 ( 1.304 -9.120 -3.069) 9.711 23.096 ( -4.242 8.871 4.680) 10.890 23.316 ( 2.338 7.332 -4.377) 8.853 27.409 ( -4.917 -21.056 1.599) 21.682 27.441 ( 6.508 -21.178 0.649) 22.165 28.938 ( 3.609 20.786 3.453) 21.377 29.236 ( -4.313 16.353 -9.299) 19.300 30.840 ( 1.467 -5.213 4.957) 7.342 30.891 ( 1.707 -5.838 3.613) 7.075 30.966 ( 4.548 -13.941 10.148) 17.833 31.363 ( 1.515 -3.352 -0.936) 3.796 31.489 ( -1.712 -1.864 1.072) 2.749 31.793 ( -0.176 8.396 -3.073) 8.942 31.865 ( 2.989 7.873 0.241) 8.424 32.505 ( 2.606 -0.246 -25.969) 26.100 32.977 ( 1.896 -6.408 -5.715) 8.792 33.088 ( -2.744 -6.211 -9.552) 11.719 33.535 ( -4.202 3.864 7.981) 9.812 33.837 ( 7.078 5.676 -5.434) 10.575 35.423 ( -0.570 -2.090 2.256) 3.128 35.498 ( -0.083 -1.374 -0.878) 1.633 35.774 ( -6.791 -3.150 6.994) 10.245 35.966 ( 0.502 -0.999 -2.152) 2.425 36.267 ( 0.009 -1.403 1.196) 1.843 36.388 ( 2.069 -8.107 -3.053) 8.906 37.438 ( -2.912 6.942 29.667) 30.607 38.450 ( -2.044 16.938 -14.227) 22.215 ======================= Grid point 163 (82/114) ======================= q-point: (-0.25 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -3.130 -15.804 1.562) 16.187 1.970 ( -5.874 -11.618 -5.370) 14.082 2.206 ( -0.641 -13.061 -9.225) 16.003 2.314 ( 6.590 -3.448 -6.576) 9.928 2.681 ( -7.570 -1.603 2.352) 8.088 2.759 ( 5.919 6.321 4.076) 9.571 3.183 ( -2.311 -4.856 1.735) 5.650 3.344 ( -3.766 -0.257 0.295) 3.786 3.400 ( 8.644 -0.281 -1.022) 8.709 3.545 ( -0.234 3.871 -1.427) 4.132 3.594 ( 4.482 -4.062 2.829) 6.678 3.615 ( -8.090 -0.384 -6.465) 10.364 3.808 ( 0.972 4.730 0.729) 4.884 3.954 ( 5.401 -3.526 -6.041) 8.837 4.175 ( 4.790 1.453 8.319) 9.709 4.283 ( -9.066 2.038 -4.323) 10.249 4.517 ( -4.705 -0.919 4.022) 6.258 4.675 ( 5.129 -1.377 -2.564) 5.897 4.851 ( -2.274 1.732 3.749) 4.715 5.051 ( 8.179 3.694 -1.517) 9.102 5.207 ( 3.618 -1.262 2.243) 4.440 5.260 ( -1.877 -0.746 -2.506) 3.218 5.481 ( 1.057 -0.976 4.940) 5.145 5.613 ( -1.740 6.697 -2.946) 7.520 5.874 ( -0.275 0.382 3.044) 3.080 5.957 ( -2.677 -4.865 4.702) 7.276 6.060 ( -3.827 4.818 -3.829) 7.247 6.284 ( 0.711 -0.730 -6.925) 7.000 6.469 ( -1.482 4.432 7.513) 8.848 6.621 ( 1.436 3.148 -0.847) 3.562 7.808 ( 2.282 -0.627 2.143) 3.193 7.931 ( -4.577 -0.235 -8.114) 9.319 8.170 ( 1.331 -2.165 5.700) 6.241 8.331 ( 4.279 -2.388 -0.724) 4.953 8.939 ( -4.944 -1.281 -1.410) 5.299 9.000 ( 4.929 1.268 0.366) 5.103 9.218 ( -4.625 1.979 -0.798) 5.094 9.326 ( 3.279 -0.216 -3.382) 4.716 9.540 ( 1.334 3.189 0.343) 3.474 9.547 ( 0.480 2.852 1.442) 3.232 9.849 ( -5.489 -0.868 -2.442) 6.070 9.867 ( -0.696 1.700 -1.279) 2.239 10.312 ( 5.943 -1.303 6.273) 8.739 10.358 ( -6.134 -1.356 -0.557) 6.306 10.394 ( -2.011 5.393 1.875) 6.054 10.595 ( 2.200 6.388 -5.419) 8.661 11.021 ( -2.721 1.986 4.865) 5.917 11.196 ( -1.159 -2.971 -3.391) 4.655 11.373 ( -1.244 -2.408 0.924) 2.864 11.465 ( 2.256 2.222 -2.663) 4.137 11.853 ( -6.849 6.033 -0.598) 9.147 11.931 ( 4.338 2.460 0.243) 4.993 12.244 ( -2.747 -6.392 -0.575) 6.981 12.291 ( 6.005 -5.645 2.035) 8.489 12.322 ( -0.900 3.615 0.004) 3.725 12.414 ( 3.370 3.626 -1.724) 5.242 12.727 ( 0.714 6.572 2.931) 7.231 12.808 ( -2.169 5.025 -1.838) 5.774 13.266 ( -2.094 -0.860 3.596) 4.249 13.452 ( 2.151 -1.794 -3.975) 4.862 13.866 ( -2.323 0.259 2.609) 3.503 13.923 ( 4.010 -3.525 3.271) 6.262 14.360 ( -5.026 4.367 -1.108) 6.750 14.497 ( 4.988 -4.665 -2.927) 7.430 15.173 ( -4.028 -5.443 3.295) 7.531 15.262 ( 2.333 -5.757 0.906) 6.278 15.510 ( -2.927 -0.233 0.347) 2.957 15.586 ( 4.280 6.741 -0.185) 7.987 15.998 ( 2.221 -9.167 6.089) 11.227 16.193 ( -4.828 -4.521 -6.880) 9.543 16.479 ( -4.631 2.612 0.766) 5.372 16.643 ( 11.051 1.198 0.025) 11.115 17.108 ( 0.416 -4.389 1.819) 4.769 17.218 ( 1.199 -3.666 -4.523) 5.944 17.421 ( -0.146 -0.366 4.884) 4.900 17.531 ( -2.670 -0.840 -2.419) 3.699 19.973 ( -0.873 -7.898 -1.124) 8.026 20.101 ( 4.381 -8.839 -6.299) 11.704 20.549 ( -1.776 7.724 4.007) 8.881 20.693 ( 1.193 8.059 -3.268) 8.778 22.564 ( -2.332 -10.329 4.487) 11.501 22.699 ( 1.308 -6.339 -1.611) 6.670 22.954 ( -2.368 5.571 4.170) 7.351 23.153 ( 2.274 9.924 -4.451) 11.111 27.764 ( -6.973 -22.888 0.631) 23.935 27.928 ( 13.584 -22.604 1.957) 26.444 28.604 ( 3.381 22.308 5.788) 23.294 28.812 ( -6.724 18.933 -11.604) 23.201 30.974 ( -0.840 -7.089 3.749) 8.063 31.033 ( 1.689 -6.062 2.495) 6.769 31.209 ( -1.334 -3.603 5.465) 6.680 31.390 ( 2.808 2.321 -0.922) 3.757 31.502 ( -1.110 -1.069 1.470) 2.130 31.639 ( -2.107 3.474 -2.471) 4.755 31.834 ( 5.517 2.603 3.005) 6.800 32.319 ( 2.087 2.931 -25.740) 25.990 33.067 ( -2.434 -6.375 0.382) 6.834 33.204 ( 0.786 -9.222 -5.047) 10.542 33.477 ( -3.025 3.857 7.209) 8.718 33.737 ( 4.353 7.436 -4.046) 9.519 35.464 ( -1.278 -1.639 2.323) 3.117 35.520 ( 0.068 -1.506 -0.847) 1.729 35.814 ( -5.775 -1.864 7.643) 9.759 35.972 ( 0.148 -1.076 -1.536) 1.881 36.306 ( -2.288 -2.414 3.444) 4.788 36.525 ( 2.306 -5.093 -0.948) 5.671 37.472 ( 0.630 2.395 17.845) 18.016 38.062 ( -0.287 15.147 -14.687) 21.101 ======================= Grid point 164 (83/114) ======================= q-point: (-0.12 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -7.320 -9.571 -2.239) 12.256 2.119 ( -1.114 -8.145 -5.304) 9.783 2.339 ( -0.066 0.373 0.529) 0.651 2.403 ( 2.786 -7.094 -1.491) 7.767 2.793 ( 2.188 -3.384 4.911) 6.353 2.863 ( 1.734 -16.481 -1.032) 16.604 3.155 ( -3.707 6.825 -5.186) 9.339 3.199 ( -1.819 14.097 4.405) 14.881 3.335 ( -1.177 2.598 -8.093) 8.581 3.438 ( -3.781 3.456 -2.806) 5.841 3.536 ( 2.910 4.347 4.318) 6.783 3.612 ( 6.592 5.989 -0.740) 8.937 3.736 ( 0.069 2.605 -0.685) 2.694 3.975 ( 1.946 2.812 -3.130) 4.636 4.194 ( 1.060 1.033 -3.217) 3.541 4.252 ( 3.158 0.860 7.903) 8.554 4.579 ( -3.938 -5.098 6.095) 8.868 4.685 ( 4.033 -0.193 -2.769) 4.896 4.842 ( -1.030 -2.863 -1.833) 3.552 5.034 ( 3.622 1.847 -0.070) 4.067 5.208 ( -2.090 0.305 -3.358) 3.967 5.319 ( 8.398 -1.866 0.954) 8.655 5.478 ( -8.058 -0.195 0.366) 8.068 5.665 ( 3.694 -5.241 3.334) 7.227 5.811 ( -5.062 2.508 -0.066) 5.649 5.962 ( -1.573 3.986 3.303) 5.411 6.061 ( -2.663 -6.079 1.084) 6.725 6.261 ( 0.809 -0.852 -5.122) 5.255 6.413 ( -0.439 4.751 5.288) 7.122 6.562 ( 3.119 4.587 -1.568) 5.764 7.809 ( -5.232 -1.472 -3.267) 6.341 7.889 ( -0.383 -0.261 -1.818) 1.876 8.242 ( -5.068 -2.681 -1.519) 5.931 8.422 ( 9.722 -2.106 4.971) 11.120 8.914 ( -4.462 -1.175 -2.873) 5.435 9.070 ( 3.508 -2.133 1.697) 4.442 9.180 ( 0.778 -0.259 2.958) 3.070 9.350 ( 6.901 -0.176 -2.128) 7.224 9.457 ( -1.554 2.193 -0.035) 2.689 9.555 ( 1.544 0.482 -1.964) 2.545 9.801 ( -1.203 3.694 3.294) 5.094 9.857 ( -4.266 -5.690 0.687) 7.145 10.212 ( -4.623 9.181 -6.906) 12.384 10.297 ( 1.632 5.400 1.843) 5.934 10.388 ( -3.116 -4.520 2.062) 5.864 10.601 ( 5.169 -2.168 -0.990) 5.692 11.021 ( -3.684 -0.703 6.069) 7.134 11.283 ( 3.910 -6.789 -2.402) 8.195 11.413 ( -1.190 -3.010 1.400) 3.527 11.460 ( 3.785 0.669 1.428) 4.100 11.665 ( -8.173 5.614 -3.861) 10.640 11.871 ( 6.287 8.404 0.436) 10.504 12.268 ( -2.495 1.866 -1.704) 3.551 12.321 ( -0.408 -3.140 0.971) 3.312 12.404 ( -0.781 -4.267 -3.421) 5.525 12.533 ( 7.049 -9.258 3.655) 12.197 12.610 ( -1.886 4.053 0.303) 4.480 12.669 ( 0.199 7.960 -0.310) 7.968 13.314 ( -1.535 -2.617 5.038) 5.881 13.467 ( 0.940 -0.313 -4.271) 4.384 13.804 ( -1.066 3.568 0.632) 3.777 13.888 ( -0.775 7.844 -3.707) 8.711 14.382 ( -5.206 -8.202 2.635) 10.066 14.590 ( 3.342 -3.211 -2.708) 5.368 15.201 ( -4.216 2.602 3.529) 6.082 15.344 ( -1.516 0.784 -1.537) 2.297 15.448 ( 0.663 1.822 -2.289) 3.000 15.499 ( 5.575 2.889 4.053) 7.473 16.154 ( -3.015 0.390 1.601) 3.436 16.228 ( 0.336 -6.140 1.356) 6.297 16.395 ( -5.984 -0.337 -3.006) 6.705 16.657 ( 9.353 5.799 -2.163) 11.215 17.178 ( -1.819 -1.362 -2.865) 3.657 17.221 ( 1.884 0.779 1.138) 2.335 17.475 ( 0.321 -1.312 2.938) 3.234 17.507 ( -1.827 -0.594 -0.707) 2.047 20.136 ( 1.059 -8.648 0.474) 8.726 20.188 ( 1.068 -0.282 -3.268) 3.449 20.511 ( 1.796 -2.372 1.755) 3.454 20.545 ( -0.564 5.061 -3.289) 6.062 22.659 ( -2.627 6.847 4.127) 8.415 22.742 ( -1.346 -5.199 2.953) 6.129 22.957 ( 1.957 9.766 -2.271) 10.216 22.994 ( 1.649 -7.504 -2.779) 8.170 28.087 ( -4.497 -11.159 0.352) 12.036 28.253 ( 1.030 16.012 -0.548) 16.055 28.317 ( -2.683 8.702 0.949) 9.156 28.517 ( 10.783 -14.385 -2.629) 18.169 31.057 ( -4.214 3.767 2.451) 6.161 31.107 ( -1.591 -3.902 2.810) 5.065 31.227 ( -1.188 6.694 -0.775) 6.842 31.315 ( 0.500 -5.344 -3.156) 6.227 31.521 ( -2.579 -2.650 0.065) 3.699 31.646 ( 0.289 -0.214 3.081) 3.102 31.766 ( -3.890 5.565 -4.223) 7.996 32.284 ( 16.895 -3.292 -12.106) 21.044 33.169 ( -1.311 -5.101 3.676) 6.423 33.289 ( 0.586 -0.804 -4.896) 4.996 33.473 ( 0.043 -2.161 4.843) 5.303 33.603 ( 1.090 6.588 -4.133) 7.853 35.480 ( -1.995 -0.236 1.797) 2.696 35.537 ( 0.467 -0.363 -0.454) 0.746 35.832 ( -4.274 0.517 8.095) 9.168 35.992 ( 0.619 -1.606 -1.757) 2.459 36.348 ( -5.166 -2.453 5.055) 7.632 36.577 ( -1.486 -0.181 3.481) 3.789 37.493 ( -3.609 6.081 2.133) 7.386 37.856 ( 7.907 -1.992 -7.649) 11.181 ======================= Grid point 169 (84/114) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -0.859 0.000 -4.289) 4.374 1.928 ( -32.529 0.000 -6.316) 33.136 2.192 ( 5.168 -0.000 -4.496) 6.850 2.195 ( 10.939 -0.000 -18.034) 21.092 2.732 ( 12.647 -0.000 4.248) 13.341 2.736 ( -10.579 0.000 -4.051) 11.328 2.776 ( -8.636 0.000 -0.612) 8.657 2.914 ( 3.929 -0.000 -3.411) 5.203 2.979 ( -4.780 0.000 -0.148) 4.782 3.208 ( 13.508 -0.000 -7.996) 15.697 3.616 ( 0.128 -0.000 0.444) 0.462 3.667 ( 14.066 -0.000 6.193) 15.369 3.785 ( -7.026 0.000 1.337) 7.152 3.913 ( 3.017 -0.000 5.199) 6.011 4.211 ( 4.325 -0.000 7.141) 8.349 4.421 ( -1.719 0.000 7.997) 8.180 4.433 ( -3.386 0.000 -1.143) 3.574 4.720 ( -9.585 0.000 -3.892) 10.345 4.957 ( 4.684 -0.000 0.314) 4.695 5.004 ( -1.155 0.000 -1.759) 2.104 5.136 ( 0.499 -0.000 7.754) 7.770 5.313 ( -1.313 0.000 -2.406) 2.741 5.528 ( 7.480 -0.000 -0.114) 7.481 5.698 ( -9.359 0.000 -5.084) 10.651 6.006 ( -4.974 0.000 2.661) 5.641 6.021 ( 7.820 -0.000 -1.150) 7.904 6.274 ( -1.950 0.000 4.982) 5.350 6.310 ( 5.236 -0.000 1.765) 5.526 6.655 ( -2.178 0.000 1.760) 2.800 6.679 ( -0.928 0.000 2.250) 2.434 7.797 ( -1.213 0.000 -2.035) 2.369 7.990 ( -8.547 0.000 -8.652) 12.162 8.263 ( 5.975 -0.000 0.991) 6.057 8.293 ( -0.980 0.000 -2.452) 2.640 9.067 ( 0.628 -0.000 4.327) 4.373 9.145 ( 10.370 -0.000 6.836) 12.421 9.299 ( 1.515 -0.000 -1.622) 2.220 9.322 ( -3.515 0.000 -3.789) 5.169 9.460 ( -1.754 0.000 3.297) 3.734 9.616 ( -0.210 0.000 1.752) 1.765 9.796 ( -5.646 0.000 -8.039) 9.823 9.954 ( -5.087 0.000 -1.415) 5.280 10.009 ( 4.257 -0.000 -2.955) 5.182 10.284 ( -1.140 0.000 -3.974) 4.134 10.697 ( -6.868 0.000 0.547) 6.890 10.972 ( 0.575 -0.000 -9.022) 9.040 11.168 ( 3.922 -0.000 3.270) 5.106 11.183 ( -4.547 0.000 8.663) 9.784 11.405 ( -1.567 0.000 -3.132) 3.502 11.651 ( -4.592 0.000 -9.244) 10.321 11.782 ( 3.662 -0.000 1.778) 4.071 11.851 ( -5.779 0.000 -1.577) 5.990 12.422 ( 4.780 -0.000 7.540) 8.927 12.456 ( 2.694 -0.000 2.747) 3.848 12.582 ( 2.158 -0.000 -0.613) 2.243 12.596 ( 4.990 -0.000 -0.396) 5.006 12.824 ( 0.264 -0.000 -2.160) 2.176 12.830 ( 6.968 -0.000 -0.955) 7.033 13.329 ( -1.097 0.000 4.389) 4.524 13.474 ( -3.327 0.000 -2.075) 3.921 13.551 ( 1.687 -0.000 4.094) 4.428 13.663 ( -1.972 0.000 -2.442) 3.139 14.452 ( 2.318 -0.000 -0.269) 2.333 14.467 ( -0.851 0.000 -1.055) 1.356 14.776 ( 11.585 -0.000 13.321) 17.654 15.010 ( 0.363 -0.000 -0.228) 0.428 15.069 ( 3.328 -0.000 11.183) 11.668 15.231 ( 2.530 -0.000 -1.391) 2.887 15.648 ( 1.118 -0.000 -3.940) 4.096 16.226 ( -6.633 0.000 -15.447) 16.811 16.734 ( 0.950 -0.000 3.189) 3.328 16.776 ( 1.788 -0.000 1.546) 2.363 16.942 ( -0.817 0.000 3.524) 3.618 17.009 ( 2.091 -0.000 1.043) 2.337 17.276 ( 2.799 -0.000 3.573) 4.539 17.498 ( -5.200 0.000 -4.045) 6.588 19.790 ( 4.437 -0.000 -4.095) 6.038 19.912 ( -7.711 0.000 -7.861) 11.011 20.933 ( -2.338 0.000 0.202) 2.346 20.966 ( 1.171 -0.000 -1.002) 1.541 22.104 ( -0.176 0.000 7.010) 7.013 22.341 ( 0.640 -0.000 -3.407) 3.467 23.311 ( -2.893 0.000 2.470) 3.804 23.453 ( 2.222 -0.000 -3.553) 4.191 26.969 ( -0.091 0.000 0.152) 0.177 26.973 ( 0.077 -0.000 0.010) 0.077 29.432 ( 2.757 -0.000 1.216) 3.014 29.568 ( -3.239 0.000 -4.476) 5.525 30.568 ( 6.943 -0.000 16.956) 18.322 30.770 ( -0.040 0.000 3.315) 3.315 30.775 ( 2.728 -0.000 2.690) 3.831 31.249 ( 5.240 -0.000 -3.143) 6.111 31.434 ( -0.598 0.000 2.951) 3.011 32.002 ( 0.911 -0.000 -4.176) 4.274 32.132 ( -2.115 0.000 -3.297) 3.917 32.355 ( 2.168 -0.000 -18.549) 18.675 32.787 ( 2.586 -0.000 -0.976) 2.764 33.039 ( 0.471 -0.000 -32.718) 32.721 33.608 ( -5.182 0.000 7.727) 9.304 33.947 ( 9.535 -0.000 -8.306) 12.646 35.375 ( -0.573 0.000 2.854) 2.911 35.481 ( 0.382 -0.000 -1.747) 1.788 35.702 ( -6.311 0.000 5.328) 8.260 35.913 ( 5.332 -0.000 -4.064) 6.704 36.224 ( -5.748 0.000 1.698) 5.994 36.251 ( 2.864 -0.000 -0.255) 2.876 37.638 ( -0.658 0.000 39.892) 39.898 38.810 ( -7.461 0.000 -13.401) 15.338 ======================= Grid point 170 (85/114) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -21.739 2.773 -3.927) 22.264 1.686 ( -16.514 -3.831 1.368) 17.007 2.090 ( 9.360 5.744 -11.008) 15.550 2.311 ( 8.284 0.533 -14.672) 16.857 2.607 ( -15.272 -5.485 1.981) 16.348 2.675 ( -8.183 -5.670 6.078) 11.664 2.854 ( 1.628 -5.599 -3.832) 6.977 3.075 ( 1.914 -0.442 -4.966) 5.340 3.174 ( 9.207 -19.361 1.318) 21.479 3.343 ( 8.312 -10.502 -4.913) 14.266 3.566 ( 0.160 5.356 2.145) 5.771 3.746 ( 6.020 -1.411 -4.460) 7.624 3.814 ( 2.121 2.595 7.592) 8.299 3.912 ( 2.027 2.804 2.612) 4.335 4.224 ( -3.920 1.594 4.048) 5.856 4.354 ( -7.794 0.359 -3.135) 8.409 4.497 ( 2.784 -0.498 9.410) 9.826 4.652 ( 2.259 1.217 -3.323) 4.198 4.926 ( 2.299 3.557 2.884) 5.124 5.009 ( -0.689 -0.958 -3.184) 3.395 5.228 ( 2.652 -2.482 5.491) 6.583 5.290 ( 1.799 1.341 -0.034) 2.244 5.556 ( -11.411 0.084 -2.896) 11.773 5.679 ( 6.956 -5.893 0.263) 9.121 5.918 ( -4.578 5.981 -0.654) 7.560 6.029 ( 2.829 3.352 -3.026) 5.328 6.227 ( -3.273 5.752 5.044) 8.321 6.350 ( 3.769 1.151 0.304) 3.952 6.620 ( -0.716 3.679 4.552) 5.897 6.675 ( -0.930 0.250 1.150) 1.500 7.798 ( 2.349 -0.082 2.363) 3.333 7.898 ( -7.233 -1.377 -8.433) 11.195 8.224 ( -0.947 3.732 -0.672) 3.909 8.310 ( 5.291 0.635 -1.695) 5.592 9.049 ( -0.272 4.907 5.462) 7.348 9.167 ( 4.896 6.573 2.555) 8.585 9.235 ( -4.134 0.857 -4.178) 5.940 9.275 ( -3.142 -1.389 -8.214) 8.904 9.574 ( 7.635 -2.385 12.313) 14.683 9.631 ( -2.163 -0.023 1.493) 2.628 9.745 ( -2.756 -2.606 -3.860) 5.411 9.892 ( -7.085 -3.671 -10.518) 13.203 10.119 ( 7.902 -3.215 7.575) 11.409 10.266 ( -4.293 -3.053 -6.366) 8.263 10.625 ( -4.953 4.119 3.109) 7.153 10.870 ( 0.290 5.858 -7.700) 9.680 11.137 ( -0.446 4.391 7.363) 8.585 11.258 ( 0.917 -0.258 6.084) 6.158 11.323 ( -2.898 3.584 -5.303) 7.026 11.542 ( 0.564 2.392 -8.250) 8.609 11.833 ( -5.061 -3.043 -0.427) 5.921 11.853 ( 2.429 -3.457 0.681) 4.279 12.299 ( -3.248 10.752 3.494) 11.763 12.481 ( 3.287 7.989 -2.423) 8.972 12.527 ( -2.149 4.287 -0.162) 4.798 12.588 ( 4.524 2.349 1.921) 5.447 12.831 ( 1.030 0.314 -1.436) 1.794 12.848 ( 3.851 -0.156 -0.692) 3.916 13.299 ( -1.129 3.140 5.655) 6.566 13.489 ( 0.639 0.336 -3.387) 3.464 13.649 ( 2.097 -6.532 3.445) 7.677 13.675 ( -3.099 -5.859 0.055) 6.629 14.475 ( 3.522 0.276 1.050) 3.685 14.522 ( 0.811 -2.690 -3.714) 4.657 14.944 ( -5.643 -3.606 2.549) 7.165 15.006 ( 5.182 -7.094 3.927) 9.623 15.274 ( 1.426 -7.124 2.578) 7.709 15.361 ( 5.180 -13.576 3.133) 14.864 15.735 ( 6.024 -4.923 5.340) 9.436 16.100 ( -4.962 -2.899 -17.163) 18.099 16.672 ( -0.655 7.161 2.312) 7.554 16.721 ( 2.348 5.776 1.277) 6.365 16.983 ( -0.652 -2.574 2.128) 3.402 17.061 ( 2.115 -3.027 -0.618) 3.744 17.367 ( 1.822 -3.495 3.972) 5.595 17.453 ( -5.326 -2.520 -3.966) 7.103 19.821 ( -4.916 -1.013 -6.060) 7.869 19.848 ( 6.151 -3.544 -3.059) 7.730 20.847 ( -2.371 6.715 1.552) 7.289 20.942 ( 1.900 4.065 -1.708) 4.801 22.213 ( -0.087 -7.223 6.969) 10.037 22.388 ( 0.414 -6.822 -3.880) 7.859 23.232 ( -3.925 6.828 3.401) 8.579 23.417 ( 2.920 4.060 -3.700) 6.221 27.082 ( -1.672 -12.187 0.475) 12.310 27.140 ( 4.422 -17.073 0.160) 17.637 29.311 ( 2.577 14.839 3.227) 15.403 29.409 ( -5.077 11.156 -6.199) 13.736 30.793 ( -1.373 -4.965 4.329) 6.729 30.842 ( 3.444 -6.404 11.957) 13.994 30.843 ( 4.577 -5.594 4.740) 8.643 31.302 ( 4.661 -2.802 -4.074) 6.796 31.482 ( 2.394 -1.801 5.059) 5.879 31.900 ( -0.758 6.610 -11.776) 13.525 32.004 ( -0.934 6.966 -0.053) 7.028 32.305 ( -1.808 -4.629 -28.088) 28.525 32.852 ( 0.548 -5.209 -3.452) 6.273 32.901 ( -4.395 -4.544 -12.880) 14.348 33.595 ( -4.024 1.914 6.722) 8.065 33.941 ( 7.960 3.304 -7.287) 11.287 35.399 ( -0.967 -1.389 2.598) 3.100 35.475 ( 0.011 -0.401 -1.523) 1.575 35.706 ( -6.232 -2.441 5.845) 8.885 35.947 ( 3.633 -1.036 -2.984) 4.814 36.249 ( -0.390 -5.130 -0.246) 5.151 36.283 ( 4.248 -0.733 0.249) 4.318 37.784 ( 1.256 9.724 38.936) 40.151 38.574 ( -6.252 9.659 -16.930) 20.470 ======================= Grid point 171 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -7.376 -12.535 2.471) 14.753 1.676 ( -17.996 -8.931 2.835) 20.289 2.034 ( 9.005 -0.013 -9.617) 13.175 2.270 ( 5.333 -1.619 -7.224) 9.124 2.566 ( -17.331 -3.878 4.353) 18.285 2.813 ( -7.178 -9.351 0.166) 11.790 3.031 ( 1.938 0.746 -3.670) 4.217 3.115 ( -6.596 -20.887 -1.584) 21.961 3.416 ( -0.186 1.984 -1.475) 2.479 3.492 ( 4.482 0.221 -5.780) 7.317 3.589 ( 9.154 -7.952 2.967) 12.483 3.722 ( 1.753 8.020 0.978) 8.268 3.836 ( 0.915 -8.026 -5.118) 9.563 3.898 ( 1.683 3.178 1.043) 3.744 4.185 ( -2.250 -0.206 0.216) 2.270 4.313 ( -2.512 1.611 4.262) 5.202 4.546 ( 3.570 2.528 6.888) 8.160 4.675 ( 5.663 -1.767 -1.374) 6.089 4.879 ( -3.339 3.060 -1.503) 4.772 5.076 ( 6.741 -4.370 0.395) 8.043 5.240 ( 0.852 2.958 -0.451) 3.111 5.301 ( 6.978 0.408 1.699) 7.193 5.522 ( -4.524 -1.647 4.419) 6.535 5.723 ( -0.610 8.001 -4.475) 9.188 5.839 ( -0.989 -1.752 3.293) 3.859 5.924 ( -4.424 1.144 -5.635) 7.254 6.096 ( -5.070 7.436 4.936) 10.265 6.325 ( 4.153 3.199 -2.997) 6.039 6.566 ( -2.564 3.910 4.067) 6.197 6.676 ( 2.187 1.429 1.072) 2.824 7.808 ( -5.115 0.413 -4.190) 6.625 7.870 ( 3.363 -0.647 2.781) 4.412 8.164 ( -1.716 0.542 1.080) 2.098 8.322 ( 3.092 -0.960 -5.135) 6.071 8.968 ( -0.259 4.700 4.046) 6.207 9.089 ( 4.058 4.873 -0.461) 6.358 9.184 ( -3.667 -0.906 -1.318) 4.000 9.311 ( 2.361 -3.244 -1.799) 4.397 9.603 ( -2.960 1.394 1.291) 3.518 9.635 ( 3.148 3.781 2.180) 5.382 9.767 ( -3.000 1.474 1.605) 3.708 9.865 ( -1.063 -3.464 -5.798) 6.837 10.232 ( -6.221 -2.511 -1.417) 6.856 10.298 ( 0.564 -5.994 2.477) 6.510 10.517 ( -2.603 5.936 3.921) 7.575 10.710 ( 1.159 8.192 -4.764) 9.547 11.103 ( -0.082 5.221 6.425) 8.279 11.173 ( -0.239 2.297 0.341) 2.335 11.339 ( 0.534 -1.764 1.559) 2.414 11.492 ( 3.121 1.058 -5.281) 6.225 11.829 ( -8.594 -0.782 -3.119) 9.176 11.936 ( 1.176 -3.264 2.649) 4.365 12.155 ( -3.814 0.648 1.859) 4.292 12.345 ( 2.236 5.936 -3.244) 7.125 12.413 ( -0.868 6.067 0.734) 6.172 12.539 ( 5.051 6.233 -1.842) 8.231 12.798 ( -2.495 1.556 -1.358) 3.239 12.891 ( 4.633 1.741 1.839) 5.280 13.271 ( -2.325 1.680 4.890) 5.669 13.449 ( 3.021 1.175 -3.888) 5.061 13.737 ( -8.796 -6.468 -2.685) 11.244 13.860 ( 4.079 -8.763 5.161) 10.958 14.413 ( -5.530 7.464 -5.693) 10.895 14.509 ( 5.005 -0.178 0.466) 5.030 15.043 ( -4.321 -7.590 2.380) 9.052 15.177 ( 3.864 -7.481 1.027) 8.482 15.441 ( 0.293 -4.942 3.583) 6.111 15.606 ( 2.718 -9.880 -4.649) 11.253 15.893 ( -0.540 -6.350 4.811) 7.985 16.078 ( 1.922 -0.847 -5.546) 5.931 16.545 ( -1.790 6.582 1.009) 6.895 16.723 ( 9.867 -1.875 -1.681) 10.183 17.034 ( -1.177 -3.565 1.037) 3.894 17.140 ( 3.206 -4.353 -2.506) 5.959 17.416 ( -3.325 -1.864 1.360) 4.047 17.471 ( -1.359 -2.341 -0.037) 2.707 19.832 ( -1.343 -5.773 -1.881) 6.218 19.968 ( 6.663 -6.375 -4.111) 10.096 20.701 ( -2.566 8.433 3.038) 9.324 20.834 ( 1.815 7.902 -2.505) 8.486 22.396 ( -2.138 -9.295 5.148) 10.838 22.530 ( 1.290 -10.194 -3.773) 10.946 23.093 ( -3.093 7.711 5.700) 10.076 23.312 ( 3.364 7.896 -4.055) 9.492 27.346 ( -3.670 -18.734 0.391) 19.095 27.620 ( 15.664 -25.826 0.286) 30.206 29.024 ( -2.844 18.781 -0.754) 19.010 29.058 ( -1.818 19.753 -2.202) 19.959 30.872 ( -1.305 -5.047 1.238) 5.358 30.947 ( 2.506 -5.490 0.328) 6.043 31.111 ( -3.740 -8.657 7.385) 11.978 31.380 ( 2.467 -4.462 -0.397) 5.114 31.537 ( 2.646 2.306 3.440) 4.914 31.698 ( -1.075 5.232 -10.998) 12.226 31.915 ( -1.306 4.218 2.599) 5.124 32.175 ( -1.199 -2.577 -25.051) 25.211 32.907 ( -5.000 -7.788 -1.565) 9.386 33.023 ( 1.139 -9.701 -1.045) 9.823 33.555 ( -3.128 3.349 5.681) 7.299 33.871 ( 5.640 6.158 -6.151) 10.371 35.432 ( -1.689 -1.869 2.104) 3.282 35.485 ( 0.089 -1.581 -1.081) 1.917 35.754 ( -6.028 -3.835 7.085) 10.062 35.962 ( 1.559 -0.133 -1.189) 1.966 36.306 ( 3.069 0.176 2.024) 3.680 36.407 ( 4.256 -8.674 -3.390) 10.239 37.753 ( -1.266 13.975 30.091) 33.202 38.225 ( -2.415 13.665 -17.737) 22.521 ======================= Grid point 172 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -15.697 -11.358 1.564) 19.438 1.833 ( -3.993 -17.317 1.525) 17.837 2.138 ( 5.043 -8.907 -8.577) 13.354 2.379 ( 6.768 -5.426 3.136) 9.224 2.623 ( -3.851 -10.032 4.711) 11.733 2.839 ( -1.326 -0.840 0.055) 1.571 3.075 ( -2.740 -5.996 -5.281) 8.447 3.281 ( -11.403 -1.091 -7.095) 13.474 3.325 ( -3.486 2.046 -3.615) 5.423 3.477 ( 3.288 -0.085 0.402) 3.314 3.586 ( 1.955 3.720 0.018) 4.202 3.730 ( -1.335 -0.746 -0.081) 1.531 3.838 ( 4.793 6.605 3.243) 8.781 3.952 ( 2.050 -4.683 -6.127) 7.980 4.184 ( 2.906 0.889 -1.623) 3.445 4.297 ( -6.414 -1.151 8.867) 11.004 4.600 ( 6.690 1.732 9.056) 11.391 4.731 ( 6.782 1.792 -3.591) 7.880 4.769 ( -4.844 0.843 -4.898) 6.940 5.140 ( 6.552 2.693 -3.585) 7.939 5.190 ( -1.083 1.642 -1.194) 2.301 5.409 ( 12.894 1.617 4.404) 13.721 5.517 ( -3.956 8.104 -1.599) 9.159 5.594 ( 2.175 -5.397 2.945) 6.522 5.778 ( -7.346 -0.250 -3.195) 8.014 5.941 ( -8.292 -2.548 0.385) 8.683 6.008 ( -1.468 0.561 7.374) 7.540 6.290 ( 5.245 2.300 -3.354) 6.637 6.500 ( -2.246 3.251 3.079) 5.010 6.654 ( 3.780 3.410 -1.316) 5.258 7.737 ( -4.472 0.386 -3.039) 5.420 7.885 ( -0.613 1.260 1.828) 2.303 8.162 ( -4.361 -0.610 -2.612) 5.120 8.396 ( 5.644 -7.038 -2.629) 9.397 8.954 ( 5.315 2.839 6.594) 8.932 9.070 ( 1.496 -0.199 -0.893) 1.753 9.185 ( -0.721 -0.954 2.622) 2.882 9.366 ( 2.347 -0.972 0.056) 2.541 9.526 ( -0.160 4.892 -1.701) 5.181 9.598 ( 1.347 3.863 -0.278) 4.100 9.698 ( -7.210 -3.574 -0.602) 8.070 9.905 ( 1.866 0.496 2.357) 3.047 10.198 ( -6.041 -0.336 -3.640) 7.061 10.316 ( -4.815 3.344 2.153) 6.245 10.465 ( 1.478 2.804 1.821) 3.656 10.582 ( 0.792 2.015 -4.263) 4.782 11.046 ( -2.384 2.531 5.553) 6.552 11.220 ( 4.309 -2.796 2.263) 5.613 11.373 ( 0.338 -1.663 1.200) 2.078 11.489 ( 3.351 -0.235 -1.700) 3.765 11.678 ( -10.059 5.251 -1.810) 11.490 11.989 ( -1.667 0.306 0.023) 1.695 12.190 ( -0.915 -3.280 -3.231) 4.694 12.326 ( 0.319 4.542 0.616) 4.595 12.373 ( 3.331 -9.161 0.727) 9.775 12.461 ( 5.871 4.418 -2.017) 7.619 12.711 ( -1.449 5.287 0.093) 5.482 12.845 ( 2.708 7.914 1.890) 8.576 13.283 ( -2.262 -1.690 5.140) 5.865 13.457 ( 4.134 -0.590 -3.771) 5.627 13.747 ( -8.253 -4.905 -3.345) 10.167 13.967 ( -0.826 4.020 -1.366) 4.325 14.244 ( -7.518 -1.519 -1.277) 7.776 14.572 ( 5.137 -2.255 -0.422) 5.626 15.142 ( -3.923 -6.336 1.730) 7.650 15.359 ( 6.496 -4.299 3.160) 8.406 15.418 ( -2.124 3.606 -2.144) 4.702 15.688 ( 3.870 2.956 0.459) 4.891 16.007 ( -5.808 -6.631 -4.804) 10.039 16.122 ( 0.632 -7.283 6.110) 9.528 16.407 ( -3.991 6.801 -1.063) 7.957 16.828 ( 13.731 2.224 -3.136) 14.259 17.101 ( -0.752 -3.953 -2.764) 4.882 17.224 ( 2.778 -2.995 0.705) 4.145 17.428 ( -3.577 -2.032 -2.008) 4.577 17.497 ( -0.410 -1.320 4.149) 4.373 19.973 ( 0.673 -9.748 1.416) 9.873 20.113 ( 5.652 -6.413 -5.572) 10.204 20.564 ( -1.862 5.914 3.586) 7.163 20.672 ( 0.923 9.349 -3.134) 9.903 22.555 ( -4.748 -8.911 3.668) 10.742 22.703 ( 2.087 -8.650 -2.942) 9.372 22.979 ( -1.276 6.293 5.062) 8.176 23.150 ( 3.241 10.378 -3.705) 11.486 27.682 ( -3.751 -21.669 0.076) 21.991 28.212 ( 20.968 -22.388 -1.186) 30.697 28.591 ( -6.418 19.956 -8.027) 22.446 28.712 ( 0.374 21.473 7.194) 22.649 30.962 ( -3.934 -6.298 0.002) 7.426 31.074 ( 1.708 -5.884 0.125) 6.128 31.193 ( -3.350 -4.229 0.758) 5.448 31.349 ( -4.452 5.392 -6.094) 9.275 31.494 ( 0.680 3.415 0.948) 3.609 31.664 ( 1.531 -0.238 -0.255) 1.570 31.790 ( -7.129 4.308 0.053) 8.329 32.220 ( 10.882 -8.374 -10.730) 17.426 33.028 ( -3.703 -9.077 1.731) 9.955 33.198 ( 2.350 -7.949 -1.015) 8.351 33.499 ( -2.780 2.929 4.722) 6.213 33.741 ( 3.228 8.458 -5.534) 10.610 35.458 ( -1.959 -1.395 1.547) 2.859 35.516 ( 0.200 -1.873 -0.408) 1.927 35.816 ( -5.817 -3.069 7.867) 10.254 35.974 ( 1.461 -0.487 -0.218) 1.555 36.333 ( 0.853 0.282 3.561) 3.672 36.545 ( 1.227 -4.634 -0.969) 4.890 37.653 ( -2.433 10.450 13.725) 17.421 37.906 ( 2.268 8.724 -13.043) 15.854 ======================= Grid point 178 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -31.977 0.000 -4.482) 32.290 1.495 ( -23.093 0.000 4.484) 23.524 2.171 ( 5.360 -0.000 -6.423) 8.365 2.219 ( -20.316 0.000 -0.752) 20.330 2.531 ( 8.237 -0.000 4.369) 9.324 2.742 ( -0.953 0.000 -3.107) 3.250 2.857 ( -1.561 0.000 -0.988) 1.847 2.928 ( -0.075 0.000 -0.107) 0.131 3.021 ( 15.578 -0.000 -2.502) 15.777 3.292 ( 8.409 -0.000 -9.043) 12.349 3.644 ( 1.220 -0.000 1.445) 1.891 3.676 ( -1.963 0.000 -2.268) 3.000 3.925 ( -6.614 0.000 -0.016) 6.614 4.002 ( 13.677 -0.000 4.660) 14.450 4.207 ( -9.274 0.000 5.387) 10.725 4.262 ( -3.971 0.000 -5.569) 6.840 4.618 ( 5.572 -0.000 12.673) 13.844 4.671 ( 5.440 -0.000 -3.994) 6.748 4.955 ( 0.625 -0.000 -3.080) 3.143 5.014 ( 1.065 -0.000 -2.050) 2.310 5.248 ( 0.764 -0.000 8.705) 8.739 5.281 ( 0.127 -0.000 0.696) 0.707 5.499 ( -3.819 0.000 -6.803) 7.801 5.637 ( -0.630 0.000 3.868) 3.919 5.964 ( 0.948 -0.000 -0.678) 1.165 6.078 ( 1.160 -0.000 -0.585) 1.300 6.291 ( -3.439 0.000 2.634) 4.332 6.358 ( -0.249 0.000 -1.344) 1.367 6.672 ( -1.608 0.000 0.890) 1.838 6.677 ( 0.790 -0.000 4.250) 4.323 7.796 ( -5.730 0.000 -5.948) 8.259 7.849 ( 5.766 -0.000 6.172) 8.446 8.245 ( -0.805 0.000 -1.319) 1.545 8.336 ( 2.974 -0.000 -2.783) 4.073 9.094 ( -2.609 0.000 2.782) 3.815 9.182 ( -4.061 0.000 -5.685) 6.987 9.216 ( -5.103 0.000 -3.493) 6.183 9.286 ( 0.734 -0.000 0.709) 1.020 9.628 ( -1.267 0.000 3.652) 3.866 9.677 ( 2.440 -0.000 3.948) 4.641 9.696 ( 8.811 -0.000 8.002) 11.902 9.748 ( -3.329 0.000 -8.568) 9.192 10.153 ( -5.929 0.000 -8.826) 10.633 10.179 ( 5.668 -0.000 4.566) 7.278 10.651 ( -4.506 0.000 6.163) 7.635 10.896 ( 2.869 -0.000 -6.437) 7.047 11.229 ( -1.458 0.000 4.649) 4.872 11.284 ( 4.340 -0.000 4.816) 6.483 11.365 ( -0.268 0.000 2.821) 2.834 11.516 ( 0.691 -0.000 -7.907) 7.937 11.735 ( -6.733 0.000 -1.621) 6.925 11.869 ( 3.733 -0.000 2.296) 4.382 12.426 ( -6.688 0.000 0.746) 6.730 12.502 ( -1.539 0.000 -0.806) 1.737 12.570 ( 0.916 -0.000 -2.107) 2.298 12.654 ( -0.434 0.000 1.736) 1.789 12.792 ( 2.198 -0.000 -8.141) 8.432 12.872 ( 1.464 -0.000 -2.298) 2.725 13.391 ( 0.214 -0.000 6.294) 6.297 13.457 ( 1.358 -0.000 -1.364) 1.924 13.610 ( 2.407 -0.000 1.677) 2.933 13.617 ( -0.644 0.000 -1.050) 1.232 14.455 ( 1.325 -0.000 -1.486) 1.991 14.498 ( 3.609 -0.000 -0.282) 3.620 14.918 ( -1.796 0.000 5.457) 5.745 14.990 ( -1.710 0.000 -4.579) 4.888 15.168 ( -1.931 0.000 -0.359) 1.964 15.249 ( 0.797 -0.000 -1.488) 1.688 15.847 ( 13.386 -0.000 15.020) 20.119 15.868 ( -10.348 0.000 -24.093) 26.221 16.757 ( -0.878 0.000 0.970) 1.308 16.790 ( -0.281 0.000 -1.004) 1.042 16.964 ( -0.758 0.000 2.603) 2.711 17.043 ( 1.700 -0.000 -1.087) 2.018 17.348 ( -6.675 0.000 -5.108) 8.405 17.377 ( 2.000 -0.000 6.495) 6.796 19.741 ( -3.865 0.000 -4.919) 6.256 19.875 ( 8.852 -0.000 1.031) 8.912 20.904 ( -1.714 0.000 0.605) 1.818 20.988 ( 2.374 -0.000 -0.072) 2.375 22.185 ( 0.397 -0.000 6.730) 6.742 22.300 ( 0.148 -0.000 -4.499) 4.501 23.290 ( -3.148 0.000 2.573) 4.065 23.456 ( 2.825 -0.000 -2.976) 4.103 26.969 ( -0.085 0.000 0.150) 0.172 26.974 ( 0.065 -0.000 -0.031) 0.072 29.448 ( -5.408 0.000 -3.867) 6.648 29.484 ( 0.631 -0.000 2.335) 2.419 30.762 ( -0.156 0.000 5.957) 5.959 30.843 ( 3.293 -0.000 0.595) 3.346 30.876 ( 2.321 -0.000 12.325) 12.542 31.281 ( 5.840 -0.000 -15.860) 16.901 31.521 ( 2.256 -0.000 9.961) 10.214 31.798 ( -7.170 0.000 -34.644) 35.378 32.059 ( -3.631 0.000 -1.725) 4.020 32.120 ( -1.831 0.000 -7.421) 7.644 32.736 ( -7.155 0.000 -8.423) 11.052 32.794 ( -1.118 0.000 0.356) 1.174 33.619 ( -2.888 0.000 5.325) 6.058 33.989 ( 7.402 -0.000 -7.830) 10.775 35.391 ( -1.510 0.000 2.601) 3.007 35.463 ( 0.168 -0.000 -2.029) 2.035 35.669 ( -5.297 0.000 5.183) 7.411 35.958 ( 6.011 -0.000 -3.936) 7.185 36.187 ( -1.299 0.000 1.246) 1.800 36.330 ( 6.354 -0.000 1.230) 6.472 38.165 ( 8.902 -0.000 41.211) 42.161 38.505 ( -6.525 0.000 -19.154) 20.235 ======================= Grid point 179 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -20.756 -12.546 1.950) 24.332 1.427 ( -23.377 -7.991 11.285) 27.161 2.116 ( -26.344 -11.245 4.405) 28.980 2.170 ( 8.155 3.133 1.049) 8.799 2.428 ( 0.821 13.688 -3.704) 14.204 2.716 ( -2.486 -11.252 5.025) 12.572 2.809 ( -1.295 5.958 -0.865) 6.159 3.005 ( -1.149 -2.765 -9.332) 9.800 3.336 ( 10.317 -13.876 -1.940) 17.399 3.423 ( 9.683 -10.270 -5.758) 15.244 3.597 ( 1.118 2.835 -1.098) 3.239 3.692 ( -1.914 -2.631 -1.117) 3.439 3.830 ( -5.076 3.118 0.274) 5.963 3.998 ( 5.628 7.052 -5.476) 10.554 4.174 ( -5.009 -0.242 5.476) 7.425 4.306 ( 4.725 -4.208 -0.569) 6.353 4.684 ( 2.279 2.033 9.891) 10.352 4.699 ( 7.386 0.314 -2.480) 7.798 4.903 ( 2.021 3.331 -4.412) 5.886 5.060 ( 2.986 -3.556 2.039) 5.071 5.302 ( 1.163 0.149 -1.444) 1.860 5.351 ( 0.444 -5.068 4.776) 6.978 5.400 ( 0.584 3.010 -1.025) 3.233 5.706 ( -6.111 -6.753 2.428) 9.426 5.886 ( 1.336 8.892 -2.393) 9.305 6.006 ( -1.831 7.234 -0.435) 7.475 6.206 ( -5.515 5.004 1.470) 7.590 6.351 ( -0.525 -0.229 -3.421) 3.468 6.628 ( -1.713 3.745 1.222) 4.295 6.710 ( 1.519 -0.133 1.283) 1.993 7.737 ( -4.979 -0.639 -2.955) 5.825 7.960 ( 8.641 -0.171 10.164) 13.342 8.199 ( 0.057 4.084 -0.092) 4.085 8.310 ( 0.599 1.626 -5.333) 5.607 9.067 ( -2.054 4.378 1.322) 5.013 9.109 ( -3.647 -1.220 -2.472) 4.571 9.176 ( -1.444 -3.004 -1.653) 3.720 9.274 ( -0.027 2.648 2.970) 3.980 9.601 ( -4.342 1.496 -0.564) 4.627 9.709 ( 1.329 1.011 -1.674) 2.364 9.716 ( 1.029 -5.032 -0.370) 5.150 9.852 ( 3.066 2.238 5.003) 6.280 10.086 ( -5.016 -4.479 -6.401) 9.284 10.253 ( 2.191 -2.175 3.476) 4.649 10.615 ( -4.548 4.543 7.359) 9.772 10.843 ( 4.743 6.459 -2.573) 8.417 11.238 ( 1.731 1.087 0.849) 2.213 11.280 ( 1.841 8.438 7.507) 11.443 11.331 ( 0.174 0.282 2.819) 2.838 11.503 ( 3.853 0.509 -4.715) 6.111 11.708 ( -6.766 -2.972 -1.741) 7.592 11.919 ( 1.812 -1.051 2.106) 2.970 12.218 ( -9.935 10.615 1.482) 14.614 12.430 ( -1.863 5.515 -5.552) 8.045 12.502 ( -1.900 4.109 0.132) 4.529 12.634 ( 0.393 1.287 -1.640) 2.122 12.780 ( -0.856 -1.100 -6.427) 6.576 12.890 ( 3.479 -1.909 -1.615) 4.285 13.361 ( -0.730 4.307 6.917) 8.181 13.466 ( 1.927 0.522 -3.945) 4.422 13.607 ( -3.106 -0.438 -1.316) 3.402 13.741 ( 3.558 -9.214 2.711) 10.242 14.450 ( -4.504 4.596 -6.473) 9.128 14.530 ( 2.663 -0.685 -0.017) 2.750 14.867 ( -6.340 -6.645 1.109) 9.251 15.104 ( 3.984 -4.957 1.240) 6.480 15.318 ( 3.611 -17.422 -4.055) 18.249 15.347 ( -1.661 -10.506 -3.571) 11.220 15.748 ( -5.683 -7.696 -15.067) 17.848 16.071 ( 11.414 -4.247 9.108) 15.208 16.661 ( -1.801 6.869 -0.353) 7.110 16.750 ( 1.739 2.258 -2.089) 3.534 16.987 ( -0.753 -1.835 0.344) 2.013 17.081 ( 2.131 -3.478 -1.630) 4.392 17.313 ( -5.516 -3.683 -3.044) 7.297 17.446 ( -0.180 -2.010 5.435) 5.797 19.732 ( -0.719 -3.349 -1.280) 3.657 19.959 ( 8.613 -0.352 1.484) 8.747 20.833 ( -1.909 6.374 2.027) 6.956 20.962 ( 2.511 5.226 -1.020) 5.887 22.273 ( -1.496 -5.386 4.500) 7.176 22.349 ( 0.841 -7.572 -4.410) 8.804 23.224 ( -2.666 5.648 5.022) 8.014 23.429 ( 3.490 4.069 -3.416) 6.357 27.066 ( -0.879 -10.498 0.244) 10.538 27.244 ( 10.299 -26.253 -1.653) 28.249 29.248 ( -5.811 13.927 -4.094) 15.636 29.382 ( -0.169 12.580 3.381) 13.028 30.786 ( -3.291 -1.602 -2.648) 4.517 30.891 ( 2.608 -2.598 -1.158) 3.859 30.986 ( -3.118 -4.184 1.252) 5.366 31.218 ( -5.820 -10.242 -18.655) 22.063 31.609 ( 3.310 -0.458 1.088) 3.515 31.634 ( -0.759 -1.629 -4.126) 4.500 32.012 ( -3.159 0.536 0.869) 3.320 32.028 ( -2.872 5.722 -4.852) 8.033 32.719 ( -6.238 -6.553 -1.146) 9.119 32.864 ( -1.320 -7.992 1.423) 8.224 33.610 ( -1.991 1.894 4.092) 4.929 33.965 ( 5.714 3.518 -7.593) 10.133 35.402 ( -1.915 -1.127 2.143) 3.088 35.459 ( 0.399 -0.691 -1.546) 1.740 35.685 ( -4.941 -2.690 5.650) 7.973 35.975 ( 3.800 0.365 -2.511) 4.569 36.262 ( 2.683 -7.226 -1.155) 7.794 36.380 ( 6.452 1.170 1.874) 6.820 38.245 ( 1.449 16.016 17.085) 23.463 38.309 ( 1.076 10.753 -2.560) 11.106 ======================= Grid point 180 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -18.144 -14.933 4.331) 23.895 1.566 ( -11.059 -13.039 16.669) 23.878 2.144 ( 12.596 4.154 -2.498) 13.497 2.331 ( -0.360 -12.747 8.589) 15.375 2.416 ( -6.899 -15.355 6.655) 18.101 2.683 ( -6.314 -0.646 -1.156) 6.451 2.923 ( -6.382 -3.517 -7.368) 10.363 2.966 ( -8.987 -11.900 -1.441) 14.982 3.387 ( 0.011 5.113 -7.222) 8.848 3.503 ( 6.974 0.655 -6.732) 9.715 3.667 ( -3.436 0.402 -0.008) 3.459 3.702 ( -0.397 -1.283 -1.568) 2.064 3.805 ( 1.903 -1.872 -1.345) 2.989 3.938 ( 5.438 -0.170 -3.551) 6.497 4.184 ( -5.236 -2.065 4.735) 7.355 4.381 ( 8.655 3.832 1.400) 9.568 4.717 ( 4.967 2.307 -0.688) 5.520 4.738 ( 1.230 -0.510 4.210) 4.415 4.837 ( 6.954 4.103 -3.156) 8.669 5.159 ( 3.543 -3.423 -1.361) 5.110 5.246 ( 0.845 3.926 -0.979) 4.134 5.442 ( 4.493 -4.229 -1.692) 6.398 5.507 ( -1.457 -7.533 5.130) 9.230 5.678 ( -0.361 10.640 -0.753) 10.672 5.760 ( -6.660 -1.292 -2.795) 7.337 5.852 ( -2.364 4.760 4.779) 7.147 6.082 ( -5.590 4.513 3.092) 7.822 6.327 ( 2.299 0.623 -4.841) 5.395 6.544 ( -2.653 3.636 1.009) 4.613 6.703 ( 1.094 1.142 -3.767) 4.085 7.701 ( -3.098 0.033 -0.066) 3.098 7.997 ( 3.740 7.312 5.343) 9.798 8.135 ( -3.165 2.417 -0.849) 4.072 8.322 ( 7.142 -4.451 -0.542) 8.433 9.028 ( -0.752 0.191 1.129) 1.370 9.084 ( -0.990 0.799 -1.943) 2.322 9.216 ( 3.334 1.231 5.828) 6.826 9.291 ( -5.308 -6.523 0.721) 8.441 9.534 ( -4.959 1.435 -1.268) 5.316 9.664 ( -0.263 3.573 -1.759) 3.992 9.727 ( -1.483 6.650 -1.415) 6.959 9.846 ( 2.336 -6.525 0.793) 6.976 10.140 ( -2.044 -3.032 -1.345) 3.897 10.321 ( -0.979 -2.422 3.238) 4.160 10.504 ( -5.334 7.232 5.073) 10.319 10.714 ( 3.304 9.300 -1.886) 10.048 11.141 ( -1.069 6.692 4.016) 7.878 11.269 ( 2.493 2.015 5.933) 6.744 11.373 ( 2.432 -0.630 0.459) 2.553 11.491 ( 2.850 -0.062 -4.080) 4.977 11.666 ( -8.951 1.753 -0.102) 9.121 11.913 ( -7.928 -0.940 -0.026) 7.983 12.122 ( 0.721 -4.329 -0.633) 4.434 12.315 ( 0.598 1.975 -2.407) 3.171 12.418 ( 0.439 4.749 0.920) 4.857 12.591 ( 4.406 4.444 -2.615) 6.782 12.751 ( -1.763 0.422 -2.927) 3.443 12.927 ( 2.287 0.055 -2.467) 3.364 13.328 ( -0.361 3.673 8.150) 8.947 13.457 ( 3.890 -0.547 -4.369) 5.875 13.584 ( -6.002 -2.690 -2.614) 7.077 13.951 ( 3.027 -8.186 3.485) 9.397 14.202 ( -11.634 8.025 -7.300) 15.908 14.566 ( 2.081 -1.648 0.391) 2.683 14.985 ( -4.791 -7.747 1.112) 9.177 15.274 ( 5.974 -9.186 1.532) 11.064 15.490 ( -0.841 -5.713 -2.748) 6.395 15.554 ( 4.249 -6.789 -4.286) 9.084 15.844 ( -1.552 -9.934 -2.719) 10.416 16.160 ( 1.462 5.079 5.399) 7.555 16.518 ( -0.850 8.045 -1.422) 8.214 16.837 ( 12.381 -8.699 -10.466) 18.398 17.027 ( 0.690 -2.902 -1.057) 3.164 17.173 ( 2.396 -4.924 -0.065) 5.477 17.337 ( -3.781 -3.773 -0.858) 5.410 17.490 ( -2.084 -1.194 4.560) 5.154 19.836 ( 1.408 -7.354 2.132) 7.786 20.045 ( 7.045 -3.131 -1.785) 7.913 20.696 ( -2.529 8.090 3.112) 9.029 20.837 ( 1.834 9.158 -2.127) 9.579 22.381 ( -5.797 -7.706 3.226) 10.169 22.505 ( 1.465 -11.059 -4.488) 12.025 23.130 ( -1.290 6.994 5.617) 9.063 23.325 ( 3.740 8.203 -3.880) 9.815 27.312 ( -1.442 -17.325 0.579) 17.395 27.897 ( 22.794 -29.769 -9.187) 38.603 28.878 ( -3.991 19.561 -2.605) 20.133 29.106 ( -1.784 18.883 4.969) 19.608 30.778 ( -8.679 -8.364 -6.256) 13.580 30.969 ( 1.891 -5.766 -2.437) 6.539 31.039 ( -1.784 -7.058 -5.445) 9.091 31.298 ( -6.150 -4.559 -0.994) 7.719 31.626 ( 2.711 6.242 3.465) 7.636 31.659 ( 2.088 -1.846 1.972) 3.414 31.851 ( -3.737 7.490 -0.458) 8.384 32.063 ( 1.334 -8.496 -3.552) 9.305 32.835 ( -3.673 -9.878 1.722) 10.678 33.044 ( 0.037 -10.589 2.166) 10.808 33.566 ( -1.860 3.586 3.104) 5.095 33.869 ( 3.776 6.553 -7.287) 10.502 35.424 ( -1.613 -1.687 1.632) 2.848 35.479 ( 0.326 -1.834 -0.502) 1.930 35.742 ( -5.560 -4.041 6.436) 9.416 35.986 ( 2.553 0.018 -0.343) 2.575 36.403 ( 4.887 2.435 2.861) 6.164 36.427 ( 3.361 -8.420 -3.390) 9.679 38.006 ( -3.717 15.581 11.778) 19.882 38.024 ( -0.452 17.136 -5.807) 18.099 ======================= Grid point 187 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -25.837 0.000 6.839) 26.727 1.209 ( -27.142 0.000 15.172) 31.094 1.827 ( -36.130 0.000 20.432) 41.507 2.274 ( 4.312 -0.000 12.018) 12.768 2.477 ( -13.227 0.000 -4.752) 14.055 2.712 ( -8.366 0.000 -8.529) 11.947 2.915 ( 9.004 -0.000 1.872) 9.197 3.026 ( 20.666 -0.000 -1.574) 20.726 3.206 ( 9.230 -0.000 -6.058) 11.040 3.327 ( 10.965 -0.000 -5.628) 12.325 3.613 ( -2.064 0.000 -5.940) 6.288 3.652 ( -1.101 0.000 1.353) 1.744 3.821 ( -2.549 0.000 0.420) 2.583 4.099 ( 0.643 -0.000 -3.117) 3.182 4.168 ( -2.142 0.000 0.096) 2.145 4.264 ( 6.836 -0.000 -1.237) 6.947 4.738 ( -4.479 0.000 8.849) 9.918 4.751 ( 9.468 -0.000 -3.405) 10.062 4.947 ( -5.474 0.000 -1.901) 5.794 5.000 ( 5.372 -0.000 -4.242) 6.845 5.296 ( 2.091 -0.000 -3.533) 4.106 5.343 ( 3.338 -0.000 10.171) 10.704 5.522 ( 10.965 -0.000 -2.232) 11.190 5.600 ( -7.394 0.000 4.609) 8.713 5.961 ( -1.126 0.000 -5.219) 5.339 6.065 ( -3.706 0.000 1.061) 3.855 6.164 ( -10.318 0.000 -5.720) 11.797 6.320 ( -1.151 0.000 -1.462) 1.860 6.666 ( -1.247 0.000 1.082) 1.650 6.714 ( -0.407 0.000 -0.672) 0.785 7.699 ( -2.480 0.000 2.686) 3.656 8.094 ( 10.962 -0.000 11.980) 16.238 8.282 ( 5.269 -0.000 1.259) 5.418 8.299 ( -1.588 0.000 -3.703) 4.029 9.058 ( -2.183 0.000 -3.038) 3.741 9.083 ( -1.646 0.000 -1.312) 2.105 9.108 ( -5.865 0.000 1.743) 6.118 9.283 ( -3.542 0.000 0.338) 3.558 9.583 ( -3.065 0.000 -2.419) 3.905 9.687 ( 0.822 -0.000 -3.900) 3.985 9.722 ( -0.475 0.000 2.339) 2.386 9.902 ( -1.676 0.000 -0.195) 1.688 10.020 ( 3.336 -0.000 2.598) 4.228 10.275 ( 3.224 -0.000 2.375) 4.005 10.669 ( -4.960 0.000 9.205) 10.456 10.982 ( 11.400 -0.000 1.617) 11.514 11.201 ( -0.162 0.000 -4.262) 4.265 11.373 ( 0.952 -0.000 2.198) 2.395 11.445 ( -6.473 0.000 9.997) 11.910 11.495 ( 5.429 -0.000 -5.604) 7.802 11.659 ( 0.678 -0.000 1.830) 1.951 11.940 ( 2.321 -0.000 1.748) 2.905 12.319 ( -11.510 0.000 -7.223) 13.589 12.447 ( -2.156 0.000 -5.573) 5.975 12.487 ( -1.920 0.000 -2.850) 3.437 12.535 ( -5.860 0.000 1.333) 6.010 12.780 ( 7.322 -0.000 -4.097) 8.391 12.907 ( 2.878 -0.000 0.498) 2.921 13.434 ( -3.291 0.000 4.128) 5.279 13.441 ( 0.436 -0.000 -3.192) 3.221 13.607 ( 1.157 -0.000 -3.331) 3.526 13.682 ( 3.612 -0.000 2.705) 4.513 14.472 ( 2.908 -0.000 -1.577) 3.308 14.538 ( 1.232 -0.000 -1.966) 2.320 14.663 ( -20.123 0.000 -26.331) 33.139 14.919 ( -4.125 0.000 3.909) 5.683 15.112 ( -2.280 0.000 -0.219) 2.290 15.176 ( -2.473 0.000 -5.890) 6.388 15.578 ( -1.875 0.000 -1.232) 2.244 16.200 ( 9.789 -0.000 12.044) 15.520 16.723 ( -3.746 0.000 -1.031) 3.886 16.753 ( -1.732 0.000 -2.444) 2.995 16.972 ( -0.665 0.000 0.335) 0.745 17.032 ( 0.648 -0.000 -3.700) 3.757 17.219 ( -3.606 0.000 -1.888) 4.071 17.456 ( -1.524 0.000 6.124) 6.311 19.700 ( 1.154 -0.000 1.164) 1.639 20.063 ( 9.358 -0.000 4.837) 10.534 20.897 ( -0.806 0.000 1.626) 1.815 21.032 ( 3.096 -0.000 -0.213) 3.103 22.241 ( -1.361 0.000 2.148) 2.543 22.254 ( 1.054 -0.000 -5.004) 5.114 23.286 ( -2.284 0.000 4.387) 4.946 23.466 ( 2.537 -0.000 -3.029) 3.951 26.969 ( -0.115 0.000 0.061) 0.130 26.974 ( 0.074 -0.000 -0.069) 0.102 29.349 ( -2.637 0.000 0.107) 2.639 29.495 ( -2.447 0.000 2.309) 3.364 30.663 ( -25.218 0.000 -40.036) 47.316 30.799 ( 1.473 -0.000 -0.141) 1.479 30.888 ( 2.744 -0.000 -1.562) 3.157 31.018 ( -0.672 0.000 10.742) 10.763 31.595 ( 4.818 -0.000 -3.092) 5.725 31.679 ( -2.290 0.000 15.356) 15.526 31.980 ( -5.080 0.000 -0.192) 5.084 32.102 ( -0.051 0.000 2.066) 2.067 32.606 ( -5.483 0.000 1.485) 5.681 32.768 ( -3.718 0.000 1.953) 4.200 33.635 ( -1.223 0.000 2.871) 3.121 33.993 ( 4.801 -0.000 -8.309) 9.596 35.389 ( -2.192 0.000 2.397) 3.248 35.449 ( 1.171 -0.000 -1.996) 2.314 35.655 ( -3.897 0.000 4.823) 6.200 35.994 ( 4.839 -0.000 -5.271) 7.156 36.207 ( 1.454 -0.000 1.977) 2.454 36.459 ( 6.858 -0.000 2.505) 7.301 38.234 ( 0.823 -0.000 -19.106) 19.124 38.729 ( 11.660 -0.000 21.668) 24.607 ======================= Grid point 188 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -16.528 -15.710 13.805) 26.656 1.288 ( -15.323 -20.140 19.433) 31.907 1.823 ( -28.302 -15.501 23.960) 40.191 2.329 ( -4.365 -1.993 -2.362) 5.348 2.411 ( 6.574 3.144 11.575) 13.677 2.621 ( -8.979 -4.885 -7.146) 12.472 2.830 ( 1.780 9.491 4.283) 10.564 2.952 ( 8.174 9.614 -7.319) 14.588 3.377 ( 2.037 -2.344 -8.858) 9.387 3.494 ( 11.279 -5.368 -6.586) 14.121 3.607 ( -0.413 -2.354 1.816) 3.002 3.658 ( 0.179 -1.795 -1.856) 2.588 3.831 ( 2.704 -0.926 0.202) 2.865 3.999 ( 4.907 6.039 -7.388) 10.730 4.136 ( -4.441 -1.218 2.870) 5.426 4.412 ( 7.202 -6.234 -1.560) 9.653 4.755 ( -1.529 -0.733 7.761) 7.944 4.816 ( 9.872 0.268 -2.143) 10.105 4.907 ( 1.247 1.178 -3.619) 4.005 5.045 ( -2.709 -6.561 -2.852) 7.650 5.268 ( 0.891 1.108 -6.057) 6.221 5.392 ( -2.017 0.951 1.995) 2.992 5.533 ( 3.136 2.076 5.160) 6.385 5.667 ( 3.089 -2.871 3.214) 5.302 5.809 ( -4.529 6.719 -5.029) 9.537 5.981 ( -3.753 5.255 2.737) 7.014 6.055 ( -10.220 0.272 -4.482) 11.163 6.309 ( 0.740 -0.409 -2.641) 2.773 6.609 ( -2.523 4.488 -0.296) 5.157 6.686 ( -1.909 0.753 -4.280) 4.746 7.718 ( 1.701 0.771 6.161) 6.438 8.157 ( -3.471 8.401 -3.022) 9.579 8.234 ( 7.698 3.059 9.510) 12.612 8.343 ( 7.845 -0.935 1.354) 8.015 9.002 ( -4.174 1.555 -4.155) 6.091 9.078 ( -1.073 -0.978 1.852) 2.353 9.142 ( -4.352 -3.830 2.438) 6.289 9.246 ( -5.336 -2.392 -0.539) 5.873 9.513 ( -1.268 2.109 -2.975) 3.861 9.670 ( -5.561 -0.013 -7.208) 9.104 9.715 ( -3.085 -1.445 3.111) 4.614 9.860 ( 2.094 1.606 1.265) 2.927 10.104 ( 3.973 -0.726 7.027) 8.105 10.319 ( 3.094 -0.460 1.958) 3.690 10.635 ( -4.923 5.374 8.827) 11.447 10.902 ( 2.360 10.551 -3.606) 11.397 11.280 ( 1.844 1.949 -0.300) 2.700 11.320 ( -1.996 0.863 -2.227) 3.113 11.385 ( -2.243 1.750 5.742) 6.408 11.499 ( 0.924 0.708 -3.729) 3.906 11.649 ( 0.181 3.535 3.183) 4.760 11.866 ( -15.813 5.192 -2.812) 16.879 12.085 ( 0.355 0.025 0.610) 0.706 12.396 ( 3.523 5.813 -0.945) 6.862 12.476 ( -6.571 -1.619 -2.222) 7.123 12.571 ( 6.097 0.276 1.810) 6.366 12.768 ( 5.441 2.871 -2.789) 6.755 12.935 ( 3.110 -0.728 -0.712) 3.273 13.405 ( -3.533 1.321 5.827) 6.941 13.446 ( 2.196 -0.836 -4.000) 4.639 13.562 ( -0.900 2.890 -1.724) 3.483 13.813 ( 0.661 -8.601 0.410) 8.636 14.235 ( -7.421 7.286 -5.814) 11.915 14.557 ( 1.317 -0.346 -0.386) 1.415 14.804 ( -2.135 -11.920 0.863) 12.140 15.170 ( 3.179 -6.931 0.039) 7.626 15.224 ( -3.832 -10.780 -5.347) 12.628 15.300 ( 9.434 -33.850 -17.718) 39.354 15.654 ( 1.227 -6.169 5.957) 8.663 16.282 ( 2.426 3.639 5.663) 7.156 16.631 ( 0.736 4.062 -2.390) 4.770 16.723 ( -0.042 -1.041 -4.955) 5.063 16.959 ( -0.600 -2.456 -2.697) 3.697 17.091 ( 1.213 -5.415 -1.563) 5.765 17.243 ( -1.381 -4.195 1.031) 4.535 17.475 ( -3.664 -0.802 4.618) 5.949 19.766 ( 2.881 -3.911 3.707) 6.111 20.107 ( 5.770 3.251 2.790) 7.186 20.835 ( -1.208 6.779 2.694) 7.394 20.988 ( 2.180 6.554 -1.223) 7.015 22.244 ( -6.566 -3.426 1.329) 7.524 22.314 ( 1.537 -7.874 -4.776) 9.337 23.249 ( -2.473 4.420 4.373) 6.691 23.439 ( 2.984 3.749 -4.251) 6.406 27.060 ( -0.309 -10.063 0.363) 10.074 27.368 ( 11.529 -35.543 -12.026) 39.254 29.189 ( 1.450 15.746 2.701) 16.042 29.386 ( -3.423 11.393 2.608) 12.178 30.464 ( -8.216 -11.139 -7.763) 15.870 30.867 ( 1.750 -5.283 -3.539) 6.595 30.925 ( 1.980 -3.140 -2.529) 4.492 31.147 ( -2.835 -7.788 7.615) 11.255 31.636 ( 0.544 -2.104 1.451) 2.613 31.761 ( 3.171 -1.004 7.236) 7.964 31.895 ( -5.852 2.849 -2.396) 6.936 32.034 ( -2.800 7.087 4.429) 8.814 32.662 ( -2.023 -7.645 3.037) 8.471 32.857 ( -2.506 -10.132 2.715) 10.785 33.621 ( -1.189 2.083 2.025) 3.139 33.945 ( 3.508 3.646 -8.517) 9.906 35.396 ( -1.833 -1.139 2.159) 3.052 35.456 ( 1.246 -0.831 -1.097) 1.857 35.676 ( -4.007 -2.453 4.937) 6.815 35.999 ( 3.465 -0.368 -3.638) 5.037 36.296 ( 2.770 -6.327 -0.269) 6.912 36.503 ( 5.076 1.951 2.638) 6.044 38.102 ( 6.200 6.064 -16.387) 18.540 38.554 ( -7.888 28.295 13.279) 32.236 ======================= Grid point 196 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -10.486 0.000 21.740) 24.137 1.063 ( -18.147 0.000 26.366) 32.007 1.707 ( -19.637 0.000 37.081) 41.960 2.180 ( -11.520 0.000 -11.308) 16.142 2.370 ( -10.544 0.000 0.118) 10.544 2.659 ( 11.412 -0.000 7.606) 13.714 3.001 ( 0.878 -0.000 4.453) 4.539 3.119 ( -2.812 0.000 -11.489) 11.829 3.374 ( 21.156 -0.000 -1.307) 21.196 3.487 ( 11.975 -0.000 -2.484) 12.230 3.586 ( 6.220 -0.000 -3.721) 7.248 3.640 ( -3.385 0.000 1.391) 3.659 3.825 ( 1.794 -0.000 -0.998) 2.053 4.032 ( -2.321 0.000 -12.567) 12.780 4.122 ( 0.644 -0.000 2.100) 2.196 4.374 ( 4.899 -0.000 1.549) 5.138 4.774 ( -3.687 0.000 10.117) 10.768 4.811 ( -2.365 0.000 -1.069) 2.595 4.888 ( 4.643 -0.000 -0.882) 4.726 4.982 ( 3.469 -0.000 -5.556) 6.550 5.255 ( 0.529 -0.000 -6.653) 6.674 5.387 ( -7.948 0.000 -4.490) 9.129 5.551 ( -5.361 0.000 1.908) 5.690 5.753 ( 7.948 -0.000 1.454) 8.080 5.785 ( -6.547 0.000 -9.354) 11.418 5.881 ( -6.227 0.000 -5.408) 8.248 6.067 ( -2.185 0.000 7.412) 7.728 6.301 ( 1.243 -0.000 -1.996) 2.351 6.623 ( -3.671 0.000 -2.266) 4.314 6.660 ( -3.001 0.000 -2.300) 3.781 7.803 ( 5.253 -0.000 9.270) 10.655 8.215 ( -3.193 0.000 -6.099) 6.884 8.360 ( 1.378 -0.000 -0.300) 1.411 8.394 ( 10.911 -0.000 7.822) 13.426 8.988 ( -0.729 0.000 -3.303) 3.383 9.069 ( -8.512 0.000 2.671) 8.921 9.098 ( 0.103 -0.000 5.024) 5.025 9.114 ( -7.105 0.000 -6.969) 9.953 9.535 ( -0.426 0.000 -2.761) 2.793 9.568 ( -4.318 0.000 -6.493) 7.797 9.690 ( -6.680 0.000 3.870) 7.720 9.882 ( 2.992 -0.000 2.179) 3.701 10.235 ( 10.917 -0.000 8.430) 13.793 10.352 ( 2.948 -0.000 1.884) 3.498 10.695 ( -4.060 0.000 8.003) 8.974 10.991 ( -9.698 0.000 -14.761) 17.662 11.145 ( -1.974 0.000 -4.231) 4.669 11.357 ( -10.190 0.000 3.721) 10.848 11.404 ( 3.680 -0.000 -1.030) 3.822 11.498 ( 2.676 -0.000 -5.368) 5.998 11.749 ( 0.524 -0.000 6.031) 6.054 11.758 ( -18.459 0.000 -4.416) 18.980 12.112 ( 5.558 -0.000 4.158) 6.941 12.416 ( 5.062 -0.000 -0.595) 5.097 12.477 ( 3.245 -0.000 -1.640) 3.636 12.775 ( 14.572 -0.000 -0.442) 14.579 12.875 ( 1.286 -0.000 3.185) 3.434 12.933 ( 0.572 -0.000 -0.964) 1.121 13.408 ( -0.183 0.000 -3.224) 3.229 13.434 ( -0.468 0.000 8.211) 8.224 13.568 ( 0.811 -0.000 -5.119) 5.183 13.692 ( -6.231 0.000 -4.599) 7.744 14.289 ( 12.327 -0.000 5.910) 13.670 14.502 ( 2.771 -0.000 -1.354) 3.084 14.567 ( 1.549 -0.000 -1.659) 2.269 14.892 ( -4.480 0.000 3.485) 5.676 15.098 ( -0.018 0.000 -5.151) 5.151 15.114 ( 0.334 -0.000 2.185) 2.211 15.672 ( 5.553 -0.000 9.287) 10.821 16.359 ( -2.754 0.000 2.649) 3.822 16.640 ( -3.030 0.000 -0.793) 3.132 16.688 ( -1.613 0.000 -4.058) 4.367 16.962 ( -0.303 0.000 0.384) 0.489 16.997 ( 1.128 -0.000 -4.160) 4.310 17.204 ( 1.134 -0.000 1.852) 2.171 17.455 ( -5.585 0.000 3.443) 6.560 19.786 ( 4.388 -0.000 5.614) 7.125 20.195 ( 1.481 -0.000 1.288) 1.962 20.914 ( -0.191 0.000 2.598) 2.605 21.061 ( 1.577 -0.000 -1.523) 2.192 22.161 ( -9.007 0.000 -0.162) 9.009 22.227 ( 2.836 -0.000 -4.896) 5.658 23.289 ( -3.746 0.000 3.278) 4.978 23.462 ( 1.792 -0.000 -3.709) 4.119 26.969 ( 0.032 -0.000 0.195) 0.197 26.975 ( 0.088 -0.000 -0.042) 0.098 29.395 ( 2.241 -0.000 2.051) 3.037 29.470 ( -3.310 0.000 1.614) 3.682 30.398 ( 24.714 -0.000 10.114) 26.703 30.808 ( 1.050 -0.000 -1.662) 1.966 30.904 ( 2.249 -0.000 -2.252) 3.183 31.103 ( -3.460 0.000 9.649) 10.250 31.619 ( 2.020 -0.000 -4.439) 4.877 31.709 ( -14.402 0.000 9.194) 17.086 31.947 ( 0.918 -0.000 3.561) 3.678 32.134 ( 0.398 -0.000 2.692) 2.721 32.608 ( 2.845 -0.000 3.553) 4.552 32.731 ( -4.087 0.000 2.426) 4.753 33.640 ( -1.312 0.000 1.477) 1.976 33.953 ( 2.935 -0.000 -9.138) 9.598 35.382 ( -2.178 0.000 2.522) 3.332 35.456 ( 2.237 -0.000 -1.411) 2.644 35.653 ( -2.996 0.000 4.165) 5.131 35.983 ( 2.777 -0.000 -6.897) 7.435 36.273 ( 2.576 -0.000 3.973) 4.735 36.564 ( 2.482 -0.000 1.790) 3.060 38.143 ( 12.160 -0.000 -13.679) 18.303 38.777 ( -19.643 0.000 -5.859) 20.498 ======================= Grid point 197 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -4.923 0.000 -19.886) 20.487 1.496 ( 4.923 -0.000 19.886) 20.487 1.822 ( -2.325 0.000 -21.816) 21.940 1.822 ( 2.325 -0.000 21.816) 21.940 2.623 ( 2.553 -0.000 -17.840) 18.022 2.623 ( -2.553 0.000 17.840) 18.022 3.049 ( -3.219 0.000 -1.467) 3.537 3.049 ( 3.219 -0.000 1.467) 3.537 3.542 ( 2.485 -0.000 -5.156) 5.724 3.542 ( -2.485 0.000 5.156) 5.724 3.673 ( 1.483 -0.000 -3.331) 3.646 3.673 ( -1.483 0.000 3.331) 3.646 3.739 ( 1.187 -0.000 -3.446) 3.645 3.739 ( -1.187 0.000 3.446) 3.645 4.252 ( -5.816 0.000 -4.624) 7.430 4.252 ( 5.816 -0.000 4.624) 7.430 4.873 ( -0.676 0.000 -2.004) 2.115 4.873 ( 0.676 -0.000 2.004) 2.115 5.118 ( 1.665 -0.000 -2.316) 2.853 5.118 ( -1.665 0.000 2.316) 2.853 5.220 ( -2.862 0.000 -4.281) 5.150 5.220 ( 2.862 -0.000 4.281) 5.150 5.249 ( -9.440 0.000 -3.000) 9.905 5.249 ( 9.440 -0.000 3.000) 9.905 5.810 ( -4.952 0.000 -3.383) 5.998 5.810 ( 4.952 -0.000 3.383) 5.998 6.306 ( -5.332 0.000 0.512) 5.356 6.306 ( 5.332 -0.000 -0.512) 5.356 6.534 ( -6.740 0.000 -2.125) 7.067 6.534 ( 6.740 -0.000 2.125) 7.067 7.942 ( -3.224 0.000 0.298) 3.238 7.942 ( 3.224 -0.000 -0.298) 3.238 8.485 ( -4.745 0.000 -5.761) 7.464 8.485 ( 4.745 -0.000 5.761) 7.464 8.947 ( -4.461 0.000 0.365) 4.476 8.947 ( 4.461 -0.000 -0.365) 4.476 9.252 ( -2.052 0.000 -8.165) 8.419 9.252 ( 2.052 -0.000 8.165) 8.419 9.356 ( -5.281 0.000 -4.227) 6.765 9.356 ( 5.281 -0.000 4.227) 6.765 9.897 ( 1.686 -0.000 -7.929) 8.106 9.897 ( -1.686 0.000 7.929) 8.106 10.369 ( 3.159 -0.000 -1.096) 3.344 10.369 ( -3.159 0.000 1.096) 3.344 10.715 ( -9.541 0.000 -0.921) 9.586 10.715 ( 9.541 -0.000 0.921) 9.586 11.141 ( 0.112 -0.000 -9.148) 9.148 11.141 ( -0.112 0.000 9.148) 9.148 11.373 ( 4.412 -0.000 -3.647) 5.724 11.373 ( -4.412 0.000 3.647) 5.724 11.831 ( -4.334 0.000 -1.249) 4.510 11.831 ( 4.334 -0.000 1.249) 4.510 12.405 ( -0.128 0.000 -5.530) 5.531 12.405 ( 0.128 -0.000 5.530) 5.531 12.648 ( -9.074 0.000 -3.663) 9.785 12.648 ( 9.074 -0.000 3.663) 9.785 12.872 ( 1.298 -0.000 -1.017) 1.649 12.872 ( -1.298 0.000 1.017) 1.649 13.386 ( -3.678 0.000 -3.104) 4.813 13.386 ( 3.678 -0.000 3.104) 4.813 13.538 ( -2.617 0.000 -0.245) 2.629 13.538 ( 2.617 -0.000 0.245) 2.629 14.524 ( -0.746 0.000 -0.984) 1.235 14.524 ( 0.746 -0.000 0.984) 1.235 14.931 ( -2.842 0.000 0.046) 2.842 14.931 ( 2.842 -0.000 -0.046) 2.842 15.032 ( -14.792 0.000 -2.497) 15.002 15.032 ( 14.792 -0.000 2.497) 15.002 16.106 ( -12.601 0.000 -5.695) 13.828 16.106 ( 12.601 -0.000 5.695) 13.828 16.588 ( -1.688 0.000 -0.276) 1.710 16.588 ( 1.688 -0.000 0.276) 1.710 16.976 ( -1.680 0.000 -0.133) 1.685 16.976 ( 1.680 -0.000 0.133) 1.685 17.351 ( -7.148 0.000 -2.279) 7.502 17.351 ( 7.148 -0.000 2.279) 7.502 20.076 ( -6.050 0.000 -4.916) 7.795 20.076 ( 6.050 -0.000 4.916) 7.795 21.008 ( 0.338 -0.000 -2.652) 2.674 21.008 ( -0.338 0.000 2.652) 2.674 22.131 ( 6.710 -0.000 -4.895) 8.305 22.131 ( -6.710 0.000 4.895) 8.305 23.351 ( 2.609 -0.000 -4.295) 5.025 23.351 ( -2.609 0.000 4.295) 5.025 26.975 ( 0.077 -0.000 -0.082) 0.113 26.975 ( -0.077 0.000 0.082) 0.113 29.445 ( -2.314 0.000 -0.339) 2.339 29.445 ( 2.314 -0.000 0.339) 2.339 30.797 ( -0.033 0.000 -1.144) 1.145 30.797 ( 0.033 -0.000 1.144) 1.145 31.239 ( -29.287 0.000 6.329) 29.963 31.239 ( 29.287 -0.000 -6.329) 29.963 31.521 ( -8.598 0.000 -0.425) 8.609 31.521 ( 8.598 -0.000 0.425) 8.609 32.148 ( -0.115 0.000 -3.308) 3.310 32.148 ( 0.115 -0.000 3.308) 3.310 32.739 ( -8.377 0.000 2.465) 8.732 32.739 ( 8.377 -0.000 -2.465) 8.732 33.713 ( 2.723 -0.000 -6.274) 6.840 33.713 ( -2.723 0.000 6.274) 6.840 35.437 ( 2.553 -0.000 -2.580) 3.629 35.437 ( -2.553 0.000 2.580) 3.629 35.778 ( 2.323 -0.000 -6.677) 7.069 35.778 ( -2.323 0.000 6.677) 7.069 36.496 ( -3.359 0.000 -4.946) 5.978 36.496 ( 3.359 -0.000 4.946) 5.978 38.207 ( -32.076 0.000 3.077) 32.224 38.207 ( 32.076 -0.000 -3.077) 32.224 ======================= Grid point 199 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -4.047 -15.138 -17.874) 23.770 1.850 ( 7.604 -19.163 -20.352) 28.970 1.863 ( 9.627 -19.846 13.419) 25.819 2.042 ( 6.202 -7.698 16.903) 19.582 2.500 ( 3.497 3.469 -20.154) 20.747 2.652 ( -2.246 3.573 11.618) 12.360 2.944 ( -3.690 6.134 -0.909) 7.215 2.992 ( 1.480 6.587 -1.560) 6.929 3.439 ( -4.944 5.168 -3.384) 7.912 3.500 ( -2.432 5.591 -0.387) 6.109 3.547 ( -7.166 2.232 -0.013) 7.506 3.679 ( 1.637 2.748 2.724) 4.202 3.775 ( -1.982 -1.569 -0.703) 2.624 3.864 ( 4.657 -6.824 2.695) 8.690 4.187 ( -4.717 0.502 -2.844) 5.531 4.332 ( 4.382 -0.657 7.180) 8.437 4.881 ( -3.649 2.573 0.819) 4.539 4.907 ( -0.833 -3.920 -1.583) 4.309 5.003 ( -8.316 0.604 -4.483) 9.466 5.088 ( -4.374 2.575 -5.402) 7.413 5.154 ( -7.814 -5.155 -2.231) 9.623 5.260 ( 8.310 -2.785 2.088) 9.010 5.352 ( 8.028 -2.317 6.483) 10.576 5.501 ( 14.865 -7.879 9.258) 19.203 5.734 ( -4.159 1.378 -2.718) 5.156 5.828 ( 2.215 2.258 1.363) 3.444 6.266 ( -3.854 0.627 -0.698) 3.966 6.328 ( -0.340 -0.014 -4.650) 4.663 6.441 ( -1.812 4.688 2.814) 5.760 6.548 ( 4.641 4.529 2.001) 6.787 7.919 ( -0.188 1.552 0.791) 1.753 7.952 ( 2.586 2.515 3.954) 5.352 8.370 ( -5.776 4.477 -6.496) 9.778 8.528 ( 3.623 1.139 3.032) 4.860 8.954 ( -5.129 -2.203 0.733) 5.630 9.032 ( 5.329 -5.715 -0.383) 7.824 9.191 ( 0.908 0.348 -6.641) 6.712 9.264 ( -3.431 0.241 -2.117) 4.039 9.353 ( 4.380 -1.041 4.510) 6.373 9.415 ( 3.864 -0.276 3.948) 5.531 9.876 ( 0.603 -1.208 -8.012) 8.125 9.931 ( -3.177 -1.257 3.609) 4.970 10.319 ( 0.350 5.240 2.918) 6.008 10.339 ( 5.573 6.629 -0.824) 8.700 10.630 ( -6.823 1.061 2.053) 7.204 10.741 ( 6.729 4.178 -1.381) 8.040 11.180 ( 0.514 -6.750 -3.096) 7.443 11.234 ( -2.509 -2.240 7.240) 7.983 11.352 ( 0.447 0.796 2.522) 2.682 11.384 ( 7.310 0.219 -2.689) 7.792 11.755 ( 0.594 4.432 -3.259) 5.533 11.802 ( 3.403 7.208 -0.958) 8.028 12.316 ( -3.745 2.741 -6.925) 8.336 12.369 ( -5.840 2.698 4.555) 7.882 12.525 ( -7.017 3.062 -2.865) 8.175 12.668 ( 5.106 6.080 2.975) 8.478 12.822 ( -1.743 4.859 -0.910) 5.242 12.861 ( 1.901 1.461 1.414) 2.784 13.394 ( -2.710 -4.479 -2.243) 5.696 13.492 ( -0.268 -1.511 4.964) 5.196 13.534 ( 3.879 0.381 -0.309) 3.910 13.552 ( 3.816 -2.757 1.219) 4.863 14.481 ( -5.823 0.820 -5.710) 8.197 14.553 ( 0.335 -2.696 1.313) 3.017 14.948 ( -6.076 -5.689 -6.559) 10.597 15.028 ( 0.016 -6.526 4.136) 7.726 15.078 ( -8.876 -18.212 2.872) 20.462 15.223 ( 4.912 -9.580 0.448) 10.775 16.011 ( -6.370 -2.498 -7.110) 9.867 16.203 ( 9.697 3.101 3.950) 10.921 16.545 ( -1.830 2.491 1.936) 3.647 16.579 ( 2.371 2.823 1.632) 4.032 16.988 ( -3.403 -3.702 -2.578) 5.651 17.050 ( 1.273 -5.454 1.412) 5.776 17.333 ( -3.976 -4.413 -1.877) 6.229 17.439 ( 6.615 -1.978 1.387) 7.042 20.014 ( -4.890 -1.822 -5.266) 7.413 20.131 ( 3.519 1.038 2.884) 4.667 20.924 ( 0.140 7.245 -2.705) 7.735 20.948 ( -0.634 7.362 2.273) 7.731 22.183 ( -5.304 -7.504 5.570) 10.746 22.223 ( 6.966 -6.697 -4.339) 10.593 23.304 ( 1.634 5.132 -1.319) 5.545 23.312 ( -0.018 4.729 2.384) 5.296 27.100 ( -0.590 -13.528 -2.330) 13.740 27.143 ( 0.199 -17.222 3.953) 17.671 29.307 ( -2.977 12.938 -1.050) 13.318 29.374 ( 4.822 10.403 -0.045) 11.466 30.782 ( -4.731 -1.522 -2.331) 5.490 30.827 ( -0.861 -2.732 2.631) 3.889 31.054 ( -31.264 -7.403 -0.947) 32.143 31.347 ( 4.800 -3.242 -7.492) 9.470 31.553 ( 0.505 -4.453 3.272) 5.549 31.676 ( 19.954 0.103 0.200) 19.956 32.016 ( -2.481 9.968 -2.565) 10.587 32.094 ( 8.058 6.166 -2.846) 10.538 32.805 ( -3.499 -10.195 -2.196) 11.000 32.892 ( 7.924 -9.482 -3.061) 12.730 33.678 ( 2.121 2.670 -4.264) 5.460 33.705 ( -2.481 2.706 6.733) 7.668 35.441 ( -1.869 -1.216 0.972) 2.432 35.452 ( 1.375 -1.265 -1.479) 2.383 35.794 ( 3.007 -3.199 -6.356) 7.725 35.833 ( -2.244 -3.423 7.408) 8.464 36.444 ( -3.957 -0.875 -4.556) 6.098 36.536 ( 1.196 0.439 3.468) 3.695 37.922 ( -28.930 7.661 9.342) 31.351 38.325 ( 28.535 12.406 -1.610) 31.157 ======================= Grid point 200 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -0.999 -11.860 -16.448) 20.302 2.202 ( 1.673 -8.409 -18.389) 20.289 2.303 ( -9.843 -15.624 0.353) 18.469 2.346 ( 14.934 -13.721 6.236) 21.217 2.508 ( 8.935 -16.591 0.997) 18.871 2.632 ( 0.848 2.666 6.446) 7.026 2.782 ( -6.109 3.693 -6.773) 9.840 2.943 ( 1.981 -5.556 -4.865) 7.646 3.280 ( -4.977 5.163 -8.053) 10.783 3.397 ( -0.895 2.668 4.952) 5.696 3.523 ( 1.000 0.041 3.764) 3.895 3.623 ( 8.070 7.612 4.836) 12.101 3.757 ( -4.367 0.113 -0.835) 4.447 3.982 ( -2.111 -1.910 -0.217) 2.855 4.149 ( 1.964 0.403 -0.046) 2.006 4.405 ( 0.228 -0.138 7.758) 7.763 4.729 ( -3.786 7.288 -0.831) 8.255 4.865 ( -10.898 0.894 0.021) 10.935 4.976 ( -1.906 5.242 -2.790) 6.236 5.049 ( 3.759 -4.037 1.195) 5.644 5.136 ( -5.122 0.098 -0.741) 5.176 5.402 ( 6.846 -1.486 1.998) 7.285 5.474 ( 4.641 -1.071 3.569) 5.952 5.663 ( 0.050 -2.420 -2.557) 3.521 5.756 ( 1.362 -0.139 0.708) 1.541 5.890 ( 10.286 -6.731 5.103) 13.309 6.174 ( -9.310 2.929 -8.281) 12.799 6.249 ( -4.751 0.238 2.205) 5.243 6.440 ( 5.809 1.228 3.422) 6.852 6.492 ( 2.555 5.142 3.094) 6.523 7.883 ( 2.068 3.662 0.853) 4.291 7.912 ( -5.527 2.665 -1.370) 6.288 8.221 ( -2.788 4.351 -2.477) 5.731 8.545 ( 2.069 0.220 -0.961) 2.291 8.910 ( -2.955 0.635 -0.950) 3.168 9.125 ( -3.564 0.516 -1.004) 3.738 9.206 ( 3.417 -3.417 2.076) 5.260 9.325 ( 5.472 -7.550 -2.506) 9.655 9.430 ( 7.032 0.605 4.569) 8.407 9.478 ( 2.331 -1.798 1.732) 3.416 9.838 ( -4.505 0.160 -5.549) 7.149 9.907 ( -0.846 1.995 -0.852) 2.329 10.225 ( 1.947 8.605 1.048) 8.885 10.254 ( 0.746 3.196 1.136) 3.473 10.604 ( 0.134 2.516 5.235) 5.810 10.663 ( 4.524 6.832 -4.618) 9.406 11.184 ( -4.580 3.099 3.738) 6.675 11.319 ( 3.151 -5.675 -2.853) 7.091 11.382 ( 4.818 -0.076 -0.709) 4.871 11.447 ( 1.267 -0.277 -3.012) 3.279 11.679 ( 1.766 5.388 -0.829) 5.731 11.696 ( 5.884 1.344 1.299) 6.174 12.200 ( -4.810 3.132 -3.151) 6.548 12.341 ( -4.397 -3.057 2.864) 6.073 12.469 ( 0.314 -0.651 -2.085) 2.207 12.574 ( -1.227 5.495 1.346) 5.789 12.683 ( -4.660 6.751 0.036) 8.203 12.867 ( 3.000 1.872 2.208) 4.169 13.442 ( -4.812 -2.762 0.155) 5.551 13.467 ( 0.051 3.638 -0.210) 3.644 13.507 ( 1.228 -1.533 -1.635) 2.556 13.764 ( 10.519 -5.597 6.196) 13.430 14.352 ( -11.551 -0.056 -11.505) 16.303 14.626 ( -0.321 -3.984 -0.584) 4.039 14.982 ( -2.299 -4.788 -0.688) 5.355 15.200 ( 2.997 -8.333 4.461) 9.916 15.382 ( -4.899 -10.417 7.141) 13.547 15.415 ( -0.749 -11.315 0.816) 11.369 16.010 ( -0.845 -5.429 -8.426) 10.059 16.210 ( 5.108 2.613 1.985) 6.071 16.476 ( -0.915 6.342 -1.300) 6.538 16.591 ( -1.704 -2.724 8.331) 8.930 17.030 ( -3.381 -5.040 -1.708) 6.305 17.163 ( 0.537 -4.996 1.497) 5.243 17.394 ( -1.259 -4.610 -2.386) 5.341 17.518 ( 3.887 -1.585 0.372) 4.214 20.023 ( -2.439 -5.654 -5.204) 8.063 20.127 ( -1.265 0.667 -0.025) 1.430 20.754 ( 0.494 9.891 -1.521) 10.019 20.788 ( -0.204 10.463 1.435) 10.563 22.359 ( -3.290 -11.778 5.094) 13.248 22.405 ( 5.930 -10.015 -3.677) 12.206 23.187 ( -1.013 8.236 2.511) 8.670 23.227 ( 2.986 6.817 -0.072) 7.443 27.375 ( -1.414 -19.287 -4.054) 19.759 27.582 ( -0.792 -25.076 11.083) 27.427 28.956 ( -4.974 20.567 -1.730) 21.231 29.171 ( 7.257 16.517 -1.724) 18.123 30.798 ( -6.472 -8.126 -3.759) 11.048 30.910 ( -1.903 -5.746 3.772) 7.132 31.024 ( -16.322 -9.296 -1.733) 18.863 31.380 ( -0.792 -2.810 -5.726) 6.427 31.661 ( 5.158 3.206 1.469) 6.249 31.705 ( 3.774 3.534 3.373) 6.173 31.803 ( -6.529 5.707 0.563) 8.690 32.122 ( 20.824 0.268 -9.944) 23.078 32.956 ( -0.687 -10.245 -5.716) 11.752 33.109 ( 4.216 -10.299 -1.654) 11.250 33.603 ( 0.263 5.241 -0.689) 5.293 33.661 ( -0.894 4.143 4.911) 6.487 35.457 ( -1.266 -1.653 -0.351) 2.112 35.484 ( 0.511 -2.035 -0.531) 2.165 35.850 ( 3.216 -3.531 -4.967) 6.891 35.931 ( -1.469 -4.208 5.960) 7.442 36.430 ( -4.206 -3.186 -1.567) 5.504 36.534 ( -1.556 0.579 0.073) 1.662 37.645 ( -20.706 8.284 13.901) 26.279 38.201 ( 21.272 19.169 -5.744) 29.205 ======================= Grid point 201 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 0.022 -7.195 -11.413) 13.492 2.168 ( 2.816 -1.015 -9.731) 10.181 2.269 ( -11.820 1.322 -7.561) 14.094 2.629 ( -0.033 0.996 3.239) 3.389 2.652 ( 3.057 -6.955 0.662) 7.626 2.715 ( -6.318 -8.273 0.744) 10.436 2.960 ( -2.865 -9.926 2.657) 10.667 3.087 ( 4.787 -3.776 1.820) 6.363 3.128 ( 3.053 -2.722 -10.554) 11.319 3.467 ( 6.891 1.141 3.740) 7.923 3.560 ( 2.103 -7.913 -0.068) 8.188 3.680 ( 3.453 3.036 -0.282) 4.607 3.761 ( 7.018 -6.412 8.114) 12.498 3.910 ( -5.599 3.786 -0.011) 6.759 4.171 ( 6.192 2.186 -0.738) 6.608 4.414 ( -4.881 -0.493 2.317) 5.425 4.628 ( 0.884 2.487 -1.835) 3.215 4.747 ( -12.893 2.192 0.323) 13.082 4.841 ( 1.102 7.139 0.522) 7.243 5.069 ( -1.615 3.394 0.158) 3.762 5.147 ( 7.256 -0.163 4.880) 8.746 5.397 ( -7.034 0.883 -4.176) 8.228 5.512 ( 8.762 3.645 3.579) 10.142 5.669 ( -2.019 1.309 -0.415) 2.442 5.775 ( 1.864 -2.220 -2.294) 3.697 6.006 ( -8.830 -0.066 -1.240) 8.917 6.082 ( 3.649 -1.485 -0.484) 3.969 6.283 ( 0.991 -4.054 0.542) 4.208 6.476 ( 2.435 1.305 4.765) 5.508 6.486 ( 2.318 -0.781 2.182) 3.278 7.786 ( -3.693 3.339 -0.937) 5.066 7.860 ( -1.058 0.488 -0.462) 1.254 8.110 ( -4.511 3.695 -2.641) 6.401 8.522 ( 0.266 1.593 -4.206) 4.505 8.970 ( 6.817 -4.112 4.412) 9.102 9.070 ( -3.805 -0.021 -0.601) 3.852 9.296 ( 3.299 -0.899 2.502) 4.237 9.433 ( 6.191 1.133 -1.698) 6.518 9.489 ( 0.394 -0.825 -0.346) 0.977 9.500 ( -1.100 0.686 1.701) 2.139 9.770 ( -5.047 -3.211 -4.551) 7.516 9.898 ( 0.787 0.102 2.507) 2.629 10.080 ( 0.257 8.136 0.443) 8.152 10.264 ( 1.916 -2.274 3.610) 4.677 10.532 ( 3.600 6.460 -4.015) 8.415 10.560 ( -2.277 4.680 -1.905) 5.542 11.132 ( -2.031 1.208 1.311) 2.703 11.314 ( 4.899 5.270 -4.555) 8.516 11.421 ( 1.774 -3.340 -1.917) 4.240 11.475 ( -2.800 -4.441 2.401) 5.773 11.612 ( 4.878 5.147 -0.910) 7.150 11.811 ( 4.422 -4.788 2.656) 7.038 12.123 ( -3.885 -0.428 -0.092) 3.910 12.376 ( -2.685 6.956 -3.563) 8.263 12.463 ( -0.336 -7.800 1.758) 8.003 12.502 ( -3.882 1.636 -0.661) 4.264 12.625 ( 1.731 -1.248 5.202) 5.623 12.836 ( 3.336 6.272 1.424) 7.246 13.378 ( 1.424 3.240 -1.380) 3.798 13.458 ( -4.256 -0.993 1.955) 4.787 13.584 ( -1.279 -7.125 -1.500) 7.392 13.882 ( 5.271 4.416 2.051) 7.176 14.243 ( -4.361 -3.227 -7.704) 9.423 14.656 ( -2.461 -1.283 -0.689) 2.859 15.083 ( 0.253 -6.985 1.020) 7.063 15.390 ( 1.511 -6.385 4.808) 8.134 15.402 ( -1.789 4.989 0.523) 5.326 15.587 ( 1.348 -6.448 3.387) 7.408 16.067 ( -2.972 -4.377 -6.865) 8.667 16.247 ( 3.132 1.238 3.086) 4.568 16.340 ( -0.097 1.563 -4.507) 4.772 16.689 ( -1.762 -2.301 9.085) 9.536 17.070 ( -2.524 -2.245 -0.519) 3.417 17.257 ( 0.378 -4.388 1.514) 4.657 17.415 ( -0.663 -0.035 -3.166) 3.235 17.567 ( 1.470 -1.478 0.377) 2.118 20.099 ( -2.104 -4.509 -2.721) 5.671 20.123 ( -1.740 -4.803 -2.437) 5.660 20.572 ( -1.008 10.160 2.111) 10.426 20.630 ( 2.180 7.197 -0.907) 7.574 22.580 ( -0.546 -11.393 1.996) 11.579 22.614 ( 2.975 -10.772 -1.273) 11.247 23.032 ( -1.680 9.297 2.496) 9.772 23.111 ( 2.104 8.101 -0.410) 8.380 27.707 ( -1.269 -21.321 -3.590) 21.658 28.065 ( -2.836 -20.841 12.259) 24.345 28.534 ( -4.692 20.135 -0.318) 20.676 28.894 ( 8.229 18.717 -4.718) 20.983 30.918 ( -2.669 -9.764 -1.831) 10.286 31.031 ( -4.049 -6.907 3.299) 8.659 31.081 ( -4.454 -6.491 -0.027) 7.872 31.369 ( -0.820 -0.514 -5.882) 5.961 31.516 ( 2.443 10.927 1.398) 11.284 31.579 ( -1.502 7.643 -1.974) 8.036 31.887 ( -3.638 -7.332 8.083) 11.503 32.204 ( 15.563 1.101 -10.391) 18.745 33.088 ( 0.106 -7.962 -4.513) 9.153 33.290 ( 1.515 -8.215 -1.846) 8.555 33.493 ( -1.169 6.853 2.607) 7.425 33.605 ( 0.340 3.969 2.236) 4.569 35.473 ( -0.923 -1.134 -0.352) 1.504 35.520 ( 0.316 -1.684 -0.390) 1.757 35.903 ( 2.550 -2.065 -2.341) 4.031 36.003 ( -0.334 -1.696 2.272) 2.855 36.462 ( -6.387 -2.827 5.046) 8.617 36.512 ( 0.408 -1.229 -5.762) 5.905 37.480 ( -11.105 4.554 11.965) 16.947 37.977 ( 12.539 14.402 -7.301) 20.444 ======================= Grid point 202 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 0.000 0.000 0.000) 0.000 2.132 ( -0.000 0.000 0.000) 0.000 2.210 ( 0.000 -0.000 0.000) 0.000 2.628 ( -0.000 0.000 0.000) 0.000 2.732 ( -0.000 0.000 0.000) 0.000 2.754 ( -0.000 0.000 -0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.060 ( -0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.479 ( -0.000 0.000 -0.000) 0.000 3.598 ( -0.000 -0.000 -0.000) 0.000 3.756 ( -0.000 0.000 0.000) 0.000 3.840 ( -0.000 0.000 0.000) 0.000 3.929 ( -0.000 0.000 0.000) 0.000 4.161 ( -0.000 0.000 0.000) 0.000 4.403 ( -0.000 0.000 -0.000) 0.000 4.614 ( 0.000 -0.000 0.000) 0.000 4.631 ( -0.000 0.000 0.000) 0.000 4.788 ( -0.000 0.000 0.000) 0.000 5.031 ( -0.000 0.000 0.000) 0.000 5.238 ( -0.000 0.000 -0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 5.523 ( -0.000 0.000 0.000) 0.000 5.641 ( -0.000 0.000 -0.000) 0.000 5.800 ( -0.000 0.000 0.000) 0.000 5.965 ( -0.000 0.000 0.000) 0.000 6.105 ( -0.000 0.000 0.000) 0.000 6.336 ( 0.000 0.000 -0.000) 0.000 6.498 ( 0.000 0.000 -0.000) 0.000 6.513 ( -0.000 0.000 0.000) 0.000 7.745 ( 0.000 0.000 0.000) 0.000 7.848 ( -0.000 0.000 -0.000) 0.000 8.038 ( -0.000 0.000 0.000) 0.000 8.487 ( -0.000 0.000 0.000) 0.000 9.055 ( -0.000 0.000 0.000) 0.000 9.096 ( -0.000 0.000 0.000) 0.000 9.319 ( -0.000 0.000 0.000) 0.000 9.408 ( -0.000 -0.000 -0.000) 0.000 9.451 ( 0.000 0.000 -0.000) 0.000 9.508 ( -0.000 0.000 0.000) 0.000 9.841 ( 0.000 0.000 0.000) 0.000 9.860 ( -0.000 -0.000 -0.000) 0.000 10.008 ( -0.000 0.000 0.000) 0.000 10.386 ( -0.000 0.000 -0.000) 0.000 10.413 ( 0.000 -0.000 0.000) 0.000 10.474 ( 0.000 0.000 -0.000) 0.000 11.119 ( -0.000 0.000 0.000) 0.000 11.272 ( 0.000 0.000 -0.000) 0.000 11.458 ( -0.000 0.000 0.000) 0.000 11.532 ( 0.000 0.000 0.000) 0.000 11.564 ( -0.000 0.000 0.000) 0.000 11.884 ( -0.000 0.000 0.000) 0.000 12.168 ( -0.000 -0.000 0.000) 0.000 12.224 ( -0.000 0.000 -0.000) 0.000 12.442 ( -0.000 0.000 0.000) 0.000 12.617 ( -0.000 0.000 0.000) 0.000 12.693 ( -0.000 0.000 0.000) 0.000 12.726 ( -0.000 0.000 0.000) 0.000 13.357 ( -0.000 0.000 -0.000) 0.000 13.453 ( -0.000 0.000 0.000) 0.000 13.684 ( -0.000 -0.000 0.000) 0.000 13.795 ( 0.000 0.000 0.000) 0.000 14.262 ( -0.000 0.000 0.000) 0.000 14.651 ( -0.000 0.000 0.000) 0.000 15.212 ( -0.000 0.000 0.000) 0.000 15.274 ( 0.000 -0.000 0.000) 0.000 15.473 ( -0.000 0.000 0.000) 0.000 15.690 ( -0.000 0.000 0.000) 0.000 16.036 ( 0.000 0.000 0.000) 0.000 16.216 ( -0.000 -0.000 0.000) 0.000 16.380 ( -0.000 0.000 0.000) 0.000 16.724 ( 0.000 -0.000 -0.000) 0.000 17.075 ( -0.000 0.000 0.000) 0.000 17.324 ( -0.000 0.000 0.000) 0.000 17.379 ( -0.000 0.000 0.000) 0.000 17.590 ( -0.000 0.000 0.000) 0.000 20.111 ( -0.000 0.000 0.000) 0.000 20.193 ( -0.000 0.000 0.000) 0.000 20.458 ( -0.000 0.000 0.000) 0.000 20.569 ( -0.000 0.000 0.000) 0.000 22.713 ( -0.000 0.000 -0.000) 0.000 22.772 ( -0.000 -0.000 0.000) 0.000 22.899 ( -0.000 0.000 0.000) 0.000 23.017 ( -0.000 0.000 -0.000) 0.000 28.070 ( 0.000 0.003 0.000) 0.003 28.070 ( -0.000 -0.003 -0.000) 0.003 28.447 ( -0.000 -0.000 0.000) 0.000 28.649 ( 0.000 0.000 0.000) 0.000 31.012 ( -0.000 0.000 0.000) 0.000 31.083 ( 0.000 0.000 0.000) 0.000 31.155 ( 0.000 0.000 -0.000) 0.000 31.339 ( -0.000 -0.000 -0.000) 0.000 31.417 ( 0.000 0.000 0.000) 0.000 31.479 ( -0.000 0.000 0.000) 0.000 31.976 ( 0.000 0.000 0.000) 0.000 32.215 ( -0.000 0.000 0.000) 0.000 33.163 ( -0.000 0.000 0.000) 0.000 33.381 ( -0.000 -0.000 -0.000) 0.000 33.410 ( 0.000 0.000 0.000) 0.000 33.568 ( -0.000 0.000 0.000) 0.000 35.478 ( -0.000 0.000 0.000) 0.000 35.536 ( 0.000 0.000 -0.000) 0.000 35.929 ( -0.000 0.000 0.000) 0.000 36.018 ( -0.000 0.000 0.000) 0.000 36.471 ( -0.000 0.000 0.000) 0.000 36.519 ( 0.000 0.000 -0.000) 0.000 37.434 ( -0.000 0.000 0.000) 0.000 37.865 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 208 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 6.223 -0.000 -21.965) 22.829 1.641 ( 13.768 -0.000 -25.304) 28.807 1.846 ( 13.427 -0.000 15.759) 20.704 2.155 ( 11.874 -0.000 15.183) 19.274 2.447 ( 10.130 -0.000 -26.545) 28.412 2.710 ( -5.234 0.000 8.059) 9.610 3.003 ( -0.571 0.000 -0.433) 0.717 3.082 ( -0.561 0.000 -1.175) 1.302 3.377 ( -17.502 0.000 -3.456) 17.840 3.468 ( -13.482 0.000 1.005) 13.519 3.551 ( -4.974 0.000 -1.907) 5.327 3.634 ( 0.836 -0.000 1.838) 2.019 3.814 ( 1.591 -0.000 0.711) 1.743 3.829 ( 3.038 -0.000 4.174) 5.163 4.155 ( -1.509 0.000 -1.210) 1.934 4.365 ( -1.113 0.000 3.662) 3.827 4.789 ( -7.946 0.000 -1.692) 8.124 4.889 ( -1.129 0.000 2.342) 2.600 4.927 ( -5.604 0.000 -3.764) 6.751 4.988 ( -1.935 0.000 -8.259) 8.483 5.121 ( -2.078 0.000 4.914) 5.336 5.332 ( 9.137 -0.000 1.268) 9.224 5.482 ( 14.311 -0.000 7.847) 16.321 5.605 ( 10.817 -0.000 12.118) 16.244 5.703 ( -1.178 0.000 -2.667) 2.916 5.843 ( -3.703 0.000 -0.200) 3.708 6.258 ( -1.922 0.000 1.443) 2.403 6.265 ( -4.126 0.000 -9.249) 10.127 6.531 ( 5.258 -0.000 5.680) 7.741 6.628 ( 2.751 -0.000 1.277) 3.033 7.920 ( -2.912 0.000 -0.084) 2.913 8.057 ( 5.965 -0.000 6.837) 9.073 8.370 ( -2.188 0.000 -2.873) 3.612 8.523 ( -4.721 0.000 -3.378) 5.805 8.956 ( -3.750 0.000 -0.890) 3.854 8.966 ( 4.216 -0.000 5.515) 6.942 9.183 ( 6.534 -0.000 -7.183) 9.710 9.222 ( -0.228 0.000 -5.561) 5.566 9.412 ( 4.066 -0.000 6.733) 7.865 9.464 ( 2.927 -0.000 3.822) 4.814 9.847 ( 5.036 -0.000 -7.991) 9.446 9.896 ( -5.014 0.000 1.477) 5.227 10.369 ( -0.955 0.000 0.630) 1.144 10.409 ( -3.203 0.000 -7.491) 8.147 10.664 ( 5.893 -0.000 13.037) 14.307 10.817 ( 5.547 -0.000 -3.452) 6.533 11.104 ( 2.259 -0.000 -1.162) 2.541 11.257 ( -2.032 0.000 11.262) 11.444 11.392 ( 1.632 -0.000 3.608) 3.960 11.438 ( 8.923 -0.000 -3.438) 9.563 11.782 ( 3.028 -0.000 -2.974) 4.244 11.901 ( 6.833 -0.000 -6.738) 9.596 12.245 ( -8.319 0.000 -7.374) 11.117 12.356 ( -8.968 0.000 4.100) 9.861 12.490 ( -6.939 0.000 -2.117) 7.254 12.734 ( -6.051 0.000 1.602) 6.259 12.889 ( 0.087 -0.000 2.537) 2.539 12.921 ( 5.445 -0.000 -0.899) 5.519 13.352 ( -0.048 0.000 1.058) 1.059 13.501 ( -2.226 0.000 1.276) 2.566 13.530 ( 5.702 -0.000 3.459) 6.669 13.578 ( 5.048 -0.000 0.988) 5.144 14.492 ( -2.130 0.000 -0.493) 2.186 14.511 ( -16.577 0.000 -6.423) 17.777 14.554 ( -10.614 0.000 -6.245) 12.315 14.950 ( 2.829 -0.000 -1.919) 3.418 14.976 ( -1.400 0.000 5.707) 5.876 15.161 ( 2.750 -0.000 -1.787) 3.280 15.882 ( -5.809 0.000 -8.929) 10.652 16.349 ( 10.221 -0.000 2.866) 10.615 16.595 ( 0.577 -0.000 3.638) 3.683 16.625 ( 1.571 -0.000 0.987) 1.856 16.943 ( -1.873 0.000 0.502) 1.939 16.982 ( -0.146 0.000 -1.021) 1.032 17.246 ( -3.155 0.000 -1.743) 3.605 17.486 ( 6.959 -0.000 0.642) 6.988 19.921 ( -5.421 0.000 -6.181) 8.221 20.190 ( 2.335 -0.000 1.996) 3.072 20.977 ( -0.036 0.000 -2.949) 2.949 21.022 ( -1.290 0.000 2.085) 2.452 22.106 ( -4.454 0.000 6.006) 7.477 22.198 ( 7.326 -0.000 -3.025) 7.926 23.361 ( 4.120 -0.000 -3.417) 5.352 23.370 ( -1.705 0.000 4.559) 4.868 26.974 ( -0.064 0.000 -0.176) 0.188 26.974 ( -0.155 0.000 0.050) 0.163 29.422 ( -0.363 0.000 -0.794) 0.873 29.499 ( 4.528 -0.000 -0.818) 4.601 30.608 ( -30.490 0.000 -7.818) 31.477 30.775 ( -1.963 0.000 0.704) 2.085 30.843 ( -4.919 0.000 3.190) 5.863 31.287 ( -0.021 0.000 -7.236) 7.236 31.528 ( -0.482 0.000 3.661) 3.693 31.846 ( 21.070 -0.000 -2.796) 21.254 32.107 ( 4.663 -0.000 -9.422) 10.513 32.173 ( 0.797 -0.000 -0.484) 0.932 32.663 ( -1.757 0.000 -1.611) 2.384 32.845 ( 12.852 -0.000 -9.284) 15.854 33.697 ( 2.829 -0.000 -4.174) 5.042 33.751 ( -3.487 0.000 8.694) 9.367 35.420 ( -2.859 0.000 2.058) 3.523 35.442 ( 2.166 -0.000 -2.815) 3.552 35.755 ( 3.459 -0.000 -5.380) 6.396 35.824 ( -2.329 0.000 7.363) 7.722 36.375 ( -4.460 0.000 -4.931) 6.649 36.561 ( -1.407 0.000 2.480) 2.851 37.837 ( -25.944 0.000 14.051) 29.505 38.668 ( 23.831 -0.000 3.693) 24.115 ======================= Grid point 209 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 9.862 -13.442 -18.031) 24.557 1.767 ( 13.902 -17.312 -23.823) 32.566 2.097 ( 4.579 -5.397 8.852) 11.334 2.395 ( 16.850 -6.403 7.828) 19.652 2.409 ( 12.830 -2.900 -15.318) 20.190 2.687 ( -5.513 0.073 3.288) 6.420 2.833 ( -6.824 12.154 -5.897) 15.135 2.947 ( 0.074 7.302 -4.372) 8.511 3.253 ( -8.127 -0.294 -1.590) 8.286 3.388 ( -9.759 -2.394 2.772) 10.424 3.582 ( 1.376 -0.358 4.718) 4.927 3.658 ( -2.955 -4.012 -1.910) 5.336 3.790 ( -1.090 3.941 3.736) 5.539 3.895 ( -2.791 -3.328 1.387) 4.559 4.160 ( 3.780 -0.812 -0.420) 3.889 4.386 ( -5.324 -3.426 2.225) 6.711 4.741 ( -13.893 -1.645 2.844) 14.276 4.832 ( -3.571 5.520 0.646) 6.606 4.917 ( 0.243 -2.870 -3.333) 4.405 5.030 ( 3.480 -5.800 -1.324) 6.892 5.124 ( -1.095 1.526 5.503) 5.815 5.400 ( 5.199 -0.792 0.150) 5.262 5.607 ( 10.384 1.501 2.151) 10.710 5.665 ( 2.690 1.583 0.926) 3.256 5.727 ( -4.618 -1.080 1.549) 4.989 5.886 ( 8.109 -5.372 6.015) 11.436 6.148 ( -2.196 4.778 -7.987) 9.562 6.250 ( -1.745 1.094 2.566) 3.290 6.562 ( 5.283 3.913 3.982) 7.686 6.610 ( 1.494 4.103 2.202) 4.891 7.862 ( -4.592 1.736 -4.980) 6.993 8.067 ( 4.764 7.596 4.927) 10.231 8.290 ( -2.251 4.869 0.020) 5.364 8.476 ( -6.617 -3.026 -6.623) 9.839 8.913 ( -1.843 0.250 2.920) 3.462 9.081 ( -1.435 -3.420 2.656) 4.562 9.198 ( 2.630 0.302 -1.984) 3.308 9.245 ( 10.651 -3.843 -2.898) 11.688 9.461 ( 0.940 -0.304 1.052) 1.444 9.528 ( 4.909 -0.824 5.491) 7.411 9.830 ( 2.464 1.985 -4.362) 5.389 9.889 ( -1.009 -1.612 -2.533) 3.167 10.280 ( -5.243 3.262 -7.813) 9.959 10.339 ( -1.222 2.182 -0.102) 2.503 10.737 ( 5.222 5.886 10.742) 13.316 10.795 ( 5.736 5.050 -4.915) 9.086 11.206 ( 1.202 -6.941 2.177) 7.373 11.256 ( -2.202 3.871 6.421) 7.814 11.416 ( 0.957 0.407 2.474) 2.684 11.493 ( 10.318 0.331 -2.495) 10.620 11.776 ( -0.352 8.480 -7.620) 11.406 11.809 ( 10.626 2.842 -0.196) 11.001 12.169 ( -5.004 -0.749 -6.002) 7.850 12.312 ( -6.368 2.080 5.744) 8.824 12.430 ( -1.074 -2.222 0.437) 2.506 12.655 ( -7.401 4.448 -1.814) 8.823 12.774 ( -2.584 9.265 -3.065) 10.095 12.898 ( -1.145 0.105 2.552) 2.799 13.366 ( -1.526 -0.544 2.008) 2.580 13.483 ( -1.391 0.124 0.755) 1.588 13.562 ( 2.737 1.833 -2.579) 4.184 13.755 ( 10.167 -8.644 5.648) 14.490 14.241 ( -9.571 3.532 -6.462) 12.077 14.553 ( -0.859 -2.766 0.063) 2.897 14.786 ( -5.722 -20.466 1.195) 21.284 15.056 ( 0.116 -10.940 3.662) 11.537 15.096 ( -0.670 -11.289 5.921) 12.765 15.230 ( -0.781 -7.594 -2.168) 7.935 15.845 ( -2.944 -5.330 -9.904) 11.626 16.352 ( 4.892 5.772 -0.201) 7.569 16.560 ( -0.533 3.815 3.758) 5.381 16.639 ( 1.697 3.666 3.125) 5.107 16.924 ( -1.459 -2.462 -0.337) 2.882 17.066 ( -0.311 -6.250 0.734) 6.300 17.279 ( -0.734 -5.401 -1.664) 5.700 17.536 ( 4.604 -0.404 -0.804) 4.691 19.880 ( -3.824 -3.613 -6.081) 8.041 20.159 ( -1.965 3.637 -1.207) 4.307 20.898 ( 0.522 6.523 -2.691) 7.075 20.952 ( -1.650 7.127 1.655) 7.500 22.185 ( -3.135 -7.785 6.187) 10.427 22.293 ( 6.563 -5.863 -2.633) 9.185 23.324 ( 0.853 5.431 0.749) 5.549 23.344 ( 1.088 3.977 0.911) 4.222 27.075 ( -0.101 -11.382 -1.139) 11.439 27.185 ( -2.134 -21.184 5.294) 21.939 29.248 ( -2.832 15.882 -2.110) 16.270 29.443 ( 5.286 9.537 -2.237) 11.131 30.492 ( -13.231 -11.603 -5.890) 18.557 30.807 ( -3.131 -4.332 2.096) 5.741 30.860 ( -2.920 -2.846 3.399) 5.308 31.282 ( -1.004 -3.713 -5.191) 6.461 31.589 ( -2.755 -5.562 3.882) 7.320 31.883 ( 5.101 7.152 -0.269) 8.789 31.970 ( 4.020 11.203 -6.678) 13.648 32.197 ( 13.778 -1.296 -10.756) 17.528 32.747 ( 1.185 -9.087 -4.553) 10.232 32.958 ( 8.203 -7.706 -8.302) 13.985 33.676 ( 3.003 2.549 -3.041) 4.976 33.746 ( -3.665 2.797 8.697) 9.844 35.420 ( -1.943 -1.112 0.937) 2.427 35.454 ( 1.366 -1.257 -1.745) 2.548 35.787 ( 4.440 -3.275 -5.219) 7.594 35.876 ( -3.054 -3.251 6.931) 8.242 36.334 ( -4.120 -2.119 -3.249) 5.658 36.532 ( -4.906 1.297 0.367) 5.088 37.709 ( -18.106 5.148 19.201) 26.888 38.674 ( 15.801 17.009 -1.147) 23.244 ======================= Grid point 210 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 12.434 -9.539 -13.189) 20.482 2.000 ( 5.895 -9.977 -21.858) 24.740 2.104 ( -15.646 0.714 1.273) 15.714 2.549 ( -10.856 -4.560 -6.217) 13.315 2.612 ( 6.587 -8.045 -7.385) 12.754 2.680 ( 15.982 -2.461 2.423) 16.351 2.733 ( 3.718 -3.888 4.489) 7.006 2.994 ( 10.971 -11.755 -3.798) 16.522 3.188 ( -1.002 4.469 4.721) 6.578 3.420 ( -2.867 -4.341 2.581) 5.808 3.603 ( 4.888 3.741 3.944) 7.310 3.701 ( -1.661 -2.943 -0.318) 3.394 3.739 ( -2.772 -0.397 2.408) 3.693 3.916 ( -2.576 -1.803 0.862) 3.260 4.224 ( 3.856 -0.865 0.174) 3.956 4.393 ( -5.082 -0.090 1.358) 5.261 4.672 ( -9.937 0.782 4.677) 11.010 4.707 ( -0.596 4.606 -0.853) 4.722 4.901 ( -4.780 1.434 -3.190) 5.923 5.101 ( -1.079 1.544 2.389) 3.043 5.190 ( 3.156 -4.413 5.874) 7.997 5.383 ( -3.790 3.003 -0.824) 4.905 5.626 ( -0.039 -0.794 -2.743) 2.856 5.676 ( 2.596 3.003 -0.184) 3.974 5.734 ( 3.221 -1.714 -0.036) 3.648 5.981 ( -2.304 5.556 -5.925) 8.443 6.082 ( 7.749 -3.149 2.895) 8.851 6.237 ( -1.083 -0.309 2.599) 2.833 6.537 ( 1.660 3.187 2.905) 4.620 6.576 ( 2.897 3.229 4.701) 6.397 7.764 ( -2.820 1.540 -4.776) 5.756 7.976 ( 3.905 7.589 4.415) 9.609 8.156 ( -4.605 6.125 -1.269) 7.767 8.442 ( -6.861 -3.536 -9.078) 11.916 8.971 ( 3.273 -3.142 4.722) 6.548 9.059 ( -2.357 2.055 0.407) 3.153 9.288 ( 4.202 -4.751 1.438) 6.503 9.379 ( 3.049 -4.052 -3.107) 5.947 9.460 ( -1.104 -1.023 -0.612) 1.625 9.594 ( 5.471 2.761 5.009) 7.915 9.750 ( -2.134 4.523 -2.590) 5.632 9.898 ( 1.379 -1.894 -3.463) 4.181 10.167 ( -1.551 2.931 -3.867) 5.094 10.308 ( 1.860 0.887 3.159) 3.771 10.656 ( -0.392 8.769 -0.915) 8.825 10.681 ( 3.983 7.895 -3.550) 9.529 11.170 ( -2.386 3.693 2.307) 4.965 11.333 ( -0.871 -3.920 0.353) 4.031 11.429 ( -0.830 -0.787 1.285) 1.720 11.445 ( 4.731 7.611 -7.926) 11.964 11.689 ( 3.345 -1.053 -0.839) 3.605 11.863 ( 12.423 2.727 3.471) 13.184 12.119 ( -2.783 0.894 -0.695) 3.004 12.272 ( -5.810 -4.082 1.542) 7.266 12.471 ( -1.143 6.630 -3.789) 7.721 12.544 ( -1.538 0.550 2.130) 2.684 12.656 ( 0.576 0.272 4.533) 4.578 12.891 ( -2.445 0.191 1.248) 2.752 13.376 ( -4.784 -2.149 2.310) 5.731 13.475 ( 0.633 5.194 -4.628) 6.986 13.519 ( 2.694 -1.683 3.043) 4.399 14.021 ( 9.725 -9.411 2.219) 13.714 14.089 ( -3.769 5.667 -2.774) 7.350 14.594 ( -1.371 -2.230 -2.067) 3.335 14.988 ( 2.059 -6.764 1.098) 7.155 15.262 ( -2.506 -9.263 3.621) 10.257 15.386 ( -2.131 -9.173 5.092) 10.706 15.420 ( -1.878 -13.535 5.488) 14.726 15.900 ( -1.212 -8.296 -7.487) 11.240 16.279 ( 3.131 3.634 -3.899) 6.181 16.468 ( -0.152 8.268 2.592) 8.666 16.637 ( -4.067 -3.355 7.268) 8.979 16.995 ( -0.462 -4.344 1.019) 4.486 17.170 ( -0.902 -5.525 0.567) 5.627 17.359 ( 0.459 -3.996 -2.236) 4.602 17.561 ( 2.062 -0.443 -1.559) 2.623 19.926 ( -1.814 -7.497 -5.612) 9.539 20.064 ( -4.595 1.149 -2.561) 5.385 20.752 ( 0.926 8.888 -0.911) 8.982 20.793 ( -0.565 9.482 0.621) 9.519 22.378 ( -1.873 -11.614 5.325) 12.914 22.459 ( 5.164 -8.848 -2.602) 10.570 23.201 ( -1.326 8.779 2.750) 9.294 23.256 ( 1.126 6.774 -1.328) 6.995 27.335 ( 0.540 -17.917 -1.722) 18.008 27.649 ( -8.054 -26.970 10.847) 30.165 28.878 ( -1.610 20.675 -1.376) 20.783 29.226 ( 4.743 16.122 -5.514) 17.687 30.685 ( 1.254 -14.069 0.525) 14.135 30.897 ( -2.768 -6.486 3.453) 7.852 30.941 ( -1.910 -6.344 3.477) 7.483 31.325 ( 0.216 -2.904 -2.263) 3.688 31.671 ( -6.382 0.148 0.285) 6.390 31.749 ( 3.691 9.612 -3.780) 10.969 31.783 ( 0.586 3.044 4.120) 5.156 32.258 ( 14.654 -0.237 -16.666) 22.194 32.902 ( 1.763 -9.745 -4.951) 11.072 33.118 ( 1.607 -9.383 -4.806) 10.664 33.619 ( 2.258 5.113 -0.097) 5.590 33.699 ( -2.308 4.333 5.935) 7.702 35.438 ( -0.861 -1.676 0.230) 1.898 35.485 ( 0.703 -2.005 -0.871) 2.297 35.863 ( 4.260 -3.552 -3.707) 6.671 35.952 ( -2.526 -3.907 3.010) 5.541 36.359 ( -4.881 -4.987 1.692) 7.180 36.463 ( -4.964 0.492 -2.495) 5.578 37.600 ( -10.436 7.301 20.753) 24.350 38.365 ( 10.489 22.520 -10.378) 26.924 ======================= Grid point 211 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 12.071 -5.811 -4.164) 14.029 2.039 ( -7.742 -7.521 -0.148) 10.795 2.067 ( 2.765 -7.791 -14.722) 16.885 2.498 ( -11.577 -6.123 -5.439) 14.181 2.684 ( -2.298 -0.932 0.466) 2.523 2.766 ( 5.874 -1.772 5.154) 8.013 2.993 ( 5.948 -6.175 1.565) 8.716 3.125 ( 2.984 5.653 5.130) 8.196 3.290 ( 14.607 -6.105 -1.169) 15.875 3.538 ( -0.487 4.771 1.628) 5.065 3.547 ( -2.487 -10.482 -3.362) 11.285 3.705 ( 1.913 1.409 1.237) 2.679 3.841 ( -0.392 -4.446 4.208) 6.134 3.923 ( -1.412 0.761 -2.593) 3.049 4.169 ( -4.705 3.607 -0.317) 5.937 4.415 ( 6.520 -1.922 -0.599) 6.823 4.627 ( -4.711 0.682 4.743) 6.720 4.672 ( 2.509 1.701 1.975) 3.618 4.772 ( -6.248 3.321 -5.510) 8.968 5.070 ( -0.995 2.752 2.062) 3.580 5.186 ( -7.713 2.225 -1.558) 8.178 5.377 ( 5.351 1.325 8.942) 10.505 5.504 ( -8.734 4.633 -3.717) 10.562 5.663 ( -0.030 0.607 -1.768) 1.869 5.770 ( 2.882 -1.164 -2.952) 4.287 5.950 ( 3.006 -2.902 1.387) 4.402 6.119 ( 0.705 1.895 -0.347) 2.052 6.278 ( 0.716 -3.048 -4.329) 5.342 6.527 ( -0.521 0.944 2.816) 3.015 6.564 ( 1.385 3.673 3.750) 5.428 7.729 ( 0.704 -0.095 -1.941) 2.067 7.914 ( 2.779 4.240 1.975) 5.440 8.066 ( 1.645 1.570 3.224) 3.945 8.414 ( -5.811 -4.255 -5.196) 8.881 9.029 ( -3.159 -0.114 1.147) 3.363 9.064 ( -1.333 -2.945 -0.337) 3.250 9.295 ( -1.585 0.918 -6.083) 6.353 9.404 ( -3.132 0.095 -2.566) 4.051 9.488 ( 1.136 1.636 1.039) 2.246 9.562 ( 2.943 4.776 3.231) 6.474 9.706 ( 3.227 -3.549 -1.373) 4.990 9.948 ( 1.034 -3.108 -1.283) 3.518 10.087 ( 2.248 6.132 3.704) 7.508 10.386 ( 2.668 -2.499 3.708) 5.206 10.474 ( 0.686 7.203 -2.861) 7.781 10.538 ( 0.389 7.182 -2.977) 7.784 11.124 ( -1.235 0.947 0.908) 1.801 11.280 ( -2.472 2.999 -5.254) 6.535 11.412 ( -0.027 -2.889 -2.448) 3.787 11.457 ( -2.540 -2.354 1.382) 3.729 11.686 ( 7.379 5.237 -1.671) 9.201 11.945 ( 5.933 1.695 3.451) 7.070 12.108 ( 0.403 -2.901 3.818) 4.812 12.330 ( -1.026 6.133 -0.242) 6.222 12.395 ( -4.320 -8.941 -1.419) 10.030 12.449 ( -4.451 0.259 -0.690) 4.512 12.704 ( 1.102 2.323 1.757) 3.114 12.858 ( -0.179 4.756 0.041) 4.760 13.360 ( -2.671 1.070 0.525) 2.925 13.414 ( -0.821 -1.940 -1.920) 2.850 13.643 ( 6.249 -5.332 5.452) 9.860 13.936 ( 0.382 9.199 0.542) 9.223 14.235 ( 7.238 -5.448 -0.511) 9.074 14.590 ( -4.380 -2.259 -1.671) 5.204 15.138 ( 3.770 -6.740 1.883) 7.949 15.379 ( -5.302 -0.313 2.118) 5.718 15.398 ( -0.097 0.602 -0.460) 0.764 15.650 ( 0.518 -7.243 3.642) 8.124 15.965 ( -1.310 -2.500 -2.454) 3.740 16.278 ( 0.291 -5.429 -6.578) 8.533 16.361 ( 5.292 6.711 3.473) 9.225 16.702 ( -7.677 -2.245 6.125) 10.074 17.057 ( 0.767 -2.376 0.824) 2.629 17.259 ( -1.611 -5.064 -0.411) 5.329 17.392 ( 1.165 -0.218 -0.240) 1.209 17.573 ( 0.231 -0.957 -1.918) 2.156 20.037 ( -1.753 -7.007 -2.583) 7.671 20.062 ( -2.339 -6.829 -2.322) 7.583 20.589 ( -0.691 9.623 2.928) 10.082 20.643 ( 1.687 7.032 -2.181) 7.553 22.601 ( -0.175 -10.737 2.663) 11.064 22.644 ( 2.387 -9.449 -1.220) 9.822 23.035 ( -1.811 9.862 2.726) 10.391 23.111 ( 0.148 8.251 -2.578) 8.646 27.691 ( 2.662 -21.130 -0.893) 21.316 28.083 ( -11.650 -23.630 8.786) 27.772 28.498 ( 1.032 21.569 1.468) 21.644 28.898 ( 2.490 18.613 -9.414) 21.006 30.928 ( 3.524 -8.763 2.669) 9.815 31.027 ( -1.663 -7.014 4.275) 8.381 31.099 ( 2.525 -7.477 4.200) 8.940 31.331 ( 1.638 2.118 -2.463) 3.638 31.528 ( -1.438 6.374 -1.973) 6.825 31.590 ( 4.365 9.049 2.185) 10.282 31.880 ( -6.318 -6.975 4.188) 10.301 32.228 ( 6.215 2.183 -15.209) 16.574 33.064 ( 1.535 -8.788 -1.905) 9.122 33.243 ( -1.724 -7.309 -4.658) 8.837 33.539 ( 1.080 6.059 4.307) 7.512 33.627 ( -0.088 4.759 1.282) 4.929 35.466 ( 0.129 -1.443 0.455) 1.518 35.520 ( 0.313 -1.664 -0.548) 1.780 35.918 ( 1.225 -1.428 -0.742) 2.023 35.993 ( -1.332 -1.772 -1.291) 2.566 36.421 ( -3.070 -3.676 0.769) 4.851 36.462 ( -1.783 -4.847 -0.215) 5.169 37.521 ( -4.837 6.515 16.732) 18.596 38.005 ( 5.596 15.641 -12.668) 20.891 ======================= Grid point 212 (103/114) ======================= q-point: ( 0.62 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 9.485 -0.828 6.143) 11.331 2.131 ( -1.086 -4.453 -4.360) 6.326 2.257 ( 7.915 -10.337 3.950) 13.605 2.493 ( -9.501 -4.735 -6.607) 12.504 2.760 ( -2.468 -7.023 5.361) 9.173 2.812 ( 0.677 -1.076 6.214) 6.343 3.056 ( 3.191 7.193 1.900) 8.095 3.149 ( 12.484 -0.268 3.879) 13.076 3.335 ( 7.021 9.966 -4.786) 13.097 3.430 ( -4.312 5.511 -1.372) 7.131 3.588 ( 0.037 -0.929 -0.686) 1.156 3.675 ( -8.029 6.606 -1.704) 10.536 3.782 ( -6.806 5.194 -5.793) 10.337 3.896 ( 1.696 -1.835 0.886) 2.651 4.120 ( -3.134 0.600 3.719) 4.900 4.442 ( -0.752 1.796 -6.252) 6.548 4.609 ( -1.954 -0.042 3.208) 3.757 4.676 ( -5.602 -5.132 -1.631) 7.771 4.796 ( 11.956 -3.742 1.614) 12.631 4.998 ( -5.486 0.045 0.353) 5.498 5.140 ( 1.386 0.748 2.536) 2.985 5.365 ( -9.400 -0.006 -4.132) 10.268 5.465 ( 6.886 -1.940 3.752) 8.078 5.672 ( -0.726 -1.315 2.148) 2.622 5.793 ( 1.754 0.349 -0.414) 1.836 6.052 ( 4.027 -1.441 -1.792) 4.637 6.075 ( -1.899 -0.143 2.056) 2.802 6.269 ( -1.715 -0.947 -7.552) 7.802 6.493 ( -4.305 4.135 4.854) 7.694 6.503 ( 1.913 3.477 -3.566) 5.335 7.753 ( 3.263 -1.821 0.071) 3.737 7.905 ( 3.462 0.648 0.269) 3.532 8.131 ( 5.376 -1.182 5.999) 8.142 8.455 ( -4.303 -5.118 0.630) 6.716 8.952 ( -5.433 2.360 -4.522) 7.453 9.089 ( 0.612 -1.761 0.232) 1.878 9.265 ( -1.144 -0.602 -4.200) 4.394 9.330 ( -9.393 0.414 -0.318) 9.407 9.477 ( 2.603 -1.094 -1.135) 3.043 9.527 ( -0.662 2.048 0.126) 2.156 9.807 ( 0.672 -2.747 -0.205) 2.836 9.964 ( 0.271 -1.119 -5.540) 5.658 10.036 ( 8.074 8.191 8.107) 14.071 10.316 ( 0.072 4.602 -0.727) 4.660 10.449 ( -0.232 -0.907 -2.499) 2.668 10.530 ( 0.252 -2.932 5.052) 5.846 11.127 ( 0.817 -1.035 0.500) 1.411 11.221 ( -4.321 -1.883 -1.270) 4.881 11.432 ( -1.283 -0.806 -0.784) 1.706 11.490 ( -3.712 -3.756 0.352) 5.293 11.621 ( 7.358 7.338 -0.787) 10.421 11.882 ( -2.870 6.388 -0.176) 7.005 12.209 ( 2.499 4.792 2.759) 6.068 12.292 ( 5.746 -8.117 3.782) 10.640 12.398 ( -3.557 -2.262 -2.307) 4.805 12.586 ( -4.616 -11.019 -1.636) 12.058 12.638 ( -1.670 2.848 -2.293) 4.020 12.696 ( -1.023 9.949 -2.280) 10.258 13.361 ( -1.045 -0.745 3.417) 3.650 13.438 ( 0.704 -2.209 -4.189) 4.787 13.781 ( 2.629 9.818 3.407) 10.720 13.811 ( 3.685 -2.757 2.495) 5.235 14.325 ( 4.806 -1.173 4.552) 6.722 14.623 ( -2.261 -5.036 -3.038) 6.301 15.244 ( 2.683 9.207 0.400) 9.598 15.305 ( 3.970 -7.096 1.660) 8.299 15.416 ( -5.660 0.373 -0.548) 5.699 15.608 ( -5.464 4.213 -4.770) 8.388 16.103 ( 3.629 -8.429 4.626) 10.277 16.253 ( 2.098 5.342 -0.270) 5.746 16.383 ( 2.292 -0.189 0.223) 2.311 16.652 ( -6.257 1.152 -2.987) 7.028 17.111 ( 2.945 -0.807 1.865) 3.578 17.281 ( -2.507 0.087 -2.998) 3.909 17.424 ( 1.940 -1.223 3.860) 4.490 17.567 ( -1.139 0.076 -2.410) 2.666 20.120 ( -0.054 -3.814 1.578) 4.128 20.177 ( -0.380 -4.667 -2.108) 5.134 20.478 ( 0.564 2.219 2.429) 3.338 20.555 ( -0.332 1.303 -1.941) 2.362 22.721 ( 0.794 1.619 0.183) 1.812 22.762 ( -1.458 2.345 0.338) 2.783 22.909 ( 0.803 -0.815 0.793) 1.392 22.992 ( -1.397 -0.211 -2.014) 2.460 28.092 ( 4.428 -15.954 -0.139) 16.558 28.143 ( 3.250 20.042 5.258) 20.973 28.385 ( -6.666 -8.382 0.332) 10.714 28.558 ( -4.690 2.664 -8.028) 9.672 31.070 ( 3.253 0.791 2.141) 3.974 31.132 ( 1.239 -3.276 2.369) 4.229 31.163 ( 3.033 5.430 1.159) 6.326 31.314 ( -0.424 -5.021 -2.451) 5.603 31.495 ( 2.737 -1.030 4.050) 4.996 31.530 ( 6.291 3.796 3.133) 7.988 31.918 ( -3.841 -0.850 -2.712) 4.778 32.129 ( -7.407 1.632 -4.393) 8.765 33.180 ( 0.186 -1.670 2.703) 3.182 33.304 ( -0.837 -4.120 -6.425) 7.678 33.479 ( -0.180 4.046 6.545) 7.697 33.562 ( 0.976 1.561 -2.612) 3.196 35.491 ( 1.027 -0.316 0.658) 1.260 35.534 ( -0.294 -0.041 -0.207) 0.362 35.924 ( -1.300 0.660 1.742) 2.272 35.992 ( -0.856 -0.583 -2.964) 3.140 36.481 ( 5.580 -2.684 -5.416) 8.226 36.529 ( -3.968 -2.242 5.933) 7.482 37.494 ( 4.049 2.252 4.705) 6.603 37.799 ( -4.562 1.763 -4.738) 6.810 ======================= Grid point 214 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 8.787 8.267 11.471) 16.648 2.175 ( -3.627 -2.293 -0.437) 4.313 2.387 ( -0.502 -0.072 -2.249) 2.305 2.484 ( -8.908 -4.938 -2.085) 10.396 2.781 ( 15.539 15.535 1.851) 22.051 2.889 ( 10.850 8.006 10.805) 17.279 2.962 ( -3.282 23.494 -0.138) 23.722 3.094 ( 2.043 0.080 5.807) 6.156 3.206 ( -4.108 -5.470 -4.712) 8.307 3.276 ( -11.096 2.223 -5.370) 12.526 3.434 ( -5.176 1.967 0.699) 5.581 3.526 ( -2.605 3.348 -4.930) 6.504 3.779 ( 8.388 -3.216 1.559) 9.118 3.945 ( -5.867 -3.619 -1.920) 7.156 4.145 ( 4.198 -1.028 4.375) 6.150 4.335 ( -6.060 0.509 -9.578) 11.345 4.654 ( 2.408 -4.493 1.850) 5.423 4.744 ( -5.615 -7.918 -2.663) 10.066 4.979 ( 9.001 -4.342 1.701) 10.137 5.029 ( -3.184 -3.939 3.635) 6.234 5.177 ( 5.521 -0.294 1.668) 5.775 5.296 ( -7.938 -1.076 -2.993) 8.552 5.555 ( 8.524 1.007 1.856) 8.782 5.698 ( -3.390 -1.718 0.698) 3.864 5.765 ( 2.142 4.590 1.061) 5.175 5.913 ( -9.628 6.805 -5.440) 12.985 6.202 ( 7.352 -5.232 2.319) 9.317 6.269 ( 0.572 -2.633 -1.555) 3.111 6.406 ( -3.669 2.894 1.565) 4.928 6.423 ( -0.973 3.625 -3.703) 5.272 7.828 ( 2.969 -2.167 2.463) 4.424 7.916 ( -0.157 -0.600 -3.369) 3.426 8.241 ( 8.225 -1.670 7.642) 11.350 8.470 ( -8.284 -2.209 -3.774) 9.367 8.942 ( 7.162 -1.655 3.137) 7.992 9.125 ( -0.569 -2.008 -2.027) 2.909 9.225 ( -5.003 2.568 0.262) 5.630 9.251 ( -7.423 -2.090 -4.158) 8.761 9.476 ( -0.307 4.134 1.146) 4.301 9.495 ( -0.528 1.587 -1.423) 2.196 9.844 ( 4.373 -3.480 -0.773) 5.642 9.934 ( -5.216 -0.193 1.522) 5.437 10.072 ( 7.990 -1.543 1.286) 8.239 10.224 ( -4.537 2.917 -2.213) 5.830 10.528 ( 2.952 -5.034 -0.772) 5.886 10.575 ( -3.439 -2.730 2.138) 4.884 11.172 ( 6.033 -1.631 -2.690) 6.804 11.251 ( -8.544 -3.880 4.018) 10.208 11.450 ( 0.859 -1.500 5.175) 5.456 11.525 ( 2.340 2.996 -4.174) 5.646 11.554 ( 1.247 -0.529 3.069) 3.354 11.699 ( -6.339 7.293 -4.433) 10.632 12.220 ( 5.520 -0.528 4.065) 6.875 12.368 ( -5.286 0.166 -5.807) 7.854 12.483 ( 3.322 -1.419 5.197) 6.329 12.541 ( 1.062 3.726 -2.065) 4.390 12.610 ( 4.232 -4.763 -0.523) 6.393 12.721 ( -7.234 -8.726 -2.630) 11.636 13.404 ( 0.169 -2.282 4.275) 4.849 13.453 ( 0.935 -1.728 -4.705) 5.099 13.656 ( 3.081 8.624 4.100) 10.034 13.768 ( -4.728 5.520 -4.092) 8.341 14.476 ( 8.420 -3.087 10.879) 14.099 14.651 ( -1.827 -1.370 -4.603) 5.138 15.123 ( 5.382 7.835 1.307) 9.595 15.261 ( -7.386 7.163 -3.794) 10.966 15.441 ( 3.569 -2.482 0.355) 4.362 15.517 ( -3.410 1.342 -2.681) 4.540 16.159 ( 0.587 6.576 3.623) 7.531 16.191 ( -0.268 2.718 -2.537) 3.728 16.427 ( 2.267 -2.791 8.390) 9.129 16.573 ( -2.044 0.077 -10.166) 10.370 17.136 ( 3.574 2.346 2.273) 4.842 17.214 ( -2.391 3.051 -2.536) 4.632 17.469 ( 1.491 0.868 3.186) 3.623 17.526 ( -1.804 1.722 -2.189) 3.318 20.150 ( 1.209 2.912 1.312) 3.416 20.160 ( 0.320 3.227 0.927) 3.373 20.576 ( 1.676 -9.466 -0.901) 9.655 20.601 ( -2.205 -8.087 0.247) 8.386 22.574 ( 0.952 11.789 -1.035) 11.873 22.587 ( -2.009 11.682 0.868) 11.885 23.037 ( 2.080 -8.313 -1.328) 8.671 23.070 ( -2.882 -7.841 0.031) 8.354 27.802 ( 2.950 22.238 7.009) 23.502 27.940 ( -1.696 22.131 -10.350) 24.491 28.630 ( 7.250 -21.566 0.824) 22.767 28.772 ( -9.878 -20.754 0.153) 22.985 30.981 ( 1.441 8.268 2.719) 8.823 31.022 ( 0.504 7.845 -3.211) 8.491 31.269 ( 13.676 -1.004 1.299) 13.774 31.427 ( -6.493 -6.082 2.490) 9.239 31.514 ( 5.010 0.777 4.309) 6.654 31.604 ( -0.119 -3.440 -1.155) 3.630 31.858 ( 6.903 3.142 -7.205) 10.461 32.008 ( -18.741 0.718 5.024) 19.416 33.155 ( 1.407 6.699 5.237) 8.619 33.239 ( -2.649 6.564 -3.556) 7.921 33.519 ( 1.852 -4.290 1.749) 4.989 33.567 ( -0.953 -3.399 -2.671) 4.427 35.496 ( 1.190 1.144 0.541) 1.737 35.515 ( -0.717 1.509 -0.083) 1.672 35.909 ( -1.142 1.853 4.293) 4.813 35.959 ( -0.227 1.641 -4.916) 5.188 36.511 ( 4.919 1.452 -2.312) 5.626 36.543 ( -2.407 0.557 2.974) 3.866 37.595 ( 16.710 -6.157 -6.779) 19.055 37.804 ( -17.364 -10.394 4.813) 20.802 ======================= Grid point 215 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -12.364 11.366 -14.255) 22.029 1.953 ( 12.364 11.366 14.255) 22.029 2.364 ( 8.884 26.989 -14.967) 32.115 2.364 ( -8.884 26.989 14.967) 32.115 2.515 ( 0.415 -0.498 -15.377) 15.391 2.515 ( -0.415 -0.498 15.377) 15.391 2.926 ( -5.565 1.883 -1.464) 6.055 2.926 ( 5.565 1.883 1.464) 6.055 3.373 ( -5.229 -7.831 -4.149) 10.290 3.373 ( 5.229 -7.831 4.149) 10.290 3.506 ( -3.091 -7.011 -8.017) 11.090 3.506 ( 3.091 -7.011 8.017) 11.090 3.882 ( -2.270 1.889 -7.358) 7.929 3.882 ( 2.270 1.889 7.358) 7.929 4.244 ( -6.320 -0.897 -7.043) 9.505 4.244 ( 6.320 -0.897 7.043) 9.505 4.826 ( -5.232 -7.527 -2.357) 9.465 4.826 ( 5.232 -7.527 2.357) 9.465 5.072 ( 0.698 -0.796 -1.007) 1.461 5.072 ( -0.698 -0.796 1.007) 1.461 5.233 ( -5.751 0.249 -1.732) 6.011 5.233 ( 5.751 0.249 1.732) 6.011 5.558 ( -12.169 11.030 -3.924) 16.886 5.558 ( 12.169 11.030 3.924) 16.886 5.748 ( -4.330 -0.622 -2.277) 4.931 5.748 ( 4.330 -0.622 2.277) 4.931 6.315 ( -4.623 0.784 -2.729) 5.426 6.315 ( 4.623 0.784 2.729) 5.426 6.389 ( -7.125 -5.328 -3.558) 9.582 6.389 ( 7.125 -5.328 3.558) 9.582 7.893 ( -0.999 -1.297 -4.655) 4.935 7.893 ( 0.999 -1.297 4.655) 4.935 8.404 ( -9.523 -2.925 -7.502) 12.471 8.404 ( 9.523 -2.925 7.502) 12.471 9.058 ( -5.076 1.785 -5.485) 7.684 9.058 ( 5.076 1.785 5.485) 7.684 9.216 ( -2.078 -1.089 -5.611) 6.082 9.216 ( 2.078 -1.089 5.611) 6.082 9.406 ( -1.565 4.212 -4.002) 6.018 9.406 ( 1.565 4.212 4.002) 6.018 9.937 ( 3.264 -0.350 -5.497) 6.402 9.937 ( -3.264 -0.350 5.497) 6.402 10.186 ( -2.393 -6.187 0.608) 6.662 10.186 ( 2.393 -6.187 -0.608) 6.662 10.624 ( -1.387 -3.997 0.232) 4.237 10.624 ( 1.387 -3.997 -0.232) 4.237 11.244 ( 8.057 -1.283 -4.805) 9.468 11.244 ( -8.057 -1.283 4.805) 9.468 11.419 ( -2.168 7.885 -2.493) 8.549 11.419 ( 2.168 7.885 2.493) 8.549 11.649 ( 0.392 -7.239 -2.177) 7.570 11.649 ( -0.392 -7.239 2.177) 7.570 12.314 ( -1.424 -2.076 -5.893) 6.408 12.314 ( 1.424 -2.076 5.893) 6.408 12.526 ( -2.116 -2.664 -2.981) 4.523 12.526 ( 2.116 -2.664 2.981) 4.523 12.774 ( -5.268 -4.874 -1.641) 7.362 12.774 ( 5.268 -4.874 1.641) 7.362 13.477 ( 1.989 -2.624 -3.721) 4.968 13.477 ( -1.989 -2.624 3.721) 4.968 13.573 ( -6.056 7.034 -4.906) 10.499 13.573 ( 6.056 7.034 4.906) 10.499 14.582 ( -4.122 2.736 -5.377) 7.307 14.582 ( 4.122 2.736 5.377) 7.307 15.080 ( -4.383 4.365 -4.871) 7.874 15.080 ( 4.383 4.365 4.871) 7.874 15.396 ( 3.959 10.276 -3.765) 11.638 15.396 ( -3.959 10.276 3.765) 11.638 16.110 ( -1.741 1.564 -5.877) 6.325 16.110 ( 1.741 1.564 5.877) 6.325 16.522 ( 0.437 -1.235 -6.119) 6.258 16.522 ( -0.437 -1.235 6.119) 6.258 17.112 ( -2.862 4.517 -2.775) 6.025 17.112 ( 2.862 4.517 2.775) 6.025 17.450 ( -2.487 3.783 -1.969) 4.937 17.450 ( 2.487 3.783 1.969) 4.937 20.105 ( -1.552 2.562 -3.148) 4.346 20.105 ( 1.552 2.562 3.148) 4.346 20.770 ( 1.485 -10.668 -3.207) 11.238 20.770 ( -1.485 -10.668 3.207) 11.238 22.367 ( 5.333 11.205 -5.818) 13.706 22.367 ( -5.333 11.205 5.818) 13.706 23.189 ( 3.898 -7.374 -5.246) 9.854 23.189 ( -3.898 -7.374 5.246) 9.854 27.465 ( -1.780 22.034 -7.324) 23.287 27.465 ( 1.780 22.034 7.324) 23.287 29.061 ( -6.432 -18.710 -1.099) 19.815 29.061 ( 6.432 -18.710 1.099) 19.815 30.880 ( -0.642 5.574 -3.259) 6.489 30.880 ( 0.642 5.574 3.259) 6.489 31.366 ( -18.747 4.221 4.160) 19.662 31.366 ( 18.747 4.221 -4.160) 19.662 31.591 ( -1.014 -0.467 -3.270) 3.455 31.591 ( 1.014 -0.467 3.270) 3.455 31.921 ( -0.765 -4.327 -1.802) 4.749 31.921 ( 0.765 -4.327 1.802) 4.749 33.039 ( -2.470 10.505 -3.559) 11.363 33.039 ( 2.470 10.505 3.559) 11.363 33.622 ( 2.178 -4.481 -4.993) 7.053 33.622 ( -2.178 -4.481 4.993) 7.053 35.477 ( 0.693 1.832 -1.361) 2.385 35.477 ( -0.693 1.832 1.361) 2.385 35.879 ( 3.015 3.825 -7.874) 9.259 35.879 ( -3.015 3.825 7.874) 9.259 36.509 ( -0.738 1.189 -3.634) 3.894 36.509 ( 0.738 1.189 3.634) 3.894 37.896 ( -23.531 -13.084 6.720) 27.750 37.896 ( 23.531 -13.084 -6.720) 27.750 ======================= Grid point 219 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 16.855 -0.000 -19.219) 25.563 1.656 ( 22.415 -0.000 -23.834) 32.718 2.210 ( 14.915 -0.000 5.374) 15.853 2.428 ( 22.198 -0.000 -18.277) 28.755 2.468 ( 3.186 -0.000 11.379) 11.817 2.613 ( -2.131 0.000 -8.758) 9.014 2.961 ( -20.700 0.000 -1.256) 20.738 3.035 ( -1.990 0.000 5.830) 6.160 3.061 ( -6.864 0.000 -5.047) 8.519 3.250 ( -11.580 0.000 -0.045) 11.580 3.495 ( -1.997 0.000 3.217) 3.787 3.665 ( -1.265 0.000 1.109) 1.682 3.825 ( 1.611 -0.000 -0.147) 1.617 3.909 ( -2.275 0.000 10.089) 10.342 4.200 ( 8.474 -0.000 -0.966) 8.529 4.271 ( -9.659 0.000 -1.004) 9.711 4.651 ( -11.630 0.000 5.809) 13.000 4.865 ( -1.474 0.000 -0.841) 1.697 4.932 ( 4.939 -0.000 -0.376) 4.953 4.961 ( 4.172 -0.000 -3.169) 5.239 5.168 ( -1.499 0.000 7.134) 7.290 5.427 ( 1.318 -0.000 -0.827) 1.556 5.572 ( -16.334 0.000 -3.899) 16.793 5.691 ( 8.961 -0.000 -3.403) 9.585 5.805 ( 6.540 -0.000 7.939) 10.286 5.939 ( 9.074 -0.000 9.428) 13.086 6.173 ( 2.877 -0.000 -4.926) 5.705 6.277 ( 0.990 -0.000 2.722) 2.897 6.655 ( 3.064 -0.000 2.454) 3.925 6.670 ( 1.145 -0.000 2.033) 2.333 7.825 ( -2.323 0.000 -6.498) 6.901 8.214 ( 3.463 -0.000 4.942) 6.035 8.308 ( -5.480 0.000 -0.884) 5.551 8.326 ( -9.002 0.000 -9.206) 12.876 8.931 ( 0.502 -0.000 6.347) 6.367 9.047 ( -0.423 0.000 3.356) 3.382 9.206 ( 4.350 -0.000 -5.058) 6.671 9.295 ( 8.812 -0.000 -2.087) 9.056 9.498 ( 0.207 -0.000 2.868) 2.876 9.560 ( 3.116 -0.000 5.783) 6.569 9.855 ( 4.820 -0.000 -7.326) 8.769 9.856 ( -0.762 0.000 1.871) 2.021 10.202 ( -6.411 0.000 -10.179) 12.029 10.325 ( -2.937 0.000 -1.891) 3.493 10.850 ( 6.136 -0.000 -6.290) 8.787 10.924 ( -1.219 0.000 9.310) 9.389 11.131 ( 0.287 -0.000 1.160) 1.195 11.317 ( -2.948 0.000 7.195) 7.776 11.431 ( -0.941 0.000 0.633) 1.134 11.562 ( 9.977 -0.000 -1.177) 10.046 11.832 ( -1.304 0.000 -13.418) 13.481 11.956 ( 10.409 -0.000 3.867) 11.104 12.088 ( 3.705 -0.000 2.522) 4.482 12.329 ( -0.804 0.000 5.635) 5.692 12.431 ( 0.618 -0.000 1.665) 1.776 12.568 ( -11.553 0.000 -0.345) 11.558 12.868 ( -5.566 0.000 -7.722) 9.519 12.900 ( -2.136 0.000 1.732) 2.750 13.371 ( -0.829 0.000 2.336) 2.479 13.515 ( -0.038 0.000 4.343) 4.343 13.532 ( 1.698 -0.000 -4.930) 5.214 13.726 ( 1.183 -0.000 0.299) 1.220 14.260 ( 7.679 -0.000 7.445) 10.696 14.454 ( -2.109 0.000 0.015) 2.109 14.527 ( -1.900 0.000 0.645) 2.007 14.974 ( 2.495 -0.000 -1.468) 2.895 15.038 ( 0.086 -0.000 6.763) 6.764 15.154 ( 1.683 -0.000 -3.269) 3.677 15.709 ( -3.094 0.000 -9.611) 10.096 16.402 ( -2.195 0.000 -5.940) 6.333 16.673 ( 2.350 -0.000 4.912) 5.445 16.683 ( 3.918 -0.000 2.388) 4.588 16.949 ( -0.236 0.000 3.251) 3.260 16.970 ( 0.293 -0.000 -0.222) 0.368 17.211 ( 0.355 -0.000 -0.585) 0.684 17.553 ( 2.592 -0.000 -2.436) 3.557 19.784 ( -3.146 0.000 -5.787) 6.587 20.160 ( -5.582 0.000 -3.214) 6.441 20.946 ( 0.276 -0.000 -2.672) 2.686 21.012 ( -2.491 0.000 1.299) 2.809 22.127 ( -2.132 0.000 6.509) 6.849 22.271 ( 4.788 -0.000 -1.697) 5.080 23.381 ( 3.151 -0.000 -3.902) 5.015 23.390 ( -2.198 0.000 3.951) 4.521 26.971 ( -0.000 0.000 -0.139) 0.139 26.972 ( -0.137 0.000 0.090) 0.164 29.389 ( -1.294 0.000 -2.328) 2.664 29.550 ( 3.879 -0.000 -2.477) 4.602 30.295 ( 1.062 -0.000 2.254) 2.491 30.762 ( -1.710 0.000 2.290) 2.858 30.834 ( -2.879 0.000 3.446) 4.490 31.201 ( -0.609 0.000 -6.220) 6.250 31.531 ( -3.981 0.000 2.973) 4.968 31.979 ( 1.073 -0.000 -2.188) 2.437 32.114 ( 15.112 -0.000 -18.026) 23.522 32.161 ( 0.067 -0.000 -2.729) 2.730 32.655 ( 3.574 -0.000 -2.356) 4.281 32.896 ( 9.221 -0.000 -12.748) 15.733 33.707 ( 4.377 -0.000 -4.065) 5.973 33.791 ( -5.191 0.000 9.832) 11.118 35.404 ( -1.971 0.000 2.157) 2.921 35.444 ( 2.025 -0.000 -2.565) 3.268 35.760 ( 4.519 -0.000 -4.891) 6.660 35.859 ( -3.824 0.000 6.780) 7.784 36.266 ( -3.060 0.000 -3.362) 4.546 36.494 ( -8.096 0.000 -0.251) 8.100 37.763 ( -11.424 0.000 23.856) 26.451 38.921 ( 4.682 -0.000 -1.366) 4.877 ======================= Grid point 220 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 16.643 -13.129 -13.533) 25.150 1.776 ( 19.300 -8.744 -20.185) 29.264 2.174 ( -7.071 13.717 3.247) 15.771 2.382 ( -8.596 1.348 -11.792) 14.654 2.514 ( 16.352 -1.796 -12.794) 20.840 2.707 ( -4.065 -5.550 3.925) 7.920 2.781 ( 8.564 -4.739 7.576) 12.377 2.915 ( 4.684 4.264 -8.044) 10.238 3.237 ( -3.046 -9.245 8.027) 12.616 3.294 ( -6.657 -8.039 3.104) 10.890 3.552 ( -4.357 -5.441 1.574) 7.146 3.664 ( -0.868 -1.567 1.712) 2.478 3.799 ( -0.695 6.405 3.505) 7.334 3.893 ( 1.245 2.268 3.182) 4.101 4.212 ( -3.784 -1.167 1.158) 4.125 4.326 ( 3.968 -4.776 -1.226) 6.329 4.611 ( -9.594 -0.965 5.422) 11.063 4.815 ( 1.263 4.523 0.100) 4.697 4.869 ( -3.174 3.440 -3.625) 5.920 5.088 ( 1.730 -4.961 -0.740) 5.306 5.192 ( 0.096 -0.698 7.376) 7.409 5.368 ( -9.307 2.720 -1.459) 9.806 5.498 ( -1.246 -5.164 -5.012) 7.303 5.760 ( 7.684 -1.824 -2.084) 8.168 5.814 ( 1.885 6.119 3.613) 7.352 6.040 ( 0.971 3.043 -0.360) 3.215 6.154 ( 7.879 1.372 3.094) 8.575 6.277 ( 0.005 2.364 3.134) 3.926 6.634 ( 0.763 4.340 1.001) 4.519 6.669 ( 1.478 2.261 3.425) 4.362 7.763 ( 0.482 1.622 -4.219) 4.546 8.161 ( -1.900 5.792 -1.255) 6.224 8.224 ( -2.402 4.777 0.887) 5.420 8.247 ( -7.141 -2.544 -8.179) 11.152 8.974 ( 1.628 -0.074 6.248) 6.457 9.087 ( 0.579 -0.187 1.337) 1.469 9.248 ( 3.596 -2.839 -3.124) 5.545 9.343 ( 3.665 -1.096 -3.194) 4.983 9.460 ( -0.602 1.183 5.097) 5.267 9.673 ( 2.780 -2.521 4.978) 6.234 9.814 ( 1.182 2.526 -4.524) 5.314 9.852 ( 1.296 1.369 -1.421) 2.361 10.123 ( -3.650 -2.085 -7.238) 8.370 10.308 ( -0.673 -1.393 -1.522) 2.170 10.803 ( 2.063 6.740 -6.617) 9.668 10.812 ( -2.396 6.933 0.227) 7.339 11.193 ( -4.482 -1.945 2.403) 5.445 11.303 ( -1.625 1.409 4.895) 5.346 11.411 ( -1.802 0.420 -1.861) 2.625 11.586 ( 2.778 9.318 -10.904) 14.610 11.676 ( 3.137 -1.634 0.626) 3.592 11.989 ( -1.525 -1.561 -4.085) 4.631 12.158 ( 13.943 6.624 6.671) 16.816 12.311 ( -1.254 5.772 5.091) 7.798 12.499 ( -2.268 -0.090 1.782) 2.886 12.583 ( 9.520 -4.314 4.663) 11.445 12.674 ( -5.208 5.316 -2.416) 7.824 12.876 ( -3.501 0.765 0.846) 3.682 13.365 ( -2.791 1.100 3.624) 4.705 13.485 ( 1.114 1.273 -2.184) 2.763 13.577 ( 2.071 0.669 0.070) 2.178 13.794 ( -3.975 -10.061 -2.684) 11.145 14.297 ( 9.465 6.281 7.482) 13.602 14.534 ( -1.305 -2.646 -0.544) 3.000 14.809 ( 3.139 -18.335 6.179) 19.601 15.098 ( -4.185 -13.829 3.658) 14.905 15.152 ( 3.565 -7.273 5.286) 9.672 15.229 ( 1.980 -9.622 2.991) 10.269 15.703 ( -1.650 -6.679 -7.813) 10.410 16.298 ( -4.726 2.106 -8.902) 10.297 16.620 ( 2.393 6.705 3.406) 7.892 16.693 ( 0.536 5.608 3.084) 6.423 16.947 ( 1.636 -2.101 2.908) 3.943 17.064 ( -1.032 -5.317 0.493) 5.439 17.278 ( 2.287 -4.986 0.123) 5.487 17.550 ( 0.312 -0.514 -3.463) 3.515 19.775 ( -1.263 -4.259 -4.761) 6.511 20.044 ( -7.413 3.102 -5.072) 9.503 20.883 ( 1.193 5.515 -2.239) 6.071 20.935 ( -2.461 6.487 1.071) 7.020 22.222 ( -1.310 -7.535 6.329) 9.927 22.347 ( 3.394 -5.895 -2.302) 7.181 23.333 ( 0.806 5.161 -1.625) 5.470 23.350 ( -1.579 4.290 0.974) 4.674 27.072 ( 0.787 -10.989 -0.395) 11.025 27.179 ( -4.922 -21.033 3.432) 21.872 29.209 ( 1.608 15.936 -0.333) 16.020 29.469 ( 2.256 10.268 -4.329) 11.370 30.518 ( 11.129 -11.448 11.495) 19.673 30.808 ( -0.891 -4.263 3.540) 5.613 30.857 ( -2.658 -3.247 3.368) 5.380 31.228 ( 0.787 -5.994 -3.957) 7.225 31.547 ( -5.873 -3.789 1.912) 7.246 31.884 ( 1.465 7.127 -6.665) 9.867 31.977 ( 3.399 9.737 -3.363) 10.847 32.223 ( 8.410 -3.190 -16.460) 18.757 32.745 ( 4.259 -6.925 -3.180) 8.729 32.949 ( 2.834 -6.759 -8.120) 10.939 33.700 ( 5.167 2.257 -4.092) 6.966 33.776 ( -5.631 2.701 9.060) 11.004 35.412 ( -0.716 -0.920 1.604) 1.983 35.456 ( 1.307 -1.210 -1.693) 2.457 35.805 ( 5.182 -3.630 -5.209) 8.195 35.886 ( -4.692 -2.564 5.493) 7.666 36.257 ( -2.437 -2.909 -0.993) 3.923 36.415 ( -8.267 0.733 -0.935) 8.352 37.791 ( -5.260 5.641 25.955) 27.077 38.727 ( -0.121 17.323 -11.270) 20.666 ======================= Grid point 221 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 10.964 -11.216 -8.642) 17.908 1.866 ( -8.527 0.747 -3.975) 9.438 1.952 ( 7.664 -2.038 -9.096) 12.068 2.270 ( -12.399 -3.774 -7.197) 14.825 2.686 ( 11.473 -2.492 -4.001) 12.404 2.824 ( 7.455 -1.849 -1.597) 7.845 2.882 ( 1.971 -8.085 7.683) 11.326 3.137 ( 8.905 -19.364 -2.798) 21.496 3.317 ( 0.240 3.456 10.423) 10.984 3.397 ( 3.782 -1.166 -0.623) 4.006 3.643 ( -7.771 4.825 3.338) 9.737 3.661 ( -5.845 -9.474 -1.132) 11.189 3.756 ( 4.763 -3.040 2.891) 6.347 3.904 ( 1.142 1.000 0.206) 1.532 4.183 ( -4.186 1.007 0.506) 4.335 4.415 ( 4.637 -2.146 -3.466) 6.174 4.589 ( -5.917 -0.617 2.684) 6.527 4.726 ( -9.209 3.088 -4.439) 10.679 4.780 ( 5.045 2.792 4.429) 7.271 5.095 ( -3.584 0.660 -0.158) 3.648 5.207 ( -1.454 3.354 1.666) 4.017 5.332 ( -6.490 -5.082 0.486) 8.258 5.582 ( 2.881 0.402 0.554) 2.962 5.681 ( 0.886 6.541 -3.106) 7.295 5.819 ( 2.976 2.107 2.325) 4.324 5.935 ( 1.512 1.135 -3.824) 4.266 6.190 ( 4.353 3.625 -0.980) 5.749 6.246 ( -2.125 1.679 2.267) 3.532 6.577 ( 0.881 2.860 2.566) 3.942 6.652 ( 0.304 2.906 2.721) 3.993 7.744 ( 2.360 0.708 0.022) 2.464 8.014 ( -1.736 5.085 -5.809) 7.913 8.160 ( 2.961 3.838 5.311) 7.191 8.230 ( -4.995 -5.267 -3.974) 8.276 9.007 ( -1.775 -0.232 1.263) 2.191 9.055 ( -1.424 3.537 2.106) 4.356 9.259 ( -0.601 -0.315 -7.190) 7.222 9.340 ( -2.570 -1.845 -3.706) 4.872 9.541 ( 2.562 -0.145 7.158) 7.604 9.646 ( -1.753 3.308 -0.400) 3.765 9.798 ( 8.129 5.380 0.573) 9.764 9.851 ( -1.070 -4.728 -3.792) 6.155 10.149 ( 1.671 -3.284 2.182) 4.282 10.357 ( 1.018 -3.898 -0.515) 4.062 10.620 ( -1.478 9.155 -0.587) 9.292 10.668 ( 1.241 8.343 -5.644) 10.149 11.146 ( -2.801 2.598 1.318) 4.042 11.274 ( -4.174 3.561 -3.795) 6.671 11.370 ( -1.694 -0.810 -2.309) 2.976 11.434 ( 0.214 1.094 -1.924) 2.224 11.783 ( 7.241 -1.423 1.372) 7.506 11.992 ( -0.541 -2.379 -3.008) 3.873 12.154 ( 6.623 4.295 2.877) 8.401 12.258 ( -0.890 1.840 3.975) 4.469 12.418 ( -0.154 4.141 0.264) 4.152 12.511 ( -3.655 7.371 0.178) 8.230 12.768 ( 3.310 0.644 2.193) 4.023 12.872 ( -1.186 -2.127 2.490) 3.483 13.350 ( -3.603 -0.085 4.012) 5.393 13.408 ( 0.072 3.804 -5.993) 7.098 13.647 ( 7.251 -4.288 5.410) 10.012 13.934 ( -3.719 -8.046 -2.581) 9.232 14.301 ( 9.542 4.637 4.838) 11.660 14.536 ( -3.224 0.508 -2.252) 3.965 15.049 ( 3.231 -8.272 1.741) 9.049 15.203 ( -4.713 -7.124 -1.133) 8.617 15.441 ( -0.008 -6.882 5.610) 8.879 15.495 ( 2.244 -11.599 4.990) 12.825 15.839 ( 0.288 -10.463 0.823) 10.500 16.188 ( -4.247 0.183 -9.487) 10.396 16.533 ( 3.687 6.577 2.348) 7.897 16.635 ( -4.721 0.213 5.047) 6.914 17.023 ( 1.629 -2.894 1.628) 3.699 17.140 ( -2.567 -5.229 -1.321) 5.973 17.380 ( 3.079 -3.076 1.467) 4.592 17.542 ( -0.832 -0.957 -3.437) 3.664 19.858 ( 0.468 -7.785 -4.000) 8.765 19.950 ( -5.677 -1.979 -2.335) 6.450 20.760 ( 0.926 8.193 -0.421) 8.256 20.785 ( -0.852 8.477 0.026) 8.520 22.419 ( -0.603 -10.930 5.224) 12.129 22.490 ( 2.344 -8.817 -2.710) 9.517 23.204 ( -1.417 8.589 1.658) 8.861 23.233 ( -0.457 7.061 -2.605) 7.540 27.355 ( 3.665 -18.641 -0.445) 19.004 27.570 ( -11.685 -25.487 4.345) 28.373 28.912 ( 4.342 20.213 3.413) 20.954 29.184 ( -0.587 17.662 -7.656) 19.259 30.838 ( 6.381 -7.588 5.482) 11.329 30.914 ( -1.219 -5.749 2.873) 6.541 31.007 ( 4.778 -10.077 10.685) 15.445 31.338 ( 1.607 -4.155 0.613) 4.497 31.561 ( -6.022 -1.189 -0.047) 6.138 31.724 ( 0.678 5.822 -8.077) 9.980 31.856 ( 2.581 5.683 5.362) 8.228 32.191 ( 4.093 0.270 -19.892) 20.311 32.908 ( 3.567 -9.055 -1.250) 9.812 33.060 ( -2.046 -8.426 -4.344) 9.699 33.661 ( 4.403 4.285 -1.961) 6.450 33.716 ( -4.042 4.322 5.720) 8.230 35.442 ( 0.398 -1.667 1.195) 2.090 35.484 ( 0.412 -1.920 -1.113) 2.257 35.885 ( 3.378 -3.290 -3.217) 5.708 35.928 ( -3.110 -3.074 1.278) 4.556 36.318 ( -3.978 -5.423 3.161) 7.432 36.364 ( -3.164 -2.315 -2.538) 4.670 37.762 ( -2.437 10.049 24.451) 26.548 38.287 ( 1.290 20.363 -18.600) 27.609 ======================= Grid point 222 (109/114) ======================= q-point: ( 0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 2.207 -9.999 1.525) 10.352 1.936 ( -0.103 -12.780 -5.537) 13.928 2.105 ( 9.978 -11.426 -1.969) 15.297 2.258 ( -10.462 -8.567 -3.192) 13.894 2.708 ( 4.206 1.824 1.461) 4.811 2.797 ( -5.223 1.820 1.103) 5.640 3.183 ( 12.457 -6.941 1.684) 14.359 3.285 ( 1.286 5.225 8.679) 10.212 3.430 ( 5.190 -0.383 -2.552) 5.796 3.468 ( 0.820 -3.717 -3.034) 4.867 3.540 ( 0.352 -1.504 3.113) 3.476 3.720 ( -8.974 -3.114 -6.310) 11.404 3.795 ( 1.096 6.197 2.886) 6.923 3.863 ( -1.646 -0.794 -0.706) 1.959 4.172 ( 3.760 1.657 4.275) 5.930 4.375 ( -9.234 1.290 -8.192) 12.411 4.593 ( 1.320 -1.777 -1.508) 2.678 4.622 ( -4.232 1.100 1.866) 4.754 4.856 ( 10.357 -0.216 4.027) 11.114 5.008 ( -6.589 4.138 0.350) 7.788 5.186 ( 2.128 0.603 3.099) 3.807 5.295 ( -7.587 0.684 -4.582) 8.889 5.522 ( 1.505 3.036 5.339) 6.323 5.603 ( -1.976 0.040 -4.606) 5.012 5.857 ( 7.186 -0.165 4.411) 8.434 5.994 ( -1.326 -4.251 -2.402) 5.059 6.111 ( 0.665 4.048 1.719) 4.448 6.201 ( -2.765 0.435 -6.229) 6.829 6.554 ( 0.502 3.072 2.720) 4.133 6.587 ( -0.735 4.703 -0.240) 4.766 7.778 ( 4.996 -0.451 3.485) 6.108 7.915 ( -2.228 1.116 -5.712) 6.232 8.196 ( 4.954 -0.704 6.182) 7.953 8.303 ( -3.667 -6.467 -0.991) 7.500 8.951 ( -0.383 2.636 -2.246) 3.484 9.014 ( -5.271 -1.459 -0.665) 5.509 9.241 ( 2.349 -0.031 -3.335) 4.080 9.297 ( -5.914 0.815 -0.984) 6.050 9.523 ( 1.795 4.077 1.554) 4.718 9.568 ( -2.036 4.284 -0.421) 4.762 9.808 ( 5.881 -0.485 0.730) 5.946 9.901 ( -3.055 -2.624 -3.220) 5.156 10.257 ( 9.116 1.049 7.574) 11.898 10.386 ( -0.182 2.178 -1.285) 2.535 10.492 ( 1.494 7.123 -6.180) 9.548 10.504 ( -4.191 1.237 3.652) 5.695 11.113 ( -1.107 -0.138 1.711) 2.043 11.163 ( -3.031 0.612 -4.878) 5.776 11.394 ( 0.997 -1.697 -0.101) 1.971 11.431 ( -2.159 -1.197 -0.581) 2.536 11.815 ( 9.216 5.525 1.301) 10.823 11.956 ( -5.477 4.428 -0.943) 7.106 12.219 ( 5.902 -5.617 2.549) 8.537 12.300 ( -3.553 -5.515 0.434) 6.575 12.352 ( -0.477 4.275 -0.175) 4.305 12.373 ( -2.859 1.246 -0.790) 3.217 12.734 ( 2.369 5.385 2.315) 6.322 12.822 ( -3.176 6.300 -2.830) 7.602 13.350 ( -2.338 -0.821 3.996) 4.702 13.374 ( 0.983 -2.004 -4.704) 5.207 13.840 ( 8.775 -3.451 4.859) 10.607 13.945 ( -1.978 3.339 1.199) 4.062 14.353 ( 7.075 -1.170 0.494) 7.188 14.478 ( -7.090 -2.202 -2.034) 7.698 15.208 ( 3.365 -6.297 0.558) 7.161 15.281 ( -5.736 -5.972 -0.734) 8.312 15.471 ( 6.957 5.363 2.466) 9.124 15.613 ( -6.483 1.255 -1.648) 6.806 16.022 ( 4.029 -7.518 6.995) 11.030 16.173 ( -2.893 -6.819 -8.333) 11.149 16.488 ( 7.720 4.392 0.743) 8.913 16.612 ( -9.331 0.792 2.424) 9.674 17.107 ( 2.872 -3.392 2.687) 5.193 17.193 ( -3.319 -4.358 -3.341) 6.416 17.450 ( 2.588 -0.898 3.897) 4.764 17.530 ( -1.543 -0.859 -3.848) 4.234 19.999 ( -0.151 -8.687 -1.083) 8.756 20.010 ( -1.628 -8.513 -0.899) 8.714 20.613 ( -0.789 8.482 3.284) 9.130 20.635 ( 1.143 7.487 -3.092) 8.181 22.632 ( 0.181 -9.785 2.489) 10.098 22.653 ( 0.654 -9.001 -1.550) 9.157 23.042 ( -1.213 9.414 3.048) 9.969 23.071 ( -0.037 8.495 -3.725) 9.275 27.770 ( 7.976 -22.196 0.206) 23.586 27.931 ( -13.131 -23.749 1.748) 27.194 28.605 ( 5.242 21.341 7.061) 23.082 28.776 ( -3.280 20.144 -10.011) 22.733 31.008 ( 2.337 -7.355 1.488) 7.860 31.035 ( -1.564 -7.472 1.488) 7.777 31.257 ( 6.216 -2.262 6.740) 9.443 31.340 ( 0.076 4.417 -0.579) 4.456 31.515 ( 2.387 1.403 1.406) 3.105 31.631 ( -3.149 0.413 -3.470) 4.704 31.875 ( 1.926 0.035 8.622) 8.835 32.075 ( -2.778 1.859 -15.063) 15.429 33.091 ( 2.475 -8.291 1.077) 8.719 33.159 ( -2.745 -7.296 -3.490) 8.540 33.598 ( 1.302 5.258 2.370) 5.912 33.628 ( -0.705 5.103 -0.226) 5.156 35.486 ( 1.043 -1.588 1.125) 2.208 35.512 ( -0.477 -1.636 -0.948) 1.950 35.925 ( -0.069 -0.871 0.997) 1.326 35.951 ( -0.971 -1.450 -2.289) 2.878 36.408 ( 3.297 -5.790 -3.253) 7.415 36.435 ( -4.672 -6.509 3.738) 8.841 37.683 ( -0.997 10.144 18.899) 21.473 37.881 ( 1.069 13.701 -17.441) 22.204 ======================= Grid point 223 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -1.836 -6.285 -3.179) 7.279 2.089 ( 1.836 -6.285 3.179) 7.279 2.350 ( -1.935 -5.670 -0.570) 6.018 2.350 ( 1.935 -5.670 0.570) 6.018 2.813 ( -1.096 -11.500 -4.655) 12.454 2.813 ( 1.096 -11.500 4.655) 12.454 3.200 ( -4.832 10.422 -6.592) 13.244 3.200 ( 4.832 10.422 6.592) 13.244 3.397 ( 1.016 9.063 -6.577) 11.244 3.397 ( -1.016 9.063 6.577) 11.244 3.542 ( 0.469 6.362 -3.346) 7.203 3.542 ( -0.469 6.362 3.346) 7.203 3.820 ( -1.637 -0.707 -8.686) 8.868 3.820 ( 1.637 -0.707 8.686) 8.868 4.228 ( -8.422 0.706 -7.995) 11.634 4.228 ( 8.422 0.706 7.995) 11.634 4.620 ( 0.420 -1.747 -2.295) 2.915 4.620 ( -0.420 -1.747 2.295) 2.915 4.945 ( 3.483 -2.932 -3.989) 6.053 4.945 ( -3.483 -2.932 3.989) 6.053 5.225 ( -4.671 -0.036 -2.291) 5.203 5.225 ( 4.671 -0.036 2.291) 5.203 5.599 ( -7.488 -3.721 -1.582) 8.510 5.599 ( 7.488 -3.721 1.582) 8.510 5.913 ( -7.036 4.005 -5.844) 9.985 5.913 ( 7.036 4.005 5.844) 9.985 6.166 ( 0.411 -3.624 -7.412) 8.261 6.166 ( -0.411 -3.624 7.412) 8.261 6.492 ( 2.296 4.970 -4.026) 6.796 6.492 ( -2.296 4.970 4.026) 6.796 7.858 ( -4.341 -0.837 -5.121) 6.765 7.858 ( 4.341 -0.837 5.121) 6.765 8.321 ( -7.998 -2.829 -6.927) 10.952 8.321 ( 7.998 -2.829 6.927) 10.952 8.989 ( -8.257 -2.803 -4.381) 9.758 8.989 ( 8.257 -2.803 4.381) 9.758 9.236 ( 2.127 1.615 -3.106) 4.096 9.236 ( -2.127 1.615 3.106) 4.096 9.503 ( 0.898 0.468 -1.765) 2.035 9.503 ( -0.898 0.468 1.765) 2.035 9.862 ( -2.168 0.299 -5.354) 5.784 9.862 ( 2.168 0.299 5.354) 5.784 10.252 ( -6.535 7.148 -4.861) 10.837 10.252 ( 6.535 7.148 4.861) 10.837 10.493 ( -5.561 -2.800 -0.257) 6.231 10.493 ( 5.561 -2.800 0.257) 6.231 11.156 ( 3.957 -2.877 -6.501) 8.136 11.156 ( -3.957 -2.877 6.501) 8.136 11.437 ( -1.834 -2.113 -1.218) 3.052 11.437 ( 1.834 -2.113 1.218) 3.052 11.767 ( -8.243 8.262 -2.855) 12.014 11.767 ( 8.243 8.262 2.855) 12.014 12.296 ( -3.702 1.225 -3.937) 5.541 12.296 ( 3.702 1.225 3.937) 5.541 12.450 ( -7.165 -10.594 -3.994) 13.399 12.450 ( 7.165 -10.594 3.994) 13.399 12.648 ( -1.070 6.998 -2.440) 7.488 12.648 ( 1.070 6.998 2.440) 7.488 13.394 ( 1.381 -2.112 -5.586) 6.130 13.394 ( -1.381 -2.112 5.586) 6.130 13.844 ( -0.509 6.886 -2.471) 7.333 13.844 ( 0.509 6.886 2.471) 7.333 14.494 ( -4.778 -6.297 -8.254) 11.428 14.494 ( 4.778 -6.297 8.254) 11.428 15.303 ( -1.996 1.826 -2.612) 3.760 15.303 ( 1.996 1.826 2.612) 3.760 15.452 ( -6.049 2.179 -5.784) 8.648 15.452 ( 6.049 2.179 5.784) 8.648 16.210 ( -2.527 -2.985 -4.497) 5.960 16.210 ( 2.527 -2.985 4.497) 5.960 16.498 ( -4.545 2.276 -5.854) 7.753 16.498 ( 4.545 2.276 5.854) 7.753 17.194 ( -3.463 -0.826 -3.455) 4.961 17.194 ( 3.463 -0.826 3.455) 4.961 17.504 ( -1.977 -0.425 -4.135) 4.603 17.504 ( 1.977 -0.425 4.135) 4.603 20.144 ( -0.036 -5.814 -2.637) 6.385 20.144 ( 0.036 -5.814 2.637) 6.385 20.519 ( -0.578 2.299 -2.983) 3.810 20.519 ( 0.578 2.299 2.983) 3.810 22.740 ( 1.468 2.734 -2.440) 3.948 22.740 ( -1.468 2.734 2.440) 3.948 22.943 ( -0.875 -0.659 -2.503) 2.733 22.943 ( 0.875 -0.659 2.503) 2.733 28.181 ( -5.882 -1.742 0.972) 6.211 28.181 ( 5.882 -1.742 -0.972) 6.211 28.382 ( -2.830 0.688 -8.524) 9.007 28.382 ( 2.830 0.688 8.524) 9.007 31.121 ( -0.225 1.358 -2.280) 2.663 31.121 ( 0.225 1.358 2.280) 2.663 31.264 ( -1.294 -1.806 -4.730) 5.226 31.264 ( 1.294 -1.806 4.730) 5.226 31.590 ( -0.446 -0.406 -4.542) 4.582 31.590 ( 0.446 -0.406 4.542) 4.582 31.935 ( 2.886 1.817 -13.413) 13.839 31.935 ( -2.886 1.817 13.413) 13.839 33.228 ( -0.103 -3.169 -5.283) 6.161 33.228 ( 0.103 -3.169 5.283) 6.161 33.535 ( 1.080 3.028 -5.044) 5.981 33.535 ( -1.080 3.028 5.044) 5.981 35.518 ( -0.377 -0.212 -1.276) 1.348 35.518 ( 0.377 -0.212 1.276) 1.348 35.943 ( 1.188 -0.022 -4.604) 4.755 35.943 ( -1.188 -0.022 4.604) 4.755 36.514 ( 6.231 -3.412 -5.848) 9.201 36.514 ( -6.231 -3.412 5.848) 9.201 37.644 ( -0.420 2.806 -11.163) 11.518 37.644 ( 0.420 2.806 11.163) 11.518 ======================= Grid point 231 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 25.543 -0.000 -8.297) 26.857 1.753 ( 19.791 -0.000 -18.776) 27.280 2.252 ( -12.557 0.000 -9.731) 15.886 2.311 ( -9.058 0.000 -5.216) 10.452 2.605 ( 1.761 -0.000 0.715) 1.901 2.715 ( 13.557 -0.000 -4.255) 14.209 2.763 ( 5.742 -0.000 6.352) 8.563 2.960 ( -12.268 0.000 2.501) 12.520 2.981 ( 1.515 -0.000 -5.451) 5.658 3.127 ( -9.655 0.000 4.631) 10.708 3.592 ( 4.978 -0.000 6.565) 8.239 3.638 ( -1.704 0.000 1.146) 2.054 3.880 ( 0.939 -0.000 2.055) 2.259 3.975 ( -2.942 0.000 6.561) 7.190 4.174 ( 1.330 -0.000 2.698) 3.008 4.331 ( 9.205 -0.000 -3.903) 9.998 4.566 ( -7.398 0.000 5.623) 9.292 4.838 ( -3.925 0.000 -6.120) 7.270 4.920 ( -2.824 0.000 -1.107) 3.033 4.990 ( 1.667 -0.000 -0.017) 1.667 5.220 ( -1.467 0.000 6.074) 6.249 5.342 ( -6.110 0.000 1.134) 6.214 5.426 ( 3.610 -0.000 -2.668) 4.489 5.751 ( 1.021 -0.000 -5.292) 5.390 5.912 ( 2.524 -0.000 3.244) 4.110 6.083 ( -1.764 0.000 0.880) 1.971 6.245 ( 7.347 -0.000 4.232) 8.479 6.321 ( 0.633 -0.000 2.327) 2.412 6.682 ( -0.192 0.000 -0.024) 0.193 6.707 ( -0.073 0.000 1.461) 1.463 7.765 ( 1.807 -0.000 -2.898) 3.415 8.041 ( -10.495 0.000 -10.170) 14.615 8.232 ( -1.083 0.000 0.230) 1.107 8.290 ( 0.406 -0.000 1.013) 1.091 9.079 ( 6.585 -0.000 5.671) 8.690 9.087 ( 1.881 -0.000 3.370) 3.859 9.221 ( 3.982 -0.000 -4.200) 5.787 9.324 ( -0.569 0.000 -2.550) 2.613 9.535 ( -0.263 0.000 7.187) 7.192 9.642 ( -0.499 0.000 2.590) 2.638 9.779 ( -2.578 0.000 -8.191) 8.587 9.934 ( 4.071 -0.000 1.483) 4.333 9.998 ( -5.347 0.000 -5.531) 7.693 10.266 ( -1.635 0.000 -3.122) 3.525 10.827 ( -9.237 0.000 0.315) 9.242 10.839 ( 3.725 -0.000 -9.729) 10.418 11.167 ( 1.553 -0.000 4.349) 4.618 11.342 ( -4.536 0.000 7.937) 9.142 11.389 ( -1.780 0.000 -3.947) 4.329 11.611 ( -4.471 0.000 -14.411) 15.089 11.703 ( 7.456 -0.000 1.368) 7.581 11.912 ( -4.079 0.000 -1.826) 4.469 12.400 ( 7.045 -0.000 5.037) 8.660 12.431 ( 3.841 -0.000 4.552) 5.956 12.513 ( 5.385 -0.000 3.009) 6.169 12.593 ( 4.198 -0.000 9.729) 10.596 12.714 ( 1.615 -0.000 -5.083) 5.334 12.859 ( -3.797 0.000 -0.344) 3.812 13.386 ( -1.146 0.000 3.950) 4.113 13.489 ( -1.426 0.000 -3.379) 3.667 13.573 ( 0.827 -0.000 3.569) 3.663 13.664 ( -2.637 0.000 -3.403) 4.305 14.435 ( -0.413 0.000 0.307) 0.515 14.492 ( -2.675 0.000 0.168) 2.680 14.718 ( 17.208 -0.000 19.321) 25.873 14.991 ( 1.583 -0.000 -1.309) 2.054 15.135 ( 1.974 -0.000 8.465) 8.692 15.165 ( 3.405 -0.000 -1.572) 3.750 15.602 ( 0.803 -0.000 -2.036) 2.189 16.193 ( -8.980 0.000 -14.445) 17.009 16.748 ( 1.275 -0.000 2.861) 3.133 16.757 ( 2.324 -0.000 1.107) 2.575 16.989 ( 1.042 0.000 1.039) 1.472 16.989 ( 0.058 0.000 2.838) 2.838 17.255 ( 4.043 -0.000 2.876) 4.962 17.510 ( -2.232 0.000 -5.172) 5.633 19.715 ( 0.978 -0.000 -2.493) 2.678 19.972 ( -9.686 0.000 -6.617) 11.731 20.931 ( 1.208 -0.000 -1.806) 2.173 20.979 ( -2.966 0.000 0.631) 3.032 22.180 ( -0.593 0.000 6.465) 6.493 22.290 ( 1.212 -0.000 -3.309) 3.524 23.372 ( 2.573 -0.000 -4.580) 5.253 23.388 ( -3.091 0.000 3.208) 4.455 26.971 ( 0.107 -0.000 -0.030) 0.111 26.972 ( -0.091 0.000 0.133) 0.161 29.394 ( 3.463 -0.000 0.907) 3.580 29.549 ( 0.205 -0.000 -3.549) 3.555 30.627 ( 14.347 -0.000 25.768) 29.493 30.776 ( 0.289 -0.000 1.855) 1.878 30.824 ( -2.660 0.000 2.381) 3.570 31.137 ( 2.159 -0.000 -7.684) 7.982 31.496 ( -3.183 0.000 3.349) 4.621 31.894 ( 0.524 -0.000 -16.971) 16.979 32.101 ( 5.512 -0.000 -10.973) 12.279 32.122 ( -0.731 0.000 -2.689) 2.786 32.709 ( 5.473 -0.000 -1.275) 5.620 32.854 ( 1.290 -0.000 -7.810) 7.916 33.738 ( 6.680 -0.000 -5.819) 8.859 33.802 ( -7.318 0.000 9.285) 11.823 35.412 ( -0.522 0.000 2.615) 2.666 35.445 ( 1.580 -0.000 -2.321) 2.808 35.780 ( 5.296 -0.000 -5.055) 7.321 35.853 ( -5.855 0.000 5.544) 8.063 36.216 ( 0.366 -0.000 -1.519) 1.562 36.351 ( -8.669 0.000 -0.316) 8.675 37.984 ( 0.560 -0.000 28.612) 28.618 38.775 ( -8.452 0.000 -16.695) 18.713 ======================= Grid point 232 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 17.991 -3.673 -5.030) 19.039 1.813 ( 0.588 -0.249 -11.266) 11.285 2.016 ( -2.728 7.194 -0.237) 7.697 2.136 ( -11.319 1.758 -2.565) 11.738 2.680 ( 13.605 -4.416 -3.382) 14.698 2.749 ( 0.737 -8.194 3.875) 9.094 2.876 ( 5.718 -4.759 -7.067) 10.261 2.925 ( -4.342 2.357 4.005) 6.360 3.205 ( -6.146 -16.323 4.623) 18.044 3.241 ( -2.531 -16.666 -1.790) 16.952 3.595 ( 4.091 4.374 2.363) 6.438 3.649 ( -3.095 1.543 2.745) 4.415 3.850 ( 2.618 3.676 3.425) 5.665 3.945 ( -3.415 1.999 0.795) 4.036 4.218 ( 7.687 2.116 3.683) 8.782 4.376 ( 1.141 -1.316 -5.320) 5.598 4.562 ( -3.032 -0.707 4.830) 5.747 4.679 ( -9.677 3.147 -6.332) 11.985 4.897 ( 5.044 2.492 3.451) 6.600 5.022 ( -5.099 -1.803 -3.357) 6.366 5.260 ( -0.479 -1.181 3.851) 4.056 5.280 ( -1.599 2.952 0.557) 3.403 5.537 ( 9.670 -6.121 -0.976) 11.486 5.712 ( -9.558 -1.380 -1.523) 9.777 5.909 ( 7.141 4.455 -0.333) 8.423 5.996 ( -3.603 5.938 -1.296) 7.065 6.289 ( 4.475 3.291 0.137) 5.557 6.309 ( -1.275 3.063 3.823) 5.062 6.653 ( 1.165 2.684 1.605) 3.337 6.693 ( -1.253 1.338 -0.012) 1.834 7.778 ( 3.142 -0.010 1.710) 3.577 7.928 ( -8.459 -1.259 -9.351) 12.672 8.218 ( 3.252 2.030 0.995) 3.960 8.260 ( -0.720 2.927 1.583) 3.405 9.085 ( 3.793 5.144 5.819) 8.643 9.138 ( 2.387 2.990 3.021) 4.875 9.198 ( -0.171 -1.152 -6.116) 6.226 9.279 ( -4.753 1.467 -5.180) 7.182 9.604 ( 4.642 -1.065 10.208) 11.264 9.670 ( -1.699 0.123 0.673) 1.832 9.734 ( -0.828 -3.451 -3.720) 5.141 9.871 ( -5.026 -0.612 -10.248) 11.431 10.094 ( 6.305 -4.851 8.295) 11.493 10.260 ( -2.714 -3.728 -4.922) 6.744 10.735 ( -3.669 5.059 2.705) 6.809 10.763 ( 1.697 4.930 -7.810) 9.390 11.198 ( 0.278 2.258 5.218) 5.693 11.304 ( -3.471 3.592 -7.177) 8.745 11.350 ( -0.890 0.952 7.317) 7.432 11.450 ( -1.729 3.934 -9.086) 10.050 11.794 ( 6.286 -2.935 1.970) 7.211 11.898 ( -4.176 -2.677 -2.422) 5.520 12.351 ( 4.933 8.565 2.475) 10.189 12.394 ( 1.806 8.553 1.264) 8.833 12.528 ( 3.078 4.390 2.251) 5.815 12.588 ( -3.287 3.508 -0.203) 4.811 12.789 ( 4.997 -2.215 2.437) 5.984 12.836 ( -1.843 -1.413 0.743) 2.438 13.376 ( -1.345 2.170 5.190) 5.784 13.439 ( -0.569 2.531 -5.590) 6.162 13.639 ( 3.362 -4.109 2.693) 5.953 13.716 ( -3.068 -9.005 -1.673) 9.659 14.448 ( 2.633 1.071 3.096) 4.203 14.500 ( -1.592 -1.702 -1.434) 2.736 14.952 ( 5.837 -5.331 2.675) 8.345 15.041 ( -4.683 -6.342 0.185) 7.886 15.281 ( 3.111 -10.192 4.733) 11.660 15.331 ( 1.485 -11.920 2.467) 12.263 15.718 ( 6.853 -7.035 10.361) 14.276 16.041 ( -9.650 -2.129 -15.922) 18.739 16.686 ( 2.227 6.616 1.554) 7.152 16.716 ( -0.909 6.321 0.977) 6.460 17.005 ( 1.751 -1.694 1.886) 3.081 17.042 ( -1.576 -3.002 -0.516) 3.430 17.357 ( 4.581 -3.867 3.822) 7.110 17.476 ( -3.359 -1.977 -4.989) 6.331 19.756 ( 3.175 -3.344 -0.573) 4.647 19.863 ( -7.452 -0.369 -4.333) 8.628 20.886 ( 1.910 5.153 -1.543) 5.709 20.907 ( -2.513 5.628 0.988) 6.242 22.281 ( -0.162 -7.166 5.911) 9.291 22.338 ( 0.478 -6.680 -4.300) 7.959 23.323 ( 2.984 4.927 -4.402) 7.249 23.332 ( -3.663 5.143 3.450) 7.195 27.090 ( 2.047 -12.638 -0.259) 12.805 27.130 ( -3.924 -16.506 0.977) 16.994 29.291 ( 4.905 14.382 4.012) 15.716 29.409 ( -2.636 12.149 -5.323) 13.523 30.810 ( 3.120 -2.927 2.240) 4.829 30.841 ( -1.814 -2.758 1.536) 3.642 30.967 ( 7.063 -8.584 21.651) 24.338 31.191 ( 0.039 -8.300 -7.590) 11.247 31.528 ( 0.672 -1.090 7.759) 7.864 31.746 ( -1.635 3.000 -18.730) 19.039 32.014 ( 1.813 5.753 3.267) 6.860 32.111 ( 0.201 0.512 -11.828) 11.841 32.801 ( 4.739 -5.909 0.204) 7.578 32.881 ( -2.379 -6.332 -3.857) 7.787 33.739 ( 7.030 2.098 -6.139) 9.566 33.772 ( -7.235 2.330 7.959) 11.005 35.431 ( 0.179 -0.856 2.061) 2.239 35.452 ( 0.557 -1.050 -1.829) 2.182 35.828 ( 5.553 -3.366 -5.256) 8.354 35.861 ( -5.819 -2.568 4.890) 8.023 36.241 ( 1.022 -2.411 0.190) 2.626 36.295 ( -5.474 -0.876 -0.564) 5.572 38.087 ( 3.166 8.539 27.898) 29.347 38.464 ( -6.386 13.157 -23.212) 27.435 ======================= Grid point 233 (113/114) ======================= q-point: ( 0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 7.104 -5.488 -4.565) 10.071 1.732 ( -7.104 -5.488 4.565) 10.071 2.052 ( -0.204 -3.249 -3.939) 5.111 2.052 ( 0.204 -3.249 3.939) 5.111 2.815 ( 1.025 3.055 -2.913) 4.344 2.815 ( -1.025 3.055 2.913) 4.344 3.066 ( -8.463 -17.540 -5.188) 20.154 3.066 ( 8.463 -17.540 5.188) 20.154 3.456 ( -9.755 -9.502 -5.050) 14.524 3.456 ( 9.755 -9.502 5.050) 14.524 3.549 ( -0.421 4.572 -4.446) 6.391 3.549 ( 0.421 4.572 4.446) 6.391 3.868 ( -5.418 1.388 -1.766) 5.866 3.868 ( 5.418 1.388 1.766) 5.866 4.284 ( -8.876 1.536 -7.179) 11.519 4.284 ( 8.876 1.536 7.179) 11.519 4.594 ( -1.780 -0.414 -2.168) 2.835 4.594 ( 1.780 -0.414 2.168) 2.835 4.959 ( -7.087 -0.367 -6.356) 9.527 4.959 ( 7.087 -0.367 6.356) 9.527 5.242 ( -2.685 1.824 -1.928) 3.775 5.242 ( 2.685 1.824 1.928) 3.775 5.645 ( 2.308 3.820 -5.927) 7.420 5.645 ( -2.308 3.820 5.927) 7.420 5.895 ( -0.435 -0.786 -5.877) 5.946 5.895 ( 0.435 -0.786 5.877) 5.946 6.220 ( 4.514 5.555 -4.118) 8.258 6.220 ( -4.514 5.555 4.118) 8.258 6.636 ( -0.883 2.813 -3.036) 4.232 6.636 ( 0.883 2.813 3.036) 4.232 7.842 ( -6.008 -0.432 -6.692) 9.003 7.842 ( 6.008 -0.432 6.692) 9.003 8.226 ( 3.212 -0.145 -3.278) 4.592 8.226 ( -3.212 -0.145 3.278) 4.592 9.021 ( -0.780 5.330 -2.284) 5.851 9.021 ( 0.780 5.330 2.284) 5.851 9.244 ( -4.467 -1.653 0.114) 4.765 9.244 ( 4.467 -1.653 -0.114) 4.765 9.628 ( -1.189 3.523 -1.632) 4.061 9.628 ( 1.189 3.523 1.632) 4.061 9.822 ( 0.326 -2.249 -3.346) 4.045 9.822 ( -0.326 -2.249 3.346) 4.045 10.288 ( -5.640 -5.775 -5.851) 9.970 10.288 ( 5.640 -5.775 5.851) 9.970 10.619 ( 2.704 8.092 -5.917) 10.383 10.619 ( -2.704 8.092 5.917) 10.383 11.162 ( -1.290 4.048 -4.712) 6.344 11.162 ( 1.290 4.048 4.712) 6.344 11.388 ( 0.983 -0.955 -5.252) 5.428 11.388 ( -0.983 -0.955 5.252) 5.428 11.908 ( -5.304 -2.812 -2.495) 6.501 11.908 ( 5.304 -2.812 2.495) 6.501 12.254 ( 2.049 4.956 -3.584) 6.450 12.254 ( -2.049 4.956 3.584) 6.450 12.455 ( -0.692 6.652 -2.352) 7.090 12.455 ( 0.692 6.652 2.352) 7.090 12.839 ( -3.604 0.798 -1.943) 4.172 12.839 ( 3.604 0.798 1.943) 4.172 13.359 ( 2.059 1.738 -5.336) 5.978 13.359 ( -2.059 1.738 5.336) 5.978 13.827 ( -6.882 -8.166 -4.164) 11.462 13.827 ( 6.882 -8.166 4.164) 11.462 14.445 ( -4.873 3.520 -2.728) 6.602 14.445 ( 4.873 3.520 2.728) 6.602 15.121 ( -2.305 -7.183 -2.646) 7.995 15.121 ( 2.305 -7.183 2.646) 7.995 15.507 ( 1.040 -7.810 -4.676) 9.162 15.507 ( -1.040 -7.810 4.676) 9.162 15.976 ( -5.201 -6.288 -12.149) 14.635 15.976 ( 5.201 -6.288 12.149) 14.635 16.604 ( -0.425 4.168 -0.131) 4.191 16.604 ( 0.425 4.168 0.131) 4.191 17.076 ( -1.394 -3.617 -2.914) 4.850 17.076 ( 1.394 -3.617 2.914) 4.850 17.466 ( -2.841 -2.146 -4.177) 5.488 17.466 ( 2.841 -2.146 4.177) 5.488 19.863 ( -3.064 -5.854 0.315) 6.615 19.863 ( 3.064 -5.854 -0.315) 6.615 20.771 ( 2.132 7.997 -3.072) 8.828 20.771 ( -2.132 7.997 3.072) 8.828 22.469 ( 0.721 -9.900 -4.668) 10.969 22.469 ( -0.721 -9.900 4.668) 10.969 23.206 ( 3.654 7.882 -5.381) 10.219 23.206 ( -3.654 7.882 5.381) 10.219 27.439 ( -7.735 -21.581 0.638) 22.934 27.439 ( 7.735 -21.581 -0.638) 22.934 29.052 ( -4.744 19.295 -7.175) 21.126 29.052 ( 4.744 19.295 7.175) 21.126 30.908 ( 0.186 -5.591 -1.135) 5.708 30.908 ( -0.186 -5.591 1.135) 5.708 31.264 ( -4.398 -7.481 -10.760) 13.824 31.264 ( 4.398 -7.481 10.760) 13.824 31.593 ( -1.741 2.603 -10.771) 11.217 31.593 ( 1.741 2.603 10.771) 11.217 31.998 ( -2.264 2.426 -13.131) 13.543 31.998 ( 2.264 2.426 13.131) 13.543 32.974 ( -2.558 -8.324 -2.992) 9.208 32.974 ( 2.558 -8.324 2.992) 9.208 33.701 ( 6.135 4.054 -7.071) 10.202 33.701 ( -6.135 4.054 7.071) 10.202 35.468 ( -0.157 -1.749 -1.797) 2.512 35.468 ( 0.157 -1.749 1.797) 2.512 35.899 ( 3.663 -2.805 -4.338) 6.333 35.899 ( -3.663 -2.805 4.338) 6.333 36.315 ( 1.159 -4.703 -3.117) 5.760 36.315 ( -1.159 -4.703 3.117) 5.760 38.035 ( -1.081 15.002 -24.095) 28.404 38.035 ( 1.081 15.002 24.095) 28.404 ======================= Grid point 243 (114/114) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -12.455 0.000 -7.172) 14.372 1.730 ( 12.455 -0.000 7.172) 14.372 2.059 ( 3.358 -0.000 -3.664) 4.970 2.059 ( -3.358 0.000 3.664) 4.970 2.764 ( -15.507 0.000 2.509) 15.709 2.764 ( 15.507 -0.000 -2.509) 15.709 2.837 ( 3.124 -0.000 -3.697) 4.840 2.837 ( -3.124 0.000 3.697) 4.840 3.021 ( 11.580 -0.000 -5.826) 12.963 3.021 ( -11.580 0.000 5.826) 12.963 3.663 ( -0.126 0.000 -2.902) 2.905 3.663 ( 0.126 -0.000 2.902) 2.905 3.928 ( -2.774 0.000 -5.304) 5.986 3.928 ( 2.774 -0.000 5.304) 5.986 4.332 ( -3.915 0.000 -5.597) 6.830 4.332 ( 3.915 -0.000 5.597) 6.830 4.601 ( -5.973 0.000 -7.355) 9.475 4.601 ( 5.973 -0.000 7.355) 9.475 4.968 ( -3.563 0.000 -0.874) 3.668 4.968 ( 3.563 -0.000 0.874) 3.668 5.270 ( -1.608 0.000 -3.360) 3.725 5.270 ( 1.608 -0.000 3.360) 3.725 5.584 ( -11.373 0.000 -4.661) 12.291 5.584 ( 11.373 -0.000 4.661) 12.291 6.010 ( -6.239 0.000 -0.410) 6.252 6.010 ( 6.239 -0.000 0.410) 6.252 6.342 ( 1.403 -0.000 -0.569) 1.514 6.342 ( -1.403 0.000 0.569) 1.514 6.692 ( -1.014 0.000 -1.178) 1.554 6.692 ( 1.014 -0.000 1.178) 1.554 7.823 ( -5.142 0.000 -5.062) 7.215 7.823 ( 5.142 -0.000 5.062) 7.215 8.270 ( -3.303 0.000 -0.091) 3.305 8.270 ( 3.303 -0.000 0.091) 3.305 9.157 ( 0.620 -0.000 -3.928) 3.976 9.157 ( -0.620 0.000 3.928) 3.976 9.260 ( -3.716 0.000 -1.600) 4.046 9.260 ( 3.716 -0.000 1.600) 4.046 9.663 ( -1.043 0.000 -3.419) 3.574 9.663 ( 1.043 -0.000 3.419) 3.574 9.705 ( -6.329 0.000 -13.241) 14.676 9.705 ( 6.329 -0.000 13.241) 14.676 10.156 ( -5.730 0.000 -7.597) 9.516 10.156 ( 5.730 -0.000 7.597) 9.516 10.781 ( 3.022 -0.000 -7.267) 7.870 10.781 ( -3.022 0.000 7.267) 7.870 11.269 ( -4.211 0.000 -4.613) 6.246 11.269 ( 4.211 -0.000 4.613) 6.246 11.425 ( -1.050 0.000 -9.552) 9.609 11.425 ( 1.050 -0.000 9.552) 9.609 11.821 ( -5.594 0.000 -1.499) 5.791 11.821 ( 5.594 -0.000 1.499) 5.791 12.505 ( 1.467 -0.000 -2.647) 3.027 12.505 ( -1.467 0.000 2.647) 3.027 12.575 ( 3.205 -0.000 -3.982) 5.112 12.575 ( -3.205 0.000 3.982) 5.112 12.811 ( 3.731 -0.000 -1.432) 3.997 12.811 ( -3.731 0.000 1.432) 3.997 13.429 ( -0.932 0.000 -3.579) 3.698 13.429 ( 0.932 -0.000 3.579) 3.698 13.610 ( -0.548 0.000 -2.016) 2.089 13.610 ( 0.548 -0.000 2.016) 2.089 14.451 ( -1.984 0.000 -0.320) 2.010 14.451 ( 1.984 -0.000 0.320) 2.010 14.972 ( -1.442 0.000 -4.659) 4.877 14.972 ( 1.442 -0.000 4.659) 4.877 15.207 ( 2.336 -0.000 -1.201) 2.627 15.207 ( -2.336 0.000 1.201) 2.627 15.824 ( -12.230 0.000 -18.757) 22.392 15.824 ( 12.230 -0.000 18.757) 22.392 16.777 ( 0.402 -0.000 -1.077) 1.150 16.777 ( -0.402 0.000 1.077) 1.150 17.005 ( 1.430 -0.000 -1.709) 2.228 17.005 ( -1.430 0.000 1.709) 2.228 17.385 ( -5.147 0.000 -5.888) 7.820 17.385 ( 5.147 -0.000 5.888) 7.820 19.778 ( -6.629 0.000 -3.393) 7.447 19.778 ( 6.629 -0.000 3.393) 7.447 20.944 ( 2.343 -0.000 -0.869) 2.499 20.944 ( -2.343 0.000 0.869) 2.499 22.245 ( 0.020 -0.000 -5.560) 5.560 22.245 ( -0.020 0.000 5.560) 5.560 23.373 ( 3.349 -0.000 -3.450) 4.809 23.373 ( -3.349 0.000 3.450) 4.809 26.972 ( 0.079 -0.000 -0.101) 0.128 26.972 ( -0.079 0.000 0.101) 0.128 29.481 ( -3.511 0.000 -3.293) 4.814 29.481 ( 3.511 -0.000 3.293) 4.814 30.803 ( -1.959 0.000 0.392) 1.998 30.803 ( 1.959 -0.000 -0.392) 1.998 31.040 ( 0.601 -0.000 -19.851) 19.860 31.040 ( -0.601 0.000 19.851) 19.860 31.617 ( -4.581 0.000 -19.081) 19.623 31.617 ( 4.581 -0.000 19.081) 19.623 32.090 ( -1.389 0.000 0.420) 1.451 32.090 ( 1.389 -0.000 -0.420) 1.451 32.782 ( -3.700 0.000 -1.481) 3.986 32.782 ( 3.700 -0.000 1.481) 3.986 33.777 ( 8.041 -0.000 -7.775) 11.185 33.777 ( -8.041 0.000 7.775) 11.185 35.435 ( 0.590 -0.000 -2.516) 2.584 35.435 ( -0.590 0.000 2.516) 2.584 35.814 ( 6.315 -0.000 -4.974) 8.039 35.814 ( -6.315 0.000 4.974) 8.039 36.245 ( -4.761 0.000 0.419) 4.780 36.245 ( 4.761 -0.000 -0.419) 4.780 38.377 ( -8.081 0.000 -27.280) 28.452 38.377 ( 8.081 -0.000 27.280) 28.452 =================== 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 3/41472 10.0 814.073 408.505 533.401 -0.000 190.657 -0.000 3/41472 20.0 96.237 73.392 73.658 -0.000 18.874 -0.000 3/41472 30.0 35.021 29.235 28.372 -0.000 6.236 -0.000 3/41472 40.0 19.386 16.774 15.901 -0.000 3.184 -0.000 3/41472 50.0 13.020 11.424 10.676 -0.000 2.013 -0.000 3/41472 60.0 9.722 8.563 7.944 -0.000 1.444 -0.000 3/41472 70.0 7.742 6.815 6.301 -0.000 1.122 -0.000 3/41472 80.0 6.430 5.649 5.215 -0.000 0.919 -0.000 3/41472 90.0 5.499 4.820 4.449 -0.000 0.781 -0.000 3/41472 100.0 4.807 4.205 3.881 -0.000 0.682 -0.000 3/41472 110.0 4.272 3.732 3.444 -0.000 0.607 -0.000 3/41472 120.0 3.847 3.358 3.099 -0.000 0.549 -0.000 3/41472 130.0 3.502 3.057 2.820 -0.000 0.502 -0.000 3/41472 140.0 3.217 2.811 2.589 -0.000 0.464 -0.000 3/41472 150.0 2.977 2.605 2.396 -0.000 0.432 -0.000 3/41472 160.0 2.772 2.432 2.232 -0.000 0.404 -0.000 3/41472 170.0 2.596 2.285 2.090 -0.000 0.381 -0.000 3/41472 180.0 2.443 2.158 1.968 -0.000 0.360 -0.000 3/41472 190.0 2.309 2.048 1.861 -0.000 0.341 -0.000 3/41472 200.0 2.191 1.953 1.767 -0.000 0.325 -0.000 3/41472 210.0 2.085 1.868 1.683 -0.000 0.310 -0.000 3/41472 220.0 1.991 1.794 1.609 -0.000 0.296 -0.000 3/41472 230.0 1.906 1.728 1.542 -0.000 0.283 -0.000 3/41472 240.0 1.830 1.668 1.483 -0.000 0.272 -0.000 3/41472 250.0 1.761 1.615 1.428 -0.000 0.261 -0.000 3/41472 260.0 1.698 1.567 1.379 -0.000 0.251 -0.000 3/41472 270.0 1.640 1.522 1.335 -0.000 0.241 -0.000 3/41472 280.0 1.588 1.482 1.294 -0.000 0.232 -0.000 3/41472 290.0 1.539 1.445 1.256 -0.000 0.224 -0.000 3/41472 300.0 1.494 1.411 1.222 -0.000 0.216 -0.000 3/41472 310.0 1.452 1.379 1.190 -0.000 0.208 -0.000 3/41472 320.0 1.414 1.349 1.161 -0.000 0.201 -0.000 3/41472 330.0 1.378 1.321 1.133 -0.000 0.194 -0.000 3/41472 340.0 1.344 1.295 1.107 -0.000 0.187 -0.000 3/41472 350.0 1.312 1.271 1.083 -0.000 0.181 -0.000 3/41472 360.0 1.282 1.247 1.061 -0.000 0.175 -0.000 3/41472 370.0 1.254 1.225 1.040 -0.000 0.169 -0.000 3/41472 380.0 1.228 1.204 1.019 -0.000 0.164 -0.000 3/41472 390.0 1.202 1.184 1.000 -0.000 0.159 -0.000 3/41472 400.0 1.178 1.164 0.982 -0.000 0.154 -0.000 3/41472 410.0 1.156 1.146 0.965 -0.000 0.149 -0.000 3/41472 420.0 1.134 1.128 0.949 -0.000 0.144 -0.000 3/41472 430.0 1.113 1.110 0.933 -0.000 0.140 -0.000 3/41472 440.0 1.093 1.094 0.918 -0.000 0.136 -0.000 3/41472 450.0 1.074 1.078 0.904 -0.000 0.132 -0.000 3/41472 460.0 1.056 1.062 0.890 -0.000 0.128 -0.000 3/41472 470.0 1.039 1.047 0.876 -0.000 0.124 -0.000 3/41472 480.0 1.022 1.032 0.863 -0.000 0.121 -0.000 3/41472 490.0 1.005 1.018 0.851 -0.000 0.118 -0.000 3/41472 500.0 0.990 1.004 0.839 -0.000 0.114 -0.000 3/41472 510.0 0.974 0.991 0.827 -0.000 0.111 -0.000 3/41472 520.0 0.960 0.977 0.816 -0.000 0.108 -0.000 3/41472 530.0 0.946 0.965 0.805 -0.000 0.106 -0.000 3/41472 540.0 0.932 0.952 0.794 -0.000 0.103 -0.000 3/41472 550.0 0.918 0.940 0.784 -0.000 0.100 -0.000 3/41472 560.0 0.905 0.928 0.774 -0.000 0.098 -0.000 3/41472 570.0 0.893 0.917 0.764 -0.000 0.095 -0.000 3/41472 580.0 0.881 0.905 0.754 -0.000 0.093 -0.000 3/41472 590.0 0.869 0.894 0.745 -0.000 0.091 -0.000 3/41472 600.0 0.857 0.883 0.736 -0.000 0.089 -0.000 3/41472 610.0 0.846 0.873 0.727 -0.000 0.087 -0.000 3/41472 620.0 0.835 0.862 0.718 -0.000 0.085 -0.000 3/41472 630.0 0.824 0.852 0.710 -0.000 0.083 -0.000 3/41472 640.0 0.814 0.842 0.702 -0.000 0.081 -0.000 3/41472 650.0 0.804 0.833 0.694 -0.000 0.079 -0.000 3/41472 660.0 0.794 0.823 0.686 -0.000 0.077 -0.000 3/41472 670.0 0.784 0.814 0.678 -0.000 0.076 -0.000 3/41472 680.0 0.775 0.805 0.670 -0.000 0.074 -0.000 3/41472 690.0 0.766 0.796 0.663 -0.000 0.073 -0.000 3/41472 700.0 0.757 0.787 0.656 -0.000 0.071 -0.000 3/41472 710.0 0.748 0.778 0.649 -0.000 0.070 -0.000 3/41472 720.0 0.739 0.770 0.642 -0.000 0.068 -0.000 3/41472 730.0 0.731 0.762 0.635 -0.000 0.067 -0.000 3/41472 740.0 0.723 0.753 0.628 -0.000 0.066 -0.000 3/41472 750.0 0.715 0.745 0.621 -0.000 0.065 -0.000 3/41472 760.0 0.707 0.738 0.615 -0.000 0.063 -0.000 3/41472 770.0 0.699 0.730 0.609 -0.000 0.062 -0.000 3/41472 780.0 0.691 0.722 0.602 -0.000 0.061 -0.000 3/41472 790.0 0.684 0.715 0.596 -0.000 0.060 -0.000 3/41472 800.0 0.677 0.708 0.590 -0.000 0.059 -0.000 3/41472 810.0 0.670 0.701 0.585 -0.000 0.058 -0.000 3/41472 820.0 0.663 0.694 0.579 -0.000 0.057 -0.000 3/41472 830.0 0.656 0.687 0.573 -0.000 0.056 -0.000 3/41472 840.0 0.649 0.680 0.568 -0.000 0.055 -0.000 3/41472 850.0 0.643 0.674 0.562 -0.000 0.054 -0.000 3/41472 860.0 0.636 0.667 0.557 -0.000 0.053 -0.000 3/41472 870.0 0.630 0.661 0.552 -0.000 0.053 -0.000 3/41472 880.0 0.624 0.654 0.546 -0.000 0.052 -0.000 3/41472 890.0 0.618 0.648 0.541 -0.000 0.051 -0.000 3/41472 900.0 0.612 0.642 0.536 -0.000 0.050 -0.000 3/41472 910.0 0.606 0.636 0.531 -0.000 0.049 -0.000 3/41472 920.0 0.600 0.630 0.527 -0.000 0.049 -0.000 3/41472 930.0 0.594 0.625 0.522 -0.000 0.048 -0.000 3/41472 940.0 0.589 0.619 0.517 -0.000 0.047 -0.000 3/41472 950.0 0.583 0.614 0.513 -0.000 0.047 -0.000 3/41472 960.0 0.578 0.608 0.508 -0.000 0.046 -0.000 3/41472 970.0 0.573 0.603 0.504 -0.000 0.045 -0.000 3/41472 980.0 0.568 0.597 0.499 -0.000 0.045 -0.000 3/41472 990.0 0.563 0.592 0.495 -0.000 0.044 -0.000 3/41472 1000.0 0.558 0.587 0.491 -0.000 0.043 -0.000 3/41472 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:22:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|