----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:21:34]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.063790969999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.832776660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.851354010000000 Atomic positions (fractional): *1 Nb 0.34101005969484 0.24634734313338 0.25000000000000 92.906 2 Nb 0.34101005969484 0.25365265686662 0.75000000000000 92.906 3 Nb 0.65898994030516 0.75365265686662 0.75000000000000 92.906 4 Nb 0.65898994030516 0.74634734313338 0.25000000000000 92.906 *5 Nb 0.84434968740763 0.25000000000000 0.00000000000000 92.906 6 Nb 0.15565031259237 0.75000000000000 0.50000000000000 92.906 7 Nb 0.15565031259237 0.75000000000000 0.00000000000000 92.906 8 Nb 0.84434968740763 0.25000000000000 0.50000000000000 92.906 *9 Ca 0.30962400118235 0.99560151569460 0.75000000000000 40.078 10 Ca 0.30962400118235 0.50439848430540 0.25000000000000 40.078 11 Ca 0.69037599881765 0.00439848430540 0.25000000000000 40.078 12 Ca 0.69037599881765 0.49560151569460 0.75000000000000 40.078 *13 O 0.50783635462501 0.13676806707685 0.99520371160011 15.999 14 O 0.50783635462501 0.36323193292314 0.00479628839989 15.999 15 O 0.49216364537499 0.86323193292314 0.49520371160011 15.999 16 O 0.49216364537499 0.63676806707686 0.50479628839989 15.999 17 O 0.49216364537499 0.86323193292314 0.00479628839989 15.999 18 O 0.49216364537499 0.63676806707686 0.99520371160011 15.999 19 O 0.50783635462501 0.13676806707685 0.50479628839989 15.999 20 O 0.50783635462501 0.36323193292314 0.49520371160011 15.999 *21 O 0.00648650640176 0.13885793400929 0.25000000000000 15.999 22 O 0.00648650640176 0.36114206599071 0.75000000000000 15.999 23 O 0.99351349359824 0.86114206599071 0.75000000000000 15.999 24 O 0.99351349359824 0.63885793400929 0.25000000000000 15.999 *25 O 0.01462879224684 0.35782074928324 0.25000000000000 15.999 26 O 0.01462879224684 0.14217925071676 0.75000000000000 15.999 27 O 0.98537120775316 0.64217925071676 0.75000000000000 15.999 28 O 0.98537120775316 0.85782074928324 0.25000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.063790969999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.832776660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.851354010000000 Atomic positions (fractional): *1 Nb 0.34101005969484 0.24634734313338 0.25000000000000 92.906 > 1 2 Nb 0.34101005969484 0.25365265686662 0.75000000000000 92.906 > 2 3 Nb 0.65898994030516 0.75365265686662 0.75000000000000 92.906 > 3 4 Nb 0.65898994030516 0.74634734313338 0.25000000000000 92.906 > 4 *5 Nb 0.84434968740763 0.25000000000000 0.00000000000000 92.906 > 5 6 Nb 0.15565031259237 0.75000000000000 0.50000000000000 92.906 > 6 7 Nb 0.15565031259237 0.75000000000000 0.00000000000000 92.906 > 7 8 Nb 0.84434968740763 0.25000000000000 0.50000000000000 92.906 > 8 *9 Ca 0.30962400118235 0.99560151569460 0.75000000000000 40.078 > 9 10 Ca 0.30962400118235 0.50439848430540 0.25000000000000 40.078 > 10 11 Ca 0.69037599881765 0.00439848430540 0.25000000000000 40.078 > 11 12 Ca 0.69037599881765 0.49560151569460 0.75000000000000 40.078 > 12 *13 O 0.50783635462501 0.13676806707685 0.99520371160011 15.999 > 13 14 O 0.50783635462501 0.36323193292314 0.00479628839989 15.999 > 14 15 O 0.49216364537499 0.86323193292314 0.49520371160011 15.999 > 15 16 O 0.49216364537499 0.63676806707686 0.50479628839989 15.999 > 16 17 O 0.49216364537499 0.86323193292314 0.00479628839989 15.999 > 17 18 O 0.49216364537499 0.63676806707686 0.99520371160011 15.999 > 18 19 O 0.50783635462501 0.13676806707685 0.50479628839989 15.999 > 19 20 O 0.50783635462501 0.36323193292314 0.49520371160011 15.999 > 20 *21 O 0.00648650640176 0.13885793400929 0.25000000000000 15.999 > 21 22 O 0.00648650640176 0.36114206599071 0.75000000000000 15.999 > 22 23 O 0.99351349359824 0.86114206599071 0.75000000000000 15.999 > 23 24 O 0.99351349359824 0.63885793400929 0.25000000000000 15.999 > 24 *25 O 0.01462879224684 0.35782074928324 0.25000000000000 15.999 > 25 26 O 0.01462879224684 0.14217925071676 0.75000000000000 15.999 > 26 27 O 0.98537120775316 0.64217925071676 0.75000000000000 15.999 > 27 28 O 0.98537120775316 0.85782074928324 0.25000000000000 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.127581939999997 0.000000000000000 0.000000000000000 b 0.000000000000000 11.832776660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.702708019999999 Atomic positions (fractional): *1 Nb 0.17050502984742 0.24634734313338 0.12500000000000 92.906 > 1 2 Nb 0.67050502984742 0.24634734313338 0.12500000000000 92.906 > 1 3 Nb 0.17050502984742 0.24634734313338 0.62500000000000 92.906 > 1 4 Nb 0.67050502984742 0.24634734313338 0.62500000000000 92.906 > 1 5 Nb 0.17050502984742 0.25365265686662 0.37500000000000 92.906 > 2 6 Nb 0.67050502984742 0.25365265686662 0.37500000000000 92.906 > 2 7 Nb 0.17050502984742 0.25365265686662 0.87500000000000 92.906 > 2 8 Nb 0.67050502984742 0.25365265686662 0.87500000000000 92.906 > 2 9 Nb 0.32949497015258 0.75365265686662 0.37500000000000 92.906 > 3 10 Nb 0.82949497015258 0.75365265686662 0.37500000000000 92.906 > 3 11 Nb 0.32949497015258 0.75365265686662 0.87500000000000 92.906 > 3 12 Nb 0.82949497015258 0.75365265686662 0.87500000000000 92.906 > 3 13 Nb 0.32949497015258 0.74634734313338 0.12500000000000 92.906 > 4 14 Nb 0.82949497015258 0.74634734313338 0.12500000000000 92.906 > 4 15 Nb 0.32949497015258 0.74634734313338 0.62500000000000 92.906 > 4 16 Nb 0.82949497015258 0.74634734313338 0.62500000000000 92.906 > 4 *17 Nb 0.42217484370382 0.25000000000000 0.00000000000000 92.906 > 5 18 Nb 0.92217484370382 0.25000000000000 0.00000000000000 92.906 > 5 19 Nb 0.42217484370382 0.25000000000000 0.50000000000000 92.906 > 5 20 Nb 0.92217484370382 0.25000000000000 0.50000000000000 92.906 > 5 21 Nb 0.07782515629618 0.75000000000000 0.25000000000000 92.906 > 6 22 Nb 0.57782515629618 0.75000000000000 0.25000000000000 92.906 > 6 23 Nb 0.07782515629618 0.75000000000000 0.75000000000000 92.906 > 6 24 Nb 0.57782515629618 0.75000000000000 0.75000000000000 92.906 > 6 25 Nb 0.07782515629618 0.75000000000000 0.00000000000000 92.906 > 7 26 Nb 0.57782515629618 0.75000000000000 0.00000000000000 92.906 > 7 27 Nb 0.07782515629618 0.75000000000000 0.50000000000000 92.906 > 7 28 Nb 0.57782515629618 0.75000000000000 0.50000000000000 92.906 > 7 29 Nb 0.42217484370382 0.25000000000000 0.25000000000000 92.906 > 8 30 Nb 0.92217484370382 0.25000000000000 0.25000000000000 92.906 > 8 31 Nb 0.42217484370382 0.25000000000000 0.75000000000000 92.906 > 8 32 Nb 0.92217484370382 0.25000000000000 0.75000000000000 92.906 > 8 *33 Ca 0.15481200059118 0.99560151569460 0.37500000000000 40.078 > 9 34 Ca 0.65481200059118 0.99560151569460 0.37500000000000 40.078 > 9 35 Ca 0.15481200059118 0.99560151569460 0.87500000000000 40.078 > 9 36 Ca 0.65481200059118 0.99560151569460 0.87500000000000 40.078 > 9 37 Ca 0.15481200059118 0.50439848430540 0.12500000000000 40.078 > 10 38 Ca 0.65481200059118 0.50439848430540 0.12500000000000 40.078 > 10 39 Ca 0.15481200059118 0.50439848430540 0.62500000000000 40.078 > 10 40 Ca 0.65481200059118 0.50439848430540 0.62500000000000 40.078 > 10 41 Ca 0.34518799940882 0.00439848430540 0.12500000000000 40.078 > 11 42 Ca 0.84518799940882 0.00439848430540 0.12500000000000 40.078 > 11 43 Ca 0.34518799940882 0.00439848430540 0.62500000000000 40.078 > 11 44 Ca 0.84518799940882 0.00439848430540 0.62500000000000 40.078 > 11 45 Ca 0.34518799940882 0.49560151569460 0.37500000000000 40.078 > 12 46 Ca 0.84518799940882 0.49560151569460 0.37500000000000 40.078 > 12 47 Ca 0.34518799940882 0.49560151569460 0.87500000000000 40.078 > 12 48 Ca 0.84518799940882 0.49560151569460 0.87500000000000 40.078 > 12 *49 O 0.25391817731250 0.13676806707685 0.49760185580005 15.999 > 13 50 O 0.75391817731250 0.13676806707685 0.49760185580005 15.999 > 13 51 O 0.25391817731250 0.13676806707685 0.99760185580005 15.999 > 13 52 O 0.75391817731250 0.13676806707685 0.99760185580005 15.999 > 13 53 O 0.25391817731250 0.36323193292314 0.00239814419995 15.999 > 14 54 O 0.75391817731250 0.36323193292314 0.00239814419995 15.999 > 14 55 O 0.25391817731250 0.36323193292314 0.50239814419995 15.999 > 14 56 O 0.75391817731250 0.36323193292314 0.50239814419995 15.999 > 14 57 O 0.24608182268750 0.86323193292314 0.24760185580005 15.999 > 15 58 O 0.74608182268750 0.86323193292314 0.24760185580005 15.999 > 15 59 O 0.24608182268750 0.86323193292314 0.74760185580005 15.999 > 15 60 O 0.74608182268750 0.86323193292314 0.74760185580005 15.999 > 15 61 O 0.24608182268750 0.63676806707686 0.25239814419995 15.999 > 16 62 O 0.74608182268750 0.63676806707686 0.25239814419995 15.999 > 16 63 O 0.24608182268750 0.63676806707686 0.75239814419995 15.999 > 16 64 O 0.74608182268750 0.63676806707686 0.75239814419995 15.999 > 16 65 O 0.24608182268750 0.86323193292314 0.00239814419995 15.999 > 17 66 O 0.74608182268750 0.86323193292314 0.00239814419995 15.999 > 17 67 O 0.24608182268750 0.86323193292314 0.50239814419995 15.999 > 17 68 O 0.74608182268750 0.86323193292314 0.50239814419995 15.999 > 17 69 O 0.24608182268750 0.63676806707686 0.49760185580005 15.999 > 18 70 O 0.74608182268750 0.63676806707686 0.49760185580005 15.999 > 18 71 O 0.24608182268750 0.63676806707686 0.99760185580005 15.999 > 18 72 O 0.74608182268750 0.63676806707686 0.99760185580005 15.999 > 18 73 O 0.25391817731250 0.13676806707685 0.25239814419995 15.999 > 19 74 O 0.75391817731250 0.13676806707685 0.25239814419995 15.999 > 19 75 O 0.25391817731250 0.13676806707685 0.75239814419995 15.999 > 19 76 O 0.75391817731250 0.13676806707685 0.75239814419995 15.999 > 19 77 O 0.25391817731250 0.36323193292314 0.24760185580005 15.999 > 20 78 O 0.75391817731250 0.36323193292314 0.24760185580005 15.999 > 20 79 O 0.25391817731250 0.36323193292314 0.74760185580005 15.999 > 20 80 O 0.75391817731250 0.36323193292314 0.74760185580005 15.999 > 20 *81 O 0.00324325320088 0.13885793400929 0.12500000000000 15.999 > 21 82 O 0.50324325320088 0.13885793400929 0.12500000000000 15.999 > 21 83 O 0.00324325320088 0.13885793400929 0.62500000000000 15.999 > 21 84 O 0.50324325320088 0.13885793400929 0.62500000000000 15.999 > 21 85 O 0.00324325320088 0.36114206599071 0.37500000000000 15.999 > 22 86 O 0.50324325320088 0.36114206599071 0.37500000000000 15.999 > 22 87 O 0.00324325320088 0.36114206599071 0.87500000000000 15.999 > 22 88 O 0.50324325320088 0.36114206599071 0.87500000000000 15.999 > 22 89 O 0.49675674679912 0.86114206599071 0.37500000000000 15.999 > 23 90 O 0.99675674679912 0.86114206599071 0.37500000000000 15.999 > 23 91 O 0.49675674679912 0.86114206599071 0.87500000000000 15.999 > 23 92 O 0.99675674679912 0.86114206599071 0.87500000000000 15.999 > 23 93 O 0.49675674679912 0.63885793400929 0.12500000000000 15.999 > 24 94 O 0.99675674679912 0.63885793400929 0.12500000000000 15.999 > 24 95 O 0.49675674679912 0.63885793400929 0.62500000000000 15.999 > 24 96 O 0.99675674679912 0.63885793400929 0.62500000000000 15.999 > 24 *97 O 0.00731439612342 0.35782074928324 0.12500000000000 15.999 > 25 98 O 0.50731439612342 0.35782074928324 0.12500000000000 15.999 > 25 99 O 0.00731439612342 0.35782074928324 0.62500000000000 15.999 > 25 100 O 0.50731439612342 0.35782074928324 0.62500000000000 15.999 > 25 101 O 0.00731439612342 0.14217925071676 0.37500000000000 15.999 > 26 102 O 0.50731439612342 0.14217925071676 0.37500000000000 15.999 > 26 103 O 0.00731439612342 0.14217925071676 0.87500000000000 15.999 > 26 104 O 0.50731439612342 0.14217925071676 0.87500000000000 15.999 > 26 105 O 0.49268560387658 0.64217925071676 0.37500000000000 15.999 > 27 106 O 0.99268560387658 0.64217925071676 0.37500000000000 15.999 > 27 107 O 0.49268560387658 0.64217925071676 0.87500000000000 15.999 > 27 108 O 0.99268560387658 0.64217925071676 0.87500000000000 15.999 > 27 109 O 0.49268560387658 0.85782074928324 0.12500000000000 15.999 > 28 110 O 0.99268560387658 0.85782074928324 0.12500000000000 15.999 > 28 111 O 0.49268560387658 0.85782074928324 0.62500000000000 15.999 > 28 112 O 0.99268560387658 0.85782074928324 0.62500000000000 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.4540076 0.0000000 0.0000000 0.0000000 4.3172142 0.0000000 0.0000000 0.0000000 10.4011498 -------------------------- Born effective charges -------------------------- 1 Nb 2.5296284 0.0312894 0.0000000 -0.0003935 1.1210728 0.0000000 0.0000000 0.0000000 2.3158278 2 Nb 2.5296284 -0.0312894 0.0000000 0.0003935 1.1210728 0.0000000 0.0000000 0.0000000 2.3158278 3 Nb 2.5296284 0.0312894 0.0000000 -0.0003935 1.1210728 0.0000000 0.0000000 0.0000000 2.3158278 4 Nb 2.5296284 -0.0312894 0.0000000 0.0003935 1.1210728 0.0000000 0.0000000 0.0000000 2.3158278 5 Nb 2.1587640 0.0000000 0.0000000 0.0000000 1.1420255 0.0946200 0.0000000 0.1623458 2.3702402 6 Nb 2.1587640 0.0000000 0.0000000 0.0000000 1.1420255 -0.0946200 0.0000000 -0.1623458 2.3702402 7 Nb 2.1587640 0.0000000 0.0000000 0.0000000 1.1420255 0.0946200 0.0000000 0.1623458 2.3702402 8 Nb 2.1587640 0.0000000 0.0000000 0.0000000 1.1420255 -0.0946200 0.0000000 -0.1623458 2.3702402 9 Ca 2.0364388 0.0160195 0.0000000 0.0314914 4.2127207 0.0000000 0.0000000 0.0000000 1.9971356 10 Ca 2.0364388 -0.0160195 0.0000000 -0.0314914 4.2127207 0.0000000 0.0000000 0.0000000 1.9971356 11 Ca 2.0364388 0.0160195 0.0000000 0.0314914 4.2127207 0.0000000 0.0000000 0.0000000 1.9971356 12 Ca 2.0364388 -0.0160195 0.0000000 -0.0314914 4.2127207 0.0000000 0.0000000 0.0000000 1.9971356 13 O -1.5542052 -0.0307298 -0.0810395 -0.0153752 -1.7438912 -0.0440423 -0.1048424 -0.0376397 -1.7445139 14 O -1.5542052 0.0307298 0.0810395 0.0153752 -1.7438912 -0.0440423 0.1048424 -0.0376397 -1.7445139 15 O -1.5542052 -0.0307298 0.0810395 -0.0153752 -1.7438912 0.0440423 0.1048424 0.0376397 -1.7445139 16 O -1.5542052 0.0307298 -0.0810395 0.0153752 -1.7438912 0.0440423 -0.1048424 0.0376397 -1.7445139 17 O -1.5542052 -0.0307298 -0.0810395 -0.0153752 -1.7438912 -0.0440423 -0.1048424 -0.0376397 -1.7445139 18 O -1.5542052 0.0307298 0.0810395 0.0153752 -1.7438912 -0.0440423 0.1048424 -0.0376397 -1.7445139 19 O -1.5542052 -0.0307298 0.0810395 -0.0153752 -1.7438912 0.0440423 0.1048424 0.0376397 -1.7445139 20 O -1.5542052 0.0307298 -0.0810395 0.0153752 -1.7438912 0.0440423 -0.1048424 0.0376397 -1.7445139 21 O -1.8420777 -0.2727064 0.0000000 -0.2742803 -1.5053275 0.0000000 0.0000000 0.0000000 -1.6440458 22 O -1.8420777 0.2727064 0.0000000 0.2742803 -1.5053275 0.0000000 0.0000000 0.0000000 -1.6440458 23 O -1.8420777 -0.2727064 0.0000000 -0.2742803 -1.5053275 0.0000000 0.0000000 0.0000000 -1.6440458 24 O -1.8420777 0.2727064 0.0000000 0.2742803 -1.5053275 0.0000000 0.0000000 0.0000000 -1.6440458 25 O -1.7743431 -0.3611498 0.0000000 -0.2791810 -1.4827091 0.0000000 0.0000000 0.0000000 -1.5501300 26 O -1.7743431 0.3611498 0.0000000 0.2791810 -1.4827091 0.0000000 0.0000000 0.0000000 -1.5501300 27 O -1.7743431 -0.3611498 0.0000000 -0.2791810 -1.4827091 0.0000000 0.0000000 0.0000000 -1.5501300 28 O -1.7743431 0.3611498 0.0000000 0.2791810 -1.4827091 0.0000000 0.0000000 0.0000000 -1.5501300 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1924 Number of blocks in projector: 1924 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: 452 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (1924, 1890), data: False |-- (272, 266), data: True |-- (272, 266), data: True |-- (272, 266), data: True |-- (324, 322), data: True |-- (332, 328), data: True |-- (452, 442), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 0.421 Solver_block: 200 / 480 - Time: 0.392 Solver_block: 300 / 480 - Time: 0.387 Solver_block: 400 / 480 - Time: 0.384 Solver_block: 480 / 480 - Time: 0.346 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.972 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1924 Number of blocks in projector: 1924 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: 452 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (1924, 1890), data: False |-- (272, 266), data: True |-- (272, 266), data: True |-- (272, 266), data: True |-- (324, 322), data: True |-- (332, 328), data: True |-- (452, 442), 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 08:21:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:21:53]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.063790969999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.832776660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.851354010000000 Atomic positions (fractional): 1 Nb 0.34101005969484 0.24634734313338 0.25000000000000 92.906 2 Nb 0.34101005969484 0.25365265686662 0.75000000000000 92.906 3 Nb 0.65898994030516 0.75365265686662 0.75000000000000 92.906 4 Nb 0.65898994030516 0.74634734313338 0.25000000000000 92.906 5 Nb 0.84434968740763 0.25000000000000 0.00000000000000 92.906 6 Nb 0.15565031259237 0.75000000000000 0.50000000000000 92.906 7 Nb 0.15565031259237 0.75000000000000 0.00000000000000 92.906 8 Nb 0.84434968740763 0.25000000000000 0.50000000000000 92.906 9 Ca 0.30962400118235 0.99560151569460 0.75000000000000 40.078 10 Ca 0.30962400118235 0.50439848430540 0.25000000000000 40.078 11 Ca 0.69037599881765 0.00439848430540 0.25000000000000 40.078 12 Ca 0.69037599881765 0.49560151569460 0.75000000000000 40.078 13 O 0.50783635462501 0.13676806707685 0.99520371160011 15.999 14 O 0.50783635462501 0.36323193292314 0.00479628839989 15.999 15 O 0.49216364537499 0.86323193292314 0.49520371160011 15.999 16 O 0.49216364537499 0.63676806707686 0.50479628839989 15.999 17 O 0.49216364537499 0.86323193292314 0.00479628839989 15.999 18 O 0.49216364537499 0.63676806707686 0.99520371160011 15.999 19 O 0.50783635462501 0.13676806707685 0.50479628839989 15.999 20 O 0.50783635462501 0.36323193292314 0.49520371160011 15.999 21 O 0.00648650640176 0.13885793400929 0.25000000000000 15.999 22 O 0.00648650640176 0.36114206599071 0.75000000000000 15.999 23 O 0.99351349359824 0.86114206599071 0.75000000000000 15.999 24 O 0.99351349359824 0.63885793400929 0.25000000000000 15.999 25 O 0.01462879224684 0.35782074928324 0.25000000000000 15.999 26 O 0.01462879224684 0.14217925071676 0.75000000000000 15.999 27 O 0.98537120775316 0.64217925071676 0.75000000000000 15.999 28 O 0.98537120775316 0.85782074928324 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.127581939999997 0.000000000000000 0.000000000000000 b 0.000000000000000 11.832776660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.702708019999999 Atomic positions (fractional): 1 Nb 0.17050502984742 0.24634734313338 0.12500000000000 92.906 > 1 2 Nb 0.67050502984742 0.24634734313338 0.12500000000000 92.906 > 1 3 Nb 0.17050502984742 0.24634734313338 0.62500000000000 92.906 > 1 4 Nb 0.67050502984742 0.24634734313338 0.62500000000000 92.906 > 1 5 Nb 0.17050502984742 0.25365265686662 0.37500000000000 92.906 > 5 6 Nb 0.67050502984742 0.25365265686662 0.37500000000000 92.906 > 5 7 Nb 0.17050502984742 0.25365265686662 0.87500000000000 92.906 > 5 8 Nb 0.67050502984742 0.25365265686662 0.87500000000000 92.906 > 5 9 Nb 0.32949497015258 0.75365265686662 0.37500000000000 92.906 > 9 10 Nb 0.82949497015258 0.75365265686662 0.37500000000000 92.906 > 9 11 Nb 0.32949497015258 0.75365265686662 0.87500000000000 92.906 > 9 12 Nb 0.82949497015258 0.75365265686662 0.87500000000000 92.906 > 9 13 Nb 0.32949497015258 0.74634734313338 0.12500000000000 92.906 > 13 14 Nb 0.82949497015258 0.74634734313338 0.12500000000000 92.906 > 13 15 Nb 0.32949497015258 0.74634734313338 0.62500000000000 92.906 > 13 16 Nb 0.82949497015258 0.74634734313338 0.62500000000000 92.906 > 13 17 Nb 0.42217484370382 0.25000000000000 0.00000000000000 92.906 > 17 18 Nb 0.92217484370382 0.25000000000000 0.00000000000000 92.906 > 17 19 Nb 0.42217484370382 0.25000000000000 0.50000000000000 92.906 > 17 20 Nb 0.92217484370382 0.25000000000000 0.50000000000000 92.906 > 17 21 Nb 0.07782515629618 0.75000000000000 0.25000000000000 92.906 > 21 22 Nb 0.57782515629618 0.75000000000000 0.25000000000000 92.906 > 21 23 Nb 0.07782515629618 0.75000000000000 0.75000000000000 92.906 > 21 24 Nb 0.57782515629618 0.75000000000000 0.75000000000000 92.906 > 21 25 Nb 0.07782515629618 0.75000000000000 0.00000000000000 92.906 > 25 26 Nb 0.57782515629618 0.75000000000000 0.00000000000000 92.906 > 25 27 Nb 0.07782515629618 0.75000000000000 0.50000000000000 92.906 > 25 28 Nb 0.57782515629618 0.75000000000000 0.50000000000000 92.906 > 25 29 Nb 0.42217484370382 0.25000000000000 0.25000000000000 92.906 > 29 30 Nb 0.92217484370382 0.25000000000000 0.25000000000000 92.906 > 29 31 Nb 0.42217484370382 0.25000000000000 0.75000000000000 92.906 > 29 32 Nb 0.92217484370382 0.25000000000000 0.75000000000000 92.906 > 29 33 Ca 0.15481200059118 0.99560151569460 0.37500000000000 40.078 > 33 34 Ca 0.65481200059118 0.99560151569460 0.37500000000000 40.078 > 33 35 Ca 0.15481200059118 0.99560151569460 0.87500000000000 40.078 > 33 36 Ca 0.65481200059118 0.99560151569460 0.87500000000000 40.078 > 33 37 Ca 0.15481200059118 0.50439848430540 0.12500000000000 40.078 > 37 38 Ca 0.65481200059118 0.50439848430540 0.12500000000000 40.078 > 37 39 Ca 0.15481200059118 0.50439848430540 0.62500000000000 40.078 > 37 40 Ca 0.65481200059118 0.50439848430540 0.62500000000000 40.078 > 37 41 Ca 0.34518799940882 0.00439848430540 0.12500000000000 40.078 > 41 42 Ca 0.84518799940882 0.00439848430540 0.12500000000000 40.078 > 41 43 Ca 0.34518799940882 0.00439848430540 0.62500000000000 40.078 > 41 44 Ca 0.84518799940882 0.00439848430540 0.62500000000000 40.078 > 41 45 Ca 0.34518799940882 0.49560151569460 0.37500000000000 40.078 > 45 46 Ca 0.84518799940882 0.49560151569460 0.37500000000000 40.078 > 45 47 Ca 0.34518799940882 0.49560151569460 0.87500000000000 40.078 > 45 48 Ca 0.84518799940882 0.49560151569460 0.87500000000000 40.078 > 45 49 O 0.25391817731250 0.13676806707685 0.49760185580005 15.999 > 49 50 O 0.75391817731250 0.13676806707685 0.49760185580005 15.999 > 49 51 O 0.25391817731250 0.13676806707685 0.99760185580005 15.999 > 49 52 O 0.75391817731250 0.13676806707685 0.99760185580005 15.999 > 49 53 O 0.25391817731250 0.36323193292314 0.00239814419995 15.999 > 53 54 O 0.75391817731250 0.36323193292314 0.00239814419995 15.999 > 53 55 O 0.25391817731250 0.36323193292314 0.50239814419995 15.999 > 53 56 O 0.75391817731250 0.36323193292314 0.50239814419995 15.999 > 53 57 O 0.24608182268750 0.86323193292314 0.24760185580005 15.999 > 57 58 O 0.74608182268750 0.86323193292314 0.24760185580005 15.999 > 57 59 O 0.24608182268750 0.86323193292314 0.74760185580005 15.999 > 57 60 O 0.74608182268750 0.86323193292314 0.74760185580005 15.999 > 57 61 O 0.24608182268750 0.63676806707686 0.25239814419995 15.999 > 61 62 O 0.74608182268750 0.63676806707686 0.25239814419995 15.999 > 61 63 O 0.24608182268750 0.63676806707686 0.75239814419995 15.999 > 61 64 O 0.74608182268750 0.63676806707686 0.75239814419995 15.999 > 61 65 O 0.24608182268750 0.86323193292314 0.00239814419995 15.999 > 65 66 O 0.74608182268750 0.86323193292314 0.00239814419995 15.999 > 65 67 O 0.24608182268750 0.86323193292314 0.50239814419995 15.999 > 65 68 O 0.74608182268750 0.86323193292314 0.50239814419995 15.999 > 65 69 O 0.24608182268750 0.63676806707686 0.49760185580005 15.999 > 69 70 O 0.74608182268750 0.63676806707686 0.49760185580005 15.999 > 69 71 O 0.24608182268750 0.63676806707686 0.99760185580005 15.999 > 69 72 O 0.74608182268750 0.63676806707686 0.99760185580005 15.999 > 69 73 O 0.25391817731250 0.13676806707685 0.25239814419995 15.999 > 73 74 O 0.75391817731250 0.13676806707685 0.25239814419995 15.999 > 73 75 O 0.25391817731250 0.13676806707685 0.75239814419995 15.999 > 73 76 O 0.75391817731250 0.13676806707685 0.75239814419995 15.999 > 73 77 O 0.25391817731250 0.36323193292314 0.24760185580005 15.999 > 77 78 O 0.75391817731250 0.36323193292314 0.24760185580005 15.999 > 77 79 O 0.25391817731250 0.36323193292314 0.74760185580005 15.999 > 77 80 O 0.75391817731250 0.36323193292314 0.74760185580005 15.999 > 77 81 O 0.00324325320088 0.13885793400929 0.12500000000000 15.999 > 81 82 O 0.50324325320088 0.13885793400929 0.12500000000000 15.999 > 81 83 O 0.00324325320088 0.13885793400929 0.62500000000000 15.999 > 81 84 O 0.50324325320088 0.13885793400929 0.62500000000000 15.999 > 81 85 O 0.00324325320088 0.36114206599071 0.37500000000000 15.999 > 85 86 O 0.50324325320088 0.36114206599071 0.37500000000000 15.999 > 85 87 O 0.00324325320088 0.36114206599071 0.87500000000000 15.999 > 85 88 O 0.50324325320088 0.36114206599071 0.87500000000000 15.999 > 85 89 O 0.49675674679912 0.86114206599071 0.37500000000000 15.999 > 89 90 O 0.99675674679912 0.86114206599071 0.37500000000000 15.999 > 89 91 O 0.49675674679912 0.86114206599071 0.87500000000000 15.999 > 89 92 O 0.99675674679912 0.86114206599071 0.87500000000000 15.999 > 89 93 O 0.49675674679912 0.63885793400929 0.12500000000000 15.999 > 93 94 O 0.99675674679912 0.63885793400929 0.12500000000000 15.999 > 93 95 O 0.49675674679912 0.63885793400929 0.62500000000000 15.999 > 93 96 O 0.99675674679912 0.63885793400929 0.62500000000000 15.999 > 93 97 O 0.00731439612342 0.35782074928324 0.12500000000000 15.999 > 97 98 O 0.50731439612342 0.35782074928324 0.12500000000000 15.999 > 97 99 O 0.00731439612342 0.35782074928324 0.62500000000000 15.999 > 97 100 O 0.50731439612342 0.35782074928324 0.62500000000000 15.999 > 97 101 O 0.00731439612342 0.14217925071676 0.37500000000000 15.999 > 101 102 O 0.50731439612342 0.14217925071676 0.37500000000000 15.999 > 101 103 O 0.00731439612342 0.14217925071676 0.87500000000000 15.999 > 101 104 O 0.50731439612342 0.14217925071676 0.87500000000000 15.999 > 101 105 O 0.49268560387658 0.64217925071676 0.37500000000000 15.999 > 105 106 O 0.99268560387658 0.64217925071676 0.37500000000000 15.999 > 105 107 O 0.49268560387658 0.64217925071676 0.87500000000000 15.999 > 105 108 O 0.99268560387658 0.64217925071676 0.87500000000000 15.999 > 105 109 O 0.49268560387658 0.85782074928324 0.12500000000000 15.999 > 109 110 O 0.99268560387658 0.85782074928324 0.12500000000000 15.999 > 109 111 O 0.49268560387658 0.85782074928324 0.62500000000000 15.999 > 109 112 O 0.99268560387658 0.85782074928324 0.62500000000000 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.4540076 0.0000000 0.0000000 0.0000000 4.3172142 0.0000000 0.0000000 0.0000000 10.4011498 -------------------------- Born effective charges -------------------------- 1 Nb 2.5296284 0.0312894 0.0000000 -0.0003935 1.1210728 0.0000000 0.0000000 0.0000000 2.3158278 2 Nb 2.5296284 -0.0312894 0.0000000 0.0003935 1.1210728 0.0000000 0.0000000 0.0000000 2.3158278 3 Nb 2.5296284 0.0312894 0.0000000 -0.0003935 1.1210728 0.0000000 0.0000000 0.0000000 2.3158278 4 Nb 2.5296284 -0.0312894 0.0000000 0.0003935 1.1210728 0.0000000 0.0000000 0.0000000 2.3158278 5 Nb 2.1587640 0.0000000 0.0000000 0.0000000 1.1420255 0.0946200 0.0000000 0.1623458 2.3702402 6 Nb 2.1587640 0.0000000 0.0000000 0.0000000 1.1420255 -0.0946200 0.0000000 -0.1623458 2.3702402 7 Nb 2.1587640 0.0000000 0.0000000 0.0000000 1.1420255 0.0946200 0.0000000 0.1623458 2.3702402 8 Nb 2.1587640 0.0000000 0.0000000 0.0000000 1.1420255 -0.0946200 0.0000000 -0.1623458 2.3702402 9 Ca 2.0364388 0.0160195 0.0000000 0.0314914 4.2127207 0.0000000 0.0000000 0.0000000 1.9971356 10 Ca 2.0364388 -0.0160195 0.0000000 -0.0314914 4.2127207 0.0000000 0.0000000 0.0000000 1.9971356 11 Ca 2.0364388 0.0160195 0.0000000 0.0314914 4.2127207 0.0000000 0.0000000 0.0000000 1.9971356 12 Ca 2.0364388 -0.0160195 0.0000000 -0.0314914 4.2127207 0.0000000 0.0000000 0.0000000 1.9971356 13 O -1.5542052 -0.0307298 -0.0810395 -0.0153752 -1.7438912 -0.0440423 -0.1048424 -0.0376397 -1.7445139 14 O -1.5542052 0.0307298 0.0810395 0.0153752 -1.7438912 -0.0440423 0.1048424 -0.0376397 -1.7445139 15 O -1.5542052 -0.0307298 0.0810395 -0.0153752 -1.7438912 0.0440423 0.1048424 0.0376397 -1.7445139 16 O -1.5542052 0.0307298 -0.0810395 0.0153752 -1.7438912 0.0440423 -0.1048424 0.0376397 -1.7445139 17 O -1.5542052 -0.0307298 -0.0810395 -0.0153752 -1.7438912 -0.0440423 -0.1048424 -0.0376397 -1.7445139 18 O -1.5542052 0.0307298 0.0810395 0.0153752 -1.7438912 -0.0440423 0.1048424 -0.0376397 -1.7445139 19 O -1.5542052 -0.0307298 0.0810395 -0.0153752 -1.7438912 0.0440423 0.1048424 0.0376397 -1.7445139 20 O -1.5542052 0.0307298 -0.0810395 0.0153752 -1.7438912 0.0440423 -0.1048424 0.0376397 -1.7445139 21 O -1.8420777 -0.2727064 0.0000000 -0.2742803 -1.5053275 0.0000000 0.0000000 0.0000000 -1.6440458 22 O -1.8420777 0.2727064 0.0000000 0.2742803 -1.5053275 0.0000000 0.0000000 0.0000000 -1.6440458 23 O -1.8420777 -0.2727064 0.0000000 -0.2742803 -1.5053275 0.0000000 0.0000000 0.0000000 -1.6440458 24 O -1.8420777 0.2727064 0.0000000 0.2742803 -1.5053275 0.0000000 0.0000000 0.0000000 -1.6440458 25 O -1.7743431 -0.3611498 0.0000000 -0.2791810 -1.4827091 0.0000000 0.0000000 0.0000000 -1.5501300 26 O -1.7743431 0.3611498 0.0000000 0.2791810 -1.4827091 0.0000000 0.0000000 0.0000000 -1.5501300 27 O -1.7743431 -0.3611498 0.0000000 -0.2791810 -1.4827091 0.0000000 0.0000000 0.0000000 -1.5501300 28 O -1.7743431 0.3611498 0.0000000 0.2791810 -1.4827091 0.0000000 0.0000000 0.0000000 -1.5501300 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xy) 0.00000002 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:22:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:22:12]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.063790969999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.832776660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.851354010000000 Atomic positions (fractional): 1 Nb 0.34101005969484 0.24634734313338 0.25000000000000 92.906 2 Nb 0.34101005969484 0.25365265686662 0.75000000000000 92.906 3 Nb 0.65898994030516 0.75365265686662 0.75000000000000 92.906 4 Nb 0.65898994030516 0.74634734313338 0.25000000000000 92.906 5 Nb 0.84434968740763 0.25000000000000 0.00000000000000 92.906 6 Nb 0.15565031259237 0.75000000000000 0.50000000000000 92.906 7 Nb 0.15565031259237 0.75000000000000 0.00000000000000 92.906 8 Nb 0.84434968740763 0.25000000000000 0.50000000000000 92.906 9 Ca 0.30962400118235 0.99560151569460 0.75000000000000 40.078 10 Ca 0.30962400118235 0.50439848430540 0.25000000000000 40.078 11 Ca 0.69037599881765 0.00439848430540 0.25000000000000 40.078 12 Ca 0.69037599881765 0.49560151569460 0.75000000000000 40.078 13 O 0.50783635462501 0.13676806707685 0.99520371160011 15.999 14 O 0.50783635462501 0.36323193292314 0.00479628839989 15.999 15 O 0.49216364537499 0.86323193292314 0.49520371160011 15.999 16 O 0.49216364537499 0.63676806707686 0.50479628839989 15.999 17 O 0.49216364537499 0.86323193292314 0.00479628839989 15.999 18 O 0.49216364537499 0.63676806707686 0.99520371160011 15.999 19 O 0.50783635462501 0.13676806707685 0.50479628839989 15.999 20 O 0.50783635462501 0.36323193292314 0.49520371160011 15.999 21 O 0.00648650640176 0.13885793400929 0.25000000000000 15.999 22 O 0.00648650640176 0.36114206599071 0.75000000000000 15.999 23 O 0.99351349359824 0.86114206599071 0.75000000000000 15.999 24 O 0.99351349359824 0.63885793400929 0.25000000000000 15.999 25 O 0.01462879224684 0.35782074928324 0.25000000000000 15.999 26 O 0.01462879224684 0.14217925071676 0.75000000000000 15.999 27 O 0.98537120775316 0.64217925071676 0.75000000000000 15.999 28 O 0.98537120775316 0.85782074928324 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.127581939999997 0.000000000000000 0.000000000000000 b 0.000000000000000 11.832776660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.702708019999999 Atomic positions (fractional): 1 Nb 0.17050502984742 0.24634734313338 0.12500000000000 92.906 > 1 2 Nb 0.67050502984742 0.24634734313338 0.12500000000000 92.906 > 1 3 Nb 0.17050502984742 0.24634734313338 0.62500000000000 92.906 > 1 4 Nb 0.67050502984742 0.24634734313338 0.62500000000000 92.906 > 1 5 Nb 0.17050502984742 0.25365265686662 0.37500000000000 92.906 > 5 6 Nb 0.67050502984742 0.25365265686662 0.37500000000000 92.906 > 5 7 Nb 0.17050502984742 0.25365265686662 0.87500000000000 92.906 > 5 8 Nb 0.67050502984742 0.25365265686662 0.87500000000000 92.906 > 5 9 Nb 0.32949497015258 0.75365265686662 0.37500000000000 92.906 > 9 10 Nb 0.82949497015258 0.75365265686662 0.37500000000000 92.906 > 9 11 Nb 0.32949497015258 0.75365265686662 0.87500000000000 92.906 > 9 12 Nb 0.82949497015258 0.75365265686662 0.87500000000000 92.906 > 9 13 Nb 0.32949497015258 0.74634734313338 0.12500000000000 92.906 > 13 14 Nb 0.82949497015258 0.74634734313338 0.12500000000000 92.906 > 13 15 Nb 0.32949497015258 0.74634734313338 0.62500000000000 92.906 > 13 16 Nb 0.82949497015258 0.74634734313338 0.62500000000000 92.906 > 13 17 Nb 0.42217484370382 0.25000000000000 0.00000000000000 92.906 > 17 18 Nb 0.92217484370382 0.25000000000000 0.00000000000000 92.906 > 17 19 Nb 0.42217484370382 0.25000000000000 0.50000000000000 92.906 > 17 20 Nb 0.92217484370382 0.25000000000000 0.50000000000000 92.906 > 17 21 Nb 0.07782515629618 0.75000000000000 0.25000000000000 92.906 > 21 22 Nb 0.57782515629618 0.75000000000000 0.25000000000000 92.906 > 21 23 Nb 0.07782515629618 0.75000000000000 0.75000000000000 92.906 > 21 24 Nb 0.57782515629618 0.75000000000000 0.75000000000000 92.906 > 21 25 Nb 0.07782515629618 0.75000000000000 0.00000000000000 92.906 > 25 26 Nb 0.57782515629618 0.75000000000000 0.00000000000000 92.906 > 25 27 Nb 0.07782515629618 0.75000000000000 0.50000000000000 92.906 > 25 28 Nb 0.57782515629618 0.75000000000000 0.50000000000000 92.906 > 25 29 Nb 0.42217484370382 0.25000000000000 0.25000000000000 92.906 > 29 30 Nb 0.92217484370382 0.25000000000000 0.25000000000000 92.906 > 29 31 Nb 0.42217484370382 0.25000000000000 0.75000000000000 92.906 > 29 32 Nb 0.92217484370382 0.25000000000000 0.75000000000000 92.906 > 29 33 Ca 0.15481200059118 0.99560151569460 0.37500000000000 40.078 > 33 34 Ca 0.65481200059118 0.99560151569460 0.37500000000000 40.078 > 33 35 Ca 0.15481200059118 0.99560151569460 0.87500000000000 40.078 > 33 36 Ca 0.65481200059118 0.99560151569460 0.87500000000000 40.078 > 33 37 Ca 0.15481200059118 0.50439848430540 0.12500000000000 40.078 > 37 38 Ca 0.65481200059118 0.50439848430540 0.12500000000000 40.078 > 37 39 Ca 0.15481200059118 0.50439848430540 0.62500000000000 40.078 > 37 40 Ca 0.65481200059118 0.50439848430540 0.62500000000000 40.078 > 37 41 Ca 0.34518799940882 0.00439848430540 0.12500000000000 40.078 > 41 42 Ca 0.84518799940882 0.00439848430540 0.12500000000000 40.078 > 41 43 Ca 0.34518799940882 0.00439848430540 0.62500000000000 40.078 > 41 44 Ca 0.84518799940882 0.00439848430540 0.62500000000000 40.078 > 41 45 Ca 0.34518799940882 0.49560151569460 0.37500000000000 40.078 > 45 46 Ca 0.84518799940882 0.49560151569460 0.37500000000000 40.078 > 45 47 Ca 0.34518799940882 0.49560151569460 0.87500000000000 40.078 > 45 48 Ca 0.84518799940882 0.49560151569460 0.87500000000000 40.078 > 45 49 O 0.25391817731250 0.13676806707685 0.49760185580005 15.999 > 49 50 O 0.75391817731250 0.13676806707685 0.49760185580005 15.999 > 49 51 O 0.25391817731250 0.13676806707685 0.99760185580005 15.999 > 49 52 O 0.75391817731250 0.13676806707685 0.99760185580005 15.999 > 49 53 O 0.25391817731250 0.36323193292314 0.00239814419995 15.999 > 53 54 O 0.75391817731250 0.36323193292314 0.00239814419995 15.999 > 53 55 O 0.25391817731250 0.36323193292314 0.50239814419995 15.999 > 53 56 O 0.75391817731250 0.36323193292314 0.50239814419995 15.999 > 53 57 O 0.24608182268750 0.86323193292314 0.24760185580005 15.999 > 57 58 O 0.74608182268750 0.86323193292314 0.24760185580005 15.999 > 57 59 O 0.24608182268750 0.86323193292314 0.74760185580005 15.999 > 57 60 O 0.74608182268750 0.86323193292314 0.74760185580005 15.999 > 57 61 O 0.24608182268750 0.63676806707686 0.25239814419995 15.999 > 61 62 O 0.74608182268750 0.63676806707686 0.25239814419995 15.999 > 61 63 O 0.24608182268750 0.63676806707686 0.75239814419995 15.999 > 61 64 O 0.74608182268750 0.63676806707686 0.75239814419995 15.999 > 61 65 O 0.24608182268750 0.86323193292314 0.00239814419995 15.999 > 65 66 O 0.74608182268750 0.86323193292314 0.00239814419995 15.999 > 65 67 O 0.24608182268750 0.86323193292314 0.50239814419995 15.999 > 65 68 O 0.74608182268750 0.86323193292314 0.50239814419995 15.999 > 65 69 O 0.24608182268750 0.63676806707686 0.49760185580005 15.999 > 69 70 O 0.74608182268750 0.63676806707686 0.49760185580005 15.999 > 69 71 O 0.24608182268750 0.63676806707686 0.99760185580005 15.999 > 69 72 O 0.74608182268750 0.63676806707686 0.99760185580005 15.999 > 69 73 O 0.25391817731250 0.13676806707685 0.25239814419995 15.999 > 73 74 O 0.75391817731250 0.13676806707685 0.25239814419995 15.999 > 73 75 O 0.25391817731250 0.13676806707685 0.75239814419995 15.999 > 73 76 O 0.75391817731250 0.13676806707685 0.75239814419995 15.999 > 73 77 O 0.25391817731250 0.36323193292314 0.24760185580005 15.999 > 77 78 O 0.75391817731250 0.36323193292314 0.24760185580005 15.999 > 77 79 O 0.25391817731250 0.36323193292314 0.74760185580005 15.999 > 77 80 O 0.75391817731250 0.36323193292314 0.74760185580005 15.999 > 77 81 O 0.00324325320088 0.13885793400929 0.12500000000000 15.999 > 81 82 O 0.50324325320088 0.13885793400929 0.12500000000000 15.999 > 81 83 O 0.00324325320088 0.13885793400929 0.62500000000000 15.999 > 81 84 O 0.50324325320088 0.13885793400929 0.62500000000000 15.999 > 81 85 O 0.00324325320088 0.36114206599071 0.37500000000000 15.999 > 85 86 O 0.50324325320088 0.36114206599071 0.37500000000000 15.999 > 85 87 O 0.00324325320088 0.36114206599071 0.87500000000000 15.999 > 85 88 O 0.50324325320088 0.36114206599071 0.87500000000000 15.999 > 85 89 O 0.49675674679912 0.86114206599071 0.37500000000000 15.999 > 89 90 O 0.99675674679912 0.86114206599071 0.37500000000000 15.999 > 89 91 O 0.49675674679912 0.86114206599071 0.87500000000000 15.999 > 89 92 O 0.99675674679912 0.86114206599071 0.87500000000000 15.999 > 89 93 O 0.49675674679912 0.63885793400929 0.12500000000000 15.999 > 93 94 O 0.99675674679912 0.63885793400929 0.12500000000000 15.999 > 93 95 O 0.49675674679912 0.63885793400929 0.62500000000000 15.999 > 93 96 O 0.99675674679912 0.63885793400929 0.62500000000000 15.999 > 93 97 O 0.00731439612342 0.35782074928324 0.12500000000000 15.999 > 97 98 O 0.50731439612342 0.35782074928324 0.12500000000000 15.999 > 97 99 O 0.00731439612342 0.35782074928324 0.62500000000000 15.999 > 97 100 O 0.50731439612342 0.35782074928324 0.62500000000000 15.999 > 97 101 O 0.00731439612342 0.14217925071676 0.37500000000000 15.999 > 101 102 O 0.50731439612342 0.14217925071676 0.37500000000000 15.999 > 101 103 O 0.00731439612342 0.14217925071676 0.87500000000000 15.999 > 101 104 O 0.50731439612342 0.14217925071676 0.87500000000000 15.999 > 101 105 O 0.49268560387658 0.64217925071676 0.37500000000000 15.999 > 105 106 O 0.99268560387658 0.64217925071676 0.37500000000000 15.999 > 105 107 O 0.49268560387658 0.64217925071676 0.87500000000000 15.999 > 105 108 O 0.99268560387658 0.64217925071676 0.87500000000000 15.999 > 105 109 O 0.49268560387658 0.85782074928324 0.12500000000000 15.999 > 109 110 O 0.99268560387658 0.85782074928324 0.12500000000000 15.999 > 109 111 O 0.49268560387658 0.85782074928324 0.62500000000000 15.999 > 109 112 O 0.99268560387658 0.85782074928324 0.62500000000000 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.4540076 0.0000000 0.0000000 0.0000000 4.3172142 0.0000000 0.0000000 0.0000000 10.4011498 -------------------------- Born effective charges -------------------------- 1 Nb 2.5296284 0.0312894 0.0000000 -0.0003935 1.1210728 0.0000000 0.0000000 0.0000000 2.3158278 2 Nb 2.5296284 -0.0312894 0.0000000 0.0003935 1.1210728 0.0000000 0.0000000 0.0000000 2.3158278 3 Nb 2.5296284 0.0312894 0.0000000 -0.0003935 1.1210728 0.0000000 0.0000000 0.0000000 2.3158278 4 Nb 2.5296284 -0.0312894 0.0000000 0.0003935 1.1210728 0.0000000 0.0000000 0.0000000 2.3158278 5 Nb 2.1587640 0.0000000 0.0000000 0.0000000 1.1420255 0.0946200 0.0000000 0.1623458 2.3702402 6 Nb 2.1587640 0.0000000 0.0000000 0.0000000 1.1420255 -0.0946200 0.0000000 -0.1623458 2.3702402 7 Nb 2.1587640 0.0000000 0.0000000 0.0000000 1.1420255 0.0946200 0.0000000 0.1623458 2.3702402 8 Nb 2.1587640 0.0000000 0.0000000 0.0000000 1.1420255 -0.0946200 0.0000000 -0.1623458 2.3702402 9 Ca 2.0364388 0.0160195 0.0000000 0.0314914 4.2127207 0.0000000 0.0000000 0.0000000 1.9971356 10 Ca 2.0364388 -0.0160195 0.0000000 -0.0314914 4.2127207 0.0000000 0.0000000 0.0000000 1.9971356 11 Ca 2.0364388 0.0160195 0.0000000 0.0314914 4.2127207 0.0000000 0.0000000 0.0000000 1.9971356 12 Ca 2.0364388 -0.0160195 0.0000000 -0.0314914 4.2127207 0.0000000 0.0000000 0.0000000 1.9971356 13 O -1.5542052 -0.0307298 -0.0810395 -0.0153752 -1.7438912 -0.0440423 -0.1048424 -0.0376397 -1.7445139 14 O -1.5542052 0.0307298 0.0810395 0.0153752 -1.7438912 -0.0440423 0.1048424 -0.0376397 -1.7445139 15 O -1.5542052 -0.0307298 0.0810395 -0.0153752 -1.7438912 0.0440423 0.1048424 0.0376397 -1.7445139 16 O -1.5542052 0.0307298 -0.0810395 0.0153752 -1.7438912 0.0440423 -0.1048424 0.0376397 -1.7445139 17 O -1.5542052 -0.0307298 -0.0810395 -0.0153752 -1.7438912 -0.0440423 -0.1048424 -0.0376397 -1.7445139 18 O -1.5542052 0.0307298 0.0810395 0.0153752 -1.7438912 -0.0440423 0.1048424 -0.0376397 -1.7445139 19 O -1.5542052 -0.0307298 0.0810395 -0.0153752 -1.7438912 0.0440423 0.1048424 0.0376397 -1.7445139 20 O -1.5542052 0.0307298 -0.0810395 0.0153752 -1.7438912 0.0440423 -0.1048424 0.0376397 -1.7445139 21 O -1.8420777 -0.2727064 0.0000000 -0.2742803 -1.5053275 0.0000000 0.0000000 0.0000000 -1.6440458 22 O -1.8420777 0.2727064 0.0000000 0.2742803 -1.5053275 0.0000000 0.0000000 0.0000000 -1.6440458 23 O -1.8420777 -0.2727064 0.0000000 -0.2742803 -1.5053275 0.0000000 0.0000000 0.0000000 -1.6440458 24 O -1.8420777 0.2727064 0.0000000 0.2742803 -1.5053275 0.0000000 0.0000000 0.0000000 -1.6440458 25 O -1.7743431 -0.3611498 0.0000000 -0.2791810 -1.4827091 0.0000000 0.0000000 0.0000000 -1.5501300 26 O -1.7743431 0.3611498 0.0000000 0.2791810 -1.4827091 0.0000000 0.0000000 0.0000000 -1.5501300 27 O -1.7743431 -0.3611498 0.0000000 -0.2791810 -1.4827091 0.0000000 0.0000000 0.0000000 -1.5501300 28 O -1.7743431 0.3611498 0.0000000 0.2791810 -1.4827091 0.0000000 0.0000000 0.0000000 -1.5501300 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) 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 ... [ 10 4 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 303, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 5.611 ( 0.000 0.000 0.000) 0.000 5.910 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.487 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 0.000) 0.000 6.732 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.686 ( 0.000 0.000 0.000) 0.000 7.861 ( 0.000 0.000 0.000) 0.000 8.115 ( 0.000 0.000 0.000) 0.000 8.135 ( 0.000 0.000 0.000) 0.000 8.192 ( 0.000 0.000 0.000) 0.000 8.426 ( 0.000 0.000 0.000) 0.000 8.685 ( 0.000 0.000 0.000) 0.000 9.342 ( 0.000 0.000 0.000) 0.000 9.803 ( 0.000 0.000 0.000) 0.000 9.891 ( 0.000 0.000 0.000) 0.000 9.984 ( 0.000 0.000 0.000) 0.000 10.273 ( 0.000 0.000 0.000) 0.000 10.379 ( 0.000 0.000 0.000) 0.000 10.799 ( 0.000 0.000 0.000) 0.000 10.817 ( 0.000 0.000 0.000) 0.000 12.373 ( 0.000 0.000 0.000) 0.000 12.442 ( 0.000 0.000 0.000) 0.000 12.482 ( 0.000 0.000 0.000) 0.000 12.627 ( 0.000 0.000 0.000) 0.000 12.668 ( 0.000 0.000 0.000) 0.000 12.742 ( 0.000 0.000 0.000) 0.000 12.870 ( 0.000 0.000 0.000) 0.000 12.987 ( 0.000 0.000 0.000) 0.000 13.449 ( 0.000 0.000 0.000) 0.000 13.450 ( 0.000 0.000 0.000) 0.000 13.474 ( 0.000 0.000 0.000) 0.000 13.517 ( 0.000 0.000 0.000) 0.000 13.573 ( 0.000 0.000 0.000) 0.000 13.682 ( 0.000 0.000 0.000) 0.000 13.790 ( 0.000 0.000 0.000) 0.000 13.814 ( 0.000 0.000 0.000) 0.000 13.831 ( 0.000 0.000 0.000) 0.000 13.858 ( 0.000 0.000 0.000) 0.000 13.953 ( 0.000 0.000 0.000) 0.000 13.997 ( 0.000 0.000 0.000) 0.000 14.058 ( 0.000 0.000 0.000) 0.000 14.110 ( 0.000 0.000 0.000) 0.000 14.167 ( 0.000 0.000 0.000) 0.000 14.169 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.465 ( 0.000 0.000 0.000) 0.000 14.515 ( 0.000 0.000 0.000) 0.000 14.667 ( 0.000 0.000 0.000) 0.000 14.712 ( 0.000 0.000 0.000) 0.000 14.714 ( 0.000 0.000 0.000) 0.000 14.781 ( 0.000 0.000 0.000) 0.000 14.802 ( 0.000 0.000 0.000) 0.000 14.950 ( 0.000 0.000 0.000) 0.000 15.087 ( 0.000 0.000 0.000) 0.000 15.097 ( 0.000 0.000 0.000) 0.000 15.614 ( 0.000 0.000 0.000) 0.000 15.703 ( 0.000 0.000 0.000) 0.000 15.741 ( 0.000 0.000 0.000) 0.000 15.975 ( 0.000 0.000 0.000) 0.000 16.227 ( 0.000 0.000 0.000) 0.000 16.571 ( 0.000 0.000 0.000) 0.000 16.703 ( 0.000 0.000 0.000) 0.000 16.801 ( 0.000 0.000 0.000) 0.000 17.652 ( 0.000 0.000 0.000) 0.000 18.953 ( 0.000 0.000 0.000) 0.000 19.236 ( 0.000 0.000 0.000) 0.000 19.699 ( 0.000 0.000 0.000) 0.000 20.845 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 30.667 0.000 0.000) 30.667 0.956 ( 47.955 0.000 0.000) 47.955 1.621 ( 81.056 0.000 0.000) 81.056 1.775 ( 29.036 0.000 0.000) 29.036 2.547 ( 51.466 0.000 0.000) 51.466 4.130 ( -12.042 0.000 0.000) 12.042 4.243 ( 3.140 0.000 0.000) 3.140 4.498 ( 1.704 0.000 0.000) 1.704 5.185 ( 13.541 0.000 0.000) 13.541 5.779 ( 3.017 0.000 0.000) 3.017 5.941 ( 2.966 0.000 0.000) 2.966 6.037 ( -9.673 0.000 0.000) 9.673 6.149 ( 1.258 0.000 0.000) 1.258 6.543 ( 5.855 0.000 0.000) 5.855 6.587 ( -2.239 0.000 0.000) 2.239 6.766 ( 3.003 0.000 0.000) 3.003 7.104 ( -21.950 0.000 0.000) 21.950 7.121 ( -9.535 0.000 0.000) 9.535 7.200 ( -8.922 0.000 0.000) 8.922 7.445 ( -6.539 0.000 0.000) 6.539 7.474 ( 2.230 0.000 0.000) 2.230 7.676 ( -1.063 0.000 0.000) 1.063 7.868 ( 1.654 0.000 0.000) 1.654 7.991 ( -11.679 0.000 0.000) 11.679 8.015 ( -11.386 0.000 0.000) 11.386 8.105 ( -8.080 0.000 0.000) 8.080 8.357 ( -6.625 0.000 0.000) 6.625 8.650 ( -3.846 0.000 0.000) 3.846 9.284 ( -5.707 0.000 0.000) 5.707 9.720 ( -22.368 0.000 0.000) 22.368 9.893 ( 8.398 0.000 0.000) 8.398 9.986 ( 8.895 0.000 0.000) 8.895 10.346 ( 6.953 0.000 0.000) 6.953 10.446 ( 6.375 0.000 0.000) 6.375 10.662 ( -13.199 0.000 0.000) 13.199 10.685 ( -13.426 0.000 0.000) 13.426 12.373 ( -0.003 0.000 0.000) 0.003 12.439 ( -0.285 0.000 0.000) 0.285 12.544 ( 6.078 0.000 0.000) 6.078 12.647 ( -2.139 0.000 0.000) 2.139 12.722 ( -2.145 0.000 0.000) 2.145 12.733 ( 9.619 0.000 0.000) 9.619 12.859 ( -1.102 0.000 0.000) 1.102 12.972 ( -1.470 0.000 0.000) 1.470 13.460 ( 0.862 0.000 0.000) 0.862 13.463 ( 0.035 0.000 0.000) 0.035 13.475 ( 0.181 0.000 0.000) 0.181 13.538 ( -3.168 0.000 0.000) 3.168 13.621 ( -3.770 0.000 0.000) 3.770 13.674 ( -2.188 0.000 0.000) 2.188 13.835 ( -10.787 0.000 0.000) 10.787 13.845 ( 5.326 0.000 0.000) 5.326 13.911 ( 7.342 0.000 0.000) 7.342 13.911 ( 7.364 0.000 0.000) 7.364 13.973 ( -8.034 0.000 0.000) 8.034 14.029 ( 6.833 0.000 0.000) 6.833 14.120 ( -4.090 0.000 0.000) 4.090 14.128 ( 2.742 0.000 0.000) 2.742 14.147 ( 0.549 0.000 0.000) 0.549 14.258 ( 7.395 0.000 0.000) 7.395 14.426 ( 12.349 0.000 0.000) 12.349 14.457 ( -0.642 0.000 0.000) 0.642 14.515 ( -0.677 0.000 0.000) 0.677 14.605 ( -2.879 0.000 0.000) 2.879 14.710 ( 0.869 0.000 0.000) 0.869 14.826 ( 7.370 0.000 0.000) 7.370 14.874 ( 6.462 0.000 0.000) 6.462 14.905 ( -4.175 0.000 0.000) 4.175 15.121 ( 4.132 0.000 0.000) 4.132 15.129 ( 3.182 0.000 0.000) 3.182 15.449 ( 1.733 0.000 0.000) 1.733 15.610 ( 1.262 0.000 0.000) 1.262 15.769 ( 2.771 0.000 0.000) 2.771 15.850 ( 13.485 0.000 0.000) 13.485 16.009 ( 2.961 0.000 0.000) 2.961 16.174 ( -8.006 0.000 0.000) 8.006 16.571 ( -1.294 0.000 0.000) 1.294 16.846 ( 4.362 0.000 0.000) 4.362 17.076 ( 7.590 0.000 0.000) 7.590 17.671 ( 1.858 0.000 0.000) 1.858 18.868 ( -8.537 0.000 0.000) 8.537 19.119 ( -14.593 0.000 0.000) 14.593 19.368 ( -26.869 0.000 0.000) 26.869 20.614 ( -21.181 0.000 0.000) 21.181 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 39.882 0.000 0.000) 39.882 1.883 ( 45.588 0.000 0.000) 45.588 2.480 ( 40.052 0.000 0.000) 40.052 3.179 ( 76.010 0.000 0.000) 76.010 3.734 ( 64.754 0.000 0.000) 64.754 3.885 ( -10.932 0.000 0.000) 10.932 4.330 ( 5.355 0.000 0.000) 5.355 4.545 ( 2.955 0.000 0.000) 2.955 5.510 ( 17.520 0.000 0.000) 17.520 5.744 ( -19.797 0.000 0.000) 19.797 5.870 ( 6.090 0.000 0.000) 6.090 6.014 ( 3.797 0.000 0.000) 3.797 6.166 ( 0.628 0.000 0.000) 0.628 6.525 ( -3.937 0.000 0.000) 3.937 6.572 ( -30.539 0.000 0.000) 30.539 6.713 ( 10.775 0.000 0.000) 10.775 6.766 ( -9.025 0.000 0.000) 9.025 6.854 ( -16.877 0.000 0.000) 16.877 7.027 ( -2.624 0.000 0.000) 2.624 7.225 ( -13.753 0.000 0.000) 13.753 7.522 ( 2.199 0.000 0.000) 2.199 7.644 ( -2.164 0.000 0.000) 2.164 7.704 ( -16.168 0.000 0.000) 16.168 7.731 ( -16.126 0.000 0.000) 16.126 7.842 ( -9.747 0.000 0.000) 9.747 7.998 ( 3.093 0.000 0.000) 3.093 8.188 ( -9.816 0.000 0.000) 9.816 8.525 ( -8.264 0.000 0.000) 8.264 9.132 ( -9.240 0.000 0.000) 9.240 9.306 ( -16.529 0.000 0.000) 16.529 10.099 ( 11.541 0.000 0.000) 11.541 10.201 ( 11.919 0.000 0.000) 11.919 10.290 ( -26.388 0.000 0.000) 26.388 10.306 ( -22.167 0.000 0.000) 22.167 10.522 ( 10.113 0.000 0.000) 10.113 10.608 ( 9.366 0.000 0.000) 9.366 12.373 ( 0.054 0.000 0.000) 0.054 12.431 ( -0.463 0.000 0.000) 0.463 12.580 ( -4.678 0.000 0.000) 4.678 12.653 ( -4.912 0.000 0.000) 4.912 12.704 ( 9.571 0.000 0.000) 9.571 12.827 ( -2.035 0.000 0.000) 2.035 12.932 ( -2.529 0.000 0.000) 2.529 12.952 ( 11.360 0.000 0.000) 11.360 13.433 ( -2.780 0.000 0.000) 2.780 13.467 ( -3.591 0.000 0.000) 3.591 13.471 ( 0.105 0.000 0.000) 0.105 13.491 ( 1.397 0.000 0.000) 1.397 13.560 ( -2.409 0.000 0.000) 2.409 13.599 ( -5.033 0.000 0.000) 5.033 13.643 ( -7.749 0.000 0.000) 7.749 13.830 ( -6.162 0.000 0.000) 6.162 13.915 ( 0.023 0.000 0.000) 0.023 14.050 ( 5.321 0.000 0.000) 5.321 14.059 ( -0.831 0.000 0.000) 0.831 14.080 ( 9.124 0.000 0.000) 9.124 14.164 ( 1.102 0.000 0.000) 1.102 14.173 ( 2.029 0.000 0.000) 2.029 14.186 ( 8.316 0.000 0.000) 8.316 14.348 ( -0.514 0.000 0.000) 0.514 14.467 ( -4.140 0.000 0.000) 4.140 14.478 ( 2.883 0.000 0.000) 2.883 14.586 ( 1.024 0.000 0.000) 1.024 14.656 ( 10.600 0.000 0.000) 10.600 14.747 ( 3.958 0.000 0.000) 3.958 14.802 ( -5.950 0.000 0.000) 5.950 14.999 ( 9.878 0.000 0.000) 9.878 15.022 ( 7.813 0.000 0.000) 7.813 15.215 ( 5.249 0.000 0.000) 5.249 15.231 ( 5.923 0.000 0.000) 5.923 15.473 ( 0.168 0.000 0.000) 0.168 15.687 ( 6.857 0.000 0.000) 6.857 15.843 ( 4.525 0.000 0.000) 4.525 15.978 ( -8.835 0.000 0.000) 8.835 16.098 ( 3.183 0.000 0.000) 3.183 16.225 ( 24.017 0.000 0.000) 24.017 16.506 ( -4.802 0.000 0.000) 4.802 16.964 ( 7.198 0.000 0.000) 7.198 17.272 ( 11.450 0.000 0.000) 11.450 17.725 ( 3.631 0.000 0.000) 3.631 18.506 ( -38.172 0.000 0.000) 38.172 18.625 ( -15.673 0.000 0.000) 15.673 19.013 ( -13.142 0.000 0.000) 13.142 20.114 ( -27.333 0.000 0.000) 27.333 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 46.790 0.000 0.000) 46.790 2.739 ( 40.397 0.000 0.000) 40.397 3.300 ( 42.132 0.000 0.000) 42.132 3.745 ( -2.610 0.000 0.000) 2.610 4.443 ( 5.784 0.000 0.000) 5.784 4.577 ( 63.457 0.000 0.000) 63.457 4.610 ( 3.401 0.000 0.000) 3.401 5.006 ( 62.230 0.000 0.000) 62.230 5.274 ( -26.455 0.000 0.000) 26.455 5.657 ( -19.091 0.000 0.000) 19.091 6.000 ( 5.840 0.000 0.000) 5.840 6.037 ( -4.841 0.000 0.000) 4.841 6.102 ( -1.364 0.000 0.000) 1.364 6.217 ( 7.559 0.000 0.000) 7.559 6.420 ( -20.954 0.000 0.000) 20.954 6.440 ( -4.434 0.000 0.000) 4.434 6.482 ( -18.074 0.000 0.000) 18.074 6.941 ( 11.720 0.000 0.000) 11.720 6.963 ( -11.837 0.000 0.000) 11.837 7.117 ( 7.813 0.000 0.000) 7.813 7.393 ( -14.430 0.000 0.000) 14.430 7.420 ( -14.493 0.000 0.000) 14.493 7.549 ( 0.592 0.000 0.000) 0.592 7.592 ( -3.102 0.000 0.000) 3.102 7.613 ( -11.215 0.000 0.000) 11.215 7.980 ( -9.548 0.000 0.000) 9.548 8.128 ( 7.061 0.000 0.000) 7.061 8.380 ( -5.494 0.000 0.000) 5.494 8.936 ( -10.092 0.000 0.000) 10.092 9.037 ( -13.976 0.000 0.000) 13.976 9.652 ( -37.883 0.000 0.000) 37.883 9.839 ( -22.698 0.000 0.000) 22.698 10.320 ( 10.304 0.000 0.000) 10.304 10.428 ( 10.434 0.000 0.000) 10.434 10.718 ( 9.159 0.000 0.000) 9.159 10.791 ( 8.622 0.000 0.000) 8.622 12.375 ( 0.147 0.000 0.000) 0.147 12.422 ( -0.487 0.000 0.000) 0.487 12.471 ( -5.935 0.000 0.000) 5.935 12.537 ( -6.383 0.000 0.000) 6.383 12.782 ( -2.412 0.000 0.000) 2.412 12.878 ( -2.770 0.000 0.000) 2.770 12.898 ( 9.468 0.000 0.000) 9.468 13.150 ( 8.306 0.000 0.000) 8.306 13.370 ( -3.182 0.000 0.000) 3.182 13.405 ( -2.578 0.000 0.000) 2.578 13.458 ( -1.725 0.000 0.000) 1.725 13.487 ( -5.889 0.000 0.000) 5.889 13.513 ( 0.583 0.000 0.000) 0.583 13.522 ( -1.462 0.000 0.000) 1.462 13.556 ( -0.748 0.000 0.000) 0.748 13.735 ( -3.426 0.000 0.000) 3.426 13.886 ( -1.337 0.000 0.000) 1.337 14.056 ( -0.694 0.000 0.000) 0.694 14.106 ( 0.936 0.000 0.000) 0.936 14.187 ( 1.131 0.000 0.000) 1.131 14.210 ( 1.633 0.000 0.000) 1.633 14.255 ( 8.178 0.000 0.000) 8.178 14.300 ( -3.011 0.000 0.000) 3.011 14.337 ( 6.565 0.000 0.000) 6.565 14.375 ( -4.349 0.000 0.000) 4.349 14.486 ( -1.669 0.000 0.000) 1.669 14.601 ( -0.589 0.000 0.000) 0.589 14.675 ( -6.791 0.000 0.000) 6.791 14.837 ( 7.557 0.000 0.000) 7.557 14.896 ( 9.550 0.000 0.000) 9.550 15.163 ( 6.192 0.000 0.000) 6.192 15.189 ( 8.648 0.000 0.000) 8.648 15.300 ( -0.077 0.000 0.000) 0.077 15.324 ( 5.404 0.000 0.000) 5.404 15.444 ( -3.306 0.000 0.000) 3.306 15.816 ( -5.871 0.000 0.000) 5.871 15.896 ( 14.369 0.000 0.000) 14.369 15.936 ( 4.584 0.000 0.000) 4.584 16.165 ( 3.115 0.000 0.000) 3.115 16.407 ( -4.680 0.000 0.000) 4.680 16.753 ( 27.607 0.000 0.000) 27.607 17.112 ( 7.337 0.000 0.000) 7.337 17.501 ( 10.759 0.000 0.000) 10.759 17.821 ( 6.439 0.000 0.000) 6.439 17.849 ( -25.844 0.000 0.000) 25.844 18.268 ( -19.743 0.000 0.000) 19.743 18.759 ( -12.400 0.000 0.000) 12.400 19.577 ( -26.829 0.000 0.000) 26.829 ======================= Grid point 4 (5/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 48.937 0.000 0.000) 48.937 3.434 ( 28.056 0.000 0.000) 28.056 3.783 ( 5.744 0.000 0.000) 5.744 4.114 ( 39.312 0.000 0.000) 39.312 4.542 ( 3.858 0.000 0.000) 3.858 4.674 ( 3.005 0.000 0.000) 3.005 4.753 ( -25.630 0.000 0.000) 25.630 4.961 ( -40.330 0.000 0.000) 40.330 5.528 ( 29.120 0.000 0.000) 29.120 5.676 ( -28.112 0.000 0.000) 28.112 5.928 ( 9.773 0.000 0.000) 9.773 5.996 ( -20.003 0.000 0.000) 20.003 6.249 ( 38.941 0.000 0.000) 38.941 6.303 ( 11.384 0.000 0.000) 11.384 6.326 ( -0.625 0.000 0.000) 0.625 6.362 ( -3.073 0.000 0.000) 3.073 6.622 ( 33.258 0.000 0.000) 33.258 6.774 ( -7.233 0.000 0.000) 7.233 7.162 ( -8.404 0.000 0.000) 8.404 7.179 ( 14.526 0.000 0.000) 14.526 7.188 ( -8.403 0.000 0.000) 8.403 7.277 ( 7.904 0.000 0.000) 7.904 7.434 ( -6.487 0.000 0.000) 6.487 7.520 ( -4.309 0.000 0.000) 4.309 7.567 ( 2.364 0.000 0.000) 2.364 7.812 ( -6.693 0.000 0.000) 6.693 8.244 ( -13.634 0.000 0.000) 13.634 8.272 ( 6.914 0.000 0.000) 6.914 8.657 ( -24.295 0.000 0.000) 24.295 8.749 ( -8.371 0.000 0.000) 8.371 8.831 ( -40.716 0.000 0.000) 40.716 9.523 ( -8.504 0.000 0.000) 8.504 10.486 ( 6.056 0.000 0.000) 6.056 10.594 ( 6.058 0.000 0.000) 6.058 10.865 ( 5.335 0.000 0.000) 5.335 10.930 ( 5.080 0.000 0.000) 5.080 12.366 ( -4.118 0.000 0.000) 4.118 12.379 ( 0.177 0.000 0.000) 0.177 12.413 ( -0.347 0.000 0.000) 0.347 12.423 ( -4.496 0.000 0.000) 4.496 12.739 ( -1.718 0.000 0.000) 1.718 12.830 ( -1.871 0.000 0.000) 1.871 13.056 ( 5.986 0.000 0.000) 5.986 13.274 ( 4.143 0.000 0.000) 4.143 13.322 ( -1.463 0.000 0.000) 1.463 13.367 ( -1.299 0.000 0.000) 1.299 13.383 ( -4.230 0.000 0.000) 4.230 13.422 ( -1.360 0.000 0.000) 1.360 13.501 ( -0.684 0.000 0.000) 0.684 13.527 ( 0.842 0.000 0.000) 0.842 13.564 ( 0.561 0.000 0.000) 0.561 13.689 ( -1.367 0.000 0.000) 1.367 13.881 ( 0.762 0.000 0.000) 0.762 14.021 ( -2.553 0.000 0.000) 2.553 14.111 ( 0.025 0.000 0.000) 0.025 14.206 ( 0.708 0.000 0.000) 0.708 14.236 ( 0.947 0.000 0.000) 0.947 14.249 ( -2.008 0.000 0.000) 2.008 14.318 ( -1.291 0.000 0.000) 1.291 14.389 ( 5.129 0.000 0.000) 5.129 14.434 ( 3.129 0.000 0.000) 3.129 14.441 ( -2.298 0.000 0.000) 2.298 14.546 ( -5.814 0.000 0.000) 5.814 14.576 ( -1.377 0.000 0.000) 1.377 14.951 ( 3.909 0.000 0.000) 3.909 15.052 ( 5.415 0.000 0.000) 5.415 15.239 ( -4.630 0.000 0.000) 4.630 15.258 ( 3.330 0.000 0.000) 3.330 15.325 ( 4.850 0.000 0.000) 4.850 15.349 ( -4.893 0.000 0.000) 4.893 15.414 ( 3.427 0.000 0.000) 3.427 15.770 ( 0.169 0.000 0.000) 0.169 16.013 ( 2.865 0.000 0.000) 2.865 16.219 ( 2.420 0.000 0.000) 2.420 16.223 ( 16.840 0.000 0.000) 16.840 16.332 ( -2.928 0.000 0.000) 2.928 17.213 ( 14.106 0.000 0.000) 14.106 17.240 ( 7.454 0.000 0.000) 7.454 17.441 ( -11.321 0.000 0.000) 11.321 17.742 ( 8.390 0.000 0.000) 8.390 17.854 ( -16.094 0.000 0.000) 16.094 18.048 ( 13.218 0.000 0.000) 13.218 18.539 ( -9.334 0.000 0.000) 9.334 19.055 ( -25.871 0.000 0.000) 25.871 ======================= Grid point 5 (6/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( 0.000 0.000 0.000) 0.000 3.877 ( -0.000 0.000 0.000) 0.000 3.971 ( -0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.528 ( -0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.688 ( -0.000 0.000 0.000) 0.000 4.705 ( -0.000 0.000 0.000) 0.000 5.212 ( -0.000 0.000 0.000) 0.000 5.764 ( 0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 5.931 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 6.330 ( 0.000 0.000 0.000) 0.000 6.432 ( 0.000 0.000 0.000) 0.000 6.693 ( -0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 7.060 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.103 ( 0.000 0.000 0.000) 0.000 7.368 ( 0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 0.000) 0.000 7.419 ( -0.000 0.000 0.000) 0.000 7.677 ( -0.000 0.000 0.000) 0.000 7.741 ( 0.000 0.000 0.000) 0.000 7.766 ( 0.000 0.000 0.000) 0.000 7.828 ( 0.000 0.000 0.000) 0.000 7.888 ( -0.000 0.000 0.000) 0.000 8.358 ( 0.000 0.000 0.000) 0.000 8.553 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 9.451 ( 0.000 0.000 0.000) 0.000 10.547 ( 0.000 0.000 0.000) 0.000 10.656 ( 0.000 0.000 0.000) 0.000 10.919 ( 0.000 0.000 0.000) 0.000 10.981 ( 0.000 0.000 0.000) 0.000 12.324 ( 0.000 0.000 0.000) 0.000 12.376 ( 0.000 0.000 0.000) 0.000 12.381 ( 0.000 0.000 0.000) 0.000 12.409 ( 0.000 0.000 0.000) 0.000 12.721 ( 0.000 0.000 0.000) 0.000 12.811 ( 0.000 0.000 0.000) 0.000 13.118 ( 0.000 0.000 0.000) 0.000 13.312 ( 0.000 0.000 0.000) 0.000 13.314 ( 0.000 0.000 0.000) 0.000 13.335 ( 0.000 0.000 0.000) 0.000 13.354 ( 0.000 0.000 0.000) 0.000 13.409 ( 0.000 0.000 0.000) 0.000 13.495 ( 0.000 0.000 0.000) 0.000 13.537 ( 0.000 0.000 0.000) 0.000 13.569 ( -0.000 0.000 0.000) 0.000 13.677 ( 0.000 0.000 0.000) 0.000 13.898 ( -0.000 0.000 0.000) 0.000 13.985 ( 0.000 0.000 0.000) 0.000 14.112 ( 0.000 0.000 0.000) 0.000 14.213 ( 0.000 0.000 0.000) 0.000 14.228 ( 0.000 0.000 0.000) 0.000 14.245 ( 0.000 0.000 0.000) 0.000 14.312 ( 0.000 0.000 0.000) 0.000 14.415 ( 0.000 0.000 0.000) 0.000 14.446 ( 0.000 0.000 0.000) 0.000 14.460 ( -0.000 0.000 0.000) 0.000 14.479 ( 0.000 0.000 0.000) 0.000 14.560 ( 0.000 0.000 0.000) 0.000 14.989 ( 0.000 0.000 0.000) 0.000 15.104 ( 0.000 0.000 0.000) 0.000 15.182 ( 0.000 0.000 0.000) 0.000 15.291 ( 0.000 0.000 0.000) 0.000 15.297 ( 0.000 0.000 0.000) 0.000 15.373 ( 0.000 0.000 0.000) 0.000 15.450 ( 0.000 0.000 0.000) 0.000 15.777 ( 0.000 0.000 0.000) 0.000 16.042 ( 0.000 0.000 0.000) 0.000 16.252 ( 0.000 0.000 0.000) 0.000 16.295 ( 0.000 0.000 0.000) 0.000 16.428 ( 0.000 0.000 0.000) 0.000 17.281 ( 0.000 0.000 0.000) 0.000 17.329 ( 0.000 0.000 0.000) 0.000 17.382 ( 0.000 0.000 0.000) 0.000 17.646 ( 0.000 0.000 0.000) 0.000 17.841 ( 0.000 0.000 0.000) 0.000 18.339 ( 0.000 0.000 0.000) 0.000 18.433 ( 0.000 0.000 0.000) 0.000 18.662 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 23.942 0.000) 23.942 0.695 ( 0.000 31.878 0.000) 31.878 1.331 ( 0.000 -11.689 0.000) 11.689 1.507 ( 0.000 69.171 0.000) 69.171 1.786 ( 0.000 -16.215 0.000) 16.215 3.882 ( 0.000 -35.301 0.000) 35.301 4.258 ( 0.000 4.038 0.000) 4.038 4.447 ( 0.000 -3.088 0.000) 3.088 5.132 ( 0.000 8.163 0.000) 8.163 5.532 ( 0.000 -7.056 0.000) 7.056 5.962 ( 0.000 4.890 0.000) 4.890 6.130 ( 0.000 0.050 0.000) 0.050 6.135 ( 0.000 0.182 0.000) 0.182 6.357 ( 0.000 -13.105 0.000) 13.105 6.558 ( 0.000 6.866 0.000) 6.866 7.000 ( 0.000 13.953 0.000) 13.953 7.088 ( 0.000 -16.119 0.000) 16.119 7.217 ( 0.000 -0.100 0.000) 0.100 7.301 ( 0.000 1.241 0.000) 1.241 7.519 ( 0.000 0.747 0.000) 0.747 7.547 ( 0.000 1.054 0.000) 1.054 7.604 ( 0.000 -7.417 0.000) 7.417 8.025 ( 0.000 12.528 0.000) 12.528 8.120 ( 0.000 0.365 0.000) 0.365 8.133 ( 0.000 -0.163 0.000) 0.163 8.226 ( 0.000 1.179 0.000) 1.179 8.402 ( 0.000 -1.557 0.000) 1.557 8.608 ( 0.000 -6.991 0.000) 6.991 9.818 ( 0.000 1.250 0.000) 1.250 9.879 ( 0.000 -1.051 0.000) 1.051 10.201 ( 0.000 17.324 0.000) 17.324 10.285 ( 0.000 1.309 0.000) 1.309 10.369 ( 0.000 -0.212 0.000) 0.212 10.784 ( 0.000 -3.529 0.000) 3.529 10.831 ( 0.000 3.161 0.000) 3.161 11.225 ( 0.000 -11.702 0.000) 11.702 12.384 ( 0.000 0.929 0.000) 0.929 12.432 ( 0.000 -0.875 0.000) 0.875 12.505 ( 0.000 2.057 0.000) 2.057 12.619 ( 0.000 -2.218 0.000) 2.218 12.674 ( 0.000 0.621 0.000) 0.621 12.723 ( 0.000 -1.423 0.000) 1.423 12.894 ( 0.000 1.922 0.000) 1.922 12.973 ( 0.000 -1.257 0.000) 1.257 13.454 ( 0.000 0.381 0.000) 0.381 13.461 ( 0.000 1.070 0.000) 1.070 13.471 ( 0.000 -0.240 0.000) 0.240 13.509 ( 0.000 -0.728 0.000) 0.728 13.587 ( 0.000 1.271 0.000) 1.271 13.662 ( 0.000 -1.662 0.000) 1.662 13.797 ( 0.000 0.743 0.000) 0.743 13.825 ( 0.000 1.056 0.000) 1.056 13.847 ( 0.000 -0.986 0.000) 0.986 13.915 ( 0.000 -2.730 0.000) 2.730 14.004 ( 0.000 3.611 0.000) 3.611 14.035 ( 0.000 2.760 0.000) 2.760 14.071 ( 0.000 1.001 0.000) 1.001 14.132 ( 0.000 0.881 0.000) 0.881 14.151 ( 0.000 -1.824 0.000) 1.824 14.156 ( 0.000 -1.001 0.000) 1.001 14.245 ( 0.000 3.721 0.000) 3.721 14.481 ( 0.000 1.494 0.000) 1.494 14.526 ( 0.000 0.801 0.000) 0.801 14.620 ( 0.000 -11.797 0.000) 11.797 14.672 ( 0.000 -2.710 0.000) 2.710 14.689 ( 0.000 -2.197 0.000) 2.197 14.725 ( 0.000 0.370 0.000) 0.370 14.768 ( 0.000 -1.054 0.000) 1.054 14.981 ( 0.000 2.299 0.000) 2.299 15.070 ( 0.000 -1.469 0.000) 1.469 15.281 ( 0.000 11.931 0.000) 11.931 15.628 ( 0.000 0.565 0.000) 0.565 15.682 ( 0.000 -1.670 0.000) 1.670 15.682 ( 0.000 -5.442 0.000) 5.442 16.017 ( 0.000 3.964 0.000) 3.964 16.248 ( 0.000 -0.221 0.000) 0.221 16.477 ( 0.000 -8.020 0.000) 8.020 16.541 ( 0.000 -2.760 0.000) 2.760 17.088 ( 0.000 15.265 0.000) 15.265 17.585 ( 0.000 -6.680 0.000) 6.680 19.300 ( 0.000 5.792 0.000) 5.792 19.625 ( 0.000 -6.477 0.000) 6.477 20.885 ( 0.000 3.404 0.000) 3.404 21.036 ( 0.000 -2.369 0.000) 2.369 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 42.450 11.992 0.000) 44.112 1.392 ( 22.657 42.985 0.000) 48.591 1.666 ( 30.319 -9.846 0.000) 31.878 1.911 ( 58.785 32.516 0.000) 67.179 2.386 ( 51.484 -14.283 0.000) 53.429 3.809 ( -5.439 -30.255 0.000) 30.740 4.288 ( 2.965 3.870 0.000) 4.875 4.467 ( 1.938 -2.876 0.000) 3.468 5.254 ( 11.522 6.832 0.000) 13.395 5.659 ( 7.977 -8.851 0.000) 11.915 5.991 ( 2.762 4.691 0.000) 5.443 6.037 ( -9.126 0.544 0.000) 9.142 6.125 ( -1.742 -2.198 0.000) 2.805 6.368 ( 0.904 -12.330 0.000) 12.364 6.615 ( 5.555 6.724 0.000) 8.722 6.985 ( -2.307 11.153 0.000) 11.389 7.045 ( -8.207 -8.139 0.000) 11.558 7.122 ( -9.453 -0.017 0.000) 9.453 7.224 ( -6.764 3.310 0.000) 7.530 7.354 ( -8.208 -1.789 0.000) 8.400 7.455 ( -10.696 -2.445 0.000) 10.971 7.595 ( -0.900 -7.316 0.000) 7.372 7.996 ( -11.636 0.417 0.000) 11.643 8.012 ( -11.441 -0.234 0.000) 11.444 8.046 ( 0.279 10.982 0.000) 10.986 8.145 ( -6.351 3.189 0.000) 7.107 8.329 ( -6.885 -1.407 0.000) 7.027 8.590 ( -1.977 -5.811 0.000) 6.138 9.788 ( -47.540 25.396 0.000) 53.898 9.856 ( -30.506 11.474 0.000) 32.592 9.908 ( 8.463 1.326 0.000) 8.566 9.974 ( 8.816 -1.134 0.000) 8.889 10.363 ( 6.121 1.608 0.000) 6.328 10.432 ( 5.986 -1.202 0.000) 6.105 10.675 ( -13.994 0.996 0.000) 14.029 10.683 ( -13.385 0.087 0.000) 13.385 12.383 ( -0.049 0.889 0.000) 0.890 12.429 ( -0.249 -0.842 0.000) 0.878 12.577 ( 6.272 2.852 0.000) 6.890 12.654 ( -2.095 0.659 0.000) 2.196 12.704 ( -2.052 -1.383 0.000) 2.475 12.709 ( 8.875 -2.192 0.000) 9.142 12.881 ( -1.244 1.833 0.000) 2.215 12.959 ( -1.460 -1.237 0.000) 1.914 13.463 ( 0.785 0.279 0.000) 0.833 13.473 ( 0.264 -0.135 0.000) 0.297 13.480 ( 0.286 1.587 0.000) 1.613 13.550 ( -3.223 1.070 0.000) 3.396 13.609 ( -3.627 -1.091 0.000) 3.788 13.609 ( -0.157 -4.298 0.000) 4.301 13.844 ( -6.680 1.022 0.000) 6.758 13.878 ( 5.990 3.005 0.000) 6.702 13.935 ( -3.552 -2.567 0.000) 4.383 13.944 ( 3.337 2.611 0.000) 4.237 13.984 ( 7.388 3.967 0.000) 8.386 14.040 ( 1.517 -0.118 0.000) 1.522 14.090 ( -0.052 -1.406 0.000) 1.407 14.134 ( 2.042 0.509 0.000) 2.105 14.146 ( 1.047 0.103 0.000) 1.052 14.234 ( 6.180 -2.462 0.000) 6.653 14.446 ( 12.214 2.106 0.000) 12.394 14.463 ( -1.282 0.897 0.000) 1.564 14.524 ( 0.113 0.271 0.000) 0.294 14.600 ( -2.751 0.070 0.000) 2.752 14.699 ( 1.215 -1.331 0.000) 1.802 14.708 ( 7.666 -10.046 0.000) 12.637 14.812 ( 6.518 -0.741 0.000) 6.560 14.883 ( -2.359 -2.331 0.000) 3.317 15.118 ( 5.888 -0.051 0.000) 5.888 15.267 ( 15.346 -10.427 0.000) 18.553 15.313 ( 3.159 11.795 0.000) 12.211 15.625 ( 1.189 1.329 0.000) 1.783 15.711 ( 2.801 -5.410 0.000) 6.092 15.767 ( 6.662 -5.441 0.000) 8.602 16.065 ( 4.482 4.713 0.000) 6.504 16.264 ( -0.263 6.058 0.000) 6.064 16.473 ( 0.102 -8.018 0.000) 8.018 16.674 ( 9.635 -9.830 0.000) 13.764 17.174 ( 7.235 10.795 0.000) 12.996 17.607 ( 2.169 -6.191 0.000) 6.560 19.021 ( -26.413 5.826 0.000) 27.048 19.267 ( -33.800 -3.157 0.000) 33.947 19.765 ( -38.613 38.297 0.000) 54.384 20.567 ( -26.363 -5.037 0.000) 26.840 ======================= Grid point 13 (9/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 24.146 40.708 0.000) 47.330 1.969 ( 44.383 7.684 0.000) 45.043 2.388 ( 40.498 -8.082 0.000) 41.296 3.303 ( 69.331 8.671 0.000) 69.871 3.354 ( 29.280 -23.853 0.000) 37.766 3.921 ( 35.047 -6.070 0.000) 35.569 4.370 ( 5.075 3.421 0.000) 6.120 4.520 ( 3.338 -2.316 0.000) 4.062 5.531 ( 14.267 2.839 0.000) 14.547 5.747 ( -14.364 -0.317 0.000) 14.368 5.823 ( 2.558 -2.848 0.000) 3.828 6.052 ( -5.384 -8.255 0.000) 9.856 6.058 ( 3.553 4.203 0.000) 5.503 6.380 ( -0.021 -9.709 0.000) 9.709 6.691 ( -17.517 8.512 0.000) 19.475 6.779 ( 4.959 5.707 0.000) 7.560 6.817 ( -15.804 2.035 0.000) 15.934 6.856 ( -17.140 -0.130 0.000) 17.141 7.143 ( 0.393 9.978 0.000) 9.986 7.180 ( -14.567 -3.855 0.000) 15.069 7.334 ( 2.734 -12.530 0.000) 12.825 7.569 ( -1.765 -6.729 0.000) 6.957 7.710 ( -16.064 0.420 0.000) 16.070 7.728 ( -16.144 -0.298 0.000) 16.147 7.892 ( -12.350 3.624 0.000) 12.870 8.090 ( -6.352 -1.893 0.000) 6.628 8.201 ( -1.079 8.639 0.000) 8.706 8.519 ( -5.099 -1.815 0.000) 5.412 9.227 ( -17.070 7.154 0.000) 18.508 9.339 ( -19.483 2.248 0.000) 19.612 10.115 ( 11.579 1.430 0.000) 11.667 10.187 ( 11.850 -1.271 0.000) 11.918 10.283 ( -25.529 -0.531 0.000) 25.535 10.293 ( -22.675 -0.905 0.000) 22.693 10.543 ( 9.245 1.678 0.000) 9.396 10.601 ( 9.081 -0.677 0.000) 9.106 12.382 ( -0.029 0.774 0.000) 0.775 12.423 ( -0.397 -0.747 0.000) 0.846 12.588 ( -4.634 0.735 0.000) 4.692 12.638 ( -4.728 -1.225 0.000) 4.884 12.739 ( 9.529 3.129 0.000) 10.029 12.846 ( -2.264 1.582 0.000) 2.762 12.912 ( 10.715 -3.458 0.000) 11.259 12.918 ( -2.534 -1.223 0.000) 2.813 13.452 ( -2.836 1.651 0.000) 3.282 13.475 ( -0.207 0.454 0.000) 0.499 13.480 ( -2.286 0.865 0.000) 2.444 13.490 ( 0.681 0.058 0.000) 0.684 13.546 ( -2.724 -1.272 0.000) 3.007 13.562 ( -4.077 -2.923 0.000) 5.017 13.674 ( -7.476 2.766 0.000) 7.971 13.810 ( -6.168 -1.974 0.000) 6.476 13.948 ( 0.122 2.950 0.000) 2.952 14.053 ( -1.191 -0.355 0.000) 1.243 14.080 ( 7.327 0.215 0.000) 7.330 14.111 ( 3.673 4.331 0.000) 5.679 14.138 ( 3.414 -1.873 0.000) 3.894 14.182 ( 3.195 0.731 0.000) 3.277 14.197 ( 5.815 0.395 0.000) 5.828 14.305 ( -0.353 -3.618 0.000) 3.635 14.454 ( -0.193 0.407 0.000) 0.450 14.542 ( 0.186 4.146 0.000) 4.150 14.555 ( -0.231 -2.415 0.000) 2.426 14.674 ( 10.532 1.794 0.000) 10.684 14.722 ( 0.044 -2.374 0.000) 2.375 14.830 ( -0.290 2.320 0.000) 2.338 14.876 ( 8.623 -8.130 0.000) 11.851 14.965 ( 8.779 -2.948 0.000) 9.261 15.258 ( 6.827 2.595 0.000) 7.304 15.397 ( 5.071 11.444 0.000) 12.518 15.429 ( 3.071 -3.749 0.000) 4.846 15.700 ( 6.851 1.317 0.000) 6.977 15.786 ( 4.567 -5.335 0.000) 7.023 15.864 ( 1.141 -6.816 0.000) 6.910 16.144 ( 2.646 4.247 0.000) 5.004 16.361 ( 10.198 5.517 0.000) 11.595 16.457 ( 1.310 -0.579 0.000) 1.432 16.866 ( 9.687 -8.877 0.000) 13.139 17.341 ( 9.469 6.791 0.000) 11.652 17.669 ( 4.158 -5.197 0.000) 6.656 18.488 ( -31.685 -0.759 0.000) 31.695 18.555 ( -27.775 -3.409 0.000) 27.983 19.308 ( -17.904 21.119 0.000) 27.687 20.021 ( -27.380 -8.894 0.000) 28.788 ======================= Grid point 14 (10/90) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 36.635 23.826 0.000) 43.702 2.814 ( 40.333 6.776 0.000) 40.898 3.207 ( 41.387 -8.103 0.000) 42.173 3.513 ( 5.468 -20.260 0.000) 20.985 4.478 ( 5.644 2.895 0.000) 6.343 4.593 ( 3.808 -1.595 0.000) 4.128 4.673 ( 62.548 8.579 0.000) 63.134 5.002 ( 52.071 -1.342 0.000) 52.088 5.317 ( -18.142 2.021 0.000) 18.254 5.541 ( -21.850 -7.417 0.000) 23.074 5.951 ( 13.414 -2.405 0.000) 13.628 6.082 ( -4.383 4.114 0.000) 6.012 6.095 ( 11.560 -2.282 0.000) 11.783 6.339 ( -7.828 -6.079 0.000) 9.911 6.370 ( -9.331 12.403 0.000) 15.522 6.451 ( -15.862 0.565 0.000) 15.872 6.479 ( -17.769 -0.454 0.000) 17.774 6.852 ( -7.526 -7.239 0.000) 10.442 7.015 ( 5.059 4.441 0.000) 6.732 7.204 ( 4.883 7.316 0.000) 8.795 7.397 ( -14.350 0.342 0.000) 14.354 7.400 ( 3.251 -11.077 0.000) 11.544 7.416 ( -14.491 -0.338 0.000) 14.495 7.534 ( -2.255 -5.310 0.000) 5.769 7.650 ( -11.329 3.346 0.000) 11.812 7.895 ( -10.389 -6.614 0.000) 12.316 8.249 ( 3.133 8.447 0.000) 9.009 8.417 ( -4.609 1.684 0.000) 4.907 8.970 ( -10.334 3.020 0.000) 10.766 9.053 ( -12.970 0.774 0.000) 12.993 9.663 ( -36.318 1.238 0.000) 36.339 9.795 ( -25.183 -3.716 0.000) 25.456 10.337 ( 10.306 1.470 0.000) 10.410 10.413 ( 10.399 -1.359 0.000) 10.488 10.732 ( 8.982 1.214 0.000) 9.064 10.783 ( 8.632 -0.747 0.000) 8.664 12.382 ( 0.045 0.609 0.000) 0.611 12.415 ( -0.417 -0.609 0.000) 0.738 12.479 ( -5.923 0.764 0.000) 5.972 12.525 ( -6.213 -0.979 0.000) 6.289 12.797 ( -2.567 1.312 0.000) 2.883 12.864 ( -2.771 -1.223 0.000) 3.029 12.930 ( 9.187 2.885 0.000) 9.630 13.105 ( 8.366 -3.839 0.000) 9.204 13.385 ( -3.430 1.345 0.000) 3.684 13.420 ( -2.543 1.357 0.000) 2.883 13.466 ( -5.145 -1.795 0.000) 5.449 13.476 ( -0.722 1.234 0.000) 1.430 13.502 ( -1.616 -1.620 0.000) 2.288 13.510 ( 0.774 -0.321 0.000) 0.838 13.580 ( -1.897 2.358 0.000) 3.026 13.717 ( -3.305 -1.968 0.000) 3.847 13.917 ( -1.667 2.724 0.000) 3.194 14.036 ( -1.347 -1.569 0.000) 2.068 14.136 ( -0.383 2.176 0.000) 2.210 14.172 ( 1.940 -1.227 0.000) 2.295 14.178 ( 1.908 -1.500 0.000) 2.427 14.259 ( -3.222 -2.868 0.000) 4.314 14.287 ( 6.815 1.838 0.000) 7.059 14.334 ( 6.553 -0.366 0.000) 6.563 14.426 ( -2.200 3.257 0.000) 3.930 14.495 ( -2.686 1.056 0.000) 2.886 14.578 ( -0.295 -1.598 0.000) 1.625 14.655 ( -5.403 -2.037 0.000) 5.774 14.854 ( 7.543 1.682 0.000) 7.728 14.937 ( 8.323 3.630 0.000) 9.080 15.031 ( 6.762 -7.096 0.000) 9.802 15.138 ( 7.898 -4.168 0.000) 8.930 15.330 ( -0.284 2.359 0.000) 2.376 15.428 ( -2.660 -1.491 0.000) 3.049 15.500 ( 5.057 11.038 0.000) 12.142 15.835 ( -1.796 1.686 0.000) 2.463 15.880 ( 4.623 -5.253 0.000) 6.998 15.896 ( 12.375 -0.258 0.000) 12.378 16.197 ( 2.722 2.864 0.000) 3.951 16.362 ( -2.572 -3.698 0.000) 4.504 16.790 ( 22.881 3.585 0.000) 23.160 17.052 ( 8.913 -5.718 0.000) 10.590 17.539 ( 10.124 3.943 0.000) 10.864 17.766 ( 3.347 -4.233 0.000) 5.396 17.894 ( -20.736 3.379 0.000) 21.009 18.144 ( -17.826 -8.126 0.000) 19.590 18.961 ( -17.284 14.755 0.000) 22.726 19.497 ( -25.837 -7.457 0.000) 26.891 ======================= Grid point 15 (11/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 42.371 10.452 0.000) 43.641 3.514 ( 28.616 7.363 0.000) 29.548 3.693 ( 12.426 -8.472 0.000) 15.040 3.979 ( 34.829 -10.899 0.000) 36.494 4.585 ( 5.272 2.863 0.000) 5.999 4.665 ( 3.397 -0.880 0.000) 3.509 4.732 ( -27.056 -0.721 0.000) 27.066 4.884 ( -36.698 -6.035 0.000) 37.191 5.626 ( 28.500 8.865 0.000) 29.847 5.741 ( -25.674 5.498 0.000) 26.256 5.965 ( -20.602 -2.972 0.000) 20.815 6.013 ( 15.421 3.288 0.000) 15.767 6.239 ( 7.533 -2.199 0.000) 7.847 6.326 ( -0.521 0.055 0.000) 0.524 6.351 ( -1.956 -0.916 0.000) 2.160 6.360 ( 36.260 9.317 0.000) 37.438 6.578 ( 20.268 -5.554 0.000) 21.016 6.723 ( 9.583 -4.219 0.000) 10.470 7.166 ( -8.411 0.353 0.000) 8.418 7.171 ( 8.787 0.613 0.000) 8.809 7.184 ( -8.399 -0.332 0.000) 8.406 7.312 ( 5.586 3.156 0.000) 6.416 7.454 ( 0.809 -6.049 0.000) 6.103 7.474 ( -3.878 0.491 0.000) 3.909 7.484 ( -2.939 -3.211 0.000) 4.353 7.720 ( -6.763 -7.071 0.000) 9.784 8.275 ( -13.401 1.876 0.000) 13.532 8.285 ( -3.676 0.877 0.000) 3.779 8.692 ( -23.456 2.475 0.000) 23.586 8.743 ( -18.370 0.037 0.000) 18.370 8.967 ( -22.450 10.825 0.000) 24.923 9.440 ( -9.185 -7.590 0.000) 11.916 10.502 ( 6.046 1.463 0.000) 6.220 10.579 ( 6.048 -1.392 0.000) 6.206 10.877 ( 5.252 1.025 0.000) 5.351 10.922 ( 5.091 -0.715 0.000) 5.141 12.373 ( -3.892 0.630 0.000) 3.943 12.384 ( -0.131 0.503 0.000) 0.520 12.407 ( -1.021 -0.562 0.000) 1.165 12.416 ( -3.679 -0.640 0.000) 3.735 12.752 ( -1.776 1.165 0.000) 2.124 12.816 ( -1.869 -1.218 0.000) 2.231 13.081 ( 5.651 2.333 0.000) 6.114 13.232 ( 4.351 -3.455 0.000) 5.555 13.331 ( -1.729 0.866 0.000) 1.934 13.376 ( -3.577 -0.721 0.000) 3.649 13.381 ( -1.336 1.397 0.000) 1.933 13.456 ( -0.832 2.458 0.000) 2.595 13.476 ( -1.022 -1.809 0.000) 2.078 13.526 ( 0.844 -0.235 0.000) 0.876 13.573 ( 0.316 1.016 0.000) 1.064 13.673 ( -1.257 -1.737 0.000) 2.145 13.903 ( 0.151 1.857 0.000) 1.863 13.998 ( -2.188 -1.875 0.000) 2.882 14.121 ( -0.679 0.919 0.000) 1.143 14.196 ( 0.783 -0.763 0.000) 1.093 14.202 ( -2.190 -2.670 0.000) 3.453 14.209 ( 1.040 -1.800 0.000) 2.079 14.389 ( -1.363 4.490 0.000) 4.692 14.406 ( 4.615 1.147 0.000) 4.756 14.434 ( 3.367 -0.115 0.000) 3.369 14.448 ( -1.620 0.714 0.000) 1.771 14.545 ( -5.136 -0.520 0.000) 5.162 14.557 ( -1.346 -1.481 0.000) 2.001 14.968 ( 3.916 1.664 0.000) 4.255 15.069 ( 4.054 1.862 0.000) 4.461 15.135 ( 3.665 -6.612 0.000) 7.560 15.239 ( 1.251 -4.069 0.000) 4.256 15.277 ( -3.425 1.643 0.000) 3.798 15.367 ( -1.315 -0.302 0.000) 1.350 15.584 ( 3.141 10.730 0.000) 11.180 15.829 ( 0.717 5.246 0.000) 5.295 15.957 ( 2.890 -5.191 0.000) 5.941 16.128 ( 8.139 -6.839 0.000) 10.631 16.251 ( 2.807 2.566 0.000) 3.803 16.351 ( 2.580 0.065 0.000) 2.581 17.180 ( 11.553 -1.787 0.000) 11.690 17.215 ( 9.715 -2.071 0.000) 9.933 17.508 ( -10.653 5.028 0.000) 11.780 17.702 ( -1.911 -3.255 0.000) 3.775 17.870 ( -1.264 1.741 0.000) 2.152 18.011 ( 13.801 -3.168 0.000) 14.160 18.641 ( -14.208 8.457 0.000) 16.534 18.996 ( -24.643 -5.413 0.000) 25.231 ======================= Grid point 16 (12/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.826 ( 0.000 8.195 0.000) 8.195 3.889 ( -0.000 0.891 0.000) 0.891 3.950 ( -0.000 -1.682 0.000) 1.682 4.111 ( 0.000 4.774 0.000) 4.774 4.383 ( 0.000 -14.690 0.000) 14.690 4.441 ( -0.000 -7.450 0.000) 7.450 4.692 ( -0.000 0.307 0.000) 0.307 4.707 ( -0.000 -0.162 0.000) 0.162 5.369 ( 0.000 11.174 0.000) 11.174 5.722 ( 0.000 -4.062 0.000) 4.062 5.897 ( -0.000 8.410 0.000) 8.410 6.027 ( 0.000 8.100 0.000) 8.100 6.329 ( -0.000 0.019 0.000) 0.019 6.330 ( 0.000 0.002 0.000) 0.002 6.359 ( 0.000 -6.329 0.000) 6.329 6.549 ( -0.000 -9.818 0.000) 9.818 6.956 ( 0.000 12.168 0.000) 12.168 7.081 ( 0.000 0.346 0.000) 0.346 7.099 ( 0.000 -0.336 0.000) 0.336 7.131 ( -0.000 6.392 0.000) 6.392 7.388 ( 0.000 1.364 0.000) 1.364 7.411 ( 0.000 -0.311 0.000) 0.311 7.414 ( -0.000 -0.409 0.000) 0.409 7.577 ( 0.000 -7.900 0.000) 7.900 7.609 ( -0.000 -14.264 0.000) 14.264 7.644 ( -0.000 -6.873 0.000) 6.873 7.831 ( -0.000 1.266 0.000) 1.266 7.868 ( -0.000 -1.035 0.000) 1.035 8.437 ( 0.000 5.662 0.000) 5.662 8.563 ( 0.000 0.275 0.000) 0.275 8.829 ( 0.000 13.882 0.000) 13.882 9.365 ( 0.000 -7.905 0.000) 7.905 10.564 ( 0.000 1.454 0.000) 1.454 10.640 ( 0.000 -1.398 0.000) 1.398 10.930 ( 0.000 0.963 0.000) 0.963 10.974 ( 0.000 -0.704 0.000) 0.704 12.331 ( 0.000 0.661 0.000) 0.661 12.368 ( 0.000 -0.732 0.000) 0.732 12.385 ( 0.000 0.389 0.000) 0.389 12.406 ( 0.000 -0.346 0.000) 0.346 12.733 ( 0.000 1.125 0.000) 1.125 12.797 ( 0.000 -1.216 0.000) 1.216 13.139 ( 0.000 1.986 0.000) 1.986 13.272 ( 0.000 -3.057 0.000) 3.057 13.323 ( 0.000 0.360 0.000) 0.360 13.334 ( 0.000 -0.063 0.000) 0.063 13.368 ( 0.000 1.400 0.000) 1.400 13.448 ( 0.000 3.211 0.000) 3.211 13.465 ( 0.000 -2.354 0.000) 2.354 13.536 ( 0.000 -0.344 0.000) 0.344 13.577 ( -0.000 0.815 0.000) 0.815 13.662 ( 0.000 -1.622 0.000) 1.622 13.910 ( 0.000 1.099 0.000) 1.099 13.970 ( 0.000 -1.275 0.000) 1.275 14.115 ( 0.000 0.380 0.000) 0.380 14.179 ( 0.000 -2.734 0.000) 2.734 14.204 ( 0.000 -0.706 0.000) 0.706 14.219 ( 0.000 -1.805 0.000) 1.805 14.374 ( 0.000 3.779 0.000) 3.779 14.444 ( 0.000 2.481 0.000) 2.481 14.456 ( 0.000 0.665 0.000) 0.665 14.463 ( -0.000 0.240 0.000) 0.240 14.476 ( -0.000 -0.556 0.000) 0.556 14.542 ( 0.000 -1.517 0.000) 1.517 15.007 ( 0.000 1.667 0.000) 1.667 15.099 ( 0.000 0.480 0.000) 0.480 15.172 ( 0.000 -6.470 0.000) 6.470 15.236 ( 0.000 4.043 0.000) 4.043 15.237 ( -0.000 -4.509 0.000) 4.509 15.372 ( 0.000 -0.991 0.000) 0.991 15.616 ( 0.000 10.614 0.000) 10.614 15.839 ( 0.000 5.663 0.000) 5.663 15.986 ( 0.000 -5.166 0.000) 5.166 16.189 ( 0.000 -8.213 0.000) 8.213 16.279 ( 0.000 2.495 0.000) 2.495 16.419 ( 0.000 -1.951 0.000) 1.951 17.266 ( 0.000 0.424 0.000) 0.424 17.360 ( 0.000 -2.010 0.000) 2.010 17.391 ( -0.000 4.317 0.000) 4.317 17.600 ( 0.000 -4.054 0.000) 4.054 17.939 ( 0.000 8.082 0.000) 8.082 18.281 ( 0.000 -5.290 0.000) 5.290 18.474 ( -0.000 3.392 0.000) 3.392 18.633 ( -0.000 -2.681 0.000) 2.681 ======================= Grid point 22 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 0.000 -19.745 0.000) 19.745 0.991 ( 0.000 19.745 0.000) 19.745 1.322 ( 0.000 -26.703 0.000) 26.703 1.322 ( 0.000 26.703 0.000) 26.703 2.869 ( 0.000 -58.186 0.000) 58.186 2.869 ( 0.000 58.186 0.000) 58.186 4.359 ( 0.000 -4.939 0.000) 4.939 4.359 ( 0.000 4.939 0.000) 4.939 5.340 ( 0.000 -10.394 0.000) 10.394 5.340 ( 0.000 10.394 0.000) 10.394 6.115 ( 0.000 -9.512 0.000) 9.512 6.115 ( 0.000 9.512 0.000) 9.512 6.134 ( 0.000 -0.231 0.000) 0.231 6.134 ( 0.000 0.231 0.000) 0.231 6.772 ( 0.000 -13.060 0.000) 13.060 6.772 ( 0.000 13.060 0.000) 13.060 7.195 ( 0.000 -3.260 0.000) 3.260 7.195 ( 0.000 3.260 0.000) 3.260 7.407 ( 0.000 -9.512 0.000) 9.512 7.407 ( 0.000 9.512 0.000) 9.512 7.539 ( 0.000 -0.996 0.000) 0.996 7.539 ( 0.000 0.996 0.000) 0.996 8.128 ( 0.000 -0.323 0.000) 0.323 8.128 ( 0.000 0.323 0.000) 0.323 8.228 ( 0.000 -3.276 0.000) 3.276 8.228 ( 0.000 3.276 0.000) 3.276 8.433 ( 0.000 -6.874 0.000) 6.874 8.433 ( 0.000 6.874 0.000) 6.874 9.850 ( 0.000 -1.613 0.000) 1.613 9.850 ( 0.000 1.613 0.000) 1.613 10.318 ( 0.000 -1.544 0.000) 1.544 10.318 ( 0.000 1.544 0.000) 1.544 10.614 ( 0.000 -14.546 0.000) 14.546 10.614 ( 0.000 14.546 0.000) 14.546 10.957 ( 0.000 -10.101 0.000) 10.101 10.957 ( 0.000 10.104 0.000) 10.104 12.408 ( 0.000 -1.274 0.000) 1.274 12.408 ( 0.000 1.274 0.000) 1.274 12.561 ( 0.000 -2.997 0.000) 2.997 12.561 ( 0.000 2.997 0.000) 2.997 12.694 ( 0.000 -1.230 0.000) 1.230 12.694 ( 0.000 1.230 0.000) 1.230 12.938 ( 0.000 -2.032 0.000) 2.032 12.938 ( 0.000 2.032 0.000) 2.032 13.464 ( 0.000 -0.436 0.000) 0.436 13.464 ( 0.000 0.436 0.000) 0.436 13.488 ( 0.000 -1.252 0.000) 1.252 13.488 ( 0.000 1.252 0.000) 1.252 13.622 ( 0.000 -1.937 0.000) 1.937 13.622 ( 0.000 1.937 0.000) 1.937 13.821 ( 0.000 -1.323 0.000) 1.323 13.821 ( 0.000 1.323 0.000) 1.323 13.860 ( 0.000 -2.233 0.000) 2.233 13.860 ( 0.000 2.233 0.000) 2.233 14.081 ( 0.000 -0.822 0.000) 0.822 14.081 ( 0.000 0.823 0.000) 0.823 14.090 ( 0.000 -3.894 0.000) 3.894 14.090 ( 0.000 3.894 0.000) 3.894 14.136 ( 0.000 -0.341 0.000) 0.341 14.136 ( 0.000 0.341 0.000) 0.341 14.388 ( 0.000 -9.409 0.000) 9.409 14.388 ( 0.000 9.409 0.000) 9.409 14.522 ( 0.000 -1.751 0.000) 1.751 14.522 ( 0.000 1.751 0.000) 1.751 14.643 ( 0.000 -1.057 0.000) 1.057 14.643 ( 0.000 1.057 0.000) 1.057 14.744 ( 0.000 -1.158 0.000) 1.158 14.744 ( 0.000 1.158 0.000) 1.158 15.030 ( 0.000 -2.201 0.000) 2.201 15.030 ( 0.000 2.201 0.000) 2.201 15.518 ( 0.000 -9.886 0.000) 9.886 15.518 ( 0.000 9.886 0.000) 9.886 15.648 ( 0.000 -1.359 0.000) 1.359 15.648 ( 0.000 1.359 0.000) 1.359 16.140 ( 0.000 -7.268 0.000) 7.268 16.140 ( 0.000 7.268 0.000) 7.268 16.465 ( 0.000 -3.699 0.000) 3.699 16.465 ( 0.000 3.699 0.000) 3.699 17.383 ( 0.000 -12.164 0.000) 12.164 17.383 ( 0.000 12.164 0.000) 12.164 19.458 ( 0.000 -8.498 0.000) 8.498 19.458 ( 0.000 8.500 0.000) 8.500 20.967 ( 0.000 -3.920 0.000) 3.920 20.967 ( 0.000 3.921 0.000) 3.921 ======================= Grid point 24 (14/90) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 34.671 -14.742 0.000) 37.675 1.395 ( 34.671 14.742 0.000) 37.675 1.995 ( 51.020 -21.666 0.000) 55.430 1.995 ( 51.020 21.666 0.000) 55.430 2.920 ( 9.475 -50.883 0.000) 51.758 2.920 ( 9.475 50.883 0.000) 51.758 4.384 ( 2.479 -4.663 0.000) 5.281 4.384 ( 2.479 4.663 0.000) 5.281 5.449 ( 9.592 -10.474 0.000) 14.203 5.449 ( 9.592 10.474 0.000) 14.203 6.070 ( -6.581 -2.448 0.000) 7.021 6.070 ( -6.581 2.448 0.000) 7.021 6.137 ( 2.131 -9.109 0.000) 9.355 6.137 ( 2.131 9.109 0.000) 9.355 6.813 ( 3.575 -11.399 0.000) 11.946 6.813 ( 3.575 11.399 0.000) 11.947 7.109 ( -8.910 -1.746 0.000) 9.080 7.109 ( -8.910 1.746 0.000) 9.080 7.389 ( -13.496 -3.325 0.000) 13.900 7.389 ( -13.496 3.325 0.000) 13.900 7.392 ( -1.076 -10.888 0.000) 10.941 7.392 ( -1.076 10.888 0.000) 10.941 8.005 ( -11.553 -0.407 0.000) 11.560 8.005 ( -11.553 0.407 0.000) 11.560 8.177 ( -6.133 -2.445 0.000) 6.603 8.177 ( -6.133 2.445 0.000) 6.603 8.417 ( -0.740 -9.352 0.000) 9.381 8.417 ( -0.740 9.352 0.000) 9.382 9.942 ( 8.633 -1.727 0.000) 8.804 9.942 ( 8.633 1.727 0.000) 8.804 10.023 ( -43.782 -2.719 0.000) 43.866 10.023 ( -43.781 2.721 0.000) 43.865 10.401 ( 4.952 -1.640 0.000) 5.217 10.401 ( 4.953 1.640 0.000) 5.217 10.689 ( -15.099 -0.121 0.000) 15.099 10.689 ( -15.099 0.121 0.000) 15.099 12.407 ( -0.154 -1.222 0.000) 1.231 12.407 ( -0.154 1.222 0.000) 1.231 12.647 ( 7.418 -3.406 0.000) 8.163 12.647 ( 7.418 3.406 0.000) 8.163 12.675 ( -2.028 -1.252 0.000) 2.383 12.675 ( -2.028 1.252 0.000) 2.383 12.924 ( -1.395 -1.977 0.000) 2.420 12.924 ( -1.395 1.977 0.000) 2.420 13.469 ( 0.521 -0.257 0.000) 0.581 13.469 ( 0.521 0.257 0.000) 0.581 13.529 ( 0.545 -3.084 0.000) 3.132 13.529 ( 0.545 3.084 0.000) 3.132 13.579 ( -3.380 -1.556 0.000) 3.721 13.579 ( -3.380 1.556 0.000) 3.721 13.880 ( -3.173 -2.320 0.000) 3.931 13.880 ( -3.173 2.320 0.000) 3.931 13.958 ( 7.230 -4.131 0.000) 8.327 13.958 ( 7.230 4.131 0.000) 8.327 14.007 ( 0.137 -2.770 0.000) 2.773 14.007 ( 0.137 2.770 0.000) 2.774 14.146 ( 1.241 -0.372 0.000) 1.295 14.146 ( 1.241 0.372 0.000) 1.295 14.153 ( 4.561 -4.929 0.000) 6.715 14.153 ( 4.561 4.929 0.000) 6.715 14.499 ( -1.334 -2.164 0.000) 2.543 14.499 ( -1.334 2.164 0.000) 2.543 14.531 ( 10.613 -6.228 0.000) 12.306 14.531 ( 10.613 6.228 0.000) 12.306 14.642 ( 0.718 -3.457 0.000) 3.531 14.642 ( 0.718 3.457 0.000) 3.531 14.825 ( 3.423 -2.162 0.000) 4.049 14.825 ( 3.423 2.162 0.000) 4.049 15.138 ( 10.828 -2.566 0.000) 11.128 15.138 ( 10.828 2.566 0.000) 11.128 15.547 ( 2.915 -9.799 0.000) 10.223 15.547 ( 2.915 9.799 0.000) 10.223 15.672 ( 2.502 -3.307 0.000) 4.146 15.672 ( 2.502 3.307 0.000) 4.146 16.205 ( 5.031 -8.203 0.000) 9.623 16.205 ( 5.031 8.203 0.000) 9.623 16.497 ( 3.752 -7.759 0.000) 8.618 16.497 ( 3.752 7.759 0.000) 8.619 17.420 ( 3.601 -11.023 0.000) 11.596 17.420 ( 3.601 11.023 0.000) 11.596 19.152 ( -29.453 -6.474 0.000) 30.156 19.152 ( -29.452 6.477 0.000) 30.156 20.353 ( -39.583 -17.013 0.000) 43.084 20.353 ( -39.583 17.013 0.000) 43.084 ======================= Grid point 26 (15/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 42.079 -10.962 0.000) 43.483 2.176 ( 42.079 10.962 0.000) 43.483 2.655 ( 15.568 -38.677 0.000) 41.692 2.655 ( 15.568 38.677 0.000) 41.692 3.636 ( 60.773 -17.568 0.000) 63.261 3.636 ( 60.773 17.568 0.000) 63.261 4.452 ( 4.248 -3.913 0.000) 5.776 4.452 ( 4.248 3.913 0.000) 5.776 5.643 ( 5.900 -6.938 0.000) 9.108 5.643 ( 5.900 6.938 0.000) 9.108 5.883 ( -9.345 -6.821 0.000) 11.570 5.883 ( -9.345 6.821 0.000) 11.570 6.188 ( 2.532 -7.909 0.000) 8.304 6.188 ( 2.532 7.909 0.000) 8.304 6.845 ( -17.446 -0.852 0.000) 17.467 6.845 ( -17.446 0.852 0.000) 17.467 6.846 ( -4.323 -3.336 0.000) 5.460 6.846 ( -4.323 3.337 0.000) 5.461 7.135 ( -6.572 -3.463 0.000) 7.429 7.135 ( -6.572 3.463 0.000) 7.429 7.377 ( -0.351 -10.904 0.000) 10.910 7.377 ( -0.351 10.904 0.000) 10.910 7.719 ( -16.166 -0.451 0.000) 16.172 7.719 ( -16.166 0.451 0.000) 16.172 7.988 ( -11.874 -5.284 0.000) 12.997 7.988 ( -11.874 5.284 0.000) 12.997 8.412 ( -0.216 -8.339 0.000) 8.342 8.412 ( -0.217 8.340 0.000) 8.343 9.345 ( -23.029 -2.739 0.000) 23.192 9.345 ( -23.029 2.742 0.000) 23.192 10.152 ( 11.700 -1.901 0.000) 11.853 10.152 ( 11.700 1.901 0.000) 11.853 10.279 ( -24.121 -0.315 0.000) 24.123 10.279 ( -24.121 0.315 0.000) 24.123 10.578 ( 8.760 -1.461 0.000) 8.881 10.578 ( 8.760 1.461 0.000) 8.881 12.403 ( -0.220 -1.071 0.000) 1.093 12.403 ( -0.220 1.071 0.000) 1.093 12.610 ( -4.595 -1.270 0.000) 4.767 12.610 ( -4.595 1.270 0.000) 4.767 12.824 ( 9.810 -4.499 0.000) 10.792 12.824 ( 9.810 4.499 0.000) 10.792 12.884 ( -2.487 -1.867 0.000) 3.110 12.884 ( -2.487 1.867 0.000) 3.110 13.483 ( 0.799 -0.290 0.000) 0.850 13.483 ( 0.799 0.290 0.000) 0.850 13.499 ( -3.177 -2.737 0.000) 4.193 13.499 ( -3.177 2.737 0.000) 4.193 13.513 ( -3.091 -1.639 0.000) 3.498 13.513 ( -3.091 1.639 0.000) 3.498 13.747 ( -6.692 -3.673 0.000) 7.634 13.747 ( -6.692 3.673 0.000) 7.634 14.018 ( -0.444 -2.998 0.000) 3.031 14.018 ( -0.444 2.998 0.000) 3.031 14.098 ( 4.887 -1.569 0.000) 5.133 14.098 ( 4.887 1.569 0.000) 5.133 14.196 ( 4.577 -0.425 0.000) 4.597 14.196 ( 4.577 0.425 0.000) 4.597 14.212 ( 0.855 -4.901 0.000) 4.975 14.212 ( 0.855 4.901 0.000) 4.975 14.491 ( 0.319 -2.872 0.000) 2.890 14.491 ( 0.319 2.873 0.000) 2.890 14.645 ( -1.251 -4.753 0.000) 4.915 14.645 ( -1.251 4.754 0.000) 4.915 14.740 ( 9.985 -4.658 0.000) 11.018 14.740 ( 9.985 4.658 0.000) 11.018 14.893 ( 5.433 -3.465 0.000) 6.444 14.893 ( 5.433 3.465 0.000) 6.444 15.336 ( 6.821 -4.497 0.000) 8.170 15.336 ( 6.821 4.497 0.000) 8.171 15.625 ( 4.724 -9.595 0.000) 10.695 15.625 ( 4.724 9.595 0.000) 10.695 15.751 ( 5.492 -3.705 0.000) 6.625 15.751 ( 5.492 3.705 0.000) 6.625 16.268 ( 0.905 -7.036 0.000) 7.094 16.268 ( 0.905 7.036 0.000) 7.094 16.642 ( 11.018 -11.290 0.000) 15.775 16.642 ( 11.018 11.291 0.000) 15.776 17.517 ( 6.072 -8.667 0.000) 10.582 17.517 ( 6.072 8.667 0.000) 10.582 18.500 ( -31.473 -1.791 0.000) 31.524 18.500 ( -31.473 1.792 0.000) 31.524 19.738 ( -25.307 -17.724 0.000) 30.897 19.738 ( -25.308 17.724 0.000) 30.897 ======================= Grid point 28 (16/90) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 19.728 -28.896 0.000) 34.988 2.974 ( 19.728 28.896 0.000) 34.988 3.002 ( 40.508 -10.250 0.000) 41.785 3.002 ( 40.508 10.250 0.000) 41.785 4.544 ( 4.809 -2.918 0.000) 5.625 4.544 ( 4.809 2.918 0.000) 5.625 4.886 ( 58.303 -9.629 0.000) 59.092 4.886 ( 58.303 9.629 0.000) 59.092 5.386 ( -22.150 -6.259 0.000) 23.017 5.386 ( -22.150 6.259 0.000) 23.017 5.999 ( 14.878 -5.627 0.000) 15.907 5.999 ( 14.878 5.627 0.000) 15.907 6.199 ( -4.408 -6.557 0.000) 7.901 6.199 ( -4.408 6.557 0.000) 7.901 6.465 ( -17.531 -0.752 0.000) 17.547 6.465 ( -17.531 0.752 0.000) 17.547 6.643 ( -11.419 -12.163 0.000) 16.683 6.643 ( -11.419 12.163 0.000) 16.683 7.168 ( 5.305 -9.800 0.000) 11.144 7.168 ( 5.305 9.801 0.000) 11.144 7.378 ( -0.633 -7.524 0.000) 7.551 7.378 ( -0.633 7.524 0.000) 7.551 7.410 ( -13.227 -0.918 0.000) 13.259 7.410 ( -13.227 0.918 0.000) 13.259 7.752 ( -11.182 -6.187 0.000) 12.780 7.752 ( -11.182 6.188 0.000) 12.780 8.394 ( -1.827 -4.313 0.000) 4.684 8.394 ( -1.827 4.314 0.000) 4.684 9.038 ( -11.119 -2.486 0.000) 11.394 9.038 ( -11.119 2.489 0.000) 11.394 9.712 ( -31.317 -3.463 0.000) 31.508 9.712 ( -31.317 3.463 0.000) 31.508 10.375 ( 10.336 -1.995 0.000) 10.527 10.375 ( 10.336 1.995 0.000) 10.527 10.761 ( 8.732 -1.307 0.000) 8.829 10.761 ( 8.732 1.307 0.000) 8.829 12.398 ( -0.195 -0.850 0.000) 0.872 12.398 ( -0.195 0.850 0.000) 0.872 12.501 ( -5.993 -1.189 0.000) 6.110 12.501 ( -5.993 1.189 0.000) 6.110 12.831 ( -2.737 -1.769 0.000) 3.259 12.831 ( -2.737 1.769 0.000) 3.259 13.011 ( 8.677 -4.536 0.000) 9.791 13.011 ( 8.677 4.536 0.000) 9.791 13.423 ( -4.069 -2.081 0.000) 4.570 13.423 ( -4.069 2.081 0.000) 4.570 13.458 ( -2.309 -2.083 0.000) 3.110 13.458 ( -2.309 2.083 0.000) 3.110 13.500 ( 0.717 -0.697 0.000) 1.000 13.500 ( 0.717 0.697 0.000) 1.000 13.651 ( -3.037 -3.863 0.000) 4.914 13.651 ( -3.037 3.863 0.000) 4.914 13.985 ( -2.119 -3.202 0.000) 3.840 13.985 ( -2.119 3.202 0.000) 3.840 14.159 ( 1.881 -0.266 0.000) 1.900 14.159 ( 1.881 0.266 0.000) 1.900 14.193 ( -2.067 -3.150 0.000) 3.767 14.193 ( -2.067 3.150 0.000) 3.767 14.319 ( 6.583 -1.092 0.000) 6.673 14.319 ( 6.583 1.092 0.000) 6.673 14.487 ( -1.056 -2.383 0.000) 2.606 14.487 ( -1.056 2.383 0.000) 2.606 14.594 ( -3.374 -3.177 0.000) 4.635 14.594 ( -3.374 3.177 0.000) 4.635 14.913 ( 7.354 -4.061 0.000) 8.401 14.913 ( 7.354 4.061 0.000) 8.401 15.035 ( 7.460 -5.207 0.000) 9.097 15.035 ( 7.460 5.207 0.000) 9.098 15.384 ( -1.403 -2.549 0.000) 2.909 15.384 ( -1.402 2.549 0.000) 2.909 15.722 ( 4.759 -9.383 0.000) 10.521 15.722 ( 4.759 9.383 0.000) 10.521 15.875 ( 6.297 -1.683 0.000) 6.518 15.875 ( 6.297 1.683 0.000) 6.518 16.275 ( 0.852 -4.215 0.000) 4.300 16.275 ( 0.852 4.215 0.000) 4.301 16.905 ( 14.595 -6.977 0.000) 16.177 16.905 ( 14.595 6.978 0.000) 16.177 17.653 ( 7.039 -6.016 0.000) 9.260 17.653 ( 7.039 6.016 0.000) 9.259 17.992 ( -18.947 -5.977 0.000) 19.867 17.992 ( -18.948 5.977 0.000) 19.868 19.272 ( -22.653 -13.425 0.000) 26.333 19.272 ( -22.653 13.425 0.000) 26.333 ======================= Grid point 30 (17/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.448 ( 27.499 -13.594 0.000) 30.675 3.448 ( 27.499 13.594 0.000) 30.675 3.725 ( 30.610 -11.909 0.000) 32.845 3.725 ( 30.610 11.909 0.000) 32.845 4.636 ( 4.497 -1.885 0.000) 4.876 4.636 ( 4.497 1.885 0.000) 4.876 4.765 ( -31.338 -4.094 0.000) 31.604 4.765 ( -31.338 4.094 0.000) 31.604 5.866 ( 25.972 -12.388 0.000) 28.775 5.866 ( 25.972 12.388 0.000) 28.775 5.870 ( -22.315 -5.839 0.000) 23.066 5.870 ( -22.315 5.839 0.000) 23.066 6.332 ( -0.652 -0.651 0.000) 0.921 6.332 ( -0.652 0.651 0.000) 0.921 6.385 ( 4.711 -11.142 0.000) 12.097 6.385 ( 4.711 11.142 0.000) 12.097 6.578 ( 29.477 -9.609 0.000) 31.004 6.578 ( 29.478 9.609 0.000) 31.004 7.175 ( -8.411 -0.476 0.000) 8.425 7.175 ( -8.411 0.476 0.000) 8.425 7.263 ( 3.701 -8.035 0.000) 8.846 7.263 ( 3.701 8.036 0.000) 8.847 7.398 ( 0.865 -4.514 0.000) 4.596 7.398 ( 0.865 4.514 0.000) 4.596 7.571 ( -6.585 -6.235 0.000) 9.069 7.571 ( -6.585 6.235 0.000) 9.069 8.296 ( -12.455 -0.067 0.000) 12.455 8.296 ( -12.456 0.067 0.000) 12.456 8.735 ( -21.022 -1.202 0.000) 21.057 8.735 ( -21.023 1.203 0.000) 21.057 9.223 ( -12.442 -12.179 0.000) 17.410 9.223 ( -12.443 12.180 0.000) 17.412 10.541 ( 6.037 -2.016 0.000) 6.365 10.541 ( 6.037 2.016 0.000) 6.365 10.901 ( 5.139 -1.186 0.000) 5.274 10.901 ( 5.139 1.186 0.000) 5.274 12.390 ( -2.588 -0.743 0.000) 2.692 12.390 ( -2.588 0.743 0.000) 2.692 12.400 ( -1.745 -0.702 0.000) 1.881 12.400 ( -1.745 0.702 0.000) 1.881 12.784 ( -1.849 -1.706 0.000) 2.516 12.784 ( -1.849 1.706 0.000) 2.516 13.149 ( 4.954 -3.930 0.000) 6.324 13.149 ( 4.954 3.930 0.000) 6.324 13.354 ( -2.478 -1.211 0.000) 2.758 13.354 ( -2.478 1.211 0.000) 2.758 13.423 ( -1.210 -2.384 0.000) 2.673 13.423 ( -1.210 2.384 0.000) 2.673 13.510 ( 0.315 -1.554 0.000) 1.585 13.510 ( 0.315 1.554 0.000) 1.585 13.617 ( -0.736 -3.024 0.000) 3.112 13.617 ( -0.736 3.024 0.000) 3.112 13.951 ( -1.200 -2.456 0.000) 2.733 13.951 ( -1.200 2.456 0.000) 2.733 14.152 ( -1.724 -1.976 0.000) 2.623 14.152 ( -1.724 1.976 0.000) 2.623 14.186 ( 0.927 -0.174 0.000) 0.943 14.186 ( 0.927 0.174 0.000) 0.943 14.426 ( 3.922 -0.686 0.000) 3.982 14.426 ( 3.922 0.686 0.000) 3.982 14.458 ( -1.440 -0.965 0.000) 1.734 14.458 ( -1.440 0.966 0.000) 1.734 14.530 ( -2.681 -0.456 0.000) 2.720 14.530 ( -2.681 0.456 0.000) 2.720 15.025 ( 3.875 -3.854 0.000) 5.465 15.025 ( 3.875 3.854 0.000) 5.465 15.137 ( 2.139 -4.464 0.000) 4.949 15.137 ( 2.139 4.464 0.000) 4.950 15.334 ( -2.005 -2.592 0.000) 3.276 15.334 ( -2.005 2.592 0.000) 3.277 15.801 ( 2.971 -9.232 0.000) 9.698 15.801 ( 2.971 9.232 0.000) 9.698 15.970 ( 3.080 -7.584 0.000) 8.185 15.970 ( 3.080 7.584 0.000) 8.186 16.316 ( 2.780 -3.002 0.000) 4.092 16.316 ( 2.780 3.002 0.000) 4.092 17.173 ( 11.363 -1.248 0.000) 11.431 17.173 ( 11.363 1.248 0.000) 11.431 17.616 ( -9.673 -4.791 0.000) 10.794 17.616 ( -9.673 4.791 0.000) 10.794 17.932 ( 11.347 -3.845 0.000) 11.981 17.932 ( 11.347 3.845 0.000) 11.981 18.838 ( -20.776 -9.118 0.000) 22.689 18.838 ( -20.776 9.118 0.000) 22.689 ======================= Grid point 32 (18/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.914 ( -0.000 -1.539 0.000) 1.539 3.914 ( 0.000 1.539 0.000) 1.539 4.067 ( 0.000 -14.003 0.000) 14.003 4.067 ( 0.000 14.003 0.000) 14.003 4.259 ( 0.000 -8.686 0.000) 8.686 4.259 ( 0.000 8.686 0.000) 8.686 4.700 ( -0.000 -0.414 0.000) 0.414 4.700 ( -0.000 0.414 0.000) 0.414 5.588 ( 0.000 -8.669 0.000) 8.669 5.588 ( 0.000 8.669 0.000) 8.669 6.097 ( -0.000 -7.708 0.000) 7.708 6.097 ( 0.000 7.708 0.000) 7.708 6.324 ( 0.000 -9.060 0.000) 9.060 6.324 ( 0.000 9.060 0.000) 9.060 6.330 ( 0.000 -0.046 0.000) 0.046 6.330 ( 0.000 0.046 0.000) 0.046 7.090 ( 0.000 -0.493 0.000) 0.493 7.090 ( 0.000 0.493 0.000) 0.493 7.256 ( 0.000 -12.147 0.000) 12.147 7.256 ( 0.000 12.146 0.000) 12.146 7.319 ( -0.000 -4.919 0.000) 4.919 7.319 ( -0.000 4.920 0.000) 4.920 7.408 ( 0.000 -0.061 0.000) 0.061 7.408 ( 0.000 0.061 0.000) 0.061 7.520 ( -0.000 -4.034 0.000) 4.034 7.520 ( -0.000 4.034 0.000) 4.034 7.851 ( -0.000 -0.754 0.000) 0.754 7.851 ( -0.000 0.754 0.000) 0.754 8.537 ( 0.000 -3.097 0.000) 3.097 8.537 ( 0.000 3.098 0.000) 3.098 9.133 ( 0.000 -13.534 0.000) 13.534 9.133 ( 0.000 13.535 0.000) 13.535 10.602 ( -0.000 -2.014 0.000) 2.014 10.602 ( 0.000 2.014 0.000) 2.014 10.953 ( 0.000 -1.151 0.000) 1.151 10.953 ( 0.000 1.151 0.000) 1.151 12.349 ( 0.000 -0.971 0.000) 0.971 12.349 ( 0.000 0.971 0.000) 0.971 12.396 ( 0.000 -0.544 0.000) 0.544 12.396 ( 0.000 0.544 0.000) 0.544 12.765 ( 0.000 -1.686 0.000) 1.686 12.765 ( 0.000 1.686 0.000) 1.686 13.198 ( 0.000 -3.481 0.000) 3.481 13.198 ( 0.000 3.481 0.000) 3.481 13.331 ( 0.000 -0.292 0.000) 0.292 13.331 ( 0.000 0.292 0.000) 0.292 13.411 ( 0.000 -2.506 0.000) 2.506 13.411 ( 0.000 2.506 0.000) 2.506 13.513 ( 0.000 -2.168 0.000) 2.168 13.513 ( 0.000 2.168 0.000) 2.168 13.612 ( 0.000 -2.528 0.000) 2.528 13.612 ( 0.000 2.528 0.000) 2.528 13.939 ( 0.000 -1.506 0.000) 1.506 13.939 ( 0.000 1.506 0.000) 1.506 14.134 ( 0.000 -1.519 0.000) 1.519 14.134 ( 0.000 1.519 0.000) 1.519 14.195 ( 0.000 -0.239 0.000) 0.239 14.195 ( 0.000 0.239 0.000) 0.239 14.442 ( 0.000 -2.606 0.000) 2.606 14.442 ( 0.000 2.607 0.000) 2.607 14.466 ( 0.000 -0.132 0.000) 0.132 14.466 ( 0.000 0.132 0.000) 0.132 14.501 ( 0.000 -2.469 0.000) 2.469 14.501 ( 0.000 2.469 0.000) 2.469 15.063 ( 0.000 -3.809 0.000) 3.809 15.063 ( 0.000 3.809 0.000) 3.809 15.143 ( 0.000 -3.698 0.000) 3.698 15.143 ( 0.000 3.699 0.000) 3.699 15.322 ( 0.000 -3.554 0.000) 3.554 15.322 ( 0.000 3.554 0.000) 3.554 15.832 ( 0.000 -9.176 0.000) 9.176 15.832 ( 0.000 9.176 0.000) 9.176 15.999 ( 0.000 -8.939 0.000) 8.939 15.999 ( 0.000 8.939 0.000) 8.939 16.350 ( 0.000 -3.885 0.000) 3.885 16.350 ( 0.000 3.885 0.000) 3.885 17.305 ( 0.000 -2.759 0.000) 2.759 17.305 ( 0.000 2.759 0.000) 2.759 17.495 ( 0.000 -5.331 0.000) 5.331 17.495 ( 0.000 5.332 0.000) 5.332 18.128 ( 0.000 -8.764 0.000) 8.764 18.128 ( 0.000 8.764 0.000) 8.764 18.558 ( -0.000 -4.137 0.000) 4.137 18.558 ( -0.000 4.137 0.000) 4.137 ======================= Grid point 55 (19/90) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( 0.000 0.000 24.657) 24.657 0.916 ( 0.000 0.000 48.609) 48.609 1.550 ( 0.000 0.000 79.803) 79.803 2.164 ( 0.000 0.000 61.080) 61.080 2.201 ( 0.000 0.000 23.739) 23.739 4.068 ( 0.000 0.000 -11.987) 11.987 4.430 ( 0.000 0.000 14.465) 14.465 4.800 ( 0.000 0.000 6.724) 6.724 5.055 ( 0.000 0.000 1.701) 1.701 5.392 ( 0.000 0.000 -18.085) 18.085 5.878 ( 0.000 0.000 -28.037) 28.037 6.037 ( 0.000 0.000 8.665) 8.665 6.066 ( 0.000 0.000 -7.136) 7.136 6.270 ( 0.000 0.000 -6.333) 6.333 6.573 ( 0.000 0.000 -3.831) 3.831 7.050 ( 0.000 0.000 18.254) 18.254 7.308 ( 0.000 0.000 2.136) 2.136 7.339 ( 0.000 0.000 -1.982) 1.982 7.363 ( 0.000 0.000 -21.356) 21.356 7.382 ( 0.000 0.000 -1.302) 1.302 7.426 ( 0.000 0.000 13.129) 13.129 7.572 ( 0.000 0.000 -15.866) 15.866 7.581 ( 0.000 0.000 -23.969) 23.969 7.749 ( 0.000 0.000 4.707) 4.707 7.988 ( 0.000 0.000 -0.992) 0.992 8.691 ( 0.000 0.000 0.673) 0.673 8.773 ( 0.000 0.000 29.149) 29.149 8.828 ( 0.000 0.000 25.504) 25.504 9.300 ( 0.000 0.000 -4.457) 4.457 9.647 ( 0.000 0.000 -15.199) 15.199 9.677 ( 0.000 0.000 -19.760) 19.760 9.702 ( 0.000 0.000 -26.346) 26.346 10.269 ( 0.000 0.000 -2.398) 2.398 10.324 ( 0.000 0.000 -6.241) 6.241 10.725 ( 0.000 0.000 -6.367) 6.367 10.782 ( 0.000 0.000 -3.618) 3.618 12.436 ( 0.000 0.000 6.411) 6.411 12.483 ( 0.000 0.000 0.527) 0.527 12.534 ( 0.000 0.000 8.508) 8.508 12.626 ( 0.000 0.000 -0.033) 0.033 12.656 ( 0.000 0.000 -1.217) 1.217 12.746 ( 0.000 0.000 -0.048) 0.048 12.898 ( 0.000 0.000 2.840) 2.840 13.018 ( 0.000 0.000 2.986) 2.986 13.440 ( 0.000 0.000 -0.127) 0.127 13.441 ( 0.000 0.000 -0.579) 0.579 13.591 ( 0.000 0.000 0.481) 0.481 13.591 ( 0.000 0.000 1.913) 1.913 13.603 ( 0.000 0.000 2.903) 2.903 13.675 ( 0.000 0.000 -8.130) 8.130 13.691 ( 0.000 0.000 0.979) 0.979 13.823 ( 0.000 0.000 -0.801) 0.801 13.837 ( 0.000 0.000 2.414) 2.414 13.888 ( 0.000 0.000 3.610) 3.610 13.952 ( 0.000 0.000 -0.232) 0.232 13.983 ( 0.000 0.000 -2.972) 2.972 14.087 ( 0.000 0.000 -2.500) 2.500 14.177 ( 0.000 0.000 0.691) 0.691 14.222 ( 0.000 0.000 4.869) 4.869 14.235 ( 0.000 0.000 11.755) 11.755 14.452 ( 0.000 0.000 -1.300) 1.300 14.537 ( 0.000 0.000 1.072) 1.072 14.552 ( 0.000 0.000 -13.342) 13.342 14.660 ( 0.000 0.000 -0.973) 0.973 14.674 ( 0.000 0.000 -3.282) 3.282 14.707 ( 0.000 0.000 0.008) 0.008 14.824 ( 0.000 0.000 -1.571) 1.571 14.993 ( 0.000 0.000 4.191) 4.191 15.127 ( 0.000 0.000 2.572) 2.572 15.196 ( 0.000 0.000 5.421) 5.421 15.423 ( 0.000 0.000 -3.934) 3.934 15.575 ( 0.000 0.000 -4.110) 4.110 15.671 ( 0.000 0.000 -3.495) 3.495 15.746 ( 0.000 0.000 0.668) 0.668 16.047 ( 0.000 0.000 7.802) 7.802 16.177 ( 0.000 0.000 -6.685) 6.685 16.525 ( 0.000 0.000 -4.635) 4.635 16.792 ( 0.000 0.000 -0.837) 0.837 16.896 ( 0.000 0.000 20.740) 20.740 17.720 ( 0.000 0.000 6.806) 6.806 18.871 ( 0.000 0.000 -8.614) 8.614 19.168 ( 0.000 0.000 -6.847) 6.847 19.335 ( 0.000 0.000 -35.018) 35.018 20.642 ( 0.000 0.000 -19.432) 19.432 ======================= Grid point 56 (20/90) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 26.910 0.000 17.657) 32.186 1.324 ( 34.617 0.000 32.682) 47.607 2.137 ( 31.474 0.000 39.867) 50.794 2.281 ( 43.082 0.000 49.710) 65.781 2.876 ( 48.857 0.000 35.565) 60.431 4.000 ( -6.845 0.000 -10.413) 12.461 4.369 ( -3.519 0.000 10.385) 10.965 4.664 ( -5.222 0.000 12.028) 13.113 5.228 ( 15.134 0.000 4.306) 15.735 5.483 ( 6.265 0.000 -19.635) 20.610 5.926 ( 4.339 0.000 -23.455) 23.853 5.976 ( -9.116 0.000 -6.492) 11.191 6.122 ( 6.153 0.000 4.236) 7.470 6.260 ( -0.536 0.000 -7.792) 7.810 6.555 ( -1.798 0.000 -3.290) 3.749 7.066 ( 0.472 0.000 16.945) 16.951 7.100 ( -20.637 0.000 -2.338) 20.769 7.227 ( -9.089 0.000 10.646) 13.998 7.330 ( -4.660 0.000 5.004) 6.838 7.345 ( -8.672 0.000 -15.033) 17.355 7.369 ( -0.066 0.000 -1.080) 1.082 7.415 ( -9.260 0.000 -31.161) 32.508 7.659 ( 1.335 0.000 -10.683) 10.766 7.733 ( -1.789 0.000 3.716) 4.124 7.966 ( -1.104 0.000 0.522) 1.221 8.610 ( -14.632 0.000 25.357) 29.275 8.652 ( -4.259 0.000 0.195) 4.264 8.702 ( -12.323 0.000 23.347) 26.400 9.249 ( -5.106 0.000 -3.467) 6.172 9.506 ( -16.445 0.000 -19.969) 25.869 9.740 ( 8.632 0.000 -15.170) 17.454 9.774 ( 9.238 0.000 -19.936) 21.972 10.345 ( 7.031 0.000 -2.060) 7.326 10.398 ( 6.866 0.000 -5.135) 8.574 10.606 ( -11.761 0.000 -5.111) 12.824 10.655 ( -12.917 0.000 -3.101) 13.284 12.394 ( -1.861 0.000 1.866) 2.636 12.476 ( -2.709 0.000 3.170) 4.170 12.585 ( 7.591 0.000 4.557) 8.854 12.636 ( -2.157 0.000 -1.235) 2.485 12.723 ( -2.415 0.000 -0.197) 2.423 12.763 ( 9.621 0.000 3.375) 10.195 12.890 ( -0.528 0.000 3.081) 3.126 13.003 ( -1.296 0.000 3.053) 3.317 13.429 ( 0.347 0.000 -0.142) 0.375 13.475 ( 1.021 0.000 -0.349) 1.078 13.538 ( -1.410 0.000 3.470) 3.745 13.556 ( -3.120 0.000 1.902) 3.654 13.582 ( -3.665 0.000 -5.662) 6.744 13.642 ( -3.441 0.000 2.135) 4.049 13.743 ( 1.737 0.000 -6.912) 7.127 13.884 ( 6.829 0.000 -1.324) 6.956 13.900 ( -4.101 0.000 1.733) 4.452 13.928 ( -0.570 0.000 -1.551) 1.652 13.942 ( 7.525 0.000 1.744) 7.724 14.002 ( -2.884 0.000 0.970) 3.043 14.023 ( 6.450 0.000 -0.621) 6.480 14.239 ( 0.552 0.000 9.962) 9.977 14.266 ( 7.346 0.000 0.756) 7.385 14.370 ( 4.694 0.000 -2.063) 5.128 14.460 ( 0.731 0.000 0.272) 0.780 14.468 ( -1.704 0.000 5.165) 5.439 14.489 ( -4.606 0.000 -0.547) 4.638 14.585 ( -2.563 0.000 -2.258) 3.416 14.695 ( -0.098 0.000 -0.639) 0.647 14.795 ( 6.913 0.000 -2.822) 7.467 14.806 ( 7.030 0.000 -0.476) 7.046 14.964 ( -4.119 0.000 3.873) 5.654 15.151 ( 2.761 0.000 0.996) 2.935 15.152 ( 2.496 0.000 1.882) 3.126 15.519 ( 1.701 0.000 1.023) 1.985 15.577 ( 1.519 0.000 -3.460) 3.778 15.770 ( 4.536 0.000 -0.771) 4.601 15.816 ( 11.617 0.000 -2.574) 11.899 16.058 ( -0.807 0.000 3.415) 3.509 16.107 ( -4.183 0.000 -4.059) 5.829 16.547 ( 1.543 0.000 -0.789) 1.733 16.836 ( 4.342 0.000 -0.865) 4.428 17.079 ( 10.443 0.000 6.969) 12.555 17.734 ( 1.346 0.000 6.309) 6.451 18.787 ( -8.393 0.000 -8.462) 11.919 18.967 ( -25.134 0.000 -21.548) 33.106 19.156 ( -10.195 0.000 -13.917) 17.252 20.446 ( -18.285 0.000 -16.380) 24.549 ======================= Grid point 57 (21/90) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 38.505 0.000 13.787) 40.899 2.092 ( 40.840 0.000 20.127) 45.530 2.729 ( 35.113 0.000 23.695) 42.360 3.495 ( 65.900 0.000 31.159) 72.895 3.838 ( -7.890 0.000 -4.459) 9.063 3.978 ( 60.028 0.000 25.386) 65.176 4.350 ( 1.603 0.000 2.476) 2.949 4.634 ( 1.206 0.000 8.550) 8.634 5.565 ( 16.395 0.000 3.809) 16.831 5.631 ( 8.949 0.000 -16.738) 18.981 5.707 ( -17.286 0.000 -2.719) 17.499 6.010 ( 3.205 0.000 -11.773) 12.202 6.226 ( 2.266 0.000 7.436) 7.774 6.309 ( 8.389 0.000 -23.172) 24.644 6.497 ( -5.296 0.000 -2.281) 5.767 6.592 ( -28.305 0.000 1.508) 28.345 6.922 ( -16.569 0.000 11.186) 19.991 6.974 ( -16.622 0.000 11.405) 20.159 7.110 ( -12.622 0.000 -12.908) 18.053 7.231 ( -9.079 0.000 -30.021) 31.364 7.276 ( 3.051 0.000 15.143) 15.447 7.425 ( 3.654 0.000 -6.892) 7.800 7.594 ( -7.667 0.000 -5.557) 9.469 7.673 ( -4.373 0.000 0.729) 4.434 7.994 ( 3.519 0.000 1.932) 4.015 8.260 ( -19.085 0.000 19.390) 27.207 8.394 ( -17.503 0.000 15.790) 23.573 8.521 ( -8.129 0.000 -0.311) 8.135 9.107 ( -8.909 0.000 -2.461) 9.242 9.205 ( -12.115 0.000 -9.669) 15.500 9.956 ( 12.405 0.000 -14.672) 19.213 10.006 ( 13.289 0.000 -18.654) 22.903 10.270 ( -24.056 0.000 -2.324) 24.168 10.282 ( -22.239 0.000 -1.959) 22.325 10.513 ( 9.137 0.000 -2.518) 9.477 10.561 ( 8.828 0.000 -4.791) 10.044 12.371 ( -0.659 0.000 -0.123) 0.671 12.438 ( -1.289 0.000 0.678) 1.456 12.569 ( -4.601 0.000 -1.170) 4.748 12.648 ( -5.090 0.000 -0.622) 5.128 12.760 ( 9.645 0.000 5.551) 11.128 12.844 ( -1.309 0.000 1.929) 2.331 12.937 ( 0.226 0.000 1.690) 1.705 13.021 ( 7.515 0.000 5.648) 9.401 13.419 ( -2.018 0.000 -0.821) 2.179 13.483 ( 0.021 0.000 0.515) 0.516 13.487 ( -3.435 0.000 2.084) 4.017 13.511 ( -1.430 0.000 -1.019) 1.756 13.536 ( -0.484 0.000 0.251) 0.545 13.583 ( -2.504 0.000 2.221) 3.347 13.661 ( -7.158 0.000 -1.913) 7.409 13.811 ( -5.113 0.000 -1.539) 5.340 13.912 ( 0.531 0.000 1.391) 1.489 14.023 ( 2.155 0.000 -0.122) 2.158 14.036 ( 7.024 0.000 -1.079) 7.107 14.093 ( 7.270 0.000 0.970) 7.335 14.170 ( 7.751 0.000 -1.390) 7.875 14.252 ( 0.321 0.000 5.810) 5.819 14.287 ( -3.676 0.000 7.289) 8.164 14.355 ( -0.249 0.000 0.725) 0.766 14.443 ( -2.501 0.000 -1.814) 3.090 14.491 ( 2.190 0.000 1.238) 2.515 14.600 ( 3.764 0.000 1.047) 3.907 14.614 ( 7.871 0.000 -1.540) 8.021 14.706 ( 2.484 0.000 -3.488) 4.282 14.855 ( -3.966 0.000 3.405) 5.227 14.955 ( 8.999 0.000 -4.223) 9.941 14.993 ( 8.614 0.000 -2.085) 8.863 15.225 ( 4.816 0.000 0.652) 4.860 15.242 ( 4.817 0.000 0.434) 4.837 15.504 ( -2.433 0.000 0.688) 2.529 15.654 ( 6.617 0.000 -3.303) 7.396 15.867 ( 5.739 0.000 2.230) 6.157 15.917 ( -8.839 0.000 -6.437) 10.935 16.139 ( 3.093 0.000 4.971) 5.855 16.172 ( 23.309 0.000 -5.451) 23.938 16.536 ( -2.883 0.000 3.655) 4.655 16.953 ( 7.143 0.000 -0.962) 7.207 17.276 ( 10.258 0.000 1.897) 10.432 17.773 ( 2.635 0.000 4.848) 5.518 18.337 ( -33.503 0.000 -16.784) 37.471 18.548 ( -15.421 0.000 -8.039) 17.391 18.949 ( -11.413 0.000 -6.185) 12.982 20.001 ( -25.029 0.000 -11.354) 27.484 ======================= Grid point 58 (22/90) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 45.502 0.000 11.077) 46.831 2.879 ( 37.719 0.000 13.728) 40.139 3.481 ( 39.801 0.000 17.800) 43.600 3.740 ( -1.277 0.000 -0.343) 1.322 4.411 ( 3.972 0.000 -2.619) 4.757 4.636 ( 19.115 0.000 5.690) 19.944 4.772 ( 39.605 0.000 16.001) 42.716 5.164 ( 57.616 0.000 16.208) 59.853 5.268 ( -24.601 0.000 -0.848) 24.616 5.713 ( -18.904 0.000 5.222) 19.612 5.832 ( 10.578 0.000 -10.286) 14.754 6.056 ( 2.516 0.000 -5.807) 6.329 6.081 ( -6.128 0.000 -2.495) 6.617 6.260 ( 1.340 0.000 5.827) 5.979 6.444 ( -1.388 0.000 1.302) 1.903 6.492 ( -3.742 0.000 -8.302) 9.107 6.529 ( -17.207 0.000 3.741) 17.609 6.622 ( -7.280 0.000 -2.354) 7.652 6.911 ( -6.760 0.000 -6.356) 9.279 7.081 ( -5.496 0.000 -22.337) 23.003 7.376 ( 5.709 0.000 12.459) 13.704 7.394 ( -11.624 0.000 -0.263) 11.627 7.498 ( 3.674 0.000 -3.101) 4.808 7.561 ( -6.736 0.000 -4.115) 7.894 7.831 ( -18.947 0.000 12.159) 22.513 8.058 ( -15.600 0.000 6.325) 16.833 8.141 ( 6.213 0.000 1.449) 6.379 8.384 ( -5.265 0.000 0.413) 5.281 8.916 ( -9.964 0.000 -2.079) 10.179 8.995 ( -11.645 0.000 -4.128) 12.355 9.658 ( -36.536 0.000 0.698) 36.542 9.832 ( -22.229 0.000 -0.553) 22.235 10.201 ( 11.717 0.000 -12.478) 17.117 10.268 ( 12.614 0.000 -15.875) 20.277 10.679 ( 7.178 0.000 -4.675) 8.566 10.724 ( 7.280 0.000 -6.797) 9.960 12.364 ( -0.073 0.000 -0.950) 0.953 12.419 ( -0.715 0.000 -0.198) 0.742 12.464 ( -5.610 0.000 -0.711) 5.654 12.532 ( -6.169 0.000 -0.492) 6.188 12.802 ( -2.192 0.000 2.139) 3.063 12.898 ( -2.430 0.000 2.077) 3.197 12.955 ( 9.120 0.000 5.648) 10.727 13.188 ( 7.333 0.000 3.819) 8.268 13.361 ( -3.135 0.000 -0.819) 3.240 13.430 ( -2.227 0.000 2.467) 3.324 13.469 ( -3.627 0.000 -1.010) 3.765 13.488 ( -1.532 0.000 1.998) 2.518 13.516 ( 0.143 0.000 0.410) 0.434 13.542 ( -1.629 0.000 1.981) 2.565 13.575 ( -0.325 0.000 2.052) 2.078 13.728 ( -3.016 0.000 -0.606) 3.077 13.922 ( 0.506 0.000 3.814) 3.847 14.052 ( 0.647 0.000 0.606) 0.887 14.115 ( 1.476 0.000 0.912) 1.735 14.223 ( -1.605 0.000 2.729) 3.166 14.240 ( 7.060 0.000 -1.444) 7.206 14.279 ( 0.579 0.000 5.745) 5.774 14.303 ( 2.769 0.000 -1.541) 3.168 14.317 ( 0.202 0.000 0.107) 0.229 14.385 ( -2.803 0.000 1.274) 3.079 14.502 ( -0.812 0.000 1.392) 1.612 14.627 ( -0.771 0.000 2.267) 2.395 14.647 ( -4.452 0.000 -2.151) 4.944 14.851 ( 9.623 0.000 -4.080) 10.452 14.860 ( 4.677 0.000 1.773) 5.001 15.125 ( 7.675 0.000 -5.920) 9.693 15.156 ( 7.395 0.000 -0.499) 7.411 15.281 ( -1.724 0.000 -2.129) 2.739 15.335 ( 5.961 0.000 0.829) 6.018 15.435 ( -4.700 0.000 -1.594) 4.963 15.773 ( -4.344 0.000 -4.219) 6.055 15.851 ( 13.328 0.000 -4.336) 14.016 15.989 ( 6.308 0.000 4.671) 7.849 16.193 ( 2.323 0.000 3.208) 3.960 16.451 ( -5.033 0.000 4.925) 7.041 16.692 ( 27.582 0.000 -6.451) 28.326 17.100 ( 7.242 0.000 -1.132) 7.330 17.480 ( 9.142 0.000 -1.814) 9.320 17.770 ( -21.523 0.000 -7.709) 22.862 17.843 ( 4.850 0.000 2.401) 5.412 18.197 ( -19.408 0.000 -7.442) 20.786 18.716 ( -11.755 0.000 -4.391) 12.549 19.495 ( -25.850 0.000 -8.399) 27.180 ======================= Grid point 59 (23/90) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 47.716 0.000 8.494) 48.466 3.524 ( 25.576 0.000 8.802) 27.048 3.792 ( 5.920 0.000 1.105) 6.022 4.262 ( 38.337 0.000 14.887) 41.125 4.483 ( 2.454 0.000 -5.167) 5.720 4.763 ( 5.551 0.000 8.790) 10.396 4.783 ( -23.202 0.000 2.963) 23.390 5.018 ( -40.251 0.000 5.799) 40.666 5.473 ( 15.730 0.000 -5.616) 16.703 5.807 ( -20.104 0.000 11.792) 23.307 5.893 ( 3.468 0.000 -2.866) 4.499 6.071 ( -17.736 0.000 7.661) 19.320 6.114 ( 0.525 0.000 -12.181) 12.193 6.279 ( 7.973 0.000 -1.013) 8.037 6.352 ( 30.963 0.000 7.275) 31.806 6.506 ( 7.032 0.000 7.916) 10.589 6.638 ( 26.955 0.000 -1.930) 27.024 6.832 ( -2.484 0.000 4.543) 5.178 6.878 ( 23.126 0.000 -15.460) 27.818 7.028 ( 0.125 0.000 -11.932) 11.932 7.174 ( -9.304 0.000 -0.288) 9.309 7.418 ( -6.595 0.000 -8.439) 10.711 7.488 ( 5.707 0.000 8.784) 10.476 7.490 ( -14.370 0.000 3.477) 14.784 7.579 ( 5.280 0.000 1.118) 5.397 7.803 ( -9.620 0.000 -1.063) 9.678 8.250 ( -12.942 0.000 0.655) 12.959 8.277 ( 6.784 0.000 0.452) 6.799 8.668 ( -21.079 0.000 1.152) 21.111 8.730 ( -8.416 0.000 -1.994) 8.649 8.863 ( -40.443 0.000 3.449) 40.590 9.509 ( -9.198 0.000 -1.168) 9.272 10.394 ( 7.220 0.000 -9.676) 12.073 10.479 ( 8.152 0.000 -12.026) 14.529 10.783 ( 3.213 0.000 -8.435) 9.026 10.837 ( 3.976 0.000 -9.514) 10.312 12.365 ( 0.125 0.000 -1.223) 1.229 12.367 ( -3.807 0.000 -0.006) 3.808 12.408 ( -0.387 0.000 -0.430) 0.578 12.425 ( -4.184 0.000 0.155) 4.187 12.763 ( -1.591 0.000 2.447) 2.918 12.854 ( -1.737 0.000 2.458) 3.010 13.107 ( 5.754 0.000 5.087) 7.680 13.291 ( 2.950 0.000 1.982) 3.554 13.313 ( -1.521 0.000 -0.816) 1.726 13.374 ( -4.028 0.000 -1.032) 4.159 13.405 ( -0.252 0.000 3.622) 3.631 13.479 ( -0.127 0.000 5.357) 5.358 13.517 ( -0.892 0.000 1.646) 1.872 13.539 ( 1.530 0.000 1.230) 1.963 13.582 ( 0.221 0.000 1.877) 1.890 13.687 ( -1.283 0.000 -0.206) 1.299 13.939 ( 1.220 0.000 5.680) 5.809 14.047 ( -1.051 0.000 2.612) 2.816 14.127 ( 0.166 0.000 1.577) 1.586 14.198 ( -0.992 0.000 -0.300) 1.037 14.262 ( -1.872 0.000 1.366) 2.317 14.281 ( -0.364 0.000 4.015) 4.031 14.348 ( 3.174 0.000 -3.285) 4.568 14.353 ( -0.448 0.000 3.267) 3.297 14.385 ( 1.982 0.000 -3.318) 3.865 14.488 ( 0.108 0.000 2.649) 2.651 14.540 ( -4.947 0.000 -0.307) 4.956 14.605 ( -1.039 0.000 2.239) 2.468 14.949 ( 3.403 0.000 -0.112) 3.405 15.002 ( 5.087 0.000 -4.493) 6.787 15.199 ( -5.083 0.000 -4.115) 6.540 15.244 ( 4.179 0.000 -7.388) 8.488 15.270 ( 3.475 0.000 0.541) 3.517 15.332 ( -4.106 0.000 -1.076) 4.245 15.438 ( 3.915 0.000 1.984) 4.389 15.752 ( 0.889 0.000 -1.702) 1.920 16.077 ( 4.819 0.000 4.979) 6.929 16.178 ( 15.366 0.000 -3.835) 15.837 16.233 ( 1.769 0.000 1.581) 2.373 16.358 ( -3.962 0.000 3.038) 4.993 17.168 ( 17.838 0.000 -5.261) 18.598 17.221 ( 4.752 0.000 -1.474) 4.975 17.399 ( -9.831 0.000 -4.179) 10.683 17.721 ( 8.052 0.000 -1.985) 8.294 17.794 ( -17.017 0.000 -6.376) 18.173 18.027 ( 12.252 0.000 -1.822) 12.387 18.504 ( -9.042 0.000 -3.497) 9.694 18.985 ( -25.491 0.000 -7.221) 26.495 ======================= Grid point 60 (24/90) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.795 ( 0.000 0.000 5.606) 5.606 3.883 ( -0.000 0.000 0.654) 0.654 4.013 ( -0.000 0.000 4.421) 4.421 4.139 ( 0.000 0.000 8.005) 8.005 4.536 ( 0.000 0.000 -3.598) 3.598 4.570 ( -0.000 0.000 3.873) 3.873 4.831 ( 0.000 0.000 14.446) 14.446 4.838 ( -0.000 0.000 13.164) 13.164 5.292 ( -0.000 0.000 6.981) 6.981 5.702 ( 0.000 0.000 -7.815) 7.815 5.816 ( 0.000 0.000 5.231) 5.231 5.925 ( 0.000 0.000 -0.783) 0.783 6.110 ( 0.000 0.000 -13.776) 13.776 6.305 ( 0.000 0.000 -3.407) 3.407 6.615 ( 0.000 0.000 9.757) 9.757 6.754 ( 0.000 0.000 -5.861) 5.861 6.783 ( -0.000 0.000 8.915) 8.915 7.025 ( -0.000 0.000 -5.199) 5.199 7.057 ( 0.000 0.000 -1.980) 1.980 7.072 ( -0.000 0.000 -3.174) 3.174 7.301 ( 0.000 0.000 -5.644) 5.644 7.325 ( 0.000 0.000 -4.507) 4.507 7.326 ( -0.000 0.000 -6.715) 6.715 7.702 ( -0.000 0.000 -3.943) 3.943 7.771 ( -0.000 0.000 6.096) 6.096 7.817 ( 0.000 0.000 1.581) 1.581 7.878 ( 0.000 0.000 8.169) 8.169 7.951 ( -0.000 0.000 6.739) 6.739 8.364 ( 0.000 0.000 0.550) 0.550 8.568 ( -0.000 0.000 1.825) 1.825 8.627 ( 0.000 0.000 -2.243) 2.243 9.430 ( 0.000 0.000 -1.989) 1.989 10.468 ( -0.000 0.000 -8.261) 8.261 10.565 ( 0.000 0.000 -9.498) 9.498 10.812 ( 0.000 0.000 -11.066) 11.066 10.877 ( 0.000 0.000 -10.849) 10.849 12.327 ( 0.000 0.000 0.329) 0.329 12.367 ( 0.000 0.000 -1.283) 1.283 12.382 ( 0.000 0.000 0.512) 0.512 12.404 ( 0.000 0.000 -0.459) 0.459 12.746 ( 0.000 0.000 2.577) 2.577 12.836 ( 0.000 0.000 2.596) 2.596 13.166 ( 0.000 0.000 4.835) 4.835 13.301 ( 0.000 0.000 -1.063) 1.063 13.315 ( 0.000 0.000 0.969) 0.969 13.330 ( 0.000 0.000 -0.597) 0.597 13.408 ( 0.000 0.000 4.563) 4.563 13.478 ( 0.000 0.000 6.586) 6.586 13.508 ( 0.000 0.000 1.392) 1.392 13.561 ( 0.000 0.000 2.455) 2.455 13.579 ( 0.000 0.000 0.895) 0.895 13.675 ( 0.000 0.000 -0.224) 0.224 13.958 ( -0.000 0.000 5.846) 5.846 14.029 ( 0.000 0.000 4.194) 4.194 14.128 ( 0.000 0.000 1.710) 1.710 14.188 ( 0.000 0.000 -1.525) 1.525 14.242 ( 0.000 0.000 1.503) 1.503 14.275 ( 0.000 0.000 2.817) 2.817 14.352 ( -0.000 0.000 3.382) 3.382 14.369 ( 0.000 0.000 -3.449) 3.449 14.405 ( -0.000 0.000 -3.393) 3.393 14.486 ( 0.000 0.000 1.034) 1.034 14.497 ( 0.000 0.000 2.418) 2.418 14.594 ( 0.000 0.000 2.393) 2.393 14.983 ( 0.000 0.000 -0.522) 0.522 15.051 ( 0.000 0.000 -4.805) 4.805 15.139 ( 0.000 0.000 -4.293) 4.293 15.269 ( 0.000 0.000 -2.867) 2.867 15.286 ( 0.000 0.000 -7.970) 7.970 15.324 ( 0.000 0.000 3.658) 3.658 15.478 ( 0.000 0.000 2.410) 2.410 15.766 ( 0.000 0.000 -1.063) 1.063 16.122 ( 0.000 0.000 7.116) 7.116 16.258 ( -0.000 0.000 0.800) 0.800 16.311 ( 0.000 0.000 1.745) 1.745 16.372 ( 0.000 0.000 -5.689) 5.689 17.268 ( 0.000 0.000 -1.353) 1.353 17.301 ( 0.000 0.000 -2.772) 2.772 17.345 ( -0.000 0.000 -3.984) 3.984 17.586 ( 0.000 0.000 -6.260) 6.260 17.817 ( 0.000 0.000 -2.432) 2.432 18.296 ( -0.000 0.000 -4.276) 4.276 18.402 ( -0.000 0.000 -3.183) 3.183 18.597 ( 0.000 0.000 -6.761) 6.761 ======================= Grid point 66 (25/90) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.000 19.313 39.133) 43.640 1.398 ( 0.000 41.421 24.658) 48.205 1.748 ( 0.000 30.150 52.586) 60.617 2.045 ( 0.000 -13.320 26.936) 30.049 2.064 ( 0.000 -8.775 61.725) 62.346 3.784 ( 0.000 -30.137 -8.299) 31.259 4.408 ( 0.000 1.993 14.187) 14.326 4.667 ( 0.000 -8.113 13.757) 15.971 5.136 ( 0.000 6.585 0.252) 6.589 5.373 ( 0.000 -2.225 -15.218) 15.380 5.880 ( 0.000 0.356 -24.914) 24.916 5.962 ( 0.000 -4.007 -1.875) 4.423 6.120 ( 0.000 2.770 -0.449) 2.807 6.240 ( 0.000 -2.372 -4.554) 5.135 6.599 ( 0.000 3.708 -1.152) 3.883 7.051 ( 0.000 -15.213 -4.204) 15.783 7.136 ( 0.000 6.901 11.723) 13.603 7.320 ( 0.000 -0.701 9.763) 9.788 7.394 ( 0.000 1.041 -16.423) 16.456 7.438 ( 0.000 -0.880 -12.004) 12.036 7.440 ( 0.000 1.874 5.229) 5.554 7.600 ( 0.000 -1.552 -14.593) 14.675 7.603 ( 0.000 2.483 -13.163) 13.395 7.715 ( 0.000 -2.275 -0.833) 2.422 8.116 ( 0.000 11.205 0.763) 11.231 8.605 ( 0.000 -7.764 0.973) 7.824 8.791 ( 0.000 0.692 28.343) 28.352 8.818 ( 0.000 -0.734 26.154) 26.165 9.650 ( 0.000 0.468 -16.550) 16.557 9.659 ( 0.000 1.628 -22.799) 22.857 9.853 ( 0.000 25.377 -48.045) 54.335 9.857 ( 0.000 11.940 -31.070) 33.285 10.277 ( 0.000 0.792 -3.229) 3.325 10.316 ( 0.000 -0.718 -5.786) 5.830 10.741 ( 0.000 1.336 -6.784) 6.914 10.775 ( 0.000 -0.446 -4.210) 4.234 12.456 ( 0.000 1.635 6.606) 6.805 12.502 ( 0.000 1.265 1.753) 2.162 12.527 ( 0.000 -0.268 6.946) 6.951 12.608 ( 0.000 -1.668 -0.106) 1.672 12.665 ( 0.000 0.829 -0.984) 1.287 12.725 ( 0.000 -1.627 -0.066) 1.628 12.921 ( 0.000 1.900 2.606) 3.225 13.003 ( 0.000 -1.343 2.824) 3.127 13.430 ( 0.000 -0.706 -0.736) 1.019 13.434 ( 0.000 -0.521 -0.508) 0.728 13.582 ( 0.000 -0.338 1.649) 1.683 13.595 ( 0.000 -0.383 2.719) 2.746 13.607 ( 0.000 1.113 2.034) 2.318 13.666 ( 0.000 -0.809 -0.381) 0.894 13.719 ( 0.000 2.548 -4.367) 5.056 13.833 ( 0.000 -0.505 1.117) 1.226 13.875 ( 0.000 -1.117 2.428) 2.673 13.904 ( 0.000 6.404 -1.971) 6.701 13.913 ( 0.000 -2.250 -0.644) 2.340 14.020 ( 0.000 2.222 -2.370) 3.249 14.085 ( 0.000 -0.414 -2.876) 2.906 14.137 ( 0.000 -2.939 0.870) 3.066 14.240 ( 0.000 1.701 2.176) 2.762 14.307 ( 0.000 6.010 15.388) 16.520 14.426 ( 0.000 -5.441 -8.041) 9.709 14.490 ( 0.000 0.010 -2.462) 2.462 14.551 ( 0.000 0.891 1.173) 1.473 14.618 ( 0.000 -3.663 2.330) 4.341 14.706 ( 0.000 0.023 -0.419) 0.420 14.707 ( 0.000 1.371 -3.220) 3.499 14.779 ( 0.000 -3.318 0.803) 3.414 14.988 ( 0.000 -10.681 13.471) 17.192 15.057 ( 0.000 -10.371 14.914) 18.166 15.122 ( 0.000 -1.406 4.336) 4.559 15.290 ( 0.000 8.319 0.164) 8.320 15.585 ( 0.000 0.665 -4.371) 4.422 15.646 ( 0.000 -1.852 -3.742) 4.175 15.665 ( 0.000 -6.736 -1.000) 6.810 16.106 ( 0.000 5.362 9.156) 10.611 16.231 ( 0.000 4.171 -5.075) 6.569 16.482 ( 0.000 -3.262 -5.633) 6.509 16.542 ( 0.000 -12.083 7.886) 14.429 17.174 ( 0.000 14.787 10.370) 18.061 17.654 ( 0.000 -6.368 7.097) 9.535 19.042 ( 0.000 6.009 -26.870) 27.534 19.288 ( 0.000 -4.276 -33.263) 33.537 19.769 ( 0.000 40.776 -41.997) 58.536 20.593 ( 0.000 -5.162 -25.097) 25.622 ======================= Grid point 67 (26/90) ======================= q-point: ( 0.10 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 25.254 20.631 26.132) 41.788 1.547 ( 15.531 42.414 15.216) 47.662 2.055 ( 19.913 -9.201 33.222) 39.810 2.396 ( 52.774 14.238 48.514) 73.085 2.729 ( 45.936 -13.019 35.719) 59.627 3.749 ( -1.502 -25.376 -4.445) 25.806 4.391 ( -0.762 3.303 9.910) 10.474 4.610 ( -2.713 -4.527 11.683) 12.820 5.272 ( 12.269 4.449 1.190) 13.104 5.466 ( 7.426 -1.843 -16.245) 17.956 5.911 ( 1.535 -1.055 -21.041) 21.123 5.946 ( -4.300 -2.409 -5.679) 7.520 6.118 ( 2.030 0.371 2.660) 3.367 6.222 ( -1.396 -3.081 -5.636) 6.573 6.613 ( 1.213 5.684 -2.453) 6.309 7.030 ( -5.559 -8.787 -2.438) 10.680 7.119 ( -2.838 3.999 11.138) 12.170 7.228 ( -9.330 -0.150 10.219) 13.839 7.256 ( -9.047 -1.752 -9.038) 12.908 7.331 ( -10.660 -2.287 -11.052) 15.524 7.377 ( -5.168 2.776 6.064) 8.438 7.453 ( -8.878 2.920 -25.877) 27.513 7.637 ( -0.921 -3.212 -4.802) 5.850 7.686 ( -3.572 -3.544 -3.751) 6.276 8.125 ( 1.217 12.259 1.036) 12.363 8.579 ( -3.884 -5.992 3.701) 8.043 8.632 ( -13.816 0.928 22.523) 26.439 8.688 ( -12.026 -1.349 22.967) 25.960 9.500 ( -20.423 15.876 -20.140) 32.783 9.601 ( -19.872 7.016 -22.766) 31.022 9.752 ( 7.884 1.115 -15.624) 17.536 9.776 ( 8.280 0.269 -18.956) 20.687 10.352 ( 6.793 0.644 -2.556) 7.287 10.389 ( 6.673 -0.791 -4.700) 8.200 10.618 ( -12.025 0.934 -5.113) 13.101 10.648 ( -12.633 -0.500 -3.391) 13.090 12.407 ( -2.072 1.121 2.050) 3.123 12.464 ( -2.653 -1.022 2.980) 4.119 12.616 ( 7.820 2.663 4.347) 9.334 12.645 ( -2.133 0.823 -1.049) 2.516 12.703 ( -2.130 -1.515 -0.250) 2.625 12.742 ( 9.375 -1.997 3.677) 10.266 12.909 ( -1.114 1.650 2.708) 3.361 12.988 ( -1.415 -1.391 2.827) 3.454 13.434 ( 0.980 0.515 -0.565) 1.243 13.468 ( 1.438 -0.698 -0.903) 1.836 13.542 ( -1.505 0.335 3.176) 3.531 13.557 ( -2.824 -0.094 0.221) 2.834 13.583 ( -3.112 0.405 -0.654) 3.206 13.630 ( -3.531 -1.056 1.948) 4.168 13.757 ( 0.410 1.810 -7.010) 7.251 13.883 ( 0.685 -2.083 -2.474) 3.306 13.903 ( -0.667 0.250 1.114) 1.322 13.935 ( 3.744 2.106 -1.152) 4.448 13.955 ( 1.860 -0.081 -1.048) 2.136 14.013 ( 4.209 1.764 0.112) 4.565 14.040 ( 2.352 1.624 0.677) 2.937 14.208 ( 5.458 -2.761 2.623) 6.655 14.302 ( 0.269 2.852 8.108) 8.600 14.370 ( 3.429 0.036 -1.538) 3.759 14.445 ( -0.784 -2.575 -0.999) 2.871 14.470 ( -0.411 0.489 3.244) 3.306 14.486 ( 0.677 1.544 4.340) 4.656 14.602 ( -1.609 0.269 -0.970) 1.898 14.664 ( 2.856 -2.414 -0.076) 3.740 14.728 ( 3.570 -2.012 -0.397) 4.117 14.832 ( 5.948 0.240 0.823) 6.009 14.943 ( -4.052 -2.672 4.432) 6.573 15.142 ( 5.248 -0.138 1.931) 5.594 15.209 ( 5.226 1.280 -0.370) 5.393 15.438 ( 8.091 -1.929 4.583) 9.497 15.589 ( 1.513 1.216 -3.636) 4.121 15.696 ( 3.716 -6.055 -2.167) 7.428 15.731 ( 6.232 -5.587 -2.643) 8.777 16.141 ( 3.237 5.658 8.035) 10.346 16.207 ( -0.901 8.199 -6.353) 10.411 16.484 ( 0.565 -5.461 0.654) 5.529 16.657 ( 8.622 -11.608 -0.041) 14.460 17.238 ( 5.542 11.603 7.938) 15.111 17.670 ( 1.591 -6.053 6.513) 9.033 18.811 ( -19.367 3.043 -19.009) 27.307 18.981 ( -27.822 -2.470 -27.520) 39.211 19.531 ( -15.526 29.232 -16.161) 36.834 20.364 ( -20.162 -8.091 -18.564) 28.576 ======================= Grid point 68 (27/90) ======================= q-point: ( 0.20 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 24.681 37.581 8.960) 45.845 2.185 ( 39.129 8.626 20.492) 45.005 2.626 ( 35.328 -8.963 22.579) 42.875 3.425 ( 10.873 -27.918 5.131) 30.396 3.605 ( 64.576 9.941 29.660) 71.754 4.075 ( 46.860 -1.991 19.120) 50.649 4.405 ( 2.339 4.460 3.714) 6.257 4.602 ( 1.670 -3.047 7.939) 8.666 5.543 ( 11.714 -0.362 -1.237) 11.785 5.633 ( 8.742 -0.575 -13.688) 16.251 5.721 ( -14.179 1.558 -3.514) 14.690 5.927 ( -2.903 -6.658 -11.302) 13.434 6.195 ( 3.445 -1.918 7.365) 8.354 6.225 ( 3.510 -4.192 -12.994) 14.097 6.632 ( -2.008 10.148 -6.044) 11.981 6.725 ( -17.816 9.204 -1.117) 20.085 6.925 ( -16.835 0.240 10.335) 19.756 6.967 ( -16.899 -0.539 10.992) 20.167 7.062 ( -13.904 -3.852 -10.087) 17.604 7.229 ( 2.640 -11.955 -7.402) 14.307 7.267 ( -8.895 3.229 -27.038) 28.646 7.335 ( 1.008 1.994 8.299) 8.594 7.549 ( -7.933 -3.748 -6.479) 10.907 7.612 ( -3.218 -4.570 1.974) 5.928 8.153 ( -1.364 9.980 3.651) 10.714 8.289 ( -15.504 3.205 16.929) 23.178 8.349 ( -18.031 -2.975 15.122) 23.720 8.526 ( -5.554 -1.363 1.300) 5.865 9.165 ( -13.547 4.543 -5.663) 15.370 9.234 ( -14.369 2.019 -9.867) 17.547 9.964 ( 12.255 0.734 -15.260) 19.586 9.999 ( 12.689 -0.600 -18.017) 22.045 10.266 ( -23.667 -0.250 -2.082) 23.760 10.274 ( -21.968 -0.622 -1.783) 22.049 10.524 ( 8.687 0.940 -3.042) 9.252 10.557 ( 8.571 -0.363 -4.574) 9.722 12.380 ( -0.766 0.888 -0.024) 1.173 12.428 ( -1.213 -0.887 0.543) 1.598 12.578 ( -4.599 0.842 -1.059) 4.794 12.633 ( -4.877 -1.274 -0.637) 5.081 12.792 ( 9.385 2.768 5.165) 11.064 12.861 ( -0.874 1.423 1.906) 2.534 12.922 ( 0.977 -1.293 2.102) 2.654 12.985 ( 5.845 -3.020 5.431) 8.531 13.438 ( -1.490 1.422 -0.690) 2.172 13.483 ( 0.342 -0.174 -0.052) 0.388 13.499 ( -3.077 1.076 2.035) 3.843 13.510 ( -1.648 0.041 -0.296) 1.674 13.532 ( -1.339 -0.466 0.808) 1.632 13.568 ( -2.567 -1.314 2.172) 3.610 13.668 ( -6.478 1.358 -2.028) 6.923 13.794 ( -5.463 -1.989 -1.675) 6.050 13.921 ( 1.430 1.072 -0.101) 1.790 13.999 ( 2.265 -1.677 -1.054) 3.009 14.067 ( 7.067 2.253 -0.941) 7.477 14.125 ( 5.160 2.223 0.280) 5.626 14.157 ( 6.654 -0.695 -0.481) 6.707 14.263 ( 0.134 0.684 5.098) 5.146 14.297 ( -2.446 0.111 6.952) 7.370 14.318 ( -0.972 -2.669 1.836) 3.382 14.441 ( 0.459 0.930 -1.042) 1.470 14.545 ( -0.126 3.915 0.989) 4.040 14.558 ( 3.921 -2.682 0.551) 4.782 14.645 ( 5.918 1.409 -0.152) 6.086 14.708 ( 3.857 0.374 -3.047) 4.930 14.856 ( -1.042 -1.749 0.794) 2.186 14.874 ( 7.411 -3.589 -0.136) 8.235 14.956 ( 6.407 -2.569 -0.738) 6.942 15.263 ( 5.527 2.082 0.428) 5.922 15.318 ( 5.712 4.452 -2.828) 7.775 15.505 ( 0.020 1.714 1.106) 2.039 15.674 ( 7.009 1.659 -2.497) 7.624 15.774 ( 2.723 -6.898 -3.462) 8.184 15.838 ( 4.018 -5.283 -0.565) 6.661 16.187 ( 2.089 4.689 4.007) 6.512 16.326 ( 13.387 9.496 -3.381) 16.757 16.475 ( -1.062 -4.023 2.844) 5.040 16.841 ( 9.681 -9.641 -2.224) 13.843 17.369 ( 7.679 7.962 3.777) 11.688 17.716 ( 3.042 -5.299 4.808) 7.775 18.337 ( -30.878 0.200 -15.631) 34.610 18.438 ( -20.102 -5.666 -10.783) 23.505 19.227 ( -15.822 19.660 -7.889) 26.441 19.907 ( -24.570 -8.860 -11.283) 28.451 ======================= Grid point 69 (28/90) ======================= q-point: ( 0.30 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 36.207 21.951 8.733) 43.233 2.956 ( 37.457 6.978 13.868) 40.547 3.368 ( 37.793 -9.669 15.399) 41.940 3.530 ( 6.620 -18.408 2.128) 19.677 4.475 ( 4.776 5.058 0.259) 6.961 4.643 ( 7.012 -0.911 5.234) 8.797 4.840 ( 51.836 7.358 16.082) 54.770 5.137 ( 33.667 -0.889 12.106) 35.788 5.326 ( -1.711 1.138 2.468) 3.212 5.547 ( -21.300 -9.853 0.030) 23.468 5.840 ( 12.740 0.404 -9.799) 16.078 5.970 ( 10.605 -3.457 -6.524) 12.922 6.240 ( 0.023 1.780 6.788) 7.017 6.311 ( 2.339 -3.833 -3.174) 5.499 6.349 ( -9.823 10.979 -0.936) 14.762 6.526 ( -20.770 0.471 8.904) 22.603 6.571 ( -18.968 0.164 9.011) 21.000 6.732 ( 4.287 10.439 -17.104) 20.491 6.846 ( -6.551 -5.597 -3.500) 9.301 7.109 ( -5.922 2.611 -21.030) 22.003 7.308 ( 1.743 -11.704 -6.464) 13.484 7.315 ( -4.674 -4.899 -1.968) 7.051 7.436 ( 0.331 0.139 8.468) 8.476 7.530 ( -5.083 -2.535 -1.811) 5.962 7.853 ( -19.155 1.872 12.019) 22.691 7.996 ( -16.636 -4.454 7.876) 18.937 8.260 ( 3.150 8.328 1.149) 8.977 8.422 ( -4.595 1.796 0.537) 4.963 8.943 ( -9.557 2.486 -2.636) 10.221 9.011 ( -10.731 0.809 -4.114) 11.521 9.668 ( -34.965 1.103 0.532) 34.986 9.790 ( -24.438 -3.531 -0.467) 24.696 10.214 ( 11.706 1.111 -12.766) 17.356 10.262 ( 12.289 -0.618 -15.114) 19.489 10.687 ( 7.147 0.717 -5.081) 8.798 10.719 ( 7.230 -0.480 -6.555) 9.771 12.372 ( -0.178 0.706 -0.866) 1.132 12.411 ( -0.635 -0.740 -0.328) 1.029 12.473 ( -5.631 0.807 -0.668) 5.728 12.521 ( -6.001 -0.996 -0.497) 6.103 12.817 ( -2.307 1.294 2.106) 3.381 12.884 ( -2.441 -1.230 2.071) 3.429 12.985 ( 8.824 2.692 5.455) 10.717 13.147 ( 7.628 -3.496 4.211) 9.388 13.380 ( -3.440 1.548 -0.620) 3.823 13.443 ( -2.341 1.208 2.261) 3.472 13.457 ( -4.516 -1.418 -1.141) 4.869 13.496 ( -0.011 0.656 2.062) 2.163 13.514 ( 0.061 -0.330 0.549) 0.643 13.527 ( -1.136 -1.086 2.184) 2.690 13.592 ( -0.889 1.819 1.625) 2.596 13.713 ( -2.750 -1.749 -0.269) 3.270 13.940 ( 0.627 1.597 2.654) 3.160 14.028 ( 0.694 -1.839 0.417) 2.010 14.142 ( 0.622 2.256 0.928) 2.517 14.212 ( -0.160 -0.658 2.056) 2.165 14.226 ( 3.045 -0.981 1.717) 3.631 14.273 ( -2.493 -2.429 1.892) 3.962 14.296 ( 2.898 0.604 1.934) 3.536 14.313 ( 4.541 0.266 -1.122) 4.686 14.433 ( -1.439 3.346 0.855) 3.741 14.512 ( -1.873 0.988 1.602) 2.655 14.599 ( -0.248 -1.904 1.497) 2.435 14.641 ( -4.076 -1.103 -0.657) 4.273 14.860 ( 7.660 1.356 -0.914) 7.833 14.899 ( 6.272 3.050 -2.124) 7.290 15.036 ( 7.217 -6.179 -0.437) 9.511 15.092 ( 6.708 -3.741 -3.857) 8.594 15.303 ( -1.943 1.860 -2.641) 3.769 15.383 ( -1.284 -0.466 -3.163) 3.446 15.523 ( 3.875 8.970 0.355) 9.778 15.779 ( 0.171 -0.112 -4.657) 4.661 15.862 ( 11.440 0.779 -3.226) 11.911 15.938 ( 5.741 -4.025 4.266) 8.207 16.230 ( 1.979 3.030 3.582) 5.092 16.401 ( -2.990 -4.059 4.405) 6.695 16.735 ( 22.728 4.093 -5.798) 23.810 17.029 ( 9.001 -6.545 -2.346) 11.374 17.535 ( 8.302 4.972 -0.211) 9.680 17.763 ( -7.920 -2.309 -2.436) 8.601 17.840 ( -7.430 1.451 -2.943) 8.122 18.077 ( -16.718 -8.076 -6.887) 19.803 18.904 ( -16.530 13.963 -5.767) 22.394 19.418 ( -24.851 -7.206 -8.125) 27.120 ======================= Grid point 70 (29/90) ======================= q-point: ( 0.40 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( 41.414 9.327 7.162) 43.052 3.601 ( 25.696 7.021 8.397) 27.931 3.710 ( 12.537 -7.593 2.064) 14.802 4.077 ( 29.409 -12.621 8.700) 33.164 4.600 ( 9.095 6.571 3.081) 11.636 4.742 ( -5.826 -1.353 5.633) 8.216 4.768 ( -13.216 -0.871 5.610) 14.384 4.924 ( -35.660 -7.206 4.015) 36.602 5.561 ( 14.443 7.902 -6.507) 17.703 5.855 ( -15.722 3.467 8.760) 18.329 5.958 ( 3.269 -0.795 -4.927) 5.966 6.035 ( -18.511 -0.435 6.427) 19.599 6.144 ( -1.177 5.364 -3.885) 6.727 6.297 ( 5.081 1.709 -1.971) 5.712 6.410 ( 21.105 -2.928 5.739) 22.067 6.476 ( 21.970 6.105 8.940) 24.492 6.648 ( 22.379 -5.121 6.495) 23.858 6.758 ( 8.288 -1.965 -1.099) 8.588 6.927 ( 13.319 4.557 -13.665) 19.619 7.045 ( -0.609 1.579 -11.109) 11.237 7.147 ( -7.074 -2.388 -2.857) 7.994 7.392 ( 3.682 -9.586 -1.230) 10.343 7.413 ( -5.348 -0.623 -5.885) 7.976 7.485 ( 1.628 -4.494 3.944) 6.197 7.523 ( -11.623 2.044 3.854) 12.414 7.723 ( -10.316 -6.140 -0.050) 12.005 8.284 ( -13.700 2.185 0.778) 13.895 8.302 ( -1.460 1.610 1.937) 2.912 8.700 ( -20.933 2.337 0.850) 21.081 8.740 ( -15.236 0.622 -0.379) 15.254 8.979 ( -25.225 9.945 1.562) 27.160 9.429 ( -9.935 -7.310 -0.882) 12.366 10.407 ( 7.286 1.222 -9.942) 12.387 10.468 ( 7.921 -1.014 -11.578) 14.065 10.792 ( 3.347 0.828 -8.660) 9.321 10.831 ( 3.886 -0.613 -9.398) 10.188 12.370 ( -0.907 0.495 -0.876) 1.355 12.376 ( -2.868 0.781 -0.222) 2.981 12.401 ( -0.542 -0.634 -0.544) 0.996 12.417 ( -3.880 -0.740 0.099) 3.951 12.776 ( -1.634 1.181 2.462) 3.182 12.841 ( -1.727 -1.213 2.465) 3.246 13.130 ( 5.422 2.117 4.882) 7.597 13.261 ( 3.741 -2.685 2.973) 5.482 13.324 ( -1.819 0.982 -0.775) 2.208 13.368 ( -3.545 -0.617 -0.992) 3.733 13.411 ( -0.885 0.868 2.943) 3.194 13.489 ( -0.652 -1.624 2.062) 2.705 13.507 ( 0.057 1.592 4.288) 4.574 13.543 ( 1.440 0.104 1.567) 2.131 13.590 ( 0.027 0.947 1.820) 2.052 13.677 ( -1.098 -1.252 0.318) 1.695 13.954 ( 0.879 1.302 5.099) 5.336 14.027 ( -0.708 -1.626 2.865) 3.369 14.137 ( -0.523 0.944 1.587) 1.919 14.186 ( -1.602 -0.894 0.194) 1.844 14.238 ( -0.891 -1.615 2.436) 3.056 14.248 ( -0.075 -2.159 3.322) 3.962 14.364 ( 2.457 1.051 -2.818) 3.884 14.389 ( 2.263 0.130 -3.106) 3.845 14.405 ( -0.895 3.749 1.590) 4.169 14.487 ( -0.306 0.055 2.099) 2.122 14.548 ( -3.848 0.320 0.441) 3.886 14.588 ( -0.887 -1.485 2.448) 2.997 14.966 ( 3.551 1.685 -0.115) 3.932 15.018 ( 4.087 1.685 -4.574) 6.361 15.146 ( 3.581 -6.556 0.354) 7.479 15.189 ( 2.358 -4.647 -4.991) 7.216 15.227 ( -3.877 2.217 -4.225) 6.148 15.317 ( -2.796 -0.769 -4.394) 5.265 15.616 ( 4.064 11.013 2.718) 12.049 15.806 ( 1.984 4.507 -1.977) 5.307 16.025 ( 3.830 -4.712 5.752) 8.364 16.100 ( 8.946 -6.028 -2.992) 11.194 16.265 ( 1.738 2.613 1.790) 3.613 16.363 ( 0.358 -0.364 1.820) 1.890 17.140 ( 14.758 -1.605 -4.576) 15.534 17.185 ( 7.447 -2.609 -2.775) 8.365 17.469 ( -9.410 5.096 -3.935) 11.402 17.664 ( -4.788 -3.749 -4.088) 7.328 17.836 ( 0.507 2.870 -3.292) 4.397 17.992 ( 12.489 -3.128 -1.736) 12.992 18.597 ( -13.720 7.721 -4.565) 16.392 18.929 ( -24.244 -5.154 -6.932) 25.737 ======================= Grid point 71 (30/90) ======================= q-point: (-0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.868 ( 0.000 5.578 3.562) 6.618 3.905 ( -0.000 3.166 2.295) 3.911 3.983 ( -0.000 -2.441 3.474) 4.246 4.176 ( 0.000 3.807 6.826) 7.816 4.378 ( 0.000 -12.496 -0.583) 12.510 4.479 ( -0.000 -7.493 4.001) 8.495 4.835 ( 0.000 0.372 14.532) 14.537 4.844 ( -0.000 0.246 13.722) 13.724 5.420 ( -0.000 9.839 4.363) 10.763 5.777 ( 0.000 -4.287 5.679) 7.115 5.786 ( -0.000 6.911 -8.486) 10.944 5.982 ( 0.000 2.155 -7.475) 7.780 6.128 ( 0.000 4.896 -6.852) 8.422 6.326 ( 0.000 2.284 -1.746) 2.875 6.553 ( 0.000 -5.457 8.183) 9.836 6.639 ( -0.000 -10.612 8.683) 13.712 6.905 ( 0.000 11.234 -8.223) 13.922 7.059 ( 0.000 0.179 -2.474) 2.480 7.071 ( -0.000 -0.059 -2.988) 2.989 7.109 ( -0.000 7.160 -2.887) 7.721 7.311 ( 0.000 0.973 -3.186) 3.331 7.323 ( -0.000 -0.288 -7.403) 7.408 7.360 ( 0.000 2.837 -3.628) 4.606 7.584 ( 0.000 -9.161 -4.180) 10.070 7.642 ( 0.000 -10.419 3.678) 11.049 7.679 ( 0.000 -13.446 4.648) 14.226 7.872 ( 0.000 2.467 4.760) 5.361 7.935 ( -0.000 -0.955 6.822) 6.888 8.450 ( 0.000 5.992 1.302) 6.132 8.577 ( -0.000 0.304 1.618) 1.647 8.817 ( 0.000 14.194 -1.178) 14.243 9.347 ( 0.000 -7.657 -1.712) 7.846 10.482 ( -0.000 1.303 -8.441) 8.541 10.551 ( -0.000 -1.249 -9.319) 9.402 10.823 ( 0.000 1.003 -11.015) 11.061 10.869 ( 0.000 -0.718 -10.860) 10.884 12.335 ( 0.000 0.679 0.344) 0.761 12.372 ( 0.000 0.498 -1.172) 1.273 12.373 ( 0.000 -0.764 0.461) 0.892 12.399 ( 0.000 -0.471 -0.578) 0.746 12.759 ( 0.000 1.150 2.605) 2.848 12.823 ( 0.000 -1.204 2.611) 2.875 13.185 ( 0.000 1.759 4.615) 4.939 13.289 ( 0.000 -1.544 1.376) 2.068 13.317 ( 0.000 0.252 -0.237) 0.345 13.330 ( 0.000 -0.114 -0.661) 0.671 13.405 ( 0.000 0.370 3.646) 3.665 13.481 ( 0.000 -2.122 1.693) 2.715 13.509 ( 0.000 2.419 5.832) 6.314 13.562 ( 0.000 -0.104 2.594) 2.596 13.587 ( 0.000 0.904 0.971) 1.327 13.666 ( 0.000 -1.085 0.310) 1.128 13.967 ( -0.000 0.793 5.656) 5.711 14.014 ( 0.000 -1.185 4.314) 4.474 14.131 ( 0.000 0.343 1.734) 1.768 14.167 ( 0.000 -1.338 -0.424) 1.404 14.230 ( 0.000 -0.957 2.109) 2.316 14.245 ( 0.000 -2.097 2.456) 3.230 14.377 ( 0.000 1.438 -1.614) 2.161 14.402 ( 0.000 2.922 -0.140) 2.925 14.410 ( -0.000 0.194 -3.339) 3.345 14.485 ( 0.000 -0.371 0.785) 0.868 14.511 ( 0.000 1.297 2.690) 2.986 14.579 ( 0.000 -1.288 2.593) 2.895 15.002 ( 0.000 1.790 -0.411) 1.837 15.052 ( 0.000 0.736 -4.417) 4.478 15.164 ( 0.000 -1.637 -3.423) 3.794 15.196 ( 0.000 -4.641 -4.503) 6.466 15.207 ( 0.000 -2.188 0.233) 2.201 15.300 ( 0.000 -0.597 -6.071) 6.100 15.658 ( 0.000 11.327 3.707) 11.919 15.830 ( 0.000 5.715 -0.784) 5.768 16.063 ( 0.000 -5.547 6.996) 8.928 16.175 ( 0.000 -8.889 -1.924) 9.095 16.284 ( -0.000 2.413 0.744) 2.525 16.401 ( 0.000 -0.564 -1.321) 1.436 17.244 ( 0.000 0.032 -2.281) 2.281 17.325 ( -0.000 -1.838 -3.759) 4.184 17.363 ( 0.000 3.975 -2.771) 4.845 17.547 ( 0.000 -3.447 -5.512) 6.501 17.910 ( 0.000 7.746 -2.854) 8.255 18.240 ( -0.000 -5.119 -4.061) 6.534 18.435 ( -0.000 2.810 -3.939) 4.838 18.571 ( 0.000 -2.351 -6.380) 6.799 ======================= Grid point 77 (31/90) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 0.000 -18.090 32.255) 36.981 1.593 ( 0.000 18.090 32.255) 36.981 1.844 ( 0.000 -8.945 60.237) 60.898 1.844 ( 0.000 8.945 60.237) 60.898 2.862 ( 0.000 -53.855 1.753) 53.883 2.862 ( 0.000 53.855 1.753) 53.883 4.512 ( 0.000 -6.628 13.551) 15.085 4.512 ( 0.000 6.628 13.551) 15.085 5.283 ( 0.000 -6.232 -6.881) 9.284 5.283 ( 0.000 6.232 -6.881) 9.284 5.899 ( 0.000 -1.731 -13.872) 13.980 5.899 ( 0.000 1.731 -13.872) 13.980 6.181 ( 0.000 -2.969 -1.314) 3.247 6.181 ( 0.000 2.969 -1.314) 3.247 6.760 ( 0.000 -11.355 -2.171) 11.560 6.760 ( 0.000 11.355 -2.170) 11.560 7.272 ( 0.000 -4.585 6.585) 8.024 7.272 ( 0.000 4.585 6.585) 8.024 7.409 ( 0.000 -1.057 -10.162) 10.217 7.409 ( 0.000 1.057 -10.162) 10.217 7.512 ( 0.000 -4.783 -3.557) 5.961 7.512 ( 0.000 4.783 -3.557) 5.961 7.663 ( 0.000 -2.850 -9.998) 10.396 7.663 ( 0.000 2.850 -9.998) 10.396 8.384 ( 0.000 -12.585 0.894) 12.616 8.384 ( 0.000 12.585 0.894) 12.617 8.803 ( 0.000 -0.612 27.414) 27.421 8.803 ( 0.000 0.612 27.414) 27.421 9.661 ( 0.000 -0.416 -18.464) 18.469 9.661 ( 0.000 0.416 -18.464) 18.469 10.062 ( 0.000 -3.802 -44.702) 44.864 10.062 ( 0.000 3.804 -44.701) 44.863 10.298 ( 0.000 -0.913 -5.256) 5.335 10.298 ( 0.000 0.913 -5.256) 5.334 10.766 ( 0.000 -0.724 -6.874) 6.912 10.766 ( 0.000 0.724 -6.874) 6.912 12.492 ( 0.000 -1.514 7.328) 7.483 12.492 ( 0.000 1.514 7.328) 7.483 12.561 ( 0.000 -2.553 0.321) 2.573 12.561 ( 0.000 2.553 0.321) 2.573 12.690 ( 0.000 -1.499 -0.483) 1.575 12.690 ( 0.000 1.499 -0.483) 1.575 12.965 ( 0.000 -2.073 2.575) 3.306 12.965 ( 0.000 2.073 2.575) 3.306 13.424 ( 0.000 -0.200 -0.915) 0.937 13.424 ( 0.000 0.200 -0.915) 0.937 13.584 ( 0.000 -0.457 2.538) 2.579 13.584 ( 0.000 0.457 2.538) 2.579 13.639 ( 0.000 -1.605 1.643) 2.297 13.639 ( 0.000 1.605 1.643) 2.297 13.789 ( 0.000 -3.477 -2.288) 4.163 13.789 ( 0.000 3.477 -2.288) 4.163 13.874 ( 0.000 -1.246 0.398) 1.308 13.874 ( 0.000 1.246 0.398) 1.308 14.045 ( 0.000 -5.981 -0.654) 6.017 14.045 ( 0.000 5.981 -0.654) 6.017 14.063 ( 0.000 -1.671 -2.830) 3.287 14.063 ( 0.000 1.671 -2.830) 3.287 14.301 ( 0.000 -4.403 -4.478) 6.280 14.301 ( 0.000 4.403 -4.478) 6.280 14.483 ( 0.000 -8.994 17.504) 19.679 14.483 ( 0.000 8.994 17.504) 19.679 14.537 ( 0.000 -3.196 3.068) 4.431 14.537 ( 0.000 3.196 3.068) 4.431 14.709 ( 0.000 -0.905 -1.989) 2.185 14.709 ( 0.000 0.905 -1.989) 2.185 14.744 ( 0.000 -2.364 7.933) 8.278 14.744 ( 0.000 2.364 7.934) 8.278 15.079 ( 0.000 -2.405 4.562) 5.157 15.079 ( 0.000 2.405 4.562) 5.157 15.487 ( 0.000 -9.434 -2.387) 9.731 15.487 ( 0.000 9.434 -2.387) 9.732 15.609 ( 0.000 -1.475 -4.015) 4.277 15.609 ( 0.000 1.476 -4.015) 4.277 16.243 ( 0.000 -5.975 8.409) 10.316 16.243 ( 0.000 5.975 8.408) 10.315 16.409 ( 0.000 -1.923 -4.409) 4.810 16.409 ( 0.000 1.924 -4.410) 4.811 17.459 ( 0.000 -11.762 8.236) 14.358 17.459 ( 0.000 11.762 8.236) 14.359 19.171 ( 0.000 -6.242 -29.551) 30.203 19.171 ( 0.000 6.244 -29.550) 30.203 20.376 ( 0.000 -17.233 -40.117) 43.661 20.376 ( 0.000 17.233 -40.117) 43.661 ======================= Grid point 79 (32/90) ======================= q-point: ( 0.10 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 22.928 -15.324 31.450) 41.829 1.771 ( 22.928 15.324 31.450) 41.829 2.351 ( 31.944 -23.978 30.369) 50.176 2.351 ( 31.944 23.978 30.369) 50.176 2.997 ( 20.960 -40.332 13.721) 47.479 2.997 ( 20.960 40.332 13.721) 47.479 4.497 ( -0.619 -5.782 10.369) 11.888 4.497 ( -0.619 5.782 10.369) 11.888 5.389 ( 9.277 -5.430 -7.294) 12.990 5.389 ( 9.277 5.430 -7.294) 12.990 5.904 ( -0.987 -0.913 -12.470) 12.543 5.904 ( -0.987 0.913 -12.470) 12.543 6.154 ( -1.548 -2.859 -0.887) 3.370 6.154 ( -1.548 2.859 -0.887) 3.370 6.795 ( 3.190 -11.050 -2.762) 11.828 6.795 ( 3.190 11.050 -2.762) 11.828 7.195 ( -8.451 -2.603 6.679) 11.081 7.195 ( -8.451 2.603 6.679) 11.081 7.281 ( -12.332 -2.224 -9.110) 15.493 7.281 ( -12.332 2.225 -9.110) 15.493 7.463 ( -3.979 -3.965 -4.174) 6.999 7.463 ( -3.979 3.965 -4.174) 6.999 7.606 ( -5.109 -2.880 -8.399) 10.244 7.606 ( -5.109 2.880 -8.399) 10.244 8.389 ( 0.220 -11.520 1.050) 11.570 8.389 ( 0.220 11.520 1.050) 11.570 8.658 ( -13.513 -1.386 24.097) 27.662 8.658 ( -13.513 1.386 24.097) 27.662 9.682 ( -19.374 -1.277 -26.169) 32.585 9.682 ( -19.378 1.279 -26.170) 32.589 9.782 ( 1.138 -0.715 -18.114) 18.164 9.782 ( 1.135 0.716 -18.115) 18.164 10.370 ( 6.493 -0.955 -3.714) 7.541 10.370 ( 6.493 0.955 -3.714) 7.541 10.636 ( -12.431 -0.678 -4.505) 13.239 10.636 ( -12.431 0.678 -4.505) 13.239 12.436 ( -2.440 -1.510 2.513) 3.814 12.436 ( -2.440 1.510 2.513) 3.814 12.670 ( -1.678 -1.331 -0.482) 2.195 12.670 ( -1.678 1.331 -0.482) 2.195 12.684 ( 8.182 -3.170 3.903) 9.604 12.684 ( 8.182 3.170 3.903) 9.604 12.950 ( -1.482 -2.031 2.541) 3.575 12.950 ( -1.482 2.031 2.541) 3.575 13.450 ( 1.661 -0.898 -1.256) 2.267 13.450 ( 1.661 0.898 -1.256) 2.267 13.551 ( -1.894 -0.421 1.810) 2.653 13.551 ( -1.894 0.421 1.810) 2.653 13.603 ( -3.458 -1.314 1.742) 4.089 13.603 ( -3.458 1.314 1.742) 4.089 13.818 ( -0.411 -3.524 -5.734) 6.743 13.818 ( -0.411 3.524 -5.734) 6.743 13.920 ( 1.577 -1.278 0.064) 2.031 13.920 ( 1.577 1.278 0.064) 2.031 14.002 ( 1.421 -2.022 -1.127) 2.716 14.002 ( 1.421 2.023 -1.127) 2.716 14.123 ( 5.533 -4.869 0.751) 7.408 14.123 ( 5.533 4.869 0.751) 7.408 14.354 ( -1.190 -1.698 1.698) 2.680 14.354 ( -1.190 1.698 1.698) 2.681 14.448 ( 1.514 -2.327 6.422) 6.996 14.448 ( 1.514 2.327 6.422) 6.996 14.543 ( 3.414 -3.702 1.235) 5.185 14.543 ( 3.414 3.702 1.235) 5.185 14.688 ( 0.883 -2.626 0.256) 2.783 14.688 ( 0.883 2.626 0.256) 2.783 14.859 ( 2.943 -3.362 3.572) 5.721 14.859 ( 2.943 3.362 3.572) 5.721 15.164 ( 8.418 -2.441 3.004) 9.265 15.164 ( 8.418 2.441 3.004) 9.265 15.540 ( 4.523 -8.024 -1.028) 9.268 15.540 ( 4.523 8.024 -1.028) 9.269 15.635 ( 2.742 -3.250 -3.668) 5.615 15.635 ( 2.742 3.250 -3.668) 5.615 16.279 ( 2.712 -5.904 6.073) 8.894 16.279 ( 2.713 5.904 6.073) 8.894 16.448 ( 4.450 -7.287 -3.651) 9.286 16.448 ( 4.450 7.288 -3.651) 9.287 17.487 ( 2.671 -10.888 7.208) 13.328 17.487 ( 2.671 10.889 7.208) 13.328 18.898 ( -24.822 -4.649 -24.646) 35.287 18.898 ( -24.821 4.651 -24.645) 35.286 20.077 ( -22.883 -19.843 -22.100) 37.494 20.077 ( -22.883 19.843 -22.100) 37.494 ======================= Grid point 81 (33/90) ======================= q-point: ( 0.20 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 36.597 -12.172 20.385) 43.624 2.392 ( 36.597 12.172 20.385) 43.624 2.719 ( 12.572 -38.004 6.250) 40.514 2.719 ( 12.573 38.004 6.250) 40.514 3.878 ( 58.896 -13.927 25.513) 65.678 3.878 ( 58.896 13.927 25.513) 65.678 4.512 ( 2.317 -5.124 5.986) 8.213 4.512 ( 2.317 5.124 5.986) 8.213 5.585 ( 7.385 -3.477 -7.027) 10.771 5.585 ( 7.385 3.477 -7.027) 10.771 5.791 ( -8.716 -5.260 -9.359) 13.828 5.791 ( -8.716 5.260 -9.359) 13.828 6.176 ( 3.660 -0.726 -0.075) 3.733 6.176 ( 3.660 0.726 -0.075) 3.733 6.844 ( -3.214 -4.629 -1.657) 5.874 6.844 ( -3.214 4.629 -1.657) 5.874 6.941 ( -14.455 -3.522 5.920) 16.013 6.941 ( -14.455 3.522 5.920) 16.013 6.998 ( -12.051 -2.307 -7.045) 14.149 6.998 ( -12.051 2.307 -7.045) 14.149 7.353 ( -7.388 -3.197 -15.871) 17.796 7.353 ( -7.388 3.197 -15.871) 17.796 7.515 ( -3.088 -2.954 3.343) 5.426 7.515 ( -3.089 2.954 3.343) 5.426 8.281 ( -17.113 -3.314 15.369) 23.239 8.281 ( -17.113 3.314 15.369) 23.239 8.429 ( -2.501 -7.419 3.427) 8.546 8.429 ( -2.501 7.419 3.427) 8.547 9.244 ( -17.178 -1.817 -9.315) 19.625 9.244 ( -17.177 1.820 -9.314) 19.625 9.983 ( 12.107 -0.878 -16.622) 20.583 9.983 ( 12.107 0.878 -16.622) 20.583 10.264 ( -22.559 -0.193 -1.732) 22.626 10.264 ( -22.559 0.193 -1.732) 22.626 10.545 ( 8.326 -0.850 -3.942) 9.251 10.545 ( 8.326 0.850 -3.942) 9.251 12.404 ( -1.005 -1.252 0.241) 1.624 12.404 ( -1.005 1.252 0.241) 1.624 12.603 ( -4.654 -1.402 -0.811) 4.928 12.603 ( -4.654 1.402 -0.811) 4.928 12.859 ( 6.952 -2.795 3.288) 8.182 12.859 ( 6.952 2.795 3.288) 8.182 12.920 ( 0.399 -2.332 3.928) 4.586 12.920 ( 0.398 2.332 3.928) 4.586 13.468 ( -0.247 -1.249 -0.984) 1.609 13.468 ( -0.247 1.249 -0.984) 1.609 13.516 ( -1.711 -0.431 1.282) 2.182 13.516 ( -1.711 0.432 1.282) 2.182 13.534 ( -3.024 -1.575 2.130) 4.021 13.534 ( -3.024 1.575 2.130) 4.021 13.727 ( -5.601 -3.732 -2.216) 7.086 13.727 ( -5.601 3.732 -2.216) 7.086 13.957 ( 1.982 -2.102 -1.551) 3.279 13.957 ( 1.982 2.102 -1.551) 3.279 14.113 ( 6.796 -1.889 -0.813) 7.101 14.113 ( 6.796 1.889 -0.813) 7.101 14.214 ( 2.360 -4.391 0.916) 5.069 14.214 ( 2.360 4.391 0.916) 5.069 14.297 ( -2.261 -0.829 6.117) 6.574 14.297 ( -2.261 0.829 6.117) 6.574 14.490 ( 1.756 -3.226 0.309) 3.686 14.490 ( 1.756 3.227 0.309) 3.687 14.630 ( 1.147 -3.079 0.557) 3.332 14.630 ( 1.146 3.079 0.557) 3.332 14.752 ( 7.177 -4.120 -1.331) 8.382 14.752 ( 7.177 4.121 -1.331) 8.382 14.898 ( 3.216 -2.460 0.840) 4.135 14.898 ( 3.216 2.460 0.840) 4.135 15.320 ( 5.560 -2.691 -0.818) 6.231 15.320 ( 5.560 2.691 -0.818) 6.231 15.620 ( 3.412 -7.375 -2.505) 8.504 15.620 ( 3.412 7.375 -2.506) 8.504 15.732 ( 6.979 -3.975 -0.972) 8.090 15.732 ( 6.979 3.975 -0.971) 8.090 16.310 ( 0.310 -6.417 4.204) 7.678 16.310 ( 0.310 6.417 4.204) 7.678 16.603 ( 11.081 -11.752 -3.472) 16.521 16.603 ( 11.081 11.753 -3.472) 16.522 17.560 ( 4.645 -8.981 4.668) 11.136 17.560 ( 4.644 8.981 4.668) 11.136 18.358 ( -26.460 -2.125 -13.832) 29.932 18.358 ( -26.460 2.126 -13.832) 29.933 19.631 ( -21.928 -16.936 -10.384) 29.589 19.631 ( -21.928 16.936 -10.384) 29.589 ======================= Grid point 83 (34/90) ======================= q-point: ( 0.30 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 21.043 -26.285 4.716) 33.999 3.011 ( 21.043 26.285 4.716) 33.999 3.156 ( 36.202 -11.662 14.452) 40.687 3.156 ( 36.202 11.662 14.452) 40.687 4.583 ( 4.862 -4.418 4.119) 7.754 4.583 ( 4.862 4.418 4.119) 7.754 5.044 ( 51.318 -9.347 15.717) 54.479 5.044 ( 51.318 9.347 15.717) 54.479 5.367 ( -19.659 -6.250 -2.315) 20.758 5.367 ( -19.659 6.250 -2.315) 20.758 5.894 ( 13.950 -4.072 -9.431) 17.325 5.894 ( 13.950 4.072 -9.431) 17.325 6.252 ( 2.335 -0.898 4.051) 4.761 6.252 ( 2.335 0.898 4.051) 4.761 6.530 ( -20.398 -1.314 7.185) 21.666 6.530 ( -20.398 1.314 7.185) 21.666 6.655 ( -11.070 -10.409 -0.125) 15.196 6.655 ( -11.070 10.409 -0.125) 15.196 7.011 ( 5.009 -13.851 -11.788) 18.865 7.011 ( 5.009 13.851 -11.788) 18.865 7.202 ( -6.971 -5.037 -13.568) 16.064 7.202 ( -6.971 5.037 -13.568) 16.064 7.470 ( -2.046 -2.632 4.312) 5.450 7.470 ( -2.046 2.633 4.311) 5.450 7.909 ( -18.371 -3.473 10.576) 21.481 7.909 ( -18.371 3.473 10.576) 21.481 8.402 ( -1.639 -4.138 0.894) 4.540 8.402 ( -1.639 4.138 0.894) 4.540 9.000 ( -9.374 -2.088 -3.699) 10.291 9.000 ( -9.373 2.090 -3.699) 10.291 9.712 ( -30.137 -3.171 0.039) 30.303 9.712 ( -30.137 3.171 0.039) 30.304 10.241 ( 11.860 -1.290 -13.735) 18.192 10.241 ( 11.860 1.290 -13.735) 18.192 10.705 ( 7.150 -0.819 -5.898) 9.305 10.705 ( 7.150 0.819 -5.898) 9.305 12.391 ( -0.416 -1.019 -0.622) 1.264 12.391 ( -0.416 1.019 -0.622) 1.264 12.496 ( -5.752 -1.245 -0.563) 5.912 12.496 ( -5.752 1.245 -0.563) 5.912 12.851 ( -2.428 -1.767 2.071) 3.648 12.851 ( -2.428 1.767 2.071) 3.648 13.060 ( 8.207 -4.202 4.929) 10.454 13.060 ( 8.207 4.202 4.929) 10.454 13.418 ( -3.944 -1.981 -0.617) 4.456 13.418 ( -3.944 1.981 -0.617) 4.456 13.478 ( -2.247 -1.831 1.868) 3.449 13.478 ( -2.247 1.831 1.868) 3.449 13.515 ( 0.877 -0.374 1.606) 1.867 13.515 ( 0.877 0.374 1.606) 1.867 13.653 ( -1.975 -3.488 0.540) 4.044 13.653 ( -1.975 3.488 0.540) 4.044 13.983 ( 0.668 -2.293 0.815) 2.523 13.983 ( 0.668 2.293 0.815) 2.523 14.200 ( -0.079 -2.161 1.205) 2.476 14.200 ( -0.079 2.161 1.205) 2.476 14.214 ( -0.299 -1.309 2.771) 3.080 14.214 ( -0.299 1.309 2.771) 3.080 14.311 ( 3.836 -0.512 0.132) 3.872 14.311 ( 3.836 0.512 0.132) 3.872 14.501 ( -0.803 -2.665 1.176) 3.022 14.501 ( -0.803 2.665 1.176) 3.022 14.600 ( -2.651 -2.238 0.813) 3.563 14.600 ( -2.651 2.238 0.813) 3.563 14.911 ( 7.297 -3.260 -0.852) 8.037 14.911 ( 7.297 3.260 -0.852) 8.037 15.002 ( 6.190 -4.125 -2.683) 7.907 15.002 ( 6.190 4.125 -2.683) 7.907 15.349 ( -2.367 -2.202 -3.216) 4.560 15.349 ( -2.367 2.202 -3.216) 4.560 15.710 ( 5.909 -7.181 -2.211) 9.559 15.710 ( 5.909 7.181 -2.211) 9.559 15.877 ( 6.811 -1.052 0.478) 6.908 15.877 ( 6.811 1.052 0.478) 6.908 16.308 ( 0.092 -4.261 3.786) 5.701 16.308 ( 0.092 4.261 3.786) 5.701 16.864 ( 14.554 -7.807 -4.150) 17.030 16.864 ( 14.554 7.808 -4.150) 17.030 17.662 ( 4.702 -6.239 1.030) 7.880 17.662 ( 4.702 6.239 1.030) 7.879 17.924 ( -15.880 -5.959 -6.673) 18.227 17.924 ( -15.881 5.960 -6.673) 18.228 19.201 ( -21.735 -12.879 -7.252) 26.285 19.201 ( -21.735 12.879 -7.252) 26.285 ======================= Grid point 85 (35/90) ======================= q-point: ( 0.40 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.488 ( 27.027 -12.248 4.337) 29.988 3.488 ( 27.027 12.248 4.337) 29.988 3.809 ( 26.742 -11.911 7.906) 30.323 3.809 ( 26.742 11.911 7.906) 30.323 4.706 ( 7.696 -3.203 7.401) 11.147 4.706 ( 7.696 3.203 7.401) 11.147 4.789 ( -29.754 -4.227 2.423) 30.151 4.789 ( -29.754 4.227 2.423) 30.151 5.767 ( 8.969 -10.132 -8.432) 15.944 5.767 ( 8.969 10.132 -8.432) 15.944 5.988 ( -16.815 -4.405 9.458) 19.789 5.988 ( -16.815 4.405 9.458) 19.789 6.299 ( 8.154 -5.169 1.331) 9.746 6.299 ( 8.154 5.169 1.331) 9.746 6.428 ( 4.002 -11.381 0.557) 12.077 6.428 ( 4.002 11.381 0.557) 12.077 6.670 ( 30.400 -7.822 8.687) 32.570 6.670 ( 30.400 7.822 8.687) 32.570 7.084 ( -1.390 -3.319 -9.496) 10.155 7.084 ( -1.390 3.318 -9.496) 10.155 7.131 ( 3.401 -11.437 -9.130) 15.024 7.131 ( 3.401 11.437 -9.130) 15.025 7.422 ( -2.742 -1.537 0.381) 3.167 7.422 ( -2.742 1.538 0.381) 3.167 7.598 ( -12.144 -4.976 1.608) 13.222 7.598 ( -12.144 4.976 1.608) 13.222 8.316 ( -11.057 -0.552 2.018) 11.253 8.316 ( -11.057 0.553 2.018) 11.253 8.739 ( -18.824 -0.987 0.470) 18.856 8.739 ( -18.825 0.988 0.470) 18.857 9.221 ( -13.642 -11.654 -0.009) 17.942 9.221 ( -13.643 11.655 -0.009) 17.944 10.439 ( 7.526 -1.604 -10.676) 13.160 10.439 ( 7.526 1.604 -10.676) 13.160 10.813 ( 3.638 -1.002 -9.080) 9.833 10.813 ( 3.638 1.002 -9.080) 9.833 12.384 ( -0.764 -0.796 -0.710) 1.312 12.384 ( -0.764 0.796 -0.710) 1.312 12.397 ( -3.308 -1.031 -0.080) 3.466 12.397 ( -3.308 1.031 -0.080) 3.466 12.808 ( -1.697 -1.710 2.474) 3.453 12.808 ( -1.697 1.710 2.474) 3.453 13.192 ( 4.676 -3.468 4.221) 7.191 13.192 ( 4.676 3.469 4.221) 7.191 13.349 ( -2.579 -1.171 -0.823) 2.950 13.349 ( -2.579 1.171 -0.823) 2.950 13.444 ( -1.107 -2.100 2.167) 3.214 13.444 ( -1.107 2.100 2.167) 3.214 13.538 ( 1.155 -0.736 2.692) 3.021 13.538 ( 1.155 0.736 2.692) 3.021 13.631 ( -0.598 -2.697 1.495) 3.141 13.631 ( -0.598 2.697 1.495) 3.141 13.988 ( 0.007 -1.873 3.759) 4.200 13.988 ( 0.007 1.873 3.759) 4.200 14.163 ( -1.807 -1.343 1.328) 2.614 14.163 ( -1.807 1.343 1.328) 2.614 14.218 ( -0.008 -0.286 2.821) 2.836 14.218 ( -0.008 0.286 2.821) 2.836 14.383 ( 2.444 -0.651 -3.000) 3.924 14.383 ( 2.443 0.651 -3.000) 3.924 14.474 ( -1.368 -2.046 0.852) 2.605 14.474 ( -1.368 2.047 0.852) 2.605 14.557 ( -1.362 -1.011 2.258) 2.824 14.557 ( -1.363 1.011 2.258) 2.824 15.022 ( 3.878 -3.458 -0.499) 5.220 15.022 ( 3.878 3.458 -0.499) 5.220 15.093 ( 2.217 -3.689 -4.061) 5.918 15.093 ( 2.217 3.689 -4.061) 5.918 15.281 ( -2.803 -2.465 -4.777) 6.062 15.281 ( -2.803 2.465 -4.777) 6.062 15.829 ( 5.413 -7.389 1.626) 9.303 15.829 ( 5.413 7.389 1.626) 9.303 15.972 ( 2.376 -4.549 0.642) 5.173 15.972 ( 2.377 4.550 0.642) 5.173 16.328 ( 1.681 -2.802 1.562) 3.622 16.328 ( 1.681 2.802 1.562) 3.622 17.136 ( 11.792 -1.412 -3.910) 12.503 17.136 ( 11.792 1.412 -3.910) 12.503 17.576 ( -9.604 -4.687 -4.113) 11.451 17.576 ( -9.604 4.687 -4.113) 11.451 17.911 ( 10.554 -4.095 -1.952) 11.488 17.911 ( 10.554 4.096 -1.952) 11.488 18.780 ( -20.315 -8.580 -6.042) 22.865 18.780 ( -20.315 8.581 -6.042) 22.865 ======================= Grid point 87 (36/90) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.929 ( 0.000 -2.360 1.839) 2.992 3.929 ( 0.000 2.361 1.839) 2.992 4.099 ( 0.000 -12.522 3.026) 12.882 4.099 ( 0.000 12.522 3.026) 12.882 4.304 ( 0.000 -7.931 4.744) 9.241 4.304 ( 0.000 7.931 4.744) 9.241 4.843 ( 0.000 -0.288 14.459) 14.462 4.843 ( 0.000 0.288 14.459) 14.462 5.632 ( -0.000 -9.134 3.841) 9.909 5.632 ( 0.000 9.134 3.841) 9.909 5.931 ( 0.000 -5.547 -11.704) 12.952 5.931 ( 0.000 5.547 -11.704) 12.952 6.354 ( 0.000 -11.947 2.545) 12.215 6.354 ( 0.000 11.947 2.545) 12.215 6.425 ( 0.000 -4.008 4.928) 6.353 6.425 ( -0.000 4.009 4.928) 6.353 7.062 ( 0.000 -0.005 -3.150) 3.150 7.062 ( -0.000 0.005 -3.150) 3.150 7.179 ( 0.000 -8.795 -8.667) 12.348 7.179 ( 0.000 8.795 -8.667) 12.348 7.357 ( 0.000 -4.643 3.294) 5.693 7.357 ( 0.000 4.642 3.294) 5.692 7.366 ( -0.000 -5.232 -2.953) 6.008 7.366 ( -0.000 5.235 -2.953) 6.011 7.494 ( 0.000 -3.215 -1.267) 3.456 7.494 ( -0.000 3.216 -1.267) 3.456 7.912 ( -0.000 -1.357 6.099) 6.248 7.912 ( -0.000 1.357 6.099) 6.248 8.552 ( 0.000 -3.045 1.591) 3.436 8.552 ( 0.000 3.046 1.591) 3.437 9.121 ( 0.000 -13.311 -1.165) 13.362 9.121 ( 0.000 13.313 -1.165) 13.364 10.517 ( -0.000 -1.801 -8.881) 9.062 10.517 ( -0.000 1.801 -8.881) 9.062 10.848 ( 0.000 -1.192 -10.917) 10.982 10.848 ( 0.000 1.192 -10.917) 10.982 12.353 ( 0.000 -0.999 0.388) 1.072 12.353 ( 0.000 0.999 0.388) 1.072 12.386 ( 0.000 -0.717 -0.881) 1.136 12.386 ( 0.000 0.717 -0.881) 1.136 12.790 ( 0.000 -1.688 2.628) 3.124 12.790 ( 0.000 1.688 2.628) 3.124 13.237 ( 0.000 -2.884 3.777) 4.752 13.237 ( 0.000 2.884 3.777) 4.752 13.325 ( 0.000 -0.363 -0.749) 0.833 13.325 ( 0.000 0.363 -0.749) 0.833 13.433 ( 0.000 -2.113 2.317) 3.136 13.433 ( 0.000 2.113 2.317) 3.136 13.551 ( 0.000 -1.131 3.611) 3.784 13.551 ( 0.000 1.131 3.611) 3.784 13.625 ( 0.000 -2.484 1.337) 2.821 13.625 ( 0.000 2.484 1.337) 2.821 13.988 ( 0.000 -1.138 4.903) 5.034 13.988 ( 0.000 1.138 4.903) 5.034 14.144 ( 0.000 -0.845 1.202) 1.469 14.144 ( 0.000 0.845 1.202) 1.469 14.217 ( 0.000 -0.225 2.123) 2.135 14.217 ( 0.000 0.225 2.123) 2.135 14.404 ( 0.000 -0.882 -3.234) 3.352 14.404 ( 0.000 0.882 -3.234) 3.352 14.459 ( 0.000 -2.116 0.483) 2.170 14.459 ( 0.000 2.116 0.483) 2.170 14.546 ( 0.000 -1.778 2.806) 3.322 14.546 ( -0.000 1.778 2.806) 3.322 15.061 ( 0.000 -3.719 -0.334) 3.734 15.061 ( 0.000 3.719 -0.334) 3.734 15.103 ( 0.000 -3.330 -3.975) 5.185 15.103 ( 0.000 3.330 -3.975) 5.185 15.260 ( 0.000 -2.987 -5.430) 6.198 15.260 ( 0.000 2.988 -5.430) 6.198 15.892 ( 0.000 -10.211 5.109) 11.418 15.892 ( 0.000 10.211 5.109) 11.418 15.986 ( -0.000 -8.519 -1.098) 8.590 15.986 ( 0.000 8.520 -1.098) 8.590 16.350 ( -0.000 -3.409 0.290) 3.421 16.350 ( 0.000 3.409 0.290) 3.421 17.276 ( 0.000 -2.451 -3.149) 3.990 17.276 ( -0.000 2.451 -3.149) 3.990 17.457 ( 0.000 -4.667 -4.002) 6.148 17.457 ( 0.000 4.667 -4.003) 6.149 18.092 ( 0.000 -8.461 -3.559) 9.179 18.092 ( -0.000 8.461 -3.559) 9.179 18.506 ( -0.000 -3.548 -5.316) 6.392 18.506 ( 0.000 3.549 -5.316) 6.392 ======================= Grid point 110 (37/90) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.000 0.000 34.107) 34.107 1.830 ( 0.000 0.000 47.355) 47.355 2.738 ( 0.000 0.000 37.923) 37.923 3.058 ( 0.000 0.000 71.054) 71.054 3.449 ( 0.000 0.000 70.381) 70.381 3.826 ( 0.000 0.000 -11.654) 11.654 4.773 ( 0.000 0.000 19.803) 19.803 4.886 ( 0.000 0.000 -8.046) 8.046 5.004 ( 0.000 0.000 -21.744) 21.744 5.097 ( 0.000 0.000 2.458) 2.458 5.327 ( 0.000 0.000 -17.062) 17.062 5.848 ( 0.000 0.000 -15.609) 15.609 6.183 ( 0.000 0.000 6.634) 6.634 6.197 ( 0.000 0.000 -2.744) 2.744 6.470 ( 0.000 0.000 -6.949) 6.949 6.699 ( 0.000 0.000 -38.922) 38.922 7.067 ( 0.000 0.000 -21.822) 21.822 7.086 ( 0.000 0.000 -14.766) 14.766 7.356 ( 0.000 0.000 13.504) 13.504 7.435 ( 0.000 0.000 0.264) 0.264 7.515 ( 0.000 0.000 0.641) 0.641 7.570 ( 0.000 0.000 12.496) 12.496 7.756 ( 0.000 0.000 21.256) 21.256 7.864 ( 0.000 0.000 9.928) 9.928 7.991 ( 0.000 0.000 -0.164) 0.164 8.711 ( 0.000 0.000 1.506) 1.506 9.039 ( 0.000 0.000 -28.346) 28.346 9.084 ( 0.000 0.000 -13.261) 13.261 9.154 ( 0.000 0.000 0.676) 0.676 9.162 ( 0.000 0.000 -26.618) 26.618 9.440 ( 0.000 0.000 11.030) 11.030 9.447 ( 0.000 0.000 9.636) 9.636 10.129 ( 0.000 0.000 -14.329) 14.329 10.141 ( 0.000 0.000 -11.188) 11.188 10.587 ( 0.000 0.000 -7.882) 7.882 10.685 ( 0.000 0.000 -6.450) 6.450 12.494 ( 0.000 0.000 0.671) 0.671 12.603 ( 0.000 0.000 10.059) 10.059 12.623 ( 0.000 0.000 -2.166) 2.166 12.629 ( 0.000 0.000 1.081) 1.081 12.734 ( 0.000 0.000 11.726) 11.726 12.734 ( 0.000 0.000 -1.291) 1.291 12.970 ( 0.000 0.000 4.506) 4.506 13.088 ( 0.000 0.000 4.127) 4.127 13.436 ( 0.000 0.000 -0.152) 0.152 13.466 ( 0.000 0.000 2.196) 2.196 13.517 ( 0.000 0.000 -5.559) 5.559 13.596 ( 0.000 0.000 -2.612) 2.612 13.623 ( 0.000 0.000 0.193) 0.193 13.644 ( 0.000 0.000 3.531) 3.531 13.721 ( 0.000 0.000 2.191) 2.191 13.803 ( 0.000 0.000 -1.358) 1.358 13.893 ( 0.000 0.000 -5.764) 5.764 13.904 ( 0.000 0.000 4.536) 4.536 13.946 ( 0.000 0.000 -0.191) 0.191 13.956 ( 0.000 0.000 -2.099) 2.099 14.009 ( 0.000 0.000 0.569) 0.569 14.191 ( 0.000 0.000 0.760) 0.760 14.309 ( 0.000 0.000 3.742) 3.742 14.356 ( 0.000 0.000 -6.257) 6.257 14.427 ( 0.000 0.000 -0.723) 0.723 14.512 ( 0.000 0.000 12.923) 12.923 14.527 ( 0.000 0.000 -1.677) 1.677 14.622 ( 0.000 0.000 -1.776) 1.776 14.637 ( 0.000 0.000 -0.933) 0.933 14.723 ( 0.000 0.000 1.558) 1.558 14.779 ( 0.000 0.000 -2.327) 2.327 15.064 ( 0.000 0.000 1.516) 1.516 15.173 ( 0.000 0.000 1.882) 1.882 15.226 ( 0.000 0.000 -1.560) 1.560 15.330 ( 0.000 0.000 -5.274) 5.274 15.464 ( 0.000 0.000 -7.281) 7.281 15.571 ( 0.000 0.000 -6.890) 6.890 15.772 ( 0.000 0.000 2.197) 2.197 15.960 ( 0.000 0.000 -15.628) 15.628 16.281 ( 0.000 0.000 15.512) 15.512 16.412 ( 0.000 0.000 -5.320) 5.320 16.780 ( 0.000 0.000 -0.008) 0.008 17.431 ( 0.000 0.000 32.939) 32.939 17.892 ( 0.000 0.000 10.744) 10.744 18.545 ( 0.000 0.000 -43.725) 43.725 18.631 ( 0.000 0.000 -16.413) 16.413 18.995 ( 0.000 0.000 -10.812) 10.812 20.201 ( 0.000 0.000 -25.044) 25.044 ======================= Grid point 111 (38/90) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 21.559 0.000 30.929) 37.702 2.039 ( 20.374 0.000 40.498) 45.334 2.854 ( 13.250 0.000 37.038) 39.337 3.413 ( 33.375 0.000 62.408) 70.772 3.798 ( -2.536 0.000 -9.447) 9.782 3.825 ( 34.122 0.000 59.454) 68.550 4.600 ( -10.847 0.000 13.133) 17.033 4.827 ( -3.019 0.000 -1.625) 3.429 5.118 ( 9.035 0.000 -18.304) 20.412 5.319 ( 14.908 0.000 2.969) 15.201 5.367 ( 5.042 0.000 -23.197) 23.739 5.800 ( -4.141 0.000 -10.298) 11.099 6.097 ( -4.626 0.000 -4.762) 6.639 6.290 ( 4.634 0.000 5.560) 7.238 6.462 ( -0.822 0.000 -6.957) 7.005 6.657 ( -3.789 0.000 -35.970) 36.169 6.970 ( -9.337 0.000 -20.305) 22.349 7.130 ( 4.238 0.000 -13.134) 13.801 7.193 ( -18.513 0.000 1.451) 18.570 7.367 ( 0.148 0.000 14.023) 14.024 7.489 ( -8.260 0.000 13.833) 16.112 7.595 ( 2.164 0.000 -0.029) 2.164 7.664 ( -8.472 0.000 19.664) 21.412 7.810 ( -5.281 0.000 6.684) 8.519 7.978 ( -0.387 0.000 -0.190) 0.431 8.656 ( -5.576 0.000 0.160) 5.578 8.942 ( -14.849 0.000 5.244) 15.748 9.021 ( -8.387 0.000 -4.769) 9.648 9.095 ( -5.367 0.000 -20.112) 20.816 9.157 ( -2.051 0.000 -3.907) 4.413 9.345 ( 0.228 0.000 -15.576) 15.577 9.425 ( 1.482 0.000 -10.917) 11.017 10.226 ( 8.516 0.000 -9.909) 13.065 10.267 ( 9.353 0.000 -8.179) 12.424 10.492 ( -9.630 0.000 -6.651) 11.703 10.572 ( -11.410 0.000 -5.407) 12.627 12.430 ( -3.677 0.000 1.804) 4.096 12.531 ( -5.087 0.000 2.331) 5.596 12.602 ( -2.177 0.000 -2.235) 3.120 12.706 ( -2.876 0.000 -1.611) 3.296 12.719 ( 8.473 0.000 9.225) 12.526 12.865 ( 7.044 0.000 7.166) 10.049 12.968 ( 0.788 0.000 5.118) 5.179 13.078 ( -0.367 0.000 4.545) 4.560 13.429 ( -0.921 0.000 -1.142) 1.467 13.475 ( 0.233 0.000 -0.226) 0.324 13.497 ( -0.800 0.000 -1.788) 1.959 13.572 ( -0.896 0.000 -0.328) 0.954 13.609 ( -3.069 0.000 3.576) 4.712 13.652 ( 0.652 0.000 -2.302) 2.393 13.695 ( -2.918 0.000 3.170) 4.308 13.855 ( -3.514 0.000 -4.402) 5.633 13.862 ( 6.701 0.000 -1.072) 6.786 13.954 ( -0.024 0.000 -0.235) 0.236 13.966 ( 5.569 0.000 0.109) 5.570 14.016 ( 0.871 0.000 2.249) 2.411 14.024 ( 6.677 0.000 1.770) 6.908 14.281 ( 7.220 0.000 0.710) 7.254 14.295 ( -1.289 0.000 -2.924) 3.195 14.364 ( 1.221 0.000 -1.675) 2.072 14.461 ( 3.662 0.000 -0.224) 3.669 14.503 ( -1.029 0.000 10.000) 10.053 14.546 ( -3.568 0.000 -0.607) 3.619 14.573 ( 3.033 0.000 1.170) 3.250 14.695 ( 0.502 0.000 -0.226) 0.551 14.746 ( 4.215 0.000 -1.138) 4.366 14.811 ( 4.704 0.000 0.001) 4.704 15.004 ( -6.887 0.000 -0.963) 6.954 15.173 ( 2.521 0.000 1.663) 3.020 15.181 ( 0.965 0.000 0.716) 1.202 15.439 ( 3.520 0.000 -7.441) 8.231 15.485 ( 2.528 0.000 -5.885) 6.405 15.670 ( 9.613 0.000 -8.455) 12.803 15.827 ( 5.738 0.000 2.617) 6.306 15.881 ( -6.686 0.000 -14.400) 15.876 16.294 ( 0.791 0.000 16.016) 16.035 16.487 ( 6.218 0.000 -5.913) 8.581 16.823 ( 4.185 0.000 -0.171) 4.188 17.434 ( -0.070 0.000 27.687) 27.687 17.894 ( 0.166 0.000 10.059) 10.060 18.351 ( -17.808 0.000 -36.559) 40.666 18.552 ( -7.959 0.000 -16.105) 17.964 18.945 ( -5.133 0.000 -10.754) 11.916 20.062 ( -13.319 0.000 -22.469) 26.120 ======================= Grid point 112 (39/90) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 34.679 0.000 25.983) 43.334 2.570 ( 31.378 0.000 28.616) 42.467 3.273 ( 28.122 0.000 31.692) 42.370 3.748 ( -1.886 0.000 -3.996) 4.419 4.213 ( 42.503 0.000 38.481) 57.335 4.435 ( -5.450 0.000 6.591) 8.552 4.644 ( 43.819 0.000 39.864) 59.239 4.825 ( 5.982 0.000 10.524) 12.105 5.346 ( 14.898 0.000 -9.347) 17.588 5.469 ( -4.540 0.000 -13.062) 13.828 5.541 ( 12.127 0.000 -29.938) 32.301 5.783 ( 5.190 0.000 8.588) 10.034 6.014 ( -2.992 0.000 -10.719) 11.129 6.360 ( 2.425 0.000 5.803) 6.289 6.438 ( -1.288 0.000 -6.642) 6.766 6.547 ( -12.349 0.000 -15.414) 19.751 6.701 ( -15.461 0.000 -16.451) 22.576 6.836 ( -11.143 0.000 -9.856) 14.877 7.195 ( -13.554 0.000 11.293) 17.642 7.251 ( 2.106 0.000 -2.388) 3.184 7.272 ( -15.452 0.000 18.092) 23.792 7.545 ( -0.310 0.000 9.196) 9.201 7.569 ( -4.418 0.000 1.406) 4.636 7.665 ( -8.971 0.000 0.785) 9.005 8.011 ( 3.719 0.000 -0.397) 3.740 8.516 ( -7.320 0.000 -0.066) 7.321 8.543 ( -23.811 0.000 9.421) 25.607 8.652 ( -24.137 0.000 9.290) 25.863 8.998 ( -4.315 0.000 -10.573) 11.419 9.045 ( -8.405 0.000 -4.049) 9.330 9.525 ( 14.254 0.000 -29.534) 32.794 9.593 ( 13.328 0.000 -23.686) 27.178 10.212 ( -19.133 0.000 -3.313) 19.418 10.241 ( -21.186 0.000 -2.413) 21.323 10.400 ( 8.245 0.000 -8.568) 11.891 10.441 ( 7.568 0.000 -7.628) 10.745 12.375 ( -1.962 0.000 0.646) 2.065 12.455 ( -2.703 0.000 1.085) 2.913 12.537 ( -4.239 0.000 -2.049) 4.708 12.625 ( -5.140 0.000 -1.830) 5.456 12.885 ( 3.163 0.000 5.793) 6.600 12.916 ( 4.818 0.000 6.737) 8.283 12.996 ( -0.510 0.000 4.480) 4.509 13.148 ( 7.576 0.000 7.512) 10.669 13.392 ( -2.658 0.000 -2.712) 3.798 13.470 ( -0.743 0.000 -2.595) 2.700 13.498 ( 0.460 0.000 1.315) 1.394 13.542 ( -3.319 0.000 3.486) 4.814 13.565 ( -0.178 0.000 1.335) 1.347 13.633 ( -1.508 0.000 0.470) 1.580 13.636 ( -2.682 0.000 3.179) 4.160 13.776 ( -3.852 0.000 -2.008) 4.343 13.975 ( 2.289 0.000 3.978) 4.589 14.016 ( 7.777 0.000 -0.912) 7.830 14.043 ( 1.760 0.000 1.983) 2.651 14.095 ( 6.515 0.000 -1.435) 6.671 14.160 ( 6.181 0.000 1.094) 6.277 14.281 ( -0.487 0.000 -1.890) 1.952 14.364 ( -0.876 0.000 -0.632) 1.080 14.375 ( 0.618 0.000 1.283) 1.424 14.477 ( -1.463 0.000 6.660) 6.819 14.510 ( 0.537 0.000 0.029) 0.538 14.588 ( 8.781 0.000 -1.611) 8.928 14.639 ( 2.618 0.000 2.654) 3.729 14.683 ( -0.852 0.000 1.598) 1.811 14.867 ( 7.186 0.000 -4.193) 8.319 14.883 ( -3.774 0.000 -0.847) 3.868 14.962 ( 9.327 0.000 -1.022) 9.383 15.224 ( 3.841 0.000 -1.148) 4.009 15.243 ( 2.352 0.000 -0.468) 2.398 15.440 ( -2.585 0.000 -6.863) 7.334 15.571 ( 6.213 0.000 -5.086) 8.029 15.742 ( -6.330 0.000 -11.346) 12.993 15.898 ( 10.777 0.000 -1.639) 10.901 16.044 ( 18.441 0.000 -5.289) 19.184 16.303 ( 0.095 0.000 12.655) 12.655 16.593 ( 3.100 0.000 -0.286) 3.113 16.936 ( 6.844 0.000 -0.622) 6.873 17.432 ( 0.513 0.000 15.782) 15.790 17.898 ( 0.326 0.000 8.042) 8.049 17.941 ( -21.175 0.000 -22.271) 30.731 18.325 ( -14.662 0.000 -15.255) 21.159 18.800 ( -9.146 0.000 -9.116) 12.913 19.716 ( -20.727 0.000 -17.844) 27.350 ======================= Grid point 113 (40/90) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 41.849 0.000 21.160) 46.895 3.205 ( 31.129 0.000 19.146) 36.546 3.746 ( 2.116 0.000 1.362) 2.517 3.912 ( 35.469 0.000 26.095) 44.034 4.381 ( -0.498 0.000 0.316) 0.590 4.767 ( 10.974 0.000 7.061) 13.049 5.053 ( 20.320 0.000 5.675) 21.098 5.224 ( -17.344 0.000 -4.403) 17.894 5.547 ( 32.509 0.000 14.229) 35.487 5.763 ( 26.859 0.000 8.820) 28.270 5.808 ( -12.363 0.000 3.270) 12.789 5.851 ( 24.940 0.000 -11.361) 27.406 6.038 ( 7.587 0.000 -16.236) 17.921 6.048 ( -22.918 0.000 1.578) 22.972 6.412 ( 4.654 0.000 6.553) 8.038 6.448 ( 3.278 0.000 -5.840) 6.697 6.630 ( 2.652 0.000 -23.221) 23.372 6.778 ( -24.495 0.000 17.093) 29.869 6.780 ( 4.352 0.000 -3.364) 5.501 6.860 ( -23.050 0.000 18.575) 29.603 7.382 ( 7.251 0.000 -4.447) 8.506 7.433 ( -11.511 0.000 -8.582) 14.358 7.437 ( -8.871 0.000 4.060) 9.756 7.610 ( 2.897 0.000 8.068) 8.572 7.987 ( -19.765 0.000 3.851) 20.137 8.150 ( -15.389 0.000 2.538) 15.597 8.183 ( -8.329 0.000 2.296) 8.639 8.400 ( -4.642 0.000 1.452) 4.863 8.860 ( -9.708 0.000 -3.743) 10.405 8.900 ( -6.656 0.000 -5.259) 8.483 9.683 ( -32.513 0.000 2.145) 32.583 9.830 ( -20.603 0.000 0.551) 20.610 9.832 ( 15.884 0.000 -26.874) 31.217 9.883 ( 15.004 0.000 -22.880) 27.361 10.530 ( 4.484 0.000 -10.760) 11.657 10.550 ( 3.346 0.000 -11.003) 11.501 12.350 ( -0.712 0.000 -0.398) 0.816 12.417 ( -1.260 0.000 0.121) 1.266 12.445 ( -4.722 0.000 -1.225) 4.878 12.517 ( -5.360 0.000 -1.093) 5.470 12.862 ( -1.875 0.000 4.027) 4.442 12.954 ( -1.939 0.000 3.712) 4.188 13.094 ( 8.350 0.000 8.562) 11.960 13.288 ( 5.532 0.000 6.478) 8.518 13.333 ( -2.995 0.000 -2.482) 3.890 13.418 ( -4.220 0.000 -3.931) 5.768 13.490 ( -1.581 0.000 3.646) 3.975 13.520 ( 1.730 0.000 1.602) 2.358 13.571 ( 1.265 0.000 4.684) 4.851 13.592 ( -1.839 0.000 3.038) 3.551 13.629 ( 0.567 0.000 3.165) 3.215 13.715 ( -2.344 0.000 -0.844) 2.491 14.029 ( 2.761 0.000 6.778) 7.319 14.077 ( 1.444 0.000 1.670) 2.207 14.133 ( 3.485 0.000 0.683) 3.552 14.207 ( 4.870 0.000 -2.096) 5.302 14.258 ( -1.815 0.000 0.954) 2.051 14.259 ( 3.973 0.000 -1.655) 4.304 14.345 ( -2.243 0.000 2.104) 3.076 14.354 ( -0.214 0.000 0.973) 0.996 14.447 ( -1.320 0.000 5.190) 5.356 14.526 ( 0.424 0.000 0.823) 0.926 14.623 ( -3.703 0.000 0.031) 3.703 14.653 ( -1.164 0.000 -0.434) 1.242 14.786 ( 8.909 0.000 -1.337) 9.009 14.884 ( 3.215 0.000 0.599) 3.270 15.001 ( 5.864 0.000 -6.163) 8.507 15.150 ( 7.929 0.000 -0.683) 7.958 15.215 ( -4.203 0.000 -4.309) 6.019 15.340 ( 7.458 0.000 -0.699) 7.491 15.367 ( -4.045 0.000 -5.173) 6.567 15.677 ( 0.181 0.000 -5.225) 5.228 15.739 ( 11.239 0.000 -6.972) 13.226 16.089 ( 8.964 0.000 5.249) 10.388 16.298 ( -0.538 0.000 8.265) 8.282 16.513 ( 26.692 0.000 -11.876) 29.215 16.578 ( -4.426 0.000 6.779) 8.096 17.076 ( 6.888 0.000 -1.225) 6.996 17.441 ( -3.329 0.000 -3.540) 4.859 17.623 ( -6.269 0.000 -3.759) 7.309 17.908 ( -0.425 0.000 3.385) 3.411 17.995 ( -16.813 0.000 -12.753) 21.103 18.603 ( -10.274 0.000 -7.164) 12.524 19.271 ( -23.829 0.000 -14.751) 28.025 ======================= Grid point 114 (41/90) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( 43.941 0.000 16.213) 46.837 3.725 ( 19.553 0.000 11.119) 22.493 3.835 ( 6.416 0.000 3.743) 7.428 4.391 ( 0.888 0.000 -3.486) 3.598 4.631 ( 36.151 0.000 22.386) 42.521 4.859 ( -17.760 0.000 4.927) 18.431 4.960 ( 10.448 0.000 9.355) 14.024 5.173 ( -39.446 0.000 10.391) 40.792 5.318 ( 7.583 0.000 -8.480) 11.376 5.789 ( 4.900 0.000 -9.117) 10.351 5.891 ( -2.854 0.000 -10.434) 10.817 6.056 ( -9.822 0.000 7.888) 12.597 6.239 ( -7.876 0.000 -2.194) 8.176 6.274 ( -11.932 0.000 4.366) 12.706 6.317 ( 0.540 0.000 -8.152) 8.170 6.574 ( 9.201 0.000 -3.450) 9.827 6.606 ( 27.470 0.000 14.450) 31.039 6.760 ( 10.354 0.000 -15.302) 18.476 6.908 ( 32.737 0.000 12.354) 34.990 6.931 ( 8.558 0.000 7.131) 11.140 7.212 ( -13.638 0.000 4.244) 14.283 7.224 ( -5.842 0.000 -9.500) 11.152 7.519 ( -22.953 0.000 -0.820) 22.968 7.560 ( 12.724 0.000 2.563) 12.980 7.670 ( 3.783 0.000 5.891) 7.001 7.763 ( -15.186 0.000 -3.377) 15.557 8.273 ( -11.405 0.000 1.969) 11.573 8.281 ( 6.675 0.000 -0.360) 6.685 8.676 ( -8.565 0.000 -3.559) 9.275 8.706 ( -12.700 0.000 2.990) 13.047 8.969 ( -37.888 0.000 7.832) 38.689 9.495 ( -11.387 0.000 0.152) 11.388 10.115 ( 11.681 0.000 -20.394) 23.502 10.155 ( 11.922 0.000 -20.701) 23.888 10.556 ( -1.746 0.000 -15.117) 15.217 10.586 ( 0.436 0.000 -16.257) 16.263 12.342 ( -0.106 0.000 -0.956) 0.962 12.365 ( -3.045 0.000 -0.159) 3.049 12.401 ( -0.513 0.000 -0.260) 0.575 12.428 ( -3.359 0.000 0.075) 3.360 12.828 ( -1.321 0.000 4.329) 4.526 12.918 ( -1.426 0.000 4.128) 4.367 13.231 ( 5.073 0.000 7.478) 9.037 13.285 ( -1.717 0.000 -2.376) 2.931 13.339 ( -3.175 0.000 -2.707) 4.173 13.351 ( 1.105 0.000 4.263) 4.404 13.489 ( 1.198 0.000 4.890) 5.034 13.562 ( 2.336 0.000 1.588) 2.825 13.563 ( -1.168 0.000 3.038) 3.255 13.604 ( 1.659 0.000 5.943) 6.170 13.636 ( -0.070 0.000 4.063) 4.064 13.679 ( -1.376 0.000 -0.762) 1.573 14.073 ( 1.539 0.000 7.284) 7.445 14.094 ( 0.203 0.000 1.679) 1.691 14.168 ( 0.708 0.000 2.608) 2.703 14.223 ( -1.304 0.000 3.593) 3.822 14.277 ( 1.852 0.000 -3.205) 3.702 14.300 ( -0.661 0.000 1.121) 1.301 14.324 ( 1.226 0.000 -2.196) 2.515 14.343 ( -0.984 0.000 1.759) 2.016 14.428 ( -0.663 0.000 4.175) 4.228 14.532 ( 0.350 0.000 1.731) 1.766 14.552 ( -2.559 0.000 1.954) 3.220 14.631 ( -0.940 0.000 -0.040) 0.941 14.918 ( 4.248 0.000 -3.488) 5.496 14.952 ( 2.770 0.000 0.601) 2.835 15.088 ( -5.462 0.000 -7.149) 8.997 15.089 ( 2.982 0.000 -7.967) 8.507 15.223 ( -2.043 0.000 -4.716) 5.140 15.380 ( 5.199 0.000 6.060) 7.985 15.473 ( 5.024 0.000 1.521) 5.249 15.716 ( 2.670 0.000 -1.824) 3.234 16.006 ( 14.108 0.000 -9.811) 17.184 16.242 ( 6.137 0.000 7.519) 9.705 16.289 ( -0.168 0.000 4.710) 4.713 16.454 ( -6.840 0.000 6.829) 9.666 17.006 ( 20.480 0.000 -11.805) 23.639 17.190 ( 4.281 0.000 -1.771) 4.633 17.297 ( -6.498 0.000 -6.068) 8.891 17.613 ( -17.017 0.000 -12.496) 21.112 17.682 ( 6.253 0.000 -1.402) 6.408 17.998 ( 7.633 0.000 -0.839) 7.679 18.414 ( -8.224 0.000 -5.755) 10.038 18.790 ( -24.403 0.000 -13.071) 27.683 ======================= Grid point 115 (42/90) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.910 ( 0.000 0.000 2.384) 2.384 3.923 ( 0.000 0.000 7.046) 7.046 4.131 ( 0.000 0.000 7.412) 7.412 4.362 ( 0.000 0.000 15.232) 15.232 4.480 ( -0.000 0.000 -0.443) 0.443 4.690 ( -0.000 0.000 8.660) 8.660 5.090 ( -0.000 0.000 4.160) 4.160 5.199 ( 0.000 0.000 23.064) 23.064 5.360 ( -0.000 0.000 4.972) 4.972 5.710 ( 0.000 0.000 11.225) 11.225 5.847 ( 0.000 0.000 -5.117) 5.117 5.862 ( 0.000 0.000 -11.742) 11.742 5.988 ( -0.000 0.000 9.562) 9.562 6.177 ( -0.000 0.000 -9.927) 9.927 6.492 ( 0.000 0.000 -20.174) 20.174 6.736 ( 0.000 0.000 2.087) 2.087 6.806 ( -0.000 0.000 -17.239) 17.239 6.957 ( -0.000 0.000 -0.939) 0.939 7.008 ( -0.000 0.000 -3.023) 3.023 7.020 ( 0.000 0.000 6.493) 6.493 7.202 ( 0.000 0.000 -7.891) 7.891 7.259 ( -0.000 0.000 -0.296) 0.296 7.338 ( 0.000 0.000 8.660) 8.660 7.602 ( -0.000 0.000 -6.139) 6.139 7.862 ( -0.000 0.000 3.665) 3.665 7.872 ( 0.000 0.000 5.121) 5.121 8.097 ( 0.000 0.000 14.554) 14.554 8.146 ( -0.000 0.000 13.715) 13.715 8.374 ( -0.000 0.000 0.329) 0.329 8.565 ( 0.000 0.000 -4.234) 4.234 8.641 ( -0.000 0.000 6.439) 6.439 9.389 ( 0.000 0.000 -1.862) 1.862 10.242 ( -0.000 0.000 -15.155) 15.155 10.302 ( -0.000 0.000 -17.927) 17.927 10.512 ( 0.000 0.000 -20.016) 20.016 10.582 ( 0.000 0.000 -19.774) 19.774 12.334 ( 0.000 0.000 0.322) 0.322 12.342 ( 0.000 0.000 -1.123) 1.123 12.393 ( 0.000 0.000 0.623) 0.623 12.396 ( 0.000 0.000 -0.333) 0.333 12.815 ( 0.000 0.000 4.485) 4.485 12.903 ( 0.000 0.000 4.310) 4.310 13.268 ( 0.000 0.000 -2.513) 2.513 13.283 ( 0.000 0.000 6.919) 6.919 13.306 ( 0.000 0.000 -2.101) 2.101 13.357 ( 0.000 0.000 3.356) 3.356 13.508 ( 0.000 0.000 5.751) 5.751 13.548 ( 0.000 0.000 2.806) 2.806 13.596 ( -0.000 0.000 0.786) 0.786 13.621 ( 0.000 0.000 3.469) 3.469 13.628 ( -0.000 0.000 8.113) 8.113 13.665 ( 0.000 0.000 -0.948) 0.948 14.089 ( -0.000 0.000 6.933) 6.933 14.092 ( 0.000 0.000 0.935) 0.935 14.174 ( 0.000 0.000 3.010) 3.010 14.212 ( 0.000 0.000 5.355) 5.355 14.281 ( 0.000 0.000 1.712) 1.712 14.300 ( 0.000 0.000 -2.947) 2.947 14.328 ( 0.000 0.000 2.203) 2.203 14.339 ( 0.000 0.000 -3.305) 3.305 14.421 ( -0.000 0.000 3.604) 3.604 14.529 ( 0.000 0.000 3.516) 3.516 14.537 ( 0.000 0.000 1.762) 1.762 14.621 ( -0.000 0.000 -0.066) 0.066 14.959 ( 0.000 0.000 -4.096) 4.096 14.980 ( 0.000 0.000 0.550) 0.550 15.030 ( 0.000 0.000 -6.852) 6.852 15.119 ( 0.000 0.000 -8.703) 8.703 15.196 ( 0.000 0.000 -4.434) 4.434 15.442 ( 0.000 0.000 8.742) 8.742 15.524 ( 0.000 0.000 2.193) 2.193 15.749 ( 0.000 0.000 -0.020) 0.020 16.174 ( 0.000 0.000 -9.004) 9.004 16.292 ( 0.000 0.000 3.189) 3.189 16.313 ( 0.000 0.000 6.257) 6.257 16.369 ( 0.000 0.000 4.544) 4.544 17.221 ( -0.000 0.000 -9.449) 9.449 17.232 ( 0.000 0.000 -4.187) 4.187 17.234 ( 0.000 0.000 -2.098) 2.098 17.414 ( 0.000 0.000 -11.648) 11.648 17.760 ( 0.000 0.000 -3.179) 3.179 18.196 ( -0.000 0.000 -5.530) 5.530 18.321 ( 0.000 0.000 -5.122) 5.122 18.415 ( 0.000 0.000 -12.057) 12.057 ======================= Grid point 121 (43/90) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 49.051 16.404) 51.721 1.967 ( 0.000 12.147 44.680) 46.302 2.608 ( 0.000 -11.709 37.345) 39.137 3.131 ( 0.000 7.317 71.415) 71.789 3.239 ( 0.000 -18.193 44.245) 47.840 3.736 ( 0.000 -12.114 19.047) 22.573 4.709 ( 0.000 -2.239 12.562) 12.760 4.803 ( 0.000 -4.321 -7.785) 8.903 5.031 ( 0.000 1.771 -16.447) 16.542 5.150 ( 0.000 -1.159 4.810) 4.948 5.423 ( 0.000 11.114 -16.106) 19.568 5.831 ( 0.000 -2.415 -11.996) 12.237 6.135 ( 0.000 -3.624 1.823) 4.056 6.154 ( 0.000 -3.290 -5.698) 6.580 6.518 ( 0.000 4.633 -6.543) 8.017 6.759 ( 0.000 5.033 -34.936) 35.296 6.910 ( 0.000 -12.342 -10.696) 16.332 7.008 ( 0.000 -4.994 -23.729) 24.249 7.372 ( 0.000 1.599 10.808) 10.926 7.458 ( 0.000 -0.380 1.019) 1.088 7.545 ( 0.000 2.368 1.238) 2.672 7.592 ( 0.000 1.242 9.393) 9.475 7.760 ( 0.000 0.454 20.479) 20.484 7.825 ( 0.000 -2.470 11.534) 11.796 8.121 ( 0.000 10.695 -0.963) 10.738 8.611 ( 0.000 -8.665 -1.005) 8.724 9.062 ( 0.000 1.420 -23.521) 23.564 9.085 ( 0.000 0.060 -14.100) 14.100 9.230 ( 0.000 5.099 -6.308) 8.111 9.232 ( 0.000 4.923 -24.991) 25.472 9.455 ( 0.000 0.864 7.462) 7.512 9.459 ( 0.000 1.569 5.942) 6.146 10.131 ( 0.000 0.173 -13.801) 13.802 10.140 ( 0.000 -0.142 -11.599) 11.600 10.604 ( 0.000 1.409 -7.761) 7.887 10.672 ( 0.000 -1.198 -6.656) 6.763 12.514 ( 0.000 1.798 0.615) 1.900 12.605 ( 0.000 -1.231 1.809) 2.188 12.631 ( 0.000 1.516 9.344) 9.466 12.636 ( 0.000 1.212 -1.913) 2.265 12.714 ( 0.000 -1.750 -1.219) 2.133 12.718 ( 0.000 -1.423 11.483) 11.571 12.987 ( 0.000 1.545 4.167) 4.444 13.070 ( 0.000 -1.615 3.991) 4.305 13.426 ( 0.000 -0.576 0.365) 0.682 13.450 ( 0.000 -1.242 1.807) 2.192 13.541 ( 0.000 1.898 -4.799) 5.161 13.590 ( 0.000 -0.525 -2.549) 2.602 13.645 ( 0.000 2.297 -0.080) 2.299 13.658 ( 0.000 1.140 3.356) 3.544 13.719 ( 0.000 -0.207 2.216) 2.226 13.864 ( 0.000 2.680 -3.118) 4.111 13.877 ( 0.000 -2.755 3.428) 4.398 13.890 ( 0.000 2.731 -1.792) 3.266 13.899 ( 0.000 -4.246 -1.427) 4.480 13.963 ( 0.000 1.317 -2.204) 2.567 14.003 ( 0.000 -0.408 -3.437) 3.461 14.170 ( 0.000 -3.017 2.006) 3.623 14.298 ( 0.000 -2.934 -3.021) 4.212 14.300 ( 0.000 -0.759 3.632) 3.710 14.461 ( 0.000 2.264 -0.729) 2.378 14.538 ( 0.000 0.715 -2.039) 2.160 14.598 ( 0.000 5.054 7.862) 9.346 14.609 ( 0.000 -2.018 -1.293) 2.397 14.640 ( 0.000 1.706 -1.927) 2.574 14.719 ( 0.000 -0.369 1.495) 1.539 14.791 ( 0.000 2.781 2.586) 3.797 15.070 ( 0.000 -0.175 0.336) 0.379 15.185 ( 0.000 -0.862 1.290) 1.552 15.243 ( 0.000 -7.227 2.689) 7.711 15.278 ( 0.000 6.523 -0.629) 6.553 15.470 ( 0.000 0.544 -7.476) 7.495 15.542 ( 0.000 -2.072 -7.037) 7.336 15.674 ( 0.000 -8.162 2.166) 8.444 16.037 ( 0.000 6.327 -14.239) 15.582 16.303 ( 0.000 -2.199 -0.529) 2.261 16.397 ( 0.000 2.815 8.949) 9.382 16.695 ( 0.000 -6.935 6.573) 9.555 17.525 ( 0.000 7.653 25.817) 26.927 17.842 ( 0.000 -4.708 12.278) 13.150 18.529 ( 0.000 -3.954 -24.695) 25.010 18.530 ( 0.000 -1.315 -41.808) 41.829 19.326 ( 0.000 23.062 -16.440) 28.322 20.099 ( 0.000 -9.651 -25.358) 27.133 ======================= Grid point 122 (44/90) ======================= q-point: ( 0.10 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 11.612 43.050 18.308) 48.201 2.160 ( 19.003 10.963 38.912) 44.671 2.727 ( 13.518 -11.123 36.720) 40.680 3.397 ( 8.046 -25.681 13.274) 30.008 3.496 ( 33.879 7.817 61.451) 70.605 3.937 ( 25.045 -3.149 41.995) 48.998 4.607 ( -6.837 1.915 10.270) 12.486 4.780 ( -1.784 -3.894 -0.095) 4.285 5.130 ( 8.137 0.858 -15.773) 17.769 5.234 ( 8.025 -4.490 -7.368) 11.783 5.491 ( 5.096 8.678 -14.497) 17.647 5.796 ( -3.116 -1.596 -8.974) 9.632 6.068 ( -3.294 -0.947 -5.867) 6.795 6.235 ( 4.690 -4.742 3.316) 7.448 6.521 ( 0.094 5.260 -7.219) 8.933 6.696 ( -5.123 2.833 -32.050) 32.580 6.925 ( -7.955 -3.777 -21.745) 23.460 6.968 ( 4.804 -10.684 -10.234) 15.556 7.267 ( -15.851 4.687 0.215) 16.530 7.373 ( -1.612 0.392 11.542) 11.660 7.481 ( -7.584 -0.305 11.910) 14.123 7.570 ( -3.803 -2.765 3.592) 5.917 7.680 ( -6.639 1.271 16.718) 18.033 7.765 ( -5.535 -2.749 8.604) 10.593 8.129 ( 1.016 11.512 -1.202) 11.619 8.585 ( -2.876 -6.753 -0.832) 7.387 8.964 ( -15.058 1.574 5.010) 15.947 9.015 ( -10.894 -0.602 -0.120) 10.912 9.148 ( -5.789 4.061 -22.834) 23.904 9.189 ( -3.092 2.311 -10.917) 11.579 9.373 ( -0.067 2.186 -15.285) 15.441 9.425 ( 0.485 -0.047 -11.408) 11.418 10.232 ( 8.583 0.538 -9.578) 12.872 10.261 ( 9.172 -0.539 -8.361) 12.423 10.505 ( -9.904 1.151 -6.558) 11.934 10.561 ( -11.158 -1.000 -5.608) 12.528 12.446 ( -3.929 1.355 1.880) 4.562 12.517 ( -4.929 -1.286 2.253) 5.570 12.615 ( -2.233 1.157 -2.063) 3.252 12.687 ( -2.688 -1.623 -1.521) 3.489 12.745 ( 8.583 2.320 8.964) 12.626 12.852 ( 8.146 -1.444 7.657) 11.273 12.978 ( -0.420 1.083 4.549) 4.695 13.057 ( -0.764 -1.773 4.314) 4.727 13.432 ( 0.181 0.221 -0.488) 0.565 13.464 ( 0.872 -1.006 0.463) 1.410 13.517 ( -1.532 1.900 -2.626) 3.585 13.569 ( -1.077 -0.317 -0.715) 1.331 13.622 ( -3.121 1.096 3.403) 4.745 13.664 ( 0.052 1.256 -1.034) 1.628 13.684 ( -2.793 -0.686 2.333) 3.703 13.831 ( -3.033 -2.724 -3.231) 5.201 13.901 ( 3.264 2.103 -1.354) 4.112 13.934 ( 3.518 -0.373 0.016) 3.538 13.956 ( 2.918 -1.264 0.867) 3.296 13.993 ( 3.916 -0.362 -1.066) 4.074 14.050 ( 5.403 1.932 0.216) 5.742 14.241 ( 5.108 -3.607 0.982) 6.329 14.298 ( 1.525 0.385 -1.926) 2.486 14.345 ( 2.297 -1.484 -0.581) 2.796 14.482 ( 2.221 1.840 0.018) 2.884 14.534 ( -2.533 1.342 2.671) 3.918 14.567 ( 0.852 0.031 0.797) 1.167 14.604 ( -0.006 4.046 4.393) 5.973 14.665 ( 2.471 -2.567 -0.661) 3.624 14.716 ( 0.431 -0.898 0.356) 1.058 14.840 ( 3.916 2.090 0.354) 4.453 14.985 ( -6.800 -2.045 -0.608) 7.127 15.185 ( 3.852 1.402 2.436) 4.768 15.233 ( 1.562 3.264 1.250) 3.828 15.419 ( 4.474 -0.672 -5.590) 7.192 15.502 ( 3.931 1.586 -4.962) 6.525 15.580 ( 3.305 -5.365 -8.854) 10.868 15.737 ( 5.806 -7.250 2.455) 9.607 16.021 ( 0.195 9.688 -12.754) 16.017 16.352 ( 3.043 2.111 9.111) 9.835 16.432 ( 4.009 -2.123 -0.816) 4.609 16.729 ( 3.299 -7.702 5.702) 10.135 17.525 ( -0.081 7.521 22.234) 23.472 17.843 ( 0.079 -4.774 11.317) 12.283 18.346 ( -16.653 -0.324 -34.441) 38.257 18.426 ( -9.894 -6.070 -21.675) 24.587 19.244 ( -7.909 20.854 -14.726) 26.726 19.963 ( -13.009 -9.373 -22.257) 27.431 ======================= Grid point 123 (45/90) ======================= q-point: ( 0.20 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 24.796 30.357 19.317) 43.698 2.665 ( 30.273 8.636 28.499) 42.464 3.144 ( 27.285 -10.994 30.149) 42.123 3.483 ( 3.347 -22.786 2.183) 23.134 4.303 ( 42.506 8.245 37.447) 57.245 4.508 ( -2.488 5.911 6.962) 9.466 4.674 ( 41.008 0.130 38.078) 55.961 4.791 ( 8.153 -3.794 12.560) 15.447 5.339 ( 13.642 -0.294 -9.702) 16.743 5.429 ( 6.735 -4.114 -16.232) 18.049 5.502 ( -1.281 -0.208 -20.640) 20.681 5.733 ( -4.443 -6.361 -4.286) 8.864 6.060 ( 3.819 6.098 -2.335) 7.564 6.316 ( 3.393 -3.544 4.878) 6.918 6.513 ( -1.137 6.507 -9.503) 11.573 6.580 ( -7.419 2.664 -18.790) 20.376 6.736 ( -9.107 -1.354 -17.940) 20.165 6.894 ( -18.310 8.190 -4.836) 20.633 7.077 ( 5.676 -11.790 -7.930) 15.300 7.208 ( -16.667 -0.105 16.891) 23.730 7.264 ( -15.877 -0.563 18.384) 24.297 7.441 ( -5.804 -8.209 3.994) 10.818 7.587 ( -2.906 0.448 5.510) 6.245 7.631 ( -7.475 -1.915 1.787) 7.921 8.166 ( 2.299 11.020 -1.018) 11.304 8.487 ( -8.128 -2.911 0.766) 8.667 8.563 ( -23.166 1.757 9.504) 25.102 8.655 ( -20.845 -0.655 8.990) 22.710 9.013 ( -6.136 1.613 -10.868) 12.584 9.057 ( -8.762 0.725 -6.508) 10.938 9.538 ( 13.579 1.139 -28.264) 31.378 9.586 ( 13.165 -0.686 -24.307) 27.652 10.213 ( -19.313 0.142 -3.118) 19.564 10.233 ( -20.764 -0.637 -2.462) 20.919 10.409 ( 7.906 0.714 -8.490) 11.623 10.437 ( 7.470 -0.374 -7.818) 10.820 12.386 ( -2.099 1.033 0.703) 2.443 12.443 ( -2.624 -1.077 1.013) 3.012 12.548 ( -4.317 1.025 -1.959) 4.850 12.610 ( -4.923 -1.290 -1.766) 5.387 12.901 ( 1.778 1.343 4.994) 5.468 12.935 ( 4.909 1.343 6.201) 8.021 12.991 ( 0.731 0.045 5.448) 5.497 13.111 ( 7.232 -3.153 7.622) 10.970 13.413 ( -2.330 1.565 -2.727) 3.913 13.466 ( -1.030 -0.639 -2.596) 2.865 13.506 ( 0.379 0.947 1.246) 1.611 13.549 ( -1.701 0.068 2.511) 3.034 13.560 ( -2.126 0.269 2.151) 3.036 13.625 ( -2.714 -1.215 3.206) 4.373 13.646 ( -1.119 1.505 0.917) 2.087 13.761 ( -3.391 -1.757 -1.534) 4.115 13.959 ( 3.202 -0.704 2.929) 4.396 14.009 ( 2.539 -2.303 1.643) 3.801 14.051 ( 6.956 2.193 -0.639) 7.321 14.102 ( 6.082 0.105 -2.142) 6.449 14.166 ( 4.892 1.313 1.253) 5.218 14.284 ( 0.426 -0.299 -1.571) 1.655 14.349 ( 0.596 -1.678 0.891) 1.991 14.355 ( -0.726 -0.931 -0.403) 1.248 14.484 ( -0.039 1.693 5.031) 5.308 14.575 ( -0.577 3.935 0.247) 3.985 14.597 ( 4.009 -1.277 2.993) 5.163 14.624 ( 5.146 1.675 -1.279) 5.561 14.693 ( -0.367 0.228 2.210) 2.252 14.798 ( 6.668 -5.163 -4.073) 9.365 14.890 ( -1.150 0.273 -0.530) 1.295 14.935 ( 5.629 -1.846 -1.357) 6.077 15.264 ( 2.373 2.103 -0.565) 3.221 15.294 ( 4.314 3.977 -1.015) 5.955 15.433 ( -1.216 0.515 -7.515) 7.630 15.613 ( 6.220 2.072 -4.310) 7.846 15.633 ( 2.160 -4.812 -9.326) 10.715 15.874 ( 7.566 -5.590 3.449) 10.020 16.135 ( 12.107 9.149 -9.732) 18.027 16.394 ( 2.178 7.013 11.276) 13.456 16.523 ( 3.316 -5.733 -0.768) 6.667 16.825 ( 6.478 -9.224 1.995) 11.447 17.527 ( 0.527 7.613 13.384) 15.406 17.843 ( -0.713 -4.837 7.401) 8.870 17.966 ( -18.775 2.062 -19.955) 27.477 18.181 ( -14.122 -8.796 -15.767) 22.921 19.033 ( -12.952 16.667 -12.019) 24.290 19.628 ( -19.913 -8.190 -17.286) 27.611 ======================= Grid point 124 (46/90) ======================= q-point: ( 0.30 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 34.432 17.273 17.685) 42.387 3.284 ( 30.550 7.213 19.251) 36.823 3.573 ( 8.415 -15.431 5.158) 18.318 3.752 ( 29.957 -11.812 20.723) 38.293 4.521 ( 4.632 9.645 5.500) 12.030 4.771 ( 8.225 -0.704 7.440) 11.113 5.111 ( 21.545 6.174 3.311) 22.656 5.206 ( -16.432 0.334 -3.827) 16.875 5.508 ( 1.549 -8.583 -2.821) 9.167 5.569 ( 6.380 -12.030 4.931) 14.483 5.747 ( 31.222 1.188 9.942) 32.789 5.814 ( 29.526 -1.185 -0.300) 29.551 6.162 ( 2.450 9.153 -7.128) 11.857 6.340 ( -8.658 14.954 -0.823) 17.299 6.384 ( 5.162 -2.212 5.672) 7.982 6.499 ( 0.755 5.174 -7.087) 8.807 6.666 ( 1.271 1.660 -17.203) 17.329 6.725 ( 0.525 -2.123 -8.377) 8.657 6.787 ( -23.516 0.724 16.145) 28.534 6.858 ( -22.156 -0.119 17.344) 28.138 7.196 ( 5.009 -13.754 -4.757) 15.391 7.322 ( -6.438 -10.206 3.448) 12.550 7.447 ( -9.512 1.476 -6.494) 11.611 7.574 ( -0.440 -3.138 4.770) 5.726 8.018 ( -23.314 2.037 4.916) 23.913 8.119 ( -23.654 -2.784 4.062) 24.161 8.285 ( 1.335 8.094 0.940) 8.257 8.441 ( -4.631 2.050 1.484) 5.278 8.879 ( -7.956 1.649 -3.786) 8.964 8.915 ( -6.034 0.837 -5.578) 8.260 9.683 ( -29.088 0.173 0.367) 29.091 9.761 ( -11.455 -3.432 -8.370) 14.596 9.874 ( 6.392 1.319 -17.855) 19.010 9.891 ( 10.975 0.510 -20.844) 23.562 10.534 ( 4.288 0.335 -10.817) 11.641 10.548 ( 3.480 -0.206 -10.982) 11.522 12.359 ( -0.810 0.840 -0.342) 1.216 12.407 ( -1.195 -0.947 0.023) 1.525 12.455 ( -4.780 0.890 -1.177) 5.003 12.506 ( -5.219 -1.002 -1.076) 5.422 12.875 ( -1.910 1.205 3.936) 4.538 12.940 ( -1.943 -1.223 3.725) 4.376 13.120 ( 8.044 2.309 8.332) 11.809 13.254 ( 6.131 -2.775 6.688) 9.488 13.352 ( -3.304 1.410 -2.464) 4.356 13.409 ( -4.202 -0.853 -3.761) 5.703 13.499 ( -1.721 0.819 3.267) 3.782 13.532 ( 1.570 1.135 2.054) 2.824 13.554 ( 0.104 -1.324 3.461) 3.707 13.585 ( -0.566 -0.764 3.586) 3.710 13.643 ( 0.408 1.342 3.365) 3.646 13.710 ( -1.858 -0.713 -0.202) 2.000 14.025 ( 3.267 -0.251 5.944) 6.787 14.056 ( 2.131 -1.547 2.261) 3.471 14.161 ( 2.979 2.330 0.596) 3.828 14.204 ( 4.328 -0.167 -1.861) 4.714 14.227 ( 1.073 -0.860 -0.328) 1.414 14.288 ( 0.790 0.225 -0.535) 0.980 14.320 ( -1.848 -1.309 2.328) 3.248 14.349 ( -0.206 -0.591 0.693) 0.934 14.479 ( -0.973 2.559 4.173) 4.991 14.548 ( -1.404 1.524 1.979) 2.865 14.607 ( -1.668 -1.064 -0.016) 1.979 14.650 ( -2.283 -0.653 0.487) 2.424 14.799 ( 8.487 1.517 -2.841) 9.077 14.892 ( 4.194 0.325 -0.695) 4.264 14.967 ( 5.804 -2.412 -4.540) 7.753 15.064 ( 6.652 -5.237 -0.322) 8.473 15.231 ( -4.812 1.433 -4.858) 6.986 15.312 ( -3.871 -1.751 -4.807) 6.416 15.497 ( 8.755 8.039 -2.699) 12.189 15.676 ( 3.819 -0.475 -5.798) 6.959 15.781 ( 9.869 3.817 -4.555) 11.520 16.028 ( 7.704 -5.282 5.193) 10.688 16.325 ( 2.387 2.598 5.112) 6.211 16.518 ( -1.692 -4.528 6.101) 7.784 16.589 ( 18.478 6.239 -7.577) 20.923 16.976 ( 8.158 -8.412 -2.460) 11.974 17.526 ( -4.498 6.708 -3.605) 8.844 17.647 ( -6.626 2.135 -3.245) 7.680 17.868 ( -1.668 -3.412 1.770) 4.191 17.900 ( -10.512 -6.749 -8.891) 15.333 18.754 ( -14.734 11.675 -9.675) 21.142 19.202 ( -22.835 -6.458 -14.204) 27.657 ======================= Grid point 125 (47/90) ======================= q-point: ( 0.40 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.448 ( 38.221 6.351 13.998) 41.196 3.770 ( 13.150 -3.310 6.427) 15.006 3.800 ( 17.882 4.134 9.500) 20.666 4.216 ( 12.979 -11.587 4.781) 18.044 4.773 ( 18.853 7.925 14.726) 25.202 4.817 ( -14.733 -1.545 4.686) 15.537 4.950 ( -1.089 -2.719 7.987) 8.507 5.042 ( -18.927 -7.464 10.130) 22.728 5.384 ( 5.981 5.585 -10.582) 13.377 5.725 ( 2.592 -7.477 -13.655) 15.783 6.050 ( -2.517 14.250 -4.573) 15.176 6.119 ( -9.220 5.798 8.827) 14.019 6.262 ( -17.282 0.503 9.063) 19.520 6.282 ( -16.664 0.173 8.741) 18.818 6.380 ( 13.245 2.160 -16.101) 20.960 6.559 ( 6.989 1.490 -5.939) 9.292 6.720 ( 26.833 7.841 15.537) 31.983 6.784 ( 12.630 1.013 -9.990) 16.135 6.809 ( 11.863 -3.852 2.454) 12.712 6.918 ( 25.126 -1.478 7.178) 26.173 7.125 ( -6.564 -7.354 1.657) 9.996 7.276 ( -5.642 3.915 -6.007) 9.124 7.371 ( 10.148 -14.539 1.879) 17.829 7.524 ( -13.534 -1.688 -0.350) 13.643 7.589 ( -8.067 -4.319 2.488) 9.483 7.701 ( -15.818 -5.218 -2.663) 16.868 8.308 ( -8.954 3.439 1.717) 9.744 8.346 ( -1.200 3.105 2.306) 4.050 8.718 ( -12.724 2.575 -0.772) 13.004 8.732 ( -10.033 1.930 1.463) 10.321 9.043 ( -29.576 7.056 5.560) 30.910 9.421 ( -12.173 -6.685 0.400) 13.894 10.125 ( 11.454 0.801 -20.131) 23.175 10.153 ( 11.714 -0.251 -20.555) 23.660 10.561 ( -1.394 0.461 -15.292) 15.362 10.583 ( 0.159 -0.341 -16.091) 16.095 12.350 ( -0.230 0.677 -0.869) 1.126 12.375 ( -3.012 0.826 -0.135) 3.126 12.391 ( -0.512 -0.850 -0.374) 1.061 12.419 ( -3.237 -0.812 0.037) 3.337 12.841 ( -1.331 1.171 4.299) 4.650 12.905 ( -1.402 -1.189 4.153) 4.542 13.250 ( 4.697 1.700 7.242) 8.798 13.295 ( -1.886 0.869 -2.475) 3.231 13.331 ( -2.205 -0.802 -1.341) 2.702 13.342 ( 1.369 -1.030 3.647) 4.029 13.484 ( 0.343 0.000 4.525) 4.538 13.539 ( -0.870 -1.780 3.224) 3.784 13.574 ( 2.203 0.934 1.753) 2.966 13.606 ( 1.606 -0.162 4.442) 4.727 13.648 ( -0.121 1.044 4.417) 4.540 13.680 ( -1.209 -0.009 -0.080) 1.212 14.078 ( 1.866 0.258 6.954) 7.204 14.087 ( 0.873 -0.484 2.972) 3.135 14.179 ( -0.020 1.030 2.847) 3.028 14.211 ( -1.423 -0.592 2.539) 2.970 14.269 ( 1.630 -0.755 -1.675) 2.456 14.288 ( -0.729 -1.680 2.175) 2.843 14.323 ( 0.798 0.785 -2.273) 2.534 14.345 ( 0.302 -0.153 0.313) 0.461 14.455 ( -1.283 2.147 3.252) 4.103 14.524 ( -0.823 -0.563 2.343) 2.546 14.567 ( -1.451 1.150 1.262) 2.241 14.622 ( -0.858 -0.899 0.676) 1.415 14.923 ( 3.880 0.827 -4.344) 5.883 14.968 ( 2.939 1.393 -0.120) 3.255 15.052 ( 2.528 -2.790 -6.834) 7.802 15.097 ( -3.900 -0.039 -6.682) 7.737 15.198 ( 1.409 -2.808 -1.677) 3.562 15.241 ( -0.605 -4.637 -0.019) 4.676 15.662 ( 5.866 9.933 1.334) 11.613 15.770 ( 5.477 4.512 -1.287) 7.212 15.990 ( 9.719 -1.294 -7.104) 12.107 16.159 ( 5.054 -6.268 6.855) 10.575 16.331 ( -0.571 2.669 5.263) 5.928 16.438 ( -3.921 -1.585 5.936) 7.288 16.997 ( 18.122 -0.188 -10.429) 20.910 17.119 ( 5.887 -4.815 -4.092) 8.636 17.371 ( -6.604 4.816 -6.028) 10.156 17.540 ( -10.880 -3.642 -9.174) 14.690 17.771 ( 3.983 5.096 -2.509) 6.937 17.963 ( 7.872 -3.135 -0.784) 8.509 18.478 ( -12.301 5.586 -7.601) 15.501 18.742 ( -23.086 -4.348 -12.464) 26.593 ======================= Grid point 126 (48/90) ======================= q-point: (-0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.927 ( 0.000 2.009 3.346) 3.903 3.993 ( 0.000 6.056 5.730) 8.337 4.080 ( 0.000 -4.127 6.397) 7.613 4.366 ( 0.000 1.108 12.946) 12.993 4.373 ( -0.000 -8.844 0.824) 8.882 4.594 ( -0.000 -7.595 8.062) 11.076 5.151 ( 0.000 4.040 12.331) 12.976 5.205 ( 0.000 0.409 23.152) 23.156 5.413 ( -0.000 5.143 -2.033) 5.530 5.743 ( 0.000 -6.988 -12.990) 14.751 5.787 ( 0.000 5.847 10.756) 12.242 5.951 ( -0.000 -0.736 10.283) 10.310 6.055 ( 0.000 12.169 -3.848) 12.763 6.227 ( 0.000 5.004 -8.842) 10.159 6.598 ( -0.000 5.708 -20.392) 21.176 6.608 ( 0.000 -8.068 -3.807) 8.921 6.848 ( -0.000 -7.403 10.079) 12.506 6.944 ( 0.000 4.991 -9.879) 11.068 6.990 ( -0.000 -0.161 -4.572) 4.575 7.046 ( 0.000 6.848 -2.492) 7.287 7.209 ( 0.000 -5.055 -3.536) 6.169 7.219 ( -0.000 2.138 -8.462) 8.728 7.407 ( 0.000 3.664 8.279) 9.053 7.473 ( 0.000 -9.279 -6.939) 11.586 7.703 ( 0.000 -11.634 3.860) 12.257 7.815 ( 0.000 -10.005 9.857) 14.045 8.019 ( 0.000 1.221 10.535) 10.605 8.120 ( -0.000 -1.653 12.530) 12.639 8.482 ( 0.000 6.974 2.027) 7.262 8.631 ( 0.000 0.051 4.086) 4.086 8.796 ( 0.000 14.708 -0.326) 14.711 9.313 ( 0.000 -7.138 -1.572) 7.309 10.252 ( -0.000 0.826 -15.509) 15.531 10.294 ( -0.000 -0.746 -17.496) 17.512 10.525 ( 0.000 1.116 -19.940) 19.971 10.574 ( 0.000 -0.739 -19.768) 19.782 12.341 ( 0.000 0.641 0.113) 0.651 12.351 ( 0.000 0.775 -0.784) 1.102 12.382 ( 0.000 -0.914 0.227) 0.941 12.390 ( 0.000 -0.638 -0.128) 0.651 12.827 ( 0.000 1.162 4.472) 4.621 12.890 ( 0.000 -1.168 4.342) 4.497 13.275 ( 0.000 0.544 -2.424) 2.485 13.292 ( 0.000 0.406 3.444) 3.468 13.308 ( 0.000 0.601 0.994) 1.162 13.358 ( 0.000 -0.214 3.811) 3.817 13.495 ( 0.000 -0.811 5.496) 5.556 13.528 ( 0.000 -1.580 3.177) 3.549 13.604 ( -0.000 0.639 1.024) 1.207 13.624 ( 0.000 0.031 3.528) 3.528 13.641 ( -0.000 1.103 6.728) 6.818 13.666 ( 0.000 0.092 -0.469) 0.478 14.093 ( 0.000 0.152 2.494) 2.499 14.096 ( -0.000 0.498 6.863) 6.881 14.179 ( 0.000 0.397 3.232) 3.256 14.196 ( 0.000 -0.891 4.279) 4.371 14.273 ( 0.000 -0.693 1.717) 1.852 14.288 ( 0.000 -2.161 1.006) 2.384 14.323 ( -0.000 1.491 -1.944) 2.450 14.355 ( 0.000 0.220 -1.797) 1.810 14.439 ( -0.000 1.720 2.785) 3.274 14.518 ( 0.000 -1.070 2.839) 3.034 14.555 ( 0.000 1.455 1.792) 2.308 14.613 ( -0.000 -0.738 0.598) 0.949 14.958 ( 0.000 0.459 -4.741) 4.763 14.997 ( 0.000 1.584 -0.046) 1.585 15.052 ( 0.000 1.481 -7.072) 7.225 15.075 ( 0.000 -3.368 -7.099) 7.858 15.190 ( 0.000 -0.761 -4.876) 4.935 15.266 ( 0.000 -7.925 5.216) 9.488 15.714 ( 0.000 9.432 0.693) 9.457 15.843 ( 0.000 8.509 3.874) 9.349 16.088 ( -0.000 -7.341 -7.603) 10.569 16.214 ( 0.000 -6.446 8.245) 10.465 16.317 ( -0.000 2.250 3.085) 3.819 16.407 ( 0.000 0.388 2.765) 2.792 17.181 ( 0.000 -1.288 -4.218) 4.410 17.209 ( -0.000 -1.043 -8.689) 8.752 17.293 ( 0.000 2.628 -4.403) 5.127 17.395 ( 0.000 -1.736 -10.369) 10.513 17.844 ( 0.000 7.000 -3.671) 7.904 18.145 ( -0.000 -4.706 -5.251) 7.051 18.334 ( 0.000 1.206 -6.331) 6.444 18.401 ( 0.000 -1.279 -11.195) 11.268 ======================= Grid point 132 (49/90) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 0.000 -16.107 39.962) 43.086 2.286 ( 0.000 16.107 39.962) 43.086 2.648 ( 0.000 -38.886 12.744) 40.921 2.648 ( 0.000 38.886 12.744) 40.921 3.380 ( 0.000 -16.365 61.013) 63.169 3.380 ( 0.000 16.365 61.013) 63.169 4.730 ( 0.000 -2.849 1.257) 3.114 4.730 ( 0.000 2.849 1.257) 3.114 5.082 ( 0.000 -3.387 -7.471) 8.203 5.082 ( 0.000 3.387 -7.471) 8.203 5.690 ( 0.000 -11.269 -7.436) 13.502 5.690 ( 0.000 11.269 -7.436) 13.502 6.098 ( 0.000 -1.049 -7.088) 7.166 6.098 ( 0.000 1.049 -7.088) 7.166 6.668 ( 0.000 -9.574 -7.432) 12.120 6.668 ( 0.000 9.574 -7.432) 12.120 6.884 ( 0.000 -6.291 -28.568) 29.252 6.884 ( 0.000 6.291 -28.568) 29.252 7.419 ( 0.000 -2.563 5.618) 6.174 7.419 ( 0.000 2.563 5.617) 6.174 7.590 ( 0.000 -1.427 4.221) 4.456 7.590 ( 0.000 1.427 4.221) 4.456 7.780 ( 0.000 -1.564 16.903) 16.975 7.780 ( 0.000 1.564 16.903) 16.975 8.380 ( 0.000 -12.507 -2.200) 12.699 8.380 ( 0.000 12.507 -2.200) 12.699 9.082 ( 0.000 -0.459 -17.286) 17.292 9.082 ( 0.000 0.459 -17.286) 17.293 9.292 ( 0.000 -0.105 -14.457) 14.457 9.292 ( 0.000 0.106 -14.461) 14.461 9.478 ( 0.000 -0.487 -0.048) 0.490 9.478 ( 0.000 0.488 -0.052) 0.491 10.136 ( 0.000 -0.233 -12.644) 12.646 10.136 ( 0.000 0.233 -12.644) 12.646 10.639 ( 0.000 -1.766 -7.259) 7.471 10.639 ( 0.000 1.766 -7.259) 7.471 12.562 ( 0.000 -2.424 0.512) 2.477 12.562 ( 0.000 2.424 0.512) 2.477 12.671 ( 0.000 -1.538 0.300) 1.567 12.671 ( 0.000 1.538 0.300) 1.567 12.678 ( 0.000 -1.851 9.241) 9.424 12.678 ( 0.000 1.851 9.241) 9.424 13.028 ( 0.000 -2.133 3.873) 4.421 13.028 ( 0.000 2.133 3.873) 4.421 13.427 ( 0.000 -0.718 1.055) 1.276 13.427 ( 0.000 0.718 1.055) 1.276 13.574 ( 0.000 -1.105 -2.983) 3.181 13.574 ( 0.000 1.105 -2.983) 3.181 13.681 ( 0.000 -0.538 2.616) 2.671 13.681 ( 0.000 0.538 2.616) 2.671 13.761 ( 0.000 -5.428 -0.512) 5.452 13.761 ( 0.000 5.428 -0.512) 5.452 13.867 ( 0.000 -0.251 -1.402) 1.424 13.867 ( 0.000 0.251 -1.402) 1.424 13.987 ( 0.000 -1.174 -3.066) 3.283 13.987 ( 0.000 1.174 -3.066) 3.283 14.041 ( 0.000 -7.811 -1.061) 7.883 14.041 ( 0.000 7.811 -1.061) 7.883 14.282 ( 0.000 -0.674 2.321) 2.417 14.282 ( 0.000 0.674 2.321) 2.417 14.516 ( 0.000 -2.702 -0.484) 2.745 14.516 ( 0.000 2.702 -0.484) 2.745 14.603 ( 0.000 -1.431 -3.672) 3.941 14.603 ( 0.000 1.431 -3.672) 3.941 14.700 ( 0.000 -1.719 1.400) 2.217 14.700 ( 0.000 1.719 1.400) 2.217 14.953 ( 0.000 -10.487 7.606) 12.955 14.953 ( 0.000 10.487 7.607) 12.955 15.161 ( 0.000 -0.465 3.575) 3.605 15.161 ( 0.000 0.465 3.575) 3.605 15.453 ( 0.000 -7.204 -2.376) 7.586 15.453 ( 0.000 7.204 -2.377) 7.586 15.512 ( 0.000 -1.197 -4.208) 4.375 15.512 ( 0.000 1.198 -4.207) 4.375 16.186 ( 0.000 -7.013 -11.210) 13.223 16.186 ( 0.000 7.014 -11.210) 13.223 16.531 ( 0.000 -7.882 13.447) 15.587 16.531 ( 0.000 7.882 13.447) 15.587 17.702 ( 0.000 -8.137 17.156) 18.988 17.702 ( 0.000 8.138 17.156) 18.988 18.503 ( 0.000 -0.706 -35.660) 35.667 18.503 ( 0.000 0.707 -35.658) 35.666 19.792 ( 0.000 -19.176 -23.825) 30.583 19.792 ( 0.000 19.176 -23.825) 30.584 ======================= Grid point 134 (50/90) ======================= q-point: ( 0.10 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 15.081 -15.171 36.813) 42.577 2.430 ( 15.081 15.171 36.813) 42.577 2.706 ( 5.615 -39.106 9.974) 40.747 2.706 ( 5.615 39.106 9.974) 40.747 3.728 ( 32.852 -13.043 56.172) 66.368 3.728 ( 32.852 13.043 56.172) 66.368 4.688 ( -2.956 -4.677 5.246) 7.625 4.688 ( -2.956 4.677 5.246) 7.625 5.159 ( 7.266 -2.328 -12.861) 14.953 5.159 ( 7.266 2.328 -12.861) 14.953 5.686 ( -1.846 -8.395 -10.495) 13.566 5.686 ( -1.846 8.395 -10.495) 13.566 6.119 ( 2.763 -5.212 -2.093) 6.259 6.119 ( 2.763 5.212 -2.093) 6.259 6.668 ( -0.445 -7.414 -12.815) 14.812 6.668 ( -0.445 7.414 -12.815) 14.812 6.847 ( -3.328 -2.003 -21.922) 22.264 6.847 ( -3.328 2.003 -21.922) 22.263 7.357 ( -7.028 -2.718 4.559) 8.807 7.357 ( -7.028 2.718 4.559) 8.807 7.500 ( -8.315 -2.659 8.249) 12.011 7.500 ( -8.315 2.659 8.249) 12.011 7.714 ( -5.846 -2.003 13.148) 14.527 7.714 ( -5.846 2.004 13.148) 14.528 8.385 ( 0.378 -11.604 -1.881) 11.762 8.385 ( 0.378 11.605 -1.881) 11.762 8.995 ( -13.745 -1.275 3.893) 14.342 8.995 ( -13.745 1.275 3.893) 14.342 9.211 ( -4.831 -0.993 -20.437) 21.024 9.211 ( -4.831 0.995 -20.437) 21.024 9.414 ( -0.924 -1.309 -13.693) 13.787 9.414 ( -0.925 1.309 -13.693) 13.787 10.246 ( 8.821 -0.760 -8.897) 12.552 10.246 ( 8.821 0.760 -8.897) 12.552 10.534 ( -10.545 -1.456 -6.137) 12.288 10.534 ( -10.545 1.456 -6.137) 12.288 12.482 ( -4.478 -1.869 2.066) 5.274 12.482 ( -4.478 1.869 2.066) 5.274 12.648 ( -2.406 -1.871 -1.697) 3.488 12.648 ( -2.406 1.871 -1.697) 3.488 12.804 ( 8.764 -2.888 8.411) 12.486 12.804 ( 8.764 2.888 8.411) 12.486 13.014 ( -1.159 -2.086 4.087) 4.732 13.014 ( -1.159 2.086 4.087) 4.732 13.442 ( 1.055 -0.832 0.129) 1.350 13.442 ( 1.055 0.832 0.129) 1.350 13.554 ( -1.395 -1.226 -1.634) 2.473 13.554 ( -1.395 1.226 -1.634) 2.473 13.650 ( -2.956 -1.473 3.323) 4.685 13.650 ( -2.956 1.473 3.323) 4.685 13.740 ( -1.528 -4.777 -2.104) 5.439 13.740 ( -1.528 4.777 -2.104) 5.439 13.917 ( 2.572 -1.024 -1.049) 2.960 13.917 ( 2.572 1.024 -1.049) 2.960 13.979 ( 2.951 -1.438 -0.906) 3.405 13.979 ( 2.951 1.438 -0.906) 3.405 14.133 ( 6.290 -5.668 -0.098) 8.468 14.133 ( 6.290 5.668 -0.098) 8.468 14.316 ( 2.458 -1.195 -0.352) 2.756 14.316 ( 2.458 1.195 -0.352) 2.756 14.529 ( 0.277 -2.365 0.785) 2.507 14.529 ( 0.277 2.365 0.785) 2.507 14.584 ( 1.085 -2.801 -0.764) 3.099 14.584 ( 1.085 2.801 -0.764) 3.099 14.696 ( -0.602 -1.819 2.173) 2.897 14.696 ( -0.602 1.819 2.173) 2.897 14.912 ( -2.326 -4.410 1.474) 5.199 14.912 ( -2.326 4.410 1.474) 5.199 15.232 ( 4.931 -2.614 2.816) 6.251 15.232 ( 4.931 2.614 2.816) 6.251 15.474 ( 1.431 -4.662 -6.966) 8.503 15.474 ( 1.431 4.662 -6.966) 8.503 15.579 ( 6.354 -6.108 -0.524) 8.829 15.579 ( 6.354 6.108 -0.524) 8.829 16.227 ( 4.285 -9.212 -9.991) 14.250 16.227 ( 4.285 9.212 -9.991) 14.250 16.549 ( 1.686 -8.482 12.261) 15.004 16.549 ( 1.686 8.482 12.261) 15.004 17.701 ( -0.043 -8.196 15.310) 17.366 17.701 ( -0.043 8.196 15.310) 17.366 18.352 ( -13.808 -1.396 -29.630) 32.719 18.352 ( -13.808 1.398 -29.630) 32.720 19.671 ( -11.429 -17.878 -20.206) 29.301 19.671 ( -11.429 17.878 -20.207) 29.301 ======================= Grid point 136 (51/90) ======================= q-point: ( 0.20 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 17.502 -26.758 16.976) 36.200 2.811 ( 17.502 26.758 16.976) 36.200 2.932 ( 22.386 -19.544 21.842) 36.881 2.932 ( 22.386 19.544 21.842) 36.881 4.517 ( 36.378 -9.450 31.272) 48.894 4.517 ( 36.378 9.450 31.272) 48.894 4.683 ( 9.947 -5.001 16.719) 20.087 4.683 ( 9.947 5.001 16.719) 20.087 5.355 ( 12.445 -2.107 -14.327) 19.094 5.355 ( 12.445 2.107 -14.327) 19.094 5.576 ( -9.191 -6.643 -12.464) 16.851 5.576 ( -9.191 6.643 -12.464) 16.851 6.211 ( 5.719 -6.523 3.484) 9.349 6.211 ( 5.719 6.523 3.484) 9.349 6.633 ( -3.085 -1.874 -21.295) 21.598 6.633 ( -3.085 1.875 -21.295) 21.598 6.766 ( -4.685 -10.834 -8.986) 14.835 6.766 ( -4.685 10.834 -8.986) 14.835 7.157 ( -11.963 -8.753 4.796) 15.579 7.157 ( -11.963 8.752 4.796) 15.580 7.270 ( -14.405 -3.296 13.325) 19.898 7.270 ( -14.405 3.296 13.325) 19.898 7.599 ( -5.140 -0.991 4.043) 6.614 7.599 ( -5.140 0.991 4.043) 6.614 8.377 ( -2.736 -7.875 -0.366) 8.345 8.377 ( -2.736 7.876 -0.366) 8.345 8.612 ( -21.027 -2.698 9.398) 23.189 8.612 ( -21.027 2.698 9.397) 23.189 9.053 ( -8.761 -1.408 -9.714) 13.157 9.053 ( -8.761 1.410 -9.715) 13.157 9.565 ( 12.993 -1.235 -26.002) 29.093 9.565 ( 12.993 1.235 -26.002) 29.093 10.220 ( -19.939 -0.543 -2.717) 20.130 10.220 ( -19.939 0.543 -2.717) 20.130 10.425 ( 7.490 -0.744 -8.208) 11.137 10.425 ( 7.490 0.744 -8.208) 11.137 12.414 ( -2.390 -1.489 0.852) 2.942 12.414 ( -2.390 1.489 0.852) 2.942 12.577 ( -4.557 -1.594 -1.796) 5.151 12.577 ( -4.557 1.594 -1.796) 5.151 12.932 ( 1.052 -1.357 4.295) 4.626 12.932 ( 1.052 1.357 4.295) 4.626 13.034 ( 6.122 -3.623 7.735) 10.509 13.034 ( 6.122 3.623 7.735) 10.509 13.444 ( -1.460 -1.303 -2.563) 3.225 13.444 ( -1.460 1.303 -2.563) 3.225 13.532 ( -0.601 -1.210 1.206) 1.811 13.532 ( -0.601 1.210 1.206) 1.811 13.590 ( -2.795 -1.826 3.346) 4.727 13.590 ( -2.795 1.826 3.346) 4.727 13.701 ( -1.824 -3.371 0.082) 3.834 13.701 ( -1.824 3.371 0.082) 3.834 13.966 ( 2.988 -1.410 1.559) 3.653 13.966 ( 2.988 1.410 1.559) 3.653 14.089 ( 6.462 -1.239 -1.420) 6.731 14.089 ( 6.462 1.239 -1.420) 6.731 14.231 ( 2.744 -4.065 0.681) 4.951 14.231 ( 2.744 4.065 0.681) 4.951 14.339 ( -0.308 -0.615 -0.611) 0.920 14.339 ( -0.309 0.615 -0.611) 0.920 14.537 ( 1.075 -2.963 3.942) 5.047 14.537 ( 1.075 2.963 3.942) 5.047 14.667 ( -2.291 -2.974 0.881) 3.856 14.667 ( -2.291 2.974 0.881) 3.857 14.690 ( 8.086 -3.851 -2.573) 9.319 14.690 ( 8.086 3.851 -2.573) 9.319 14.902 ( 1.748 -1.070 -0.812) 2.205 14.902 ( 1.748 1.070 -0.812) 2.205 15.311 ( 1.820 -1.762 -1.030) 2.735 15.311 ( 1.821 1.762 -1.030) 2.735 15.504 ( 2.884 -5.224 -8.703) 10.552 15.504 ( 2.884 5.224 -8.703) 10.552 15.731 ( 8.377 -6.720 0.710) 10.763 15.731 ( 8.377 6.720 0.710) 10.763 16.341 ( 6.044 -9.246 -4.504) 11.930 16.341 ( 6.044 9.247 -4.504) 11.930 16.603 ( 4.585 -10.522 6.751) 13.316 16.603 ( 4.586 10.522 6.750) 13.316 17.702 ( 0.153 -8.110 10.198) 13.030 17.702 ( 0.153 8.110 10.198) 13.031 18.035 ( -16.402 -4.855 -18.405) 25.126 18.035 ( -16.403 4.856 -18.405) 25.127 19.380 ( -17.282 -14.859 -15.351) 27.479 19.380 ( -17.282 14.860 -15.351) 27.479 ======================= Grid point 138 (52/90) ======================= q-point: ( 0.30 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 20.376 -22.056 11.004) 31.981 3.159 ( 20.376 22.056 11.004) 31.981 3.492 ( 29.362 -11.827 19.406) 37.130 3.492 ( 29.362 11.827 19.406) 37.130 4.699 ( 6.586 -6.283 7.941) 12.079 4.699 ( 6.586 6.283 7.941) 12.079 5.276 ( -10.232 -2.721 -7.700) 13.091 5.276 ( -10.232 2.721 -7.700) 13.091 5.336 ( 13.934 -6.393 3.853) 15.807 5.336 ( 13.934 6.393 3.853) 15.807 5.789 ( 34.511 -1.601 7.984) 35.459 5.789 ( 34.512 1.601 7.984) 35.459 6.311 ( 4.349 -4.886 1.352) 6.679 6.311 ( 4.349 4.886 1.352) 6.679 6.556 ( -3.664 -5.563 -2.509) 7.118 6.556 ( -3.664 5.563 -2.509) 7.118 6.719 ( 1.100 -7.584 -16.411) 18.112 6.719 ( 1.100 7.584 -16.411) 18.112 6.813 ( -20.844 -3.235 14.911) 25.832 6.813 ( -20.844 3.235 14.911) 25.832 7.081 ( -4.519 -8.717 1.249) 9.897 7.081 ( -4.519 8.717 1.249) 9.898 7.499 ( -5.345 -3.380 -1.197) 6.436 7.499 ( -5.345 3.381 -1.197) 6.437 8.064 ( -24.346 -2.342 4.997) 24.964 8.064 ( -24.346 2.342 4.997) 24.963 8.426 ( -1.703 -4.032 1.294) 4.564 8.426 ( -1.704 4.032 1.294) 4.565 8.914 ( -5.797 -1.093 -4.953) 7.702 8.914 ( -5.796 1.095 -4.952) 7.702 9.702 ( -21.033 -1.873 -3.660) 21.431 9.702 ( -21.033 1.873 -3.659) 21.431 9.893 ( 8.906 -0.441 -19.492) 21.435 9.893 ( 8.906 0.441 -19.492) 21.435 10.542 ( 3.855 -0.372 -10.918) 11.584 10.542 ( 3.855 0.372 -10.918) 11.584 12.382 ( -1.018 -1.263 -0.179) 1.632 12.382 ( -1.018 1.263 -0.179) 1.632 12.480 ( -4.960 -1.325 -1.096) 5.250 12.480 ( -4.960 1.325 -1.096) 5.250 12.907 ( -1.944 -1.716 3.793) 4.594 12.907 ( -1.944 1.716 3.793) 4.594 13.184 ( 7.260 -3.506 7.667) 11.126 13.184 ( 7.260 3.506 7.667) 11.126 13.384 ( -3.919 -1.436 -3.159) 5.235 13.384 ( -3.919 1.436 -3.159) 5.235 13.523 ( -1.226 -1.401 2.888) 3.436 13.523 ( -1.226 1.401 2.888) 3.436 13.561 ( 0.789 -1.371 3.082) 3.464 13.561 ( 0.789 1.371 3.082) 3.464 13.680 ( -0.479 -1.903 1.968) 2.779 13.680 ( -0.479 1.903 1.968) 2.779 14.029 ( 3.132 -0.780 3.841) 5.017 14.029 ( 3.132 0.780 3.841) 5.017 14.199 ( 3.853 -0.522 -1.492) 4.164 14.199 ( 3.853 0.522 -1.492) 4.164 14.244 ( -0.530 -2.740 1.487) 3.162 14.244 ( -0.530 2.740 1.487) 3.162 14.330 ( -0.157 -1.099 0.451) 1.199 14.330 ( -0.157 1.099 0.451) 1.199 14.537 ( -1.411 -2.490 2.892) 4.069 14.537 ( -1.411 2.490 2.892) 4.069 14.620 ( -1.911 -1.949 0.882) 2.868 14.620 ( -1.911 1.949 0.882) 2.868 14.854 ( 7.332 -3.275 -4.356) 9.135 14.854 ( 7.332 3.275 -4.356) 9.135 14.974 ( 4.718 -2.989 -0.437) 5.602 14.974 ( 4.718 2.989 -0.437) 5.602 15.270 ( -4.797 -2.080 -5.171) 7.353 15.270 ( -4.796 2.081 -5.171) 7.353 15.633 ( 9.237 -4.158 -5.490) 11.522 15.633 ( 9.237 4.158 -5.490) 11.521 15.895 ( 7.783 -6.563 1.543) 10.297 15.895 ( 7.783 6.563 1.543) 10.297 16.408 ( 0.435 -5.037 5.113) 7.190 16.408 ( 0.434 5.037 5.113) 7.191 16.769 ( 12.048 -10.034 -4.260) 16.248 16.769 ( 12.048 10.035 -4.260) 16.248 17.661 ( -8.141 -3.759 -4.805) 10.173 17.661 ( -8.141 3.758 -4.805) 10.173 17.803 ( -2.428 -0.590 -1.464) 2.896 17.803 ( -2.427 0.591 -1.463) 2.895 19.010 ( -19.813 -11.322 -12.522) 26.030 19.010 ( -19.813 11.323 -12.522) 26.030 ======================= Grid point 140 (53/90) ======================= q-point: ( 0.40 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.617 ( 25.090 -8.705 9.354) 28.156 3.617 ( 25.090 8.705 9.355) 28.156 3.977 ( 17.465 -10.460 8.739) 22.154 3.977 ( 17.465 10.460 8.739) 22.154 4.830 ( -21.683 -4.099 2.865) 22.252 4.830 ( -21.683 4.099 2.865) 22.252 4.936 ( 12.897 -5.039 15.069) 20.465 4.936 ( 12.897 5.039 15.069) 20.465 5.543 ( 4.531 -8.835 -14.116) 17.258 5.543 ( 4.531 8.835 -14.116) 17.258 6.228 ( -17.350 -4.153 12.419) 21.737 6.228 ( -17.350 4.153 12.419) 21.738 6.311 ( -0.510 -2.338 -3.071) 3.894 6.311 ( -0.510 2.338 -3.072) 3.894 6.410 ( 3.247 -12.857 0.320) 13.265 6.410 ( 3.247 12.857 0.320) 13.265 6.830 ( 14.296 -1.370 -9.084) 16.993 6.830 ( 14.296 1.370 -9.084) 16.993 6.914 ( 25.731 -4.949 8.973) 27.697 6.914 ( 25.731 4.949 8.973) 27.697 7.030 ( 3.165 -12.862 1.412) 13.320 7.030 ( 3.165 12.862 1.412) 13.321 7.399 ( -3.971 -7.063 -2.241) 8.407 7.399 ( -3.971 7.063 -2.241) 8.407 7.602 ( -20.569 -3.325 -1.531) 20.892 7.602 ( -20.569 3.325 -1.531) 20.892 8.367 ( -7.374 -1.304 3.026) 8.077 8.367 ( -7.374 1.304 3.026) 8.077 8.752 ( -12.580 -0.416 0.926) 12.621 8.752 ( -12.579 0.418 0.926) 12.620 9.236 ( -16.969 -10.007 1.982) 19.799 9.236 ( -16.970 10.008 1.982) 19.800 10.143 ( 11.396 -0.729 -20.170) 23.178 10.143 ( 11.396 0.729 -20.170) 23.178 10.573 ( -0.578 -0.573 -15.696) 15.717 10.573 ( -0.578 0.573 -15.696) 15.717 12.369 ( -0.419 -1.084 -0.645) 1.329 12.369 ( -0.419 1.084 -0.645) 1.329 12.397 ( -3.060 -1.158 -0.045) 3.272 12.397 ( -3.060 1.158 -0.045) 3.272 12.873 ( -1.360 -1.679 4.223) 4.744 12.873 ( -1.360 1.679 4.223) 4.744 13.296 ( 3.396 -2.366 5.979) 7.271 13.296 ( 3.396 2.366 5.979) 7.272 13.317 ( -2.063 -1.102 -2.170) 3.191 13.317 ( -2.063 1.102 -2.170) 3.191 13.501 ( -0.658 -1.514 3.683) 4.036 13.501 ( -0.658 1.514 3.683) 4.036 13.594 ( 1.881 -0.871 2.704) 3.407 13.594 ( 1.881 0.871 2.704) 3.407 13.671 ( -0.552 -0.906 2.437) 2.658 13.671 ( -0.552 0.906 2.437) 2.658 14.080 ( 1.895 -0.084 5.417) 5.739 14.080 ( 1.895 0.084 5.417) 5.739 14.202 ( -1.409 -0.694 2.623) 3.058 14.202 ( -1.409 0.694 2.623) 3.058 14.260 ( 0.575 -0.449 0.561) 0.921 14.260 ( 0.575 0.449 0.561) 0.921 14.338 ( 0.835 -0.503 -1.111) 1.478 14.338 ( 0.835 0.503 -1.111) 1.478 14.501 ( -1.647 -1.801 2.226) 3.304 14.501 ( -1.647 1.801 2.227) 3.304 14.595 ( -0.722 -1.436 1.457) 2.170 14.595 ( -0.722 1.436 1.457) 2.170 14.961 ( 3.480 -2.484 -5.509) 6.973 14.961 ( 3.480 2.484 -5.509) 6.973 15.046 ( 1.682 -3.157 -1.173) 3.764 15.046 ( 1.682 3.157 -1.174) 3.764 15.186 ( -2.319 -1.746 -3.835) 4.810 15.186 ( -2.319 1.746 -3.836) 4.811 15.814 ( 8.041 -3.251 -3.450) 9.334 15.814 ( 8.041 3.250 -3.450) 9.334 16.016 ( 3.911 -5.679 4.029) 7.987 16.016 ( 3.911 5.680 4.030) 7.987 16.390 ( -1.336 -2.752 5.116) 5.961 16.390 ( -1.336 2.752 5.116) 5.961 17.026 ( 12.365 -3.240 -7.444) 14.792 17.026 ( 12.365 3.240 -7.444) 14.792 17.465 ( -9.055 -3.898 -7.389) 12.320 17.465 ( -9.055 3.899 -7.389) 12.321 17.876 ( 7.423 -4.781 -1.074) 8.894 17.876 ( 7.423 4.782 -1.074) 8.895 18.618 ( -18.928 -6.908 -10.578) 22.757 18.618 ( -18.928 6.908 -10.578) 22.757 ======================= Grid point 142 (54/90) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.990 ( 0.000 -3.830 4.633) 6.011 3.990 ( 0.000 3.830 4.633) 6.011 4.165 ( 0.000 -9.769 3.603) 10.412 4.165 ( 0.000 9.769 3.603) 10.412 4.438 ( 0.000 -5.929 9.274) 11.007 4.438 ( 0.000 5.929 9.274) 11.007 5.204 ( 0.000 -0.904 21.675) 21.693 5.204 ( 0.000 0.904 21.675) 21.693 5.569 ( 0.000 -8.740 -11.330) 14.309 5.569 ( 0.000 8.740 -11.330) 14.309 5.897 ( -0.000 -3.940 9.890) 10.646 5.897 ( -0.000 3.940 9.890) 10.646 6.346 ( 0.000 -4.081 -5.025) 6.474 6.346 ( -0.000 4.081 -5.025) 6.474 6.454 ( 0.000 -3.027 -3.137) 4.359 6.454 ( 0.000 3.028 -3.137) 4.360 6.948 ( -0.000 -5.191 -7.800) 9.369 6.948 ( 0.000 5.191 -7.800) 9.369 7.028 ( 0.000 -7.597 -4.983) 9.085 7.028 ( 0.000 7.597 -4.983) 9.086 7.296 ( 0.000 -0.279 -8.286) 8.290 7.296 ( 0.000 0.279 -8.286) 8.290 7.314 ( 0.000 -7.555 -2.749) 8.040 7.314 ( 0.000 7.556 -2.749) 8.041 7.619 ( 0.000 -5.758 13.305) 14.497 7.619 ( 0.000 5.759 13.305) 14.498 8.076 ( -0.000 -2.643 11.020) 11.332 8.076 ( -0.000 2.643 11.020) 11.332 8.597 ( 0.000 -3.478 3.294) 4.790 8.597 ( 0.000 3.479 3.295) 4.791 9.098 ( 0.000 -12.794 -0.867) 12.823 9.098 ( 0.000 12.795 -0.866) 12.824 10.273 ( -0.000 -1.092 -16.469) 16.505 10.273 ( -0.000 1.092 -16.469) 16.505 10.552 ( 0.000 -1.286 -19.812) 19.854 10.552 ( 0.000 1.287 -19.812) 19.854 12.360 ( 0.000 -1.061 0.054) 1.063 12.360 ( 0.000 1.061 0.054) 1.063 12.371 ( 0.000 -1.047 -0.369) 1.110 12.371 ( 0.000 1.047 -0.369) 1.110 12.859 ( 0.000 -1.661 4.416) 4.718 12.859 ( 0.000 1.661 4.416) 4.718 13.287 ( 0.000 -0.565 -1.843) 1.928 13.287 ( 0.000 0.566 -1.843) 1.928 13.337 ( 0.000 -1.617 5.024) 5.278 13.337 ( 0.000 1.617 5.024) 5.278 13.496 ( 0.000 -1.068 4.183) 4.317 13.496 ( 0.000 1.068 4.183) 4.317 13.618 ( 0.000 -0.558 2.371) 2.436 13.618 ( -0.000 0.558 2.371) 2.436 13.662 ( 0.000 -0.620 2.712) 2.782 13.662 ( 0.000 0.620 2.712) 2.782 14.099 ( 0.000 -0.274 5.569) 5.576 14.099 ( 0.000 0.274 5.569) 5.576 14.186 ( 0.000 -0.202 3.490) 3.496 14.186 ( 0.000 0.202 3.490) 3.496 14.261 ( 0.000 -0.056 1.783) 1.784 14.261 ( 0.000 0.056 1.783) 1.784 14.348 ( 0.000 -0.795 -1.914) 2.072 14.348 ( 0.000 0.795 -1.914) 2.072 14.483 ( 0.000 -2.102 2.098) 2.969 14.483 ( 0.000 2.102 2.098) 2.969 14.589 ( 0.000 -1.535 1.522) 2.162 14.589 ( -0.000 1.536 1.522) 2.162 14.993 ( 0.000 -2.735 -5.880) 6.485 14.993 ( 0.000 2.735 -5.880) 6.485 15.053 ( 0.000 -1.834 -2.922) 3.450 15.053 ( 0.000 1.834 -2.922) 3.450 15.175 ( 0.000 -0.396 -1.215) 1.278 15.175 ( 0.000 0.397 -1.214) 1.277 15.906 ( 0.000 -9.120 -3.918) 9.926 15.906 ( 0.000 9.120 -3.918) 9.926 16.047 ( 0.000 -9.370 7.441) 11.965 16.047 ( 0.000 9.370 7.441) 11.965 16.376 ( -0.000 -2.771 2.773) 3.920 16.376 ( 0.000 2.771 2.773) 3.920 17.183 ( 0.000 -1.102 -6.676) 6.766 17.183 ( -0.000 1.102 -6.676) 6.766 17.348 ( 0.000 -2.522 -7.344) 7.765 17.348 ( 0.000 2.522 -7.344) 7.765 18.009 ( 0.000 -7.752 -4.567) 8.997 18.009 ( -0.000 7.752 -4.567) 8.997 18.367 ( 0.000 -1.742 -8.923) 9.091 18.367 ( 0.000 1.742 -8.923) 9.091 ======================= Grid point 165 (55/90) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 0.000 0.000 41.436) 41.436 2.699 ( 0.000 0.000 43.626) 43.626 3.471 ( 0.000 0.000 38.871) 38.871 3.674 ( 0.000 0.000 -3.858) 3.858 4.159 ( 0.000 0.000 0.534) 0.534 4.427 ( 0.000 0.000 12.641) 12.641 4.544 ( 0.000 0.000 -6.656) 6.656 4.819 ( 0.000 0.000 53.872) 53.872 5.005 ( 0.000 0.000 -5.485) 5.485 5.132 ( 0.000 0.000 0.343) 0.343 5.498 ( 0.000 0.000 25.098) 25.098 5.612 ( 0.000 0.000 0.972) 0.972 5.939 ( 0.000 0.000 -39.824) 39.824 6.165 ( 0.000 0.000 0.098) 0.098 6.294 ( 0.000 0.000 5.261) 5.261 6.332 ( 0.000 0.000 -7.945) 7.945 6.734 ( 0.000 0.000 -13.378) 13.378 6.768 ( 0.000 0.000 -18.539) 18.539 7.399 ( 0.000 0.000 -6.782) 6.782 7.539 ( 0.000 0.000 1.793) 1.793 7.541 ( 0.000 0.000 5.950) 5.950 7.687 ( 0.000 0.000 1.469) 1.469 7.917 ( 0.000 0.000 -9.526) 9.526 8.218 ( 0.000 0.000 25.157) 25.157 8.227 ( 0.000 0.000 27.928) 27.928 8.305 ( 0.000 0.000 -45.255) 45.255 8.670 ( 0.000 0.000 -19.162) 19.162 8.754 ( 0.000 0.000 3.109) 3.109 8.764 ( 0.000 0.000 -14.825) 14.825 9.063 ( 0.000 0.000 -6.622) 6.622 9.711 ( 0.000 0.000 -0.240) 0.240 9.720 ( 0.000 0.000 -0.910) 0.910 9.823 ( 0.000 0.000 -4.410) 4.410 9.910 ( 0.000 0.000 -1.915) 1.915 10.429 ( 0.000 0.000 -8.806) 8.806 10.542 ( 0.000 0.000 -8.533) 8.533 12.509 ( 0.000 0.000 0.838) 0.838 12.582 ( 0.000 0.000 -2.015) 2.015 12.632 ( 0.000 0.000 0.431) 0.431 12.701 ( 0.000 0.000 -2.021) 2.021 12.839 ( 0.000 0.000 13.242) 13.242 12.965 ( 0.000 0.000 12.467) 12.467 13.064 ( 0.000 0.000 5.370) 5.370 13.171 ( 0.000 0.000 4.663) 4.663 13.380 ( 0.000 0.000 -5.261) 5.261 13.471 ( 0.000 0.000 -3.190) 3.190 13.481 ( 0.000 0.000 -0.709) 0.709 13.542 ( 0.000 0.000 -2.770) 2.770 13.595 ( 0.000 0.000 -2.662) 2.662 13.717 ( 0.000 0.000 3.843) 3.843 13.750 ( 0.000 0.000 -1.214) 1.214 13.784 ( 0.000 0.000 0.847) 0.847 13.806 ( 0.000 0.000 -2.242) 2.242 13.835 ( 0.000 0.000 -5.944) 5.944 13.962 ( 0.000 0.000 2.591) 2.591 14.000 ( 0.000 0.000 5.236) 5.236 14.098 ( 0.000 0.000 4.384) 4.384 14.214 ( 0.000 0.000 2.139) 2.139 14.305 ( 0.000 0.000 0.987) 0.987 14.317 ( 0.000 0.000 -3.874) 3.874 14.448 ( 0.000 0.000 3.240) 3.240 14.533 ( 0.000 0.000 3.559) 3.559 14.607 ( 0.000 0.000 -0.046) 0.046 14.610 ( 0.000 0.000 -2.543) 2.543 14.639 ( 0.000 0.000 1.219) 1.219 14.761 ( 0.000 0.000 2.368) 2.368 14.792 ( 0.000 0.000 2.546) 2.546 15.021 ( 0.000 0.000 -5.414) 5.414 15.183 ( 0.000 0.000 -1.613) 1.613 15.190 ( 0.000 0.000 -0.122) 0.122 15.239 ( 0.000 0.000 -4.277) 4.277 15.313 ( 0.000 0.000 -8.105) 8.105 15.420 ( 0.000 0.000 -8.363) 8.363 15.615 ( 0.000 0.000 -19.475) 19.475 15.833 ( 0.000 0.000 4.252) 4.252 16.233 ( 0.000 0.000 -8.666) 8.666 16.725 ( 0.000 0.000 25.814) 25.814 16.809 ( 0.000 0.000 3.526) 3.526 17.746 ( 0.000 0.000 -30.863) 30.863 18.110 ( 0.000 0.000 11.780) 11.780 18.116 ( 0.000 0.000 30.083) 30.083 18.257 ( 0.000 0.000 -22.655) 22.655 18.777 ( 0.000 0.000 -11.764) 11.764 19.727 ( 0.000 0.000 -24.727) 24.727 ======================= Grid point 166 (56/90) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 17.380 0.000 39.303) 42.974 2.809 ( 11.171 0.000 39.375) 40.929 3.569 ( 10.394 0.000 37.537) 38.950 3.681 ( 0.817 0.000 -2.441) 2.574 4.283 ( 10.999 0.000 -15.464) 18.977 4.525 ( 8.690 0.000 9.592) 12.943 4.674 ( 12.767 0.000 -4.220) 13.447 4.826 ( -12.430 0.000 8.840) 15.253 5.042 ( 21.630 0.000 56.469) 60.470 5.160 ( -0.004 0.000 -19.924) 19.924 5.516 ( 3.353 0.000 29.490) 29.680 5.732 ( 8.556 0.000 -1.317) 8.656 5.955 ( 2.580 0.000 -30.271) 30.381 6.007 ( -9.959 0.000 -3.785) 10.654 6.326 ( -0.760 0.000 -7.988) 8.024 6.399 ( 4.993 0.000 6.087) 7.873 6.671 ( -5.366 0.000 -11.087) 12.317 6.855 ( 8.229 0.000 -15.521) 17.567 7.230 ( -15.578 0.000 1.180) 15.622 7.544 ( -0.646 0.000 3.112) 3.178 7.590 ( 3.189 0.000 -1.784) 3.654 7.626 ( -5.411 0.000 3.080) 6.227 7.901 ( -0.768 0.000 -9.830) 9.860 8.107 ( -11.889 0.000 26.433) 28.983 8.115 ( -10.207 0.000 23.965) 26.049 8.416 ( 10.359 0.000 -43.017) 44.246 8.642 ( -6.402 0.000 -2.577) 6.901 8.740 ( 5.530 0.000 -18.778) 19.575 8.827 ( 1.919 0.000 -6.572) 6.847 9.008 ( -5.153 0.000 -6.381) 8.202 9.366 ( -23.693 0.000 -2.203) 23.796 9.385 ( -19.882 0.000 -3.176) 20.134 10.062 ( 11.594 0.000 -4.121) 12.304 10.128 ( 11.138 0.000 -3.827) 11.777 10.360 ( -6.924 0.000 -7.096) 9.914 10.454 ( -8.892 0.000 -6.894) 11.251 12.462 ( -3.640 0.000 1.582) 3.969 12.559 ( -2.268 0.000 -2.158) 3.131 12.566 ( -4.914 0.000 1.516) 5.143 12.667 ( -3.265 0.000 -2.302) 3.994 12.921 ( 6.949 0.000 11.631) 13.549 13.011 ( 0.722 0.000 7.373) 7.408 13.089 ( 2.985 0.000 7.785) 8.338 13.173 ( 2.151 0.000 5.615) 6.013 13.359 ( -1.861 0.000 -5.130) 5.457 13.431 ( -2.071 0.000 -4.167) 4.653 13.518 ( 1.363 0.000 -0.167) 1.373 13.550 ( 1.600 0.000 -1.338) 2.086 13.623 ( 1.694 0.000 -1.140) 2.042 13.684 ( -3.178 0.000 3.845) 4.988 13.752 ( -2.654 0.000 2.594) 3.711 13.779 ( -1.636 0.000 -2.893) 3.324 13.834 ( 7.302 0.000 -2.085) 7.594 13.886 ( 3.812 0.000 -4.126) 5.618 13.966 ( 2.960 0.000 0.926) 3.102 14.087 ( 6.008 0.000 4.243) 7.355 14.090 ( -0.063 0.000 2.166) 2.167 14.276 ( -0.526 0.000 3.251) 3.294 14.300 ( 6.712 0.000 1.810) 6.951 14.348 ( 0.394 0.000 -1.804) 1.846 14.480 ( 3.287 0.000 2.938) 4.409 14.564 ( -2.562 0.000 1.824) 3.145 14.575 ( 4.066 0.000 1.007) 4.189 14.627 ( 0.619 0.000 1.197) 1.348 14.675 ( 2.210 0.000 -0.985) 2.420 14.768 ( 1.070 0.000 2.473) 2.695 14.807 ( 2.801 0.000 -0.288) 2.816 14.943 ( -6.127 0.000 -4.421) 7.555 15.165 ( -1.424 0.000 -2.643) 3.002 15.197 ( 1.961 0.000 0.510) 2.026 15.285 ( 1.896 0.000 -8.047) 8.268 15.374 ( 4.951 0.000 -5.267) 7.229 15.482 ( 6.845 0.000 -10.598) 12.616 15.571 ( -3.397 0.000 -16.754) 17.095 15.898 ( 6.344 0.000 4.799) 7.955 16.325 ( 8.241 0.000 -8.833) 12.081 16.699 ( -2.570 0.000 24.434) 24.569 16.846 ( 3.591 0.000 3.003) 4.681 17.663 ( -7.749 0.000 -27.043) 28.131 18.061 ( -5.481 0.000 29.216) 29.726 18.098 ( -1.187 0.000 10.935) 10.999 18.185 ( -7.175 0.000 -22.000) 23.141 18.734 ( -4.227 0.000 -11.257) 12.024 19.624 ( -10.186 0.000 -23.522) 25.632 ======================= Grid point 167 (57/90) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 29.654 0.000 34.511) 45.501 3.130 ( 20.437 0.000 28.943) 35.431 3.716 ( 2.981 0.000 0.983) 3.139 3.894 ( 22.352 0.000 32.741) 39.643 4.542 ( 14.623 0.000 -21.013) 25.601 4.597 ( -10.000 0.000 10.157) 14.253 4.726 ( 11.087 0.000 -4.444) 11.944 4.963 ( 13.537 0.000 -10.177) 16.936 5.139 ( -1.670 0.000 -20.800) 20.867 5.572 ( 25.077 0.000 39.074) 46.429 5.715 ( 17.424 0.000 35.892) 39.898 5.855 ( 4.487 0.000 -17.093) 17.672 5.876 ( 2.841 0.000 4.017) 4.920 6.031 ( 2.186 0.000 -10.537) 10.762 6.279 ( -4.131 0.000 -13.176) 13.809 6.463 ( 2.747 0.000 6.833) 7.365 6.607 ( -0.800 0.000 1.676) 1.857 6.832 ( -21.259 0.000 4.861) 21.808 7.055 ( 10.955 0.000 -9.112) 14.249 7.399 ( -12.599 0.000 -2.971) 12.944 7.569 ( -3.761 0.000 10.803) 11.439 7.606 ( -2.080 0.000 1.802) 2.752 7.779 ( -20.531 0.000 22.157) 30.207 7.846 ( -14.556 0.000 17.444) 22.720 7.935 ( 4.548 0.000 -9.577) 10.602 8.527 ( -4.830 0.000 1.507) 5.060 8.566 ( -9.509 0.000 -15.745) 18.393 8.643 ( -15.859 0.000 -8.999) 18.234 8.840 ( -0.424 0.000 -5.652) 5.668 8.917 ( -13.173 0.000 -12.269) 18.002 9.001 ( 3.204 0.000 -16.381) 16.691 9.146 ( 3.290 0.000 -20.512) 20.774 10.155 ( -14.171 0.000 -2.458) 14.383 10.195 ( -16.900 0.000 -2.341) 17.062 10.237 ( 6.131 0.000 -7.450) 9.649 10.286 ( 4.779 0.000 -7.822) 9.167 12.395 ( -2.901 0.000 1.378) 3.212 12.479 ( -3.600 0.000 1.396) 3.862 12.497 ( -3.786 0.000 -2.096) 4.328 12.584 ( -4.729 0.000 -2.260) 5.241 12.986 ( -1.584 0.000 5.581) 5.801 13.052 ( 2.012 0.000 6.210) 6.528 13.124 ( 4.882 0.000 9.177) 10.395 13.301 ( 7.929 0.000 8.401) 11.552 13.315 ( -2.514 0.000 -5.025) 5.619 13.389 ( -2.422 0.000 -5.377) 5.897 13.534 ( 0.759 0.000 0.699) 1.032 13.603 ( 3.097 0.000 2.161) 3.777 13.612 ( -3.614 0.000 3.597) 5.099 13.645 ( 0.810 0.000 0.192) 0.833 13.693 ( -2.825 0.000 2.591) 3.833 13.740 ( -2.249 0.000 -1.592) 2.756 13.980 ( 5.433 0.000 -2.217) 5.868 13.998 ( 8.145 0.000 -1.372) 8.260 14.060 ( 5.561 0.000 -1.308) 5.712 14.109 ( 1.776 0.000 1.363) 2.239 14.200 ( 4.684 0.000 2.633) 5.373 14.284 ( 1.047 0.000 4.633) 4.750 14.344 ( -0.183 0.000 -0.604) 0.631 14.399 ( 2.153 0.000 1.269) 2.499 14.510 ( -0.233 0.000 1.710) 1.726 14.590 ( -2.581 0.000 3.982) 4.746 14.591 ( 4.795 0.000 1.140) 4.929 14.665 ( 1.810 0.000 -0.052) 1.811 14.711 ( 1.784 0.000 0.473) 1.846 14.828 ( 4.991 0.000 0.699) 5.039 14.835 ( -1.557 0.000 -3.423) 3.761 14.952 ( 9.507 0.000 -0.494) 9.519 15.168 ( 2.519 0.000 -4.771) 5.395 15.200 ( -2.693 0.000 -4.923) 5.611 15.288 ( -1.083 0.000 -7.388) 7.467 15.483 ( 5.994 0.000 -3.659) 7.023 15.536 ( 0.933 0.000 -8.516) 8.567 15.717 ( 17.029 0.000 -14.126) 22.125 16.070 ( 10.760 0.000 5.201) 11.951 16.507 ( 8.970 0.000 -7.118) 11.451 16.626 ( -4.666 0.000 20.540) 21.064 16.942 ( 5.868 0.000 1.651) 6.095 17.478 ( -9.945 0.000 -17.740) 20.338 17.914 ( -8.751 0.000 25.040) 26.525 17.976 ( -13.326 0.000 -20.508) 24.457 18.068 ( -2.222 0.000 8.858) 9.133 18.617 ( -7.347 0.000 -9.824) 12.268 19.344 ( -17.628 0.000 -21.118) 27.509 ======================= Grid point 168 (58/90) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( 36.459 0.000 28.620) 46.350 3.561 ( 21.484 0.000 17.114) 27.467 3.804 ( 5.962 0.000 4.913) 7.726 4.426 ( 30.568 0.000 26.681) 40.574 4.444 ( -5.484 0.000 6.437) 8.457 4.829 ( 11.654 0.000 -4.979) 12.673 4.939 ( 12.221 0.000 -12.299) 17.339 5.087 ( -4.264 0.000 -9.761) 10.652 5.222 ( 14.318 0.000 -24.408) 28.298 5.698 ( 2.200 0.000 -7.312) 7.636 5.839 ( -10.082 0.000 0.889) 10.121 6.055 ( 6.829 0.000 9.506) 11.704 6.069 ( 4.206 0.000 -19.499) 19.948 6.193 ( -21.067 0.000 0.542) 21.074 6.287 ( -0.190 0.000 -11.474) 11.476 6.344 ( 28.958 0.000 31.254) 42.608 6.655 ( 21.242 0.000 24.396) 32.347 6.848 ( 12.165 0.000 7.096) 14.083 7.047 ( -17.547 0.000 3.005) 17.802 7.257 ( -23.117 0.000 21.496) 31.567 7.326 ( 2.168 0.000 0.088) 2.169 7.359 ( -11.393 0.000 9.564) 14.875 7.521 ( -6.545 0.000 4.335) 7.851 7.722 ( 0.156 0.000 4.327) 4.329 7.978 ( -13.510 0.000 -5.047) 14.421 8.149 ( -20.500 0.000 -3.265) 20.759 8.167 ( -16.801 0.000 -4.916) 17.505 8.449 ( -3.677 0.000 4.069) 5.484 8.768 ( -8.363 0.000 -6.764) 10.756 8.818 ( -1.585 0.000 -2.964) 3.361 9.237 ( 18.700 0.000 -34.151) 38.935 9.407 ( 16.893 0.000 -26.157) 31.138 9.747 ( -26.025 0.000 4.754) 26.456 9.860 ( -17.302 0.000 2.770) 17.522 10.301 ( 0.267 0.000 -12.474) 12.477 10.317 ( -1.612 0.000 -13.112) 13.211 12.351 ( -1.494 0.000 0.581) 1.603 12.420 ( -3.707 0.000 -1.372) 3.953 12.425 ( -1.872 0.000 0.718) 2.005 12.493 ( -4.191 0.000 -1.338) 4.399 12.951 ( -1.746 0.000 5.287) 5.568 13.035 ( -1.699 0.000 4.728) 5.024 13.264 ( -2.533 0.000 -4.625) 5.273 13.265 ( 7.084 0.000 9.102) 11.534 13.331 ( -3.215 0.000 -5.004) 5.948 13.425 ( 3.763 0.000 7.676) 8.548 13.555 ( 1.313 0.000 1.493) 1.988 13.560 ( -0.940 0.000 3.503) 3.627 13.648 ( -1.675 0.000 2.654) 3.138 13.652 ( 1.531 0.000 3.149) 3.502 13.665 ( 0.619 0.000 -0.825) 1.032 13.706 ( -0.207 0.000 0.744) 0.772 14.074 ( 3.340 0.000 -0.192) 3.346 14.131 ( 5.155 0.000 -0.931) 5.239 14.148 ( 1.983 0.000 1.856) 2.716 14.160 ( 4.202 0.000 -2.359) 4.819 14.259 ( 1.610 0.000 1.385) 2.124 14.307 ( 1.144 0.000 5.164) 5.289 14.347 ( 0.404 0.000 -0.199) 0.451 14.390 ( -1.714 0.000 2.469) 3.006 14.527 ( 1.180 0.000 -0.123) 1.186 14.533 ( -2.673 0.000 3.049) 4.055 14.635 ( -0.387 0.000 -0.428) 0.577 14.641 ( -2.469 0.000 1.491) 2.884 14.790 ( 5.518 0.000 0.405) 5.533 14.882 ( 4.567 0.000 -1.006) 4.677 14.922 ( 3.689 0.000 -1.682) 4.054 15.055 ( -3.890 0.000 -7.700) 8.626 15.159 ( 0.228 0.000 -3.948) 3.954 15.291 ( 9.866 0.000 -4.859) 10.998 15.325 ( 8.645 0.000 3.740) 9.420 15.595 ( 4.224 0.000 -3.203) 5.301 15.612 ( 7.366 0.000 -5.522) 9.205 16.106 ( 19.239 0.000 -8.881) 21.190 16.328 ( 16.681 0.000 -1.700) 16.767 16.522 ( -5.447 0.000 15.425) 16.359 16.635 ( 2.643 0.000 -1.542) 3.060 17.062 ( 5.878 0.000 -0.003) 5.878 17.301 ( -7.526 0.000 -8.812) 11.589 17.668 ( -17.241 0.000 -19.012) 25.665 17.753 ( -6.289 0.000 15.556) 16.779 18.022 ( -2.202 0.000 6.236) 6.613 18.457 ( -8.565 0.000 -7.992) 11.715 18.948 ( -21.888 0.000 -18.991) 28.978 ======================= Grid point 169 (59/90) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( 33.224 0.000 18.271) 37.917 3.911 ( 12.756 0.000 7.866) 14.986 3.958 ( 11.569 0.000 10.945) 15.926 4.378 ( -0.982 0.000 2.491) 2.678 4.891 ( 3.004 0.000 -8.835) 9.332 4.962 ( -7.591 0.000 5.626) 9.449 5.102 ( 31.320 0.000 18.398) 36.324 5.300 ( 22.167 0.000 2.426) 22.300 5.400 ( -34.587 0.000 12.691) 36.842 5.506 ( 13.002 0.000 -19.518) 23.452 5.761 ( -8.714 0.000 -1.709) 8.880 5.858 ( 13.964 0.000 -13.070) 19.126 6.009 ( -7.374 0.000 -8.352) 11.142 6.366 ( 17.576 0.000 -16.854) 24.351 6.476 ( 15.743 0.000 -14.473) 21.385 6.480 ( -18.104 0.000 0.094) 18.104 6.573 ( -28.939 0.000 19.923) 35.134 6.772 ( -20.499 0.000 6.411) 21.478 7.086 ( 9.220 0.000 7.014) 11.585 7.152 ( 13.242 0.000 10.108) 16.659 7.299 ( 21.400 0.000 19.699) 29.086 7.304 ( -16.051 0.000 4.591) 16.694 7.455 ( -28.628 0.000 -5.760) 29.201 7.670 ( 16.375 0.000 6.604) 17.657 7.673 ( -17.150 0.000 -5.866) 18.126 7.797 ( 14.472 0.000 12.260) 18.967 8.247 ( 7.410 0.000 -3.874) 8.361 8.336 ( -8.908 0.000 5.089) 10.259 8.597 ( -8.541 0.000 -4.812) 9.804 8.790 ( -1.280 0.000 6.243) 6.373 9.165 ( -31.876 0.000 12.919) 34.395 9.533 ( -14.165 0.000 4.276) 14.796 9.615 ( 18.335 0.000 -30.663) 35.727 9.735 ( 15.258 0.000 -23.670) 28.162 10.219 ( -7.738 0.000 -19.901) 21.353 10.253 ( -5.325 0.000 -18.036) 18.805 12.333 ( -0.500 0.000 -0.062) 0.504 12.360 ( -2.208 0.000 -0.412) 2.246 12.401 ( -0.732 0.000 0.263) 0.778 12.427 ( -2.389 0.000 -0.191) 2.397 12.922 ( -1.114 0.000 5.384) 5.498 13.005 ( -1.171 0.000 4.872) 5.011 13.221 ( -1.605 0.000 -4.191) 4.488 13.275 ( -2.231 0.000 -3.966) 4.551 13.375 ( 3.747 0.000 7.290) 8.197 13.443 ( -0.662 0.000 5.117) 5.160 13.582 ( 2.071 0.000 4.744) 5.176 13.583 ( 1.374 0.000 0.512) 1.466 13.627 ( -0.554 0.000 3.624) 3.666 13.648 ( -1.244 0.000 -2.127) 2.464 13.676 ( 0.819 0.000 2.159) 2.309 13.732 ( 1.500 0.000 3.648) 3.944 14.103 ( 0.102 0.000 0.512) 0.522 14.180 ( 1.002 0.000 2.637) 2.821 14.202 ( 2.146 0.000 -1.865) 2.843 14.219 ( 1.758 0.000 -0.342) 1.791 14.279 ( 0.663 0.000 -0.316) 0.734 14.326 ( 0.742 0.000 5.893) 5.940 14.355 ( 0.247 0.000 0.326) 0.409 14.358 ( -1.384 0.000 2.921) 3.232 14.493 ( -1.287 0.000 2.517) 2.827 14.547 ( 0.900 0.000 -0.124) 0.909 14.608 ( -0.817 0.000 3.114) 3.220 14.613 ( -1.357 0.000 -1.010) 1.692 14.878 ( 3.058 0.000 -1.213) 3.289 14.934 ( -1.812 0.000 -5.876) 6.149 14.969 ( 1.271 0.000 -4.188) 4.377 14.984 ( 0.378 0.000 -0.484) 0.614 15.145 ( -0.294 0.000 -1.622) 1.648 15.487 ( 7.508 0.000 -0.515) 7.526 15.529 ( 7.298 0.000 7.660) 10.580 15.713 ( 8.767 0.000 3.697) 9.515 15.790 ( 10.414 0.000 -12.005) 15.892 16.372 ( 8.343 0.000 5.043) 9.749 16.427 ( -3.707 0.000 10.081) 10.741 16.587 ( -6.775 0.000 5.813) 8.927 16.735 ( 20.843 0.000 -15.483) 25.964 17.158 ( 3.476 0.000 -1.464) 3.772 17.191 ( -3.557 0.000 -4.487) 5.726 17.331 ( -15.347 0.000 -16.728) 22.702 17.697 ( 0.322 0.000 3.808) 3.821 18.003 ( 1.266 0.000 1.298) 1.813 18.297 ( -6.933 0.000 -6.237) 9.326 18.505 ( -22.082 0.000 -16.391) 27.501 ======================= Grid point 170 (60/90) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( 0.000 0.000 4.325) 4.325 4.039 ( 0.000 0.000 4.764) 4.764 4.259 ( 0.000 0.000 5.834) 5.834 4.589 ( 0.000 0.000 12.612) 12.612 4.705 ( -0.000 0.000 20.360) 20.360 4.898 ( -0.000 0.000 13.226) 13.226 4.900 ( -0.000 0.000 -15.581) 15.581 5.601 ( 0.000 0.000 7.272) 7.272 5.624 ( -0.000 0.000 8.518) 8.518 5.685 ( 0.000 0.000 -6.199) 6.199 5.722 ( 0.000 0.000 4.591) 4.591 5.841 ( 0.000 0.000 -10.856) 10.856 6.072 ( 0.000 0.000 6.091) 6.091 6.141 ( 0.000 0.000 -5.186) 5.186 6.166 ( -0.000 0.000 3.993) 3.993 6.458 ( -0.000 0.000 -13.651) 13.651 6.680 ( 0.000 0.000 -7.651) 7.651 6.816 ( -0.000 0.000 -10.079) 10.079 6.931 ( 0.000 0.000 -5.984) 5.984 6.974 ( 0.000 0.000 -12.419) 12.419 7.275 ( 0.000 0.000 12.193) 12.193 7.289 ( -0.000 0.000 2.968) 2.968 7.492 ( -0.000 0.000 -4.943) 4.943 7.537 ( 0.000 0.000 9.357) 9.357 7.936 ( 0.000 0.000 5.517) 5.517 8.012 ( -0.000 0.000 8.997) 8.997 8.365 ( -0.000 0.000 -1.766) 1.766 8.435 ( 0.000 0.000 21.073) 21.073 8.468 ( 0.000 0.000 -5.898) 5.898 8.473 ( -0.000 0.000 20.733) 20.733 8.831 ( 0.000 0.000 13.999) 13.999 9.378 ( -0.000 0.000 1.157) 1.157 9.898 ( -0.000 0.000 -24.206) 24.206 9.903 ( -0.000 0.000 -20.656) 20.656 10.083 ( 0.000 0.000 -23.714) 23.714 10.147 ( 0.000 0.000 -25.369) 25.369 12.328 ( 0.000 0.000 -0.296) 0.296 12.338 ( 0.000 0.000 0.023) 0.023 12.394 ( 0.000 0.000 0.128) 0.128 12.403 ( 0.000 0.000 0.315) 0.315 12.910 ( 0.000 0.000 5.456) 5.456 12.993 ( 0.000 0.000 4.955) 4.955 13.205 ( 0.000 0.000 -4.076) 4.076 13.252 ( 0.000 0.000 -3.512) 3.512 13.412 ( -0.000 0.000 6.260) 6.260 13.433 ( 0.000 0.000 4.379) 4.379 13.600 ( -0.000 0.000 -0.520) 0.520 13.611 ( 0.000 0.000 3.680) 3.680 13.617 ( -0.000 0.000 5.536) 5.536 13.632 ( 0.000 0.000 -2.099) 2.099 13.684 ( 0.000 0.000 2.412) 2.412 13.748 ( 0.000 0.000 3.737) 3.737 14.100 ( 0.000 0.000 0.829) 0.829 14.188 ( -0.000 0.000 3.123) 3.123 14.222 ( 0.000 0.000 -3.648) 3.648 14.234 ( 0.000 0.000 2.707) 2.707 14.287 ( 0.000 0.000 -1.611) 1.611 14.335 ( 0.000 0.000 5.934) 5.934 14.342 ( 0.000 0.000 3.140) 3.140 14.356 ( 0.000 0.000 0.813) 0.813 14.481 ( 0.000 0.000 2.660) 2.660 14.560 ( 0.000 0.000 0.493) 0.493 14.595 ( -0.000 0.000 -1.897) 1.897 14.601 ( 0.000 0.000 3.190) 3.190 14.903 ( 0.000 0.000 -5.584) 5.584 14.909 ( -0.000 0.000 -1.480) 1.480 14.980 ( 0.000 0.000 -5.441) 5.441 14.995 ( 0.000 0.000 -0.661) 0.661 15.149 ( -0.000 0.000 2.324) 2.324 15.558 ( 0.000 0.000 1.439) 1.439 15.588 ( 0.000 0.000 3.431) 3.431 15.846 ( 0.000 0.000 13.263) 13.263 15.926 ( 0.000 0.000 -15.396) 15.396 16.392 ( 0.000 0.000 7.563) 7.563 16.456 ( 0.000 0.000 7.112) 7.112 16.477 ( -0.000 0.000 6.286) 6.286 16.979 ( -0.000 0.000 -16.052) 16.052 17.154 ( 0.000 0.000 -15.280) 15.280 17.157 ( 0.000 0.000 -3.282) 3.282 17.192 ( 0.000 0.000 -2.262) 2.262 17.714 ( 0.000 0.000 -1.035) 1.035 18.111 ( -0.000 0.000 -2.996) 2.996 18.158 ( 0.000 0.000 -14.299) 14.299 18.219 ( 0.000 0.000 -5.232) 5.232 ======================= Grid point 176 (61/90) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 0.000 33.273 29.654) 44.570 2.805 ( 0.000 9.556 42.637) 43.695 3.355 ( 0.000 -10.672 40.678) 42.054 3.450 ( 0.000 -20.347 3.010) 20.568 4.202 ( 0.000 4.823 -10.539) 11.590 4.447 ( 0.000 3.006 25.583) 25.759 4.507 ( 0.000 -4.388 -19.010) 19.510 4.757 ( 0.000 -7.315 51.807) 52.321 5.034 ( 0.000 4.938 5.592) 7.460 5.288 ( 0.000 8.599 -3.227) 9.184 5.432 ( 0.000 -1.906 22.289) 22.370 5.626 ( 0.000 1.074 -0.861) 1.376 5.907 ( 0.000 -1.881 -22.511) 22.590 6.177 ( 0.000 -10.546 2.211) 10.775 6.268 ( 0.000 8.168 -10.453) 13.266 6.378 ( 0.000 4.197 -8.035) 9.065 6.641 ( 0.000 -7.710 -15.251) 17.089 6.666 ( 0.000 -7.562 -13.726) 15.671 7.445 ( 0.000 2.761 -4.063) 4.912 7.510 ( 0.000 -1.213 3.945) 4.128 7.584 ( 0.000 2.374 2.132) 3.190 7.678 ( 0.000 -1.178 0.913) 1.491 7.979 ( 0.000 5.855 -14.846) 15.959 8.220 ( 0.000 0.188 25.023) 25.024 8.223 ( 0.000 -0.654 24.987) 24.996 8.264 ( 0.000 -3.638 -37.909) 38.084 8.678 ( 0.000 0.791 -16.167) 16.186 8.736 ( 0.000 -1.466 -0.292) 1.495 8.848 ( 0.000 6.591 -14.792) 16.194 9.052 ( 0.000 -1.445 -9.009) 9.124 9.713 ( 0.000 0.145 -0.301) 0.334 9.719 ( 0.000 -0.068 -0.726) 0.730 9.837 ( 0.000 1.229 -4.131) 4.310 9.898 ( 0.000 -1.061 -2.329) 2.559 10.446 ( 0.000 1.563 -8.793) 8.931 10.526 ( 0.000 -1.436 -8.589) 8.708 12.528 ( 0.000 1.698 0.786) 1.871 12.598 ( 0.000 1.480 -1.914) 2.419 12.615 ( 0.000 -1.534 0.503) 1.615 12.682 ( 0.000 -1.636 -1.863) 2.479 12.859 ( 0.000 1.745 13.021) 13.137 12.948 ( 0.000 -1.536 12.497) 12.591 13.076 ( 0.000 1.169 5.172) 5.302 13.152 ( 0.000 -1.641 4.741) 5.017 13.397 ( 0.000 1.215 -4.656) 4.812 13.456 ( 0.000 -1.322 -2.867) 3.157 13.485 ( 0.000 0.768 -1.576) 1.753 13.533 ( 0.000 -0.831 -3.184) 3.291 13.623 ( 0.000 2.820 -1.902) 3.401 13.726 ( 0.000 0.746 3.526) 3.604 13.763 ( 0.000 -0.181 1.541) 1.551 13.809 ( 0.000 1.062 -1.172) 1.582 13.810 ( 0.000 -2.415 -5.020) 5.570 13.840 ( 0.000 5.317 -3.034) 6.122 13.952 ( 0.000 -5.950 3.980) 7.159 13.972 ( 0.000 0.958 2.944) 3.096 14.004 ( 0.000 -3.046 2.414) 3.886 14.185 ( 0.000 -5.538 -0.096) 5.539 14.319 ( 0.000 1.396 3.694) 3.949 14.324 ( 0.000 0.540 -2.962) 3.011 14.472 ( 0.000 2.188 2.469) 3.299 14.527 ( 0.000 -0.474 2.681) 2.723 14.559 ( 0.000 -1.942 -3.592) 4.084 14.609 ( 0.000 -2.589 1.428) 2.957 14.668 ( 0.000 2.993 0.350) 3.014 14.753 ( 0.000 -0.802 2.001) 2.156 14.859 ( 0.000 5.251 0.531) 5.278 15.009 ( 0.000 -1.199 -5.883) 6.004 15.182 ( 0.000 0.655 -0.045) 0.656 15.236 ( 0.000 -0.501 -2.475) 2.525 15.277 ( 0.000 6.258 -0.717) 6.298 15.316 ( 0.000 0.321 -8.093) 8.100 15.400 ( 0.000 -0.029 -6.654) 6.654 15.731 ( 0.000 9.222 -16.757) 19.127 15.740 ( 0.000 -8.114 4.583) 9.319 16.152 ( 0.000 -7.301 -9.289) 11.815 16.753 ( 0.000 2.164 22.181) 22.286 16.809 ( 0.000 -0.142 6.499) 6.500 17.777 ( 0.000 3.016 -29.654) 29.807 18.080 ( 0.000 -10.892 -19.844) 22.637 18.107 ( 0.000 -0.593 11.804) 11.819 18.111 ( 0.000 -0.410 27.517) 27.520 19.021 ( 0.000 17.287 -16.123) 23.639 19.636 ( 0.000 -8.504 -23.805) 25.278 ======================= Grid point 177 (62/90) ======================= q-point: ( 0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 12.684 29.688 29.726) 43.885 2.910 ( 10.797 9.185 38.743) 41.255 3.447 ( 9.630 -11.120 38.651) 41.355 3.474 ( 2.576 -18.864 3.908) 19.436 4.304 ( 8.792 3.319 -22.537) 24.418 4.534 ( 6.890 -0.751 -4.352) 8.184 4.627 ( 11.791 -0.490 15.227) 19.265 4.877 ( 4.045 -2.846 14.480) 15.301 5.089 ( 14.069 6.112 43.651) 46.268 5.237 ( -3.616 8.148 -14.400) 16.936 5.439 ( 4.049 -6.065 26.376) 27.365 5.673 ( -0.664 -5.818 -5.472) 8.014 5.948 ( 6.619 2.512 -6.187) 9.402 6.092 ( -4.982 3.632 -19.153) 20.121 6.347 ( 0.289 -0.321 -2.188) 2.230 6.364 ( 2.677 -0.477 -2.909) 3.981 6.612 ( -2.889 -4.222 -11.073) 12.198 6.743 ( 7.285 -8.227 -13.056) 17.065 7.298 ( -13.856 5.425 1.663) 14.973 7.507 ( -0.980 -2.504 1.996) 3.349 7.585 ( -1.197 -0.694 2.160) 2.566 7.616 ( -5.364 -1.659 0.377) 5.627 7.989 ( 1.119 7.386 -12.088) 14.210 8.107 ( -11.549 -0.121 26.073) 28.517 8.119 ( -9.660 0.599 21.594) 23.663 8.350 ( 7.393 -5.601 -34.908) 36.119 8.700 ( -1.788 3.341 -7.314) 8.237 8.745 ( 4.985 0.263 -14.911) 15.724 8.851 ( -0.133 2.988 -10.275) 10.701 8.999 ( -4.794 -1.200 -7.989) 9.394 9.370 ( -23.152 0.333 -2.311) 23.269 9.383 ( -20.341 -0.140 -3.131) 20.581 10.072 ( 11.500 0.895 -4.137) 12.254 10.119 ( 11.167 -0.864 -3.920) 11.867 10.374 ( -7.263 1.268 -7.099) 10.235 10.441 ( -8.652 -1.221 -6.943) 11.161 12.478 ( -3.866 1.412 1.590) 4.412 12.551 ( -4.769 -1.309 1.549) 5.182 12.574 ( -2.389 1.346 -2.090) 3.448 12.650 ( -3.105 -1.485 -2.144) 4.055 12.941 ( 6.817 1.795 11.245) 13.272 13.010 ( 2.386 -0.295 8.162) 8.509 13.086 ( 1.936 0.043 7.079) 7.339 13.150 ( 1.429 -1.943 5.596) 6.094 13.376 ( -1.806 1.335 -5.053) 5.529 13.426 ( -1.961 -0.558 -4.354) 4.807 13.517 ( 1.729 0.177 -0.450) 1.795 13.545 ( 1.597 -0.499 -1.545) 2.277 13.643 ( 1.136 2.116 -0.437) 2.442 13.694 ( -3.099 0.906 3.530) 4.784 13.744 ( -2.366 -0.893 2.914) 3.858 13.769 ( -1.754 -1.131 -2.599) 3.333 13.863 ( 4.368 1.281 -2.171) 5.043 13.905 ( 5.569 2.864 -2.791) 6.856 13.962 ( 3.136 -1.180 0.882) 3.464 14.011 ( 2.738 -4.802 1.972) 5.869 14.083 ( 6.380 0.202 3.328) 7.199 14.233 ( 2.718 -3.104 -0.197) 4.130 14.330 ( 1.216 0.598 2.334) 2.699 14.341 ( 1.972 -0.872 -0.266) 2.173 14.488 ( 2.024 1.438 1.883) 3.116 14.544 ( 1.090 -0.440 0.084) 1.178 14.582 ( 1.631 -0.363 1.803) 2.458 14.621 ( 2.953 -2.595 -0.754) 4.003 14.688 ( 1.324 2.111 0.472) 2.536 14.740 ( -1.358 -0.809 2.075) 2.608 14.847 ( 0.146 2.538 -0.556) 2.602 14.935 ( -5.627 -0.832 -4.013) 6.962 15.211 ( 2.246 1.294 0.058) 2.593 15.218 ( -0.997 3.455 -3.173) 4.795 15.281 ( 0.895 -0.063 -7.764) 7.816 15.377 ( 1.990 -3.371 -10.096) 10.829 15.438 ( 5.138 4.622 -2.547) 7.365 15.752 ( 3.295 11.776 -14.258) 18.784 15.808 ( 6.464 -7.770 4.831) 11.203 16.237 ( 7.790 -7.978 -9.286) 14.510 16.737 ( -1.639 2.992 21.139) 21.413 16.837 ( 2.631 -0.964 6.187) 6.792 17.699 ( -7.260 3.451 -26.121) 27.330 18.013 ( -6.491 -10.289 -16.759) 20.709 18.066 ( -4.548 -0.593 21.897) 22.372 18.089 ( -1.710 -0.802 13.751) 13.880 18.958 ( -6.230 16.105 -15.434) 23.160 19.537 ( -9.735 -8.068 -22.631) 25.923 ======================= Grid point 178 (63/90) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 23.610 21.222 28.693) 42.792 3.222 ( 19.967 8.435 28.901) 36.126 3.553 ( 5.765 -15.308 6.665) 17.664 3.742 ( 19.423 -12.309 31.630) 39.105 4.497 ( 9.521 2.070 -18.096) 20.552 4.684 ( 7.418 -1.427 -8.376) 11.279 4.797 ( 5.889 7.012 8.830) 12.721 4.983 ( 9.303 0.808 -11.645) 14.926 5.146 ( -3.995 3.038 -18.950) 19.603 5.568 ( 4.547 -5.037 10.833) 12.783 5.626 ( 21.046 -5.398 31.403) 38.187 5.699 ( 21.052 -3.557 30.574) 37.291 6.026 ( 0.994 6.015 -17.868) 18.880 6.129 ( 7.775 7.503 -3.437) 11.338 6.274 ( -4.926 -0.172 -10.088) 11.228 6.447 ( 3.747 -1.303 5.752) 6.987 6.584 ( 2.009 -2.013 -0.729) 2.936 6.863 ( -6.904 -7.645 -3.712) 10.949 6.982 ( -5.633 5.682 0.829) 8.044 7.404 ( -11.812 1.388 -1.770) 12.024 7.483 ( -3.973 -8.482 5.161) 10.694 7.556 ( -4.796 -3.596 5.130) 7.890 7.788 ( -19.556 0.568 21.249) 28.884 7.822 ( -16.384 -1.335 18.566) 24.798 8.074 ( 4.419 10.130 -11.010) 15.600 8.441 ( -1.084 -5.765 -11.281) 12.715 8.616 ( -17.278 2.556 -3.867) 17.889 8.705 ( -14.151 2.846 -4.640) 15.161 8.797 ( -1.245 -0.446 -10.633) 10.715 8.934 ( -7.643 -0.700 -7.542) 10.760 9.033 ( 2.695 2.987 -19.099) 19.518 9.135 ( 2.862 -1.096 -19.943) 20.177 10.158 ( -14.516 0.319 -2.435) 14.722 10.186 ( -16.188 -0.727 -2.390) 16.379 10.246 ( 5.488 0.733 -7.553) 9.365 10.280 ( 4.812 -0.574 -7.848) 9.224 12.407 ( -3.043 1.092 1.398) 3.522 12.466 ( -3.540 -1.117 1.412) 3.971 12.509 ( -3.905 1.111 -2.068) 4.556 12.571 ( -4.575 -1.181 -2.167) 5.198 12.996 ( -1.508 0.953 5.423) 5.709 13.047 ( 0.216 -0.711 5.514) 5.564 13.141 ( 6.518 1.794 9.515) 11.672 13.263 ( 6.764 -2.706 7.322) 10.329 13.337 ( -1.492 1.300 -3.908) 4.380 13.383 ( -2.512 -0.596 -5.395) 5.981 13.542 ( 1.080 0.775 0.800) 1.552 13.590 ( 2.381 -1.051 1.739) 3.130 13.623 ( -3.256 1.065 3.557) 4.938 13.655 ( -0.213 0.702 0.545) 0.914 13.692 ( -1.979 -0.067 2.552) 3.230 13.732 ( -1.955 -0.767 -1.422) 2.536 13.973 ( 6.095 0.199 -0.700) 6.138 14.035 ( 6.894 2.316 -1.404) 7.407 14.056 ( 5.347 -1.174 -0.129) 5.476 14.080 ( 3.969 -1.812 1.571) 4.637 14.201 ( 4.663 0.674 2.527) 5.346 14.267 ( 1.379 -0.918 1.625) 2.321 14.333 ( -0.002 -0.523 -0.933) 1.069 14.385 ( 0.370 -2.121 2.126) 3.026 14.540 ( 1.921 2.811 0.359) 3.424 14.568 ( 2.054 0.221 2.353) 3.131 14.642 ( 3.261 -1.253 1.591) 3.839 14.651 ( -1.685 2.586 0.893) 3.213 14.716 ( 0.160 -0.019 -0.249) 0.297 14.747 ( 4.792 -5.137 -0.377) 7.035 14.861 ( 0.479 0.735 -1.753) 1.961 14.910 ( 5.619 -2.347 -1.477) 6.266 15.213 ( -2.989 1.136 -5.663) 6.504 15.241 ( 3.536 4.452 -4.798) 7.440 15.272 ( -1.079 -0.849 -7.716) 7.837 15.436 ( 5.332 -5.404 -8.955) 11.741 15.569 ( 7.449 7.570 -0.930) 10.661 15.896 ( 11.112 11.215 -9.781) 18.572 15.980 ( 10.838 -6.521 3.135) 13.032 16.417 ( 9.390 -8.208 -7.959) 14.795 16.689 ( -3.131 5.048 18.190) 19.135 16.903 ( 3.785 -3.502 5.336) 7.421 17.526 ( -9.311 4.337 -17.854) 20.598 17.836 ( -11.075 -8.826 -14.599) 20.339 17.944 ( -7.236 1.248 18.175) 19.602 18.043 ( -2.771 -2.104 11.250) 11.775 18.786 ( -10.740 12.848 -13.620) 21.586 19.269 ( -16.851 -6.898 -20.292) 27.264 ======================= Grid point 179 (64/90) ======================= q-point: ( 0.30 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( 30.812 11.612 25.208) 41.469 3.642 ( 20.693 7.274 17.304) 27.938 3.705 ( 9.621 -9.251 9.077) 16.142 4.128 ( 15.674 -14.354 17.651) 27.627 4.685 ( 13.916 9.059 7.731) 18.317 4.867 ( 9.582 2.485 1.504) 10.012 4.953 ( 9.234 2.005 -13.249) 16.273 5.059 ( -4.352 -0.790 -10.575) 11.463 5.184 ( 11.019 -3.551 -22.133) 24.978 5.472 ( -5.540 -13.520 -2.803) 14.878 5.961 ( 2.039 5.312 -1.517) 5.889 6.058 ( 4.941 0.107 5.826) 7.640 6.127 ( 6.203 5.746 -15.644) 17.782 6.286 ( 1.955 4.212 -5.441) 7.153 6.305 ( 3.782 6.413 4.538) 8.719 6.544 ( 9.402 12.494 20.159) 25.512 6.651 ( 17.198 -0.296 22.177) 28.065 6.726 ( 9.309 -8.285 4.998) 13.427 7.071 ( -11.450 -0.943 5.880) 12.906 7.153 ( 2.204 -10.149 3.751) 11.042 7.255 ( -22.924 -0.732 20.766) 30.940 7.364 ( -13.073 0.101 2.873) 13.385 7.431 ( -9.048 -7.020 9.302) 14.754 7.622 ( -3.834 -7.685 1.089) 8.657 8.031 ( -21.543 3.030 -3.824) 22.089 8.128 ( -27.997 -2.064 -3.717) 28.318 8.262 ( -1.541 8.101 -4.373) 9.334 8.473 ( -3.742 0.605 1.304) 4.009 8.793 ( -5.039 1.914 -6.176) 8.197 8.824 ( -1.300 0.512 -2.968) 3.280 9.261 ( 16.785 2.170 -31.599) 35.846 9.381 ( 15.446 -2.286 -25.979) 30.310 9.763 ( -23.822 1.471 3.981) 24.197 9.843 ( -18.007 -1.523 2.788) 18.285 10.304 ( -0.006 0.216 -12.635) 12.637 10.315 ( -1.333 -0.192 -13.080) 13.149 12.362 ( -1.577 0.911 0.610) 1.920 12.414 ( -1.859 -1.026 0.692) 2.233 12.431 ( -3.754 0.936 -1.336) 4.094 12.482 ( -4.113 -0.980 -1.323) 4.430 12.962 ( -1.714 1.033 5.168) 5.542 13.022 ( -1.688 -1.163 4.776) 5.198 13.273 ( -2.306 0.788 -4.412) 5.040 13.283 ( 5.762 1.325 7.036) 9.190 13.328 ( -2.272 -0.074 -3.286) 3.996 13.404 ( 4.407 -1.877 7.799) 9.153 13.558 ( 0.074 0.570 2.509) 2.575 13.580 ( -0.173 1.547 2.569) 3.004 13.618 ( -0.305 -1.831 2.921) 3.461 13.646 ( 0.411 -0.825 2.562) 2.722 13.682 ( -0.216 0.940 -0.985) 1.379 13.707 ( 0.152 -0.044 0.634) 0.654 14.078 ( 4.001 0.641 1.002) 4.174 14.137 ( 2.940 -0.993 2.052) 3.720 14.152 ( 4.618 1.411 -1.189) 4.973 14.166 ( 4.185 0.409 -1.382) 4.427 14.255 ( 1.135 -0.065 2.525) 2.769 14.295 ( 1.310 -0.854 3.033) 3.413 14.339 ( 0.505 -0.616 -0.511) 0.946 14.367 ( -1.296 -1.834 2.485) 3.350 14.554 ( -1.812 1.822 2.769) 3.777 14.565 ( -0.155 2.771 -0.131) 2.778 14.617 ( -1.587 -0.990 1.224) 2.235 14.649 ( -1.897 -0.071 0.022) 1.898 14.780 ( 5.731 -0.545 -0.005) 5.756 14.854 ( 4.849 -2.828 -1.865) 5.915 14.921 ( 3.675 0.589 -1.713) 4.097 15.019 ( 1.759 -3.337 -5.204) 6.427 15.145 ( -1.197 0.384 -3.493) 3.713 15.230 ( 0.450 -2.807 -1.546) 3.235 15.418 ( 12.425 4.762 -5.900) 14.556 15.565 ( 6.682 -2.067 -5.795) 9.083 15.729 ( 8.773 9.189 -0.060) 12.704 16.126 ( 10.453 -2.717 3.121) 11.243 16.262 ( 17.188 0.399 -8.991) 19.402 16.565 ( 4.279 -6.228 -2.685) 8.019 16.628 ( -1.844 7.487 12.103) 14.351 16.976 ( 3.539 -7.101 2.883) 8.442 17.360 ( -7.007 4.648 -10.143) 13.174 17.588 ( -13.702 -5.312 -14.028) 20.316 17.814 ( -4.989 3.993 11.587) 13.233 17.989 ( -2.373 -3.007 7.269) 8.217 18.553 ( -12.390 7.987 -11.135) 18.474 18.892 ( -20.849 -5.202 -18.133) 28.117 ======================= Grid point 180 (65/90) ======================= q-point: ( 0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.755 ( 29.200 2.828 16.594) 33.704 3.925 ( 13.393 -2.993 11.298) 17.776 3.975 ( 11.875 5.560 7.948) 15.333 4.294 ( 3.795 -7.049 4.624) 9.244 4.875 ( -9.134 -4.672 2.172) 10.487 4.921 ( -3.323 0.104 -7.592) 8.288 5.152 ( 22.514 3.431 15.510) 27.553 5.213 ( -3.905 -4.153 0.806) 5.757 5.321 ( 19.340 -0.971 6.441) 20.407 5.452 ( 6.164 -7.804 -9.157) 13.519 5.936 ( -4.488 12.247 -4.712) 13.868 6.035 ( 4.963 9.667 -11.494) 15.817 6.096 ( -5.463 9.804 -6.442) 12.941 6.360 ( 9.810 -0.497 -14.377) 17.412 6.473 ( 8.799 2.910 -13.712) 16.550 6.555 ( -18.342 2.412 7.335) 19.901 6.587 ( -23.392 1.284 16.200) 28.483 6.784 ( -12.006 -2.884 -1.205) 12.406 6.998 ( 8.239 -0.973 10.337) 13.254 7.102 ( 9.317 -5.252 7.505) 13.066 7.209 ( -10.315 -6.362 2.514) 12.377 7.368 ( 20.590 3.162 19.271) 28.378 7.445 ( -21.062 -2.040 -3.085) 21.384 7.537 ( -1.020 -5.548 3.113) 6.443 7.622 ( -6.629 -8.275 -2.589) 10.915 7.662 ( 8.834 -7.862 12.068) 16.897 8.326 ( 1.704 5.609 -1.270) 5.998 8.390 ( -5.019 3.220 2.812) 6.593 8.681 ( -5.505 5.914 -2.188) 8.371 8.797 ( -2.433 0.240 5.112) 5.667 9.197 ( -27.856 3.218 10.507) 29.945 9.443 ( -10.197 -6.284 -0.925) 12.013 9.665 ( 12.528 2.633 -23.635) 26.880 9.729 ( 14.707 -0.607 -23.568) 27.787 10.225 ( -7.288 0.513 -19.612) 20.929 10.249 ( -5.588 -0.361 -18.299) 19.137 12.341 ( -0.568 0.793 -0.008) 0.975 12.370 ( -2.198 0.865 -0.392) 2.395 12.389 ( -0.741 -0.977 0.219) 1.246 12.417 ( -2.336 -0.879 -0.237) 2.508 12.934 ( -1.095 1.068 5.297) 5.513 12.993 ( -1.137 -1.113 4.932) 5.182 13.229 ( -1.692 0.727 -4.222) 4.606 13.267 ( -2.103 -0.685 -4.049) 4.614 13.391 ( 3.328 1.408 7.183) 8.041 13.443 ( 0.087 -0.192 5.538) 5.542 13.573 ( 1.640 -0.480 4.521) 4.833 13.597 ( 1.032 1.152 0.789) 1.736 13.608 ( -0.213 -1.487 3.607) 3.907 13.650 ( -0.510 -0.437 -0.605) 0.904 13.679 ( 0.398 0.780 0.993) 1.324 13.727 ( 1.073 -0.579 2.565) 2.841 14.120 ( 0.507 1.502 1.150) 1.958 14.179 ( 1.230 -0.283 2.109) 2.458 14.213 ( 1.624 0.798 -2.295) 2.923 14.228 ( 2.049 0.852 0.416) 2.258 14.266 ( 0.343 -0.874 1.397) 1.683 14.313 ( 0.170 -1.356 4.421) 4.628 14.343 ( 0.443 -0.291 1.521) 1.611 14.360 ( 0.351 -0.292 2.003) 2.054 14.511 ( -1.745 1.577 2.447) 3.394 14.568 ( 0.234 1.477 0.660) 1.634 14.592 ( -0.791 -1.063 2.137) 2.514 14.616 ( -1.360 0.025 -0.568) 1.474 14.867 ( 2.852 -0.627 -1.713) 3.386 14.923 ( 2.016 -2.802 -3.664) 5.034 14.945 ( -1.672 0.941 -6.276) 6.563 14.996 ( -0.541 -0.270 -3.132) 3.190 15.150 ( 1.099 0.971 1.003) 1.777 15.326 ( 6.134 -7.600 6.216) 11.577 15.643 ( 5.279 4.277 -3.074) 7.457 15.722 ( 12.293 0.250 -7.329) 14.314 15.906 ( 8.276 9.498 2.504) 12.844 16.294 ( 6.280 -6.441 7.344) 11.613 16.451 ( -0.169 1.569 5.663) 5.879 16.556 ( -4.350 -2.584 4.941) 7.072 16.771 ( 16.287 3.538 -11.115) 20.033 17.046 ( 3.392 -7.357 -2.707) 8.541 17.254 ( -3.951 2.950 -6.014) 7.776 17.320 ( -12.423 -0.550 -13.607) 18.433 17.771 ( 0.502 5.595 3.007) 6.372 17.973 ( 1.646 -2.811 1.829) 3.736 18.323 ( -10.004 2.446 -8.304) 13.230 18.472 ( -20.715 -2.927 -15.465) 26.016 ======================= Grid point 181 (66/90) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( 0.000 3.114 4.993) 5.884 4.090 ( 0.000 4.721 4.102) 6.254 4.209 ( 0.000 -4.344 6.832) 8.096 4.433 ( 0.000 -10.278 5.121) 11.483 4.656 ( 0.000 -2.950 17.102) 17.355 4.776 ( -0.000 -8.123 10.494) 13.271 5.065 ( -0.000 10.613 -10.192) 14.715 5.500 ( -0.000 -9.261 -12.045) 15.194 5.653 ( 0.000 2.785 15.019) 15.275 5.663 ( -0.000 0.870 23.103) 23.120 5.945 ( 0.000 14.297 -5.403) 15.284 5.969 ( 0.000 10.477 -8.551) 13.524 6.091 ( 0.000 1.553 7.362) 7.524 6.167 ( -0.000 -0.413 7.925) 7.935 6.228 ( 0.000 7.269 -11.124) 13.288 6.425 ( 0.000 -4.231 -10.478) 11.300 6.743 ( 0.000 4.635 -11.189) 12.111 6.810 ( -0.000 -0.785 -9.843) 9.874 6.975 ( 0.000 5.287 -6.377) 8.284 6.990 ( 0.000 1.261 -10.278) 10.356 7.131 ( 0.000 -8.751 9.229) 12.719 7.193 ( 0.000 -8.235 1.434) 8.359 7.350 ( 0.000 -10.238 -5.161) 11.465 7.517 ( 0.000 -6.853 1.069) 6.936 7.863 ( 0.000 -1.448 13.767) 13.843 8.037 ( 0.000 -2.235 12.451) 12.650 8.245 ( 0.000 -2.139 11.462) 11.660 8.361 ( -0.000 -1.543 8.211) 8.355 8.566 ( 0.000 7.099 10.898) 13.006 8.719 ( 0.000 6.283 5.686) 8.474 8.867 ( 0.000 6.938 9.601) 11.845 9.304 ( -0.000 -6.770 1.067) 6.853 9.902 ( -0.000 0.360 -23.212) 23.215 9.908 ( -0.000 0.320 -20.317) 20.319 10.094 ( 0.000 1.009 -24.214) 24.235 10.140 ( 0.000 -0.656 -25.229) 25.237 12.336 ( 0.000 0.714 -0.180) 0.736 12.348 ( 0.000 0.897 -0.007) 0.897 12.382 ( 0.000 -1.004 0.115) 1.011 12.394 ( 0.000 -0.815 0.201) 0.840 12.922 ( 0.000 1.080 5.379) 5.486 12.981 ( 0.000 -1.084 5.021) 5.136 13.212 ( 0.000 0.641 -4.030) 4.081 13.245 ( 0.000 -0.588 -3.629) 3.677 13.423 ( -0.000 0.949 6.098) 6.171 13.440 ( 0.000 0.459 4.566) 4.588 13.598 ( 0.000 -0.924 3.938) 4.045 13.601 ( -0.000 -1.012 5.008) 5.109 13.611 ( 0.000 0.695 0.042) 0.696 13.641 ( 0.000 0.324 -1.770) 1.800 13.685 ( 0.000 0.438 2.277) 2.319 13.738 ( 0.000 -0.909 2.883) 3.023 14.121 ( 0.000 1.796 1.189) 2.154 14.189 ( -0.000 -0.235 2.568) 2.578 14.227 ( 0.000 0.520 -2.783) 2.831 14.247 ( 0.000 1.085 2.689) 2.900 14.272 ( 0.000 -1.206 -0.792) 1.443 14.309 ( 0.000 -1.442 4.527) 4.751 14.357 ( 0.000 0.102 1.064) 1.069 14.361 ( -0.000 0.608 3.616) 3.666 14.493 ( 0.000 1.246 2.692) 2.966 14.576 ( 0.000 1.281 0.362) 1.331 14.581 ( 0.000 -1.795 3.098) 3.580 14.601 ( -0.000 0.385 -1.366) 1.419 14.891 ( 0.000 -0.589 -2.475) 2.544 14.923 ( -0.000 1.144 -5.642) 5.757 14.944 ( 0.000 -2.511 -4.654) 5.288 14.990 ( 0.000 -1.101 -3.413) 3.586 15.170 ( 0.000 2.113 4.674) 5.129 15.392 ( 0.000 -8.510 7.438) 11.302 15.685 ( -0.000 4.960 -2.927) 5.759 15.891 ( 0.000 -3.212 -12.705) 13.105 15.994 ( 0.000 10.539 11.662) 15.719 16.369 ( 0.000 -5.990 8.054) 10.037 16.412 ( -0.000 1.777 6.888) 7.113 16.495 ( -0.000 -0.477 5.458) 5.479 16.991 ( -0.000 1.135 -14.111) 14.156 17.094 ( 0.000 -3.811 -4.399) 5.820 17.162 ( 0.000 0.747 -13.734) 13.754 17.203 ( 0.000 -0.262 -5.027) 5.034 17.791 ( 0.000 6.364 -1.355) 6.507 18.065 ( -0.000 -4.268 -2.739) 5.071 18.166 ( 0.000 0.721 -12.812) 12.832 18.210 ( 0.000 -0.872 -6.409) 6.468 ======================= Grid point 187 (67/90) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 0.000 -34.143 14.709) 37.177 2.854 ( 0.000 34.143 14.709) 37.177 3.073 ( 0.000 -14.133 40.852) 43.228 3.073 ( 0.000 14.133 40.852) 43.228 4.358 ( 0.000 -8.687 -21.931) 23.589 4.358 ( 0.000 8.687 -21.931) 23.589 4.569 ( 0.000 -8.281 42.809) 43.602 4.569 ( 0.000 8.281 42.809) 43.602 5.196 ( 0.000 -8.902 11.062) 14.199 5.196 ( 0.000 8.902 11.062) 14.199 5.603 ( 0.000 -6.272 2.118) 6.620 5.603 ( 0.000 6.272 2.118) 6.620 5.939 ( 0.000 -7.753 -7.802) 10.999 5.939 ( 0.000 7.753 -7.802) 10.999 6.459 ( 0.000 -9.232 -14.649) 17.316 6.459 ( 0.000 9.232 -14.649) 17.316 6.501 ( 0.000 -7.216 -9.690) 12.082 6.501 ( 0.000 7.216 -9.690) 12.082 7.486 ( 0.000 -1.268 1.061) 1.653 7.486 ( 0.000 1.268 1.061) 1.654 7.637 ( 0.000 -2.476 0.863) 2.622 7.637 ( 0.000 2.476 0.863) 2.622 8.131 ( 0.000 -7.285 -24.243) 25.313 8.131 ( 0.000 7.285 -24.243) 25.314 8.226 ( 0.000 -0.366 22.500) 22.503 8.226 ( 0.000 0.366 22.501) 22.503 8.703 ( 0.000 -1.487 -8.686) 8.812 8.703 ( 0.000 1.488 -8.685) 8.811 8.983 ( 0.000 -5.222 -12.923) 13.938 8.983 ( 0.000 5.224 -12.923) 13.939 9.717 ( 0.000 -0.157 -0.465) 0.491 9.717 ( 0.000 0.157 -0.465) 0.491 9.869 ( 0.000 -1.610 -3.287) 3.660 9.869 ( 0.000 1.610 -3.287) 3.660 10.487 ( 0.000 -2.102 -8.713) 8.963 10.487 ( 0.000 2.102 -8.713) 8.963 12.572 ( 0.000 -2.284 0.653) 2.376 12.572 ( 0.000 2.284 0.653) 2.376 12.639 ( 0.000 -2.234 -1.769) 2.849 12.639 ( 0.000 2.234 -1.769) 2.849 12.905 ( 0.000 -2.366 12.662) 12.881 12.905 ( 0.000 2.366 12.662) 12.881 13.111 ( 0.000 -1.996 4.914) 5.304 13.111 ( 0.000 1.996 4.914) 5.304 13.424 ( 0.000 -1.470 -3.050) 3.386 13.424 ( 0.000 1.470 -3.050) 3.386 13.510 ( 0.000 -1.275 -3.348) 3.582 13.510 ( 0.000 1.275 -3.348) 3.582 13.714 ( 0.000 -4.746 -0.602) 4.784 13.714 ( 0.000 4.746 -0.602) 4.784 13.752 ( 0.000 -0.149 1.074) 1.085 13.752 ( 0.000 0.150 1.075) 1.085 13.845 ( 0.000 -2.915 0.268) 2.928 13.845 ( 0.000 2.915 0.268) 2.928 13.957 ( 0.000 -3.135 -1.200) 3.357 13.957 ( 0.000 3.135 -1.200) 3.357 14.034 ( 0.000 -6.574 1.517) 6.747 14.034 ( 0.000 6.574 1.517) 6.747 14.333 ( 0.000 -0.088 0.324) 0.336 14.333 ( 0.000 0.088 0.324) 0.336 14.516 ( 0.000 -0.890 0.839) 1.223 14.516 ( 0.000 0.890 0.839) 1.223 14.550 ( 0.000 -1.994 0.428) 2.040 14.550 ( 0.000 1.995 0.428) 2.040 14.723 ( 0.000 -2.069 1.201) 2.392 14.723 ( 0.000 2.069 1.201) 2.392 14.961 ( 0.000 -3.627 -4.762) 5.986 14.961 ( 0.000 3.628 -4.762) 5.986 15.211 ( 0.000 -1.744 0.866) 1.947 15.211 ( 0.000 1.744 0.866) 1.947 15.327 ( 0.000 -0.514 -8.130) 8.146 15.327 ( 0.000 0.514 -8.130) 8.146 15.530 ( 0.000 -10.504 3.602) 11.105 15.530 ( 0.000 10.504 3.602) 11.105 15.952 ( 0.000 -10.810 -12.288) 16.367 15.952 ( 0.000 10.811 -12.288) 16.367 16.794 ( 0.000 -1.414 14.076) 14.146 16.794 ( 0.000 1.414 14.075) 14.146 17.881 ( 0.000 -7.138 -26.117) 27.075 17.882 ( 0.000 7.139 -26.117) 27.076 18.104 ( 0.000 -0.128 20.949) 20.949 18.104 ( 0.000 0.129 20.950) 20.950 19.379 ( 0.000 -15.330 -20.865) 25.891 19.379 ( 0.000 15.330 -20.865) 25.892 ======================= Grid point 189 (68/90) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( 6.251 -31.929 15.953) 36.236 2.915 ( 6.251 31.929 15.953) 36.236 3.168 ( 9.920 -13.932 37.768) 41.460 3.168 ( 9.920 13.932 37.768) 41.460 4.427 ( 6.493 -7.157 -23.277) 25.203 4.427 ( 6.493 7.157 -23.277) 25.203 4.730 ( 13.043 -8.006 28.867) 32.673 4.730 ( 13.043 8.006 28.867) 32.673 5.251 ( 8.101 -7.828 24.204) 26.697 5.251 ( 8.101 7.828 24.204) 26.697 5.493 ( -7.954 -10.537 -4.397) 13.915 5.493 ( -7.954 10.537 -4.397) 13.915 6.056 ( 8.124 -6.100 -7.102) 12.396 6.056 ( 8.124 6.101 -7.102) 12.396 6.357 ( -4.501 -2.448 -9.737) 11.003 6.357 ( -4.501 2.448 -9.737) 11.003 6.595 ( 4.272 -4.179 -9.533) 11.251 6.595 ( 4.272 4.179 -9.533) 11.251 7.423 ( -6.856 -5.577 2.624) 9.220 7.423 ( -6.856 5.578 2.624) 9.220 7.582 ( -4.646 -0.818 0.585) 4.753 7.582 ( -4.646 0.819 0.585) 4.753 8.097 ( -9.746 -1.162 21.133) 23.301 8.097 ( -9.746 1.162 21.133) 23.302 8.200 ( 3.478 -7.729 -20.061) 21.778 8.200 ( 3.479 7.729 -20.062) 21.779 8.740 ( 3.349 -0.851 -11.407) 11.918 8.740 ( 3.349 0.852 -11.407) 11.919 8.942 ( -3.686 -4.239 -10.675) 12.063 8.942 ( -3.686 4.241 -10.675) 12.064 9.378 ( -21.699 -0.372 -2.760) 21.877 9.378 ( -21.699 0.372 -2.760) 21.877 10.095 ( 11.303 -1.238 -4.082) 12.080 10.095 ( 11.303 1.238 -4.082) 12.080 10.408 ( -8.008 -1.746 -7.047) 10.809 10.408 ( -8.008 1.746 -7.047) 10.809 12.515 ( -4.360 -1.928 1.590) 5.025 12.515 ( -4.360 1.928 1.590) 5.025 12.611 ( -2.723 -2.007 -2.012) 3.936 12.611 ( -2.723 2.007 -2.012) 3.936 12.985 ( 5.739 -2.000 10.129) 11.812 12.985 ( 5.739 2.000 10.129) 11.812 13.106 ( 0.445 -1.839 5.767) 6.069 13.106 ( 0.445 1.839 5.767) 6.069 13.405 ( -1.713 -1.283 -4.534) 5.014 13.405 ( -1.713 1.283 -4.534) 5.014 13.530 ( 1.700 -0.867 -1.531) 2.446 13.530 ( 1.700 0.867 -1.531) 2.446 13.705 ( -1.956 -2.238 0.709) 3.056 13.705 ( -1.956 2.238 0.708) 3.056 13.728 ( -1.264 -1.417 1.929) 2.706 13.728 ( -1.264 1.416 1.929) 2.707 13.893 ( 4.222 -2.580 -0.439) 4.967 13.893 ( 4.222 2.580 -0.439) 4.968 13.969 ( 3.300 -1.642 -0.553) 3.728 13.969 ( 3.300 1.642 -0.553) 3.728 14.134 ( 6.961 -4.932 0.871) 8.575 14.134 ( 6.961 4.932 0.871) 8.575 14.332 ( 0.038 -0.097 0.084) 0.134 14.332 ( 0.039 0.098 0.084) 0.134 14.534 ( 1.896 -1.984 0.038) 2.744 14.534 ( 1.896 1.984 0.038) 2.744 14.571 ( 2.219 -0.878 1.594) 2.869 14.571 ( 2.219 0.878 1.593) 2.869 14.724 ( -0.187 -1.139 0.814) 1.412 14.724 ( -0.188 1.139 0.814) 1.413 14.902 ( -3.976 -2.305 -2.696) 5.328 14.902 ( -3.976 2.305 -2.696) 5.328 15.240 ( 1.915 -0.992 -1.989) 2.934 15.240 ( 1.915 0.992 -1.989) 2.934 15.311 ( -0.968 -2.632 -8.835) 9.270 15.311 ( -0.968 2.632 -8.835) 9.270 15.609 ( 6.825 -10.017 3.164) 12.527 15.609 ( 6.825 10.017 3.164) 12.527 16.015 ( 6.251 -12.281 -11.296) 17.819 16.015 ( 6.251 12.282 -11.296) 17.819 16.800 ( 0.453 -2.547 13.692) 13.934 16.800 ( 0.453 2.547 13.692) 13.934 17.814 ( -6.415 -7.530 -23.408) 25.412 17.814 ( -6.416 7.531 -23.408) 25.413 18.072 ( -3.173 -0.649 19.807) 20.070 18.072 ( -3.173 0.649 19.807) 20.070 19.294 ( -8.380 -14.461 -19.874) 25.968 19.294 ( -8.380 14.461 -19.874) 25.968 ======================= Grid point 191 (69/90) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 13.221 -25.144 17.841) 33.546 3.106 ( 13.221 25.144 17.841) 33.546 3.460 ( 18.869 -13.231 29.171) 37.176 3.460 ( 18.869 13.231 29.171) 37.176 4.596 ( 10.205 -5.716 -15.290) 19.251 4.596 ( 10.205 5.716 -15.290) 19.251 4.925 ( 6.612 -5.193 -3.113) 8.966 4.925 ( 6.612 5.193 -3.113) 8.966 5.329 ( -6.830 -12.058 -9.024) 16.537 5.329 ( -6.830 12.058 -9.024) 16.537 5.639 ( 27.408 -2.414 40.576) 49.025 5.639 ( 27.407 2.414 40.576) 49.025 6.145 ( 1.095 -4.890 -17.797) 18.489 6.145 ( 1.095 4.890 -17.797) 18.489 6.378 ( 7.240 -6.642 6.234) 11.635 6.378 ( 7.240 6.642 6.234) 11.635 6.625 ( -1.814 -8.312 -6.234) 10.548 6.625 ( -1.814 8.312 -6.234) 10.548 7.236 ( -10.359 -13.441 4.638) 17.593 7.236 ( -10.359 13.441 4.638) 17.593 7.470 ( -7.153 -4.075 1.173) 8.315 7.470 ( -7.153 4.075 1.173) 8.315 7.800 ( -18.719 -0.714 20.430) 27.718 7.800 ( -18.719 0.715 20.430) 27.718 8.285 ( 2.917 -9.011 -13.303) 16.330 8.285 ( 2.917 9.011 -13.303) 16.330 8.675 ( -17.133 -2.985 -2.340) 17.548 8.675 ( -17.133 2.985 -2.340) 17.548 8.876 ( -2.949 -4.505 -9.568) 10.979 8.876 ( -2.948 4.506 -9.569) 10.980 9.097 ( 2.152 -2.542 -19.117) 19.405 9.097 ( 2.151 2.543 -19.117) 19.404 10.169 ( -15.321 -0.732 -2.402) 15.525 10.169 ( -15.321 0.733 -2.402) 15.525 10.264 ( 4.997 -0.895 -7.787) 9.296 10.264 ( 4.997 0.895 -7.787) 9.296 12.436 ( -3.331 -1.561 1.423) 3.945 12.436 ( -3.331 1.561 1.423) 3.945 12.540 ( -4.221 -1.618 -2.060) 4.968 12.540 ( -4.221 1.618 -2.060) 4.968 13.023 ( -1.150 -1.383 5.236) 5.536 13.023 ( -1.150 1.383 5.236) 5.536 13.197 ( 7.368 -3.230 8.877) 11.980 13.197 ( 7.368 3.230 8.877) 11.980 13.364 ( -2.351 -1.154 -5.074) 5.710 13.364 ( -2.351 1.154 -5.074) 5.710 13.565 ( 1.604 -1.264 1.094) 2.317 13.565 ( 1.604 1.264 1.094) 2.317 13.650 ( -2.767 -1.177 2.781) 4.096 13.650 ( -2.767 1.177 2.781) 4.096 13.707 ( -0.824 -1.403 0.016) 1.627 13.707 ( -0.824 1.403 0.016) 1.627 14.000 ( 5.970 -2.468 1.776) 6.700 14.000 ( 5.970 2.468 1.776) 6.700 14.067 ( 5.687 -0.554 -0.799) 5.769 14.067 ( 5.687 0.554 -0.799) 5.769 14.240 ( 3.208 -2.214 0.827) 3.984 14.240 ( 3.208 2.214 0.827) 3.984 14.335 ( 0.106 -1.338 0.489) 1.428 14.335 ( 0.106 1.338 0.489) 1.428 14.585 ( 2.056 -0.870 -0.399) 2.267 14.585 ( 2.056 0.870 -0.399) 2.267 14.641 ( 4.203 -3.626 2.029) 5.910 14.641 ( 4.203 3.626 2.029) 5.910 14.702 ( -0.934 -1.632 -0.011) 1.880 14.702 ( -0.934 1.632 -0.011) 1.880 14.876 ( 2.076 -0.978 -1.778) 2.903 14.876 ( 2.076 0.978 -1.778) 2.903 15.240 ( -2.811 -1.331 -6.334) 7.056 15.240 ( -2.811 1.331 -6.334) 7.056 15.339 ( 5.347 -4.113 -7.684) 10.225 15.339 ( 5.347 4.113 -7.684) 10.225 15.769 ( 8.953 -10.391 3.450) 14.143 15.769 ( 8.953 10.391 3.450) 14.143 16.185 ( 10.428 -12.976 -9.866) 19.351 16.185 ( 10.428 12.977 -9.866) 19.351 16.805 ( -0.051 -5.455 12.518) 13.655 16.805 ( -0.051 5.456 12.517) 13.655 17.654 ( -9.141 -7.627 -17.483) 21.152 17.654 ( -9.141 7.628 -17.484) 21.153 17.989 ( -4.739 -2.667 15.990) 16.890 17.989 ( -4.739 2.668 15.990) 16.890 19.063 ( -14.533 -12.157 -17.787) 25.989 19.063 ( -14.533 12.158 -17.787) 25.989 ======================= Grid point 193 (70/90) ======================= q-point: ( 0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.432 ( 19.319 -15.184 17.590) 30.219 3.432 ( 19.319 15.184 17.590) 30.219 3.850 ( 18.485 -11.758 17.285) 27.906 3.850 ( 18.485 11.758 17.285) 27.906 4.830 ( 13.721 -5.228 0.842) 14.707 4.830 ( 13.721 5.228 0.842) 14.707 5.036 ( 3.253 -4.378 -16.151) 17.047 5.036 ( 3.253 4.378 -16.151) 17.047 5.215 ( -2.832 -9.564 -3.980) 10.739 5.215 ( -2.832 9.564 -3.980) 10.739 6.034 ( 6.551 -2.202 -1.211) 7.016 6.034 ( 6.551 2.202 -1.211) 7.017 6.279 ( 10.949 -5.870 -3.406) 12.882 6.279 ( 10.949 5.870 -3.406) 12.882 6.501 ( -1.671 -9.418 -2.642) 9.923 6.501 ( -1.671 9.418 -2.642) 9.923 6.689 ( 21.244 -5.923 23.023) 31.882 6.689 ( 21.244 5.923 23.023) 31.882 7.046 ( -11.139 -7.955 6.837) 15.300 7.046 ( -11.139 7.955 6.837) 15.301 7.254 ( -14.417 -2.608 13.977) 20.249 7.254 ( -14.417 2.608 13.977) 20.249 7.465 ( -11.140 -6.055 1.336) 12.749 7.465 ( -11.140 6.055 1.336) 12.750 8.083 ( -26.555 -2.116 -3.330) 26.846 8.083 ( -26.555 2.116 -3.330) 26.846 8.422 ( -0.883 -5.642 -3.246) 6.569 8.422 ( -0.883 5.642 -3.246) 6.569 8.826 ( -1.909 -0.748 -3.981) 4.477 8.826 ( -1.908 0.749 -3.980) 4.477 9.320 ( 14.555 -3.185 -27.496) 31.273 9.320 ( 14.555 3.185 -27.496) 31.274 9.802 ( -20.257 -2.081 3.058) 20.592 9.802 ( -20.257 2.081 3.058) 20.592 10.309 ( -0.667 -0.287 -12.922) 12.942 10.309 ( -0.667 0.287 -12.922) 12.942 12.387 ( -1.738 -1.371 0.667) 2.312 12.387 ( -1.738 1.371 0.667) 2.312 12.456 ( -3.932 -1.354 -1.319) 4.363 12.456 ( -3.932 1.354 -1.319) 4.363 12.991 ( -1.681 -1.565 4.938) 5.445 12.991 ( -1.681 1.565 4.938) 5.445 13.291 ( -1.183 -0.671 -3.073) 3.361 13.291 ( -1.183 0.671 -3.073) 3.361 13.354 ( 4.166 -2.453 6.630) 8.205 13.354 ( 4.166 2.453 6.629) 8.205 13.580 ( -0.345 -1.504 2.784) 3.183 13.580 ( -0.345 1.504 2.784) 3.183 13.618 ( -0.048 -1.769 2.537) 3.093 13.618 ( -0.048 1.769 2.537) 3.093 13.700 ( 0.060 -0.659 -0.509) 0.835 13.700 ( 0.060 0.659 -0.509) 0.835 14.105 ( 4.259 -1.747 2.787) 5.382 14.105 ( 4.260 1.747 2.787) 5.382 14.170 ( 4.360 -0.256 -1.141) 4.514 14.170 ( 4.360 0.256 -1.141) 4.514 14.273 ( 0.503 -1.433 1.867) 2.406 14.273 ( 0.503 1.433 1.867) 2.406 14.335 ( 0.141 -0.700 0.999) 1.228 14.335 ( 0.141 0.700 0.999) 1.228 14.590 ( -1.562 -1.463 1.816) 2.807 14.590 ( -1.562 1.463 1.816) 2.807 14.626 ( -1.691 -2.222 0.207) 2.800 14.626 ( -1.691 2.222 0.207) 2.800 14.792 ( 5.644 -2.097 -1.530) 6.213 14.792 ( 5.644 2.097 -1.530) 6.213 14.952 ( 3.910 -2.392 -2.741) 5.341 14.952 ( 3.910 2.392 -2.741) 5.341 15.177 ( -2.057 -2.194 -2.987) 4.238 15.177 ( -2.057 2.194 -2.987) 4.239 15.505 ( 10.621 -3.525 -7.929) 13.715 15.506 ( 10.621 3.525 -7.929) 13.715 15.950 ( 9.182 -10.732 4.546) 14.838 15.950 ( 9.182 10.733 4.547) 14.838 16.397 ( 9.828 -8.744 -6.778) 14.798 16.397 ( 9.828 8.744 -6.778) 14.798 16.802 ( 0.449 -8.669 8.177) 11.925 16.802 ( 0.449 8.669 8.176) 11.925 17.471 ( -9.034 -5.569 -12.164) 16.142 17.472 ( -9.034 5.570 -12.164) 16.143 17.906 ( -3.115 -4.485 9.731) 11.158 17.906 ( -3.115 4.485 9.731) 11.159 18.740 ( -17.661 -8.729 -15.492) 25.062 18.740 ( -17.661 8.729 -15.492) 25.062 ======================= Grid point 195 (71/90) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( 20.601 -4.657 13.635) 25.139 3.839 ( 20.601 4.657 13.635) 25.139 4.125 ( 8.996 -8.123 6.731) 13.864 4.125 ( 8.996 8.123 6.731) 13.864 4.854 ( -12.395 -2.919 -0.564) 12.747 4.854 ( -12.395 2.919 -0.564) 12.747 5.255 ( 6.516 -6.077 -7.694) 11.772 5.255 ( 6.516 6.077 -7.694) 11.772 5.277 ( 21.107 -6.162 11.530) 24.828 5.277 ( 21.107 6.162 11.530) 24.828 6.109 ( 3.495 -2.646 -8.413) 9.487 6.109 ( 3.495 2.646 -8.413) 9.487 6.324 ( -2.341 -6.019 -9.897) 11.818 6.324 ( -2.341 6.019 -9.897) 11.818 6.560 ( -7.375 -2.781 -0.721) 7.914 6.560 ( -7.375 2.781 -0.721) 7.915 6.632 ( -9.531 -5.177 7.088) 12.957 6.632 ( -9.531 5.177 7.088) 12.957 7.010 ( -2.589 -0.533 4.806) 5.485 7.010 ( -2.589 0.534 4.806) 5.485 7.263 ( 5.302 -12.663 4.239) 14.368 7.263 ( 5.301 12.664 4.239) 14.368 7.436 ( 6.860 -3.343 10.831) 13.249 7.436 ( 6.860 3.343 10.831) 13.249 7.557 ( -10.753 -2.573 2.679) 11.376 7.557 ( -10.753 2.573 2.679) 11.376 8.412 ( -2.361 -1.676 0.970) 3.054 8.412 ( -2.361 1.677 0.970) 3.054 8.777 ( -3.972 -2.595 2.009) 5.153 8.777 ( -3.971 2.596 2.010) 5.153 9.303 ( -17.592 -6.418 4.069) 19.163 9.303 ( -17.592 6.418 4.070) 19.163 9.708 ( 13.387 -1.478 -23.325) 26.934 9.708 ( 13.387 1.478 -23.325) 26.934 10.238 ( -6.342 -0.630 -18.943) 19.986 10.238 ( -6.342 0.630 -18.943) 19.986 12.364 ( -0.678 -1.256 0.110) 1.432 12.364 ( -0.678 1.256 0.110) 1.432 12.393 ( -2.251 -1.234 -0.327) 2.588 12.393 ( -2.251 1.234 -0.327) 2.588 12.963 ( -1.091 -1.548 5.101) 5.441 12.963 ( -1.091 1.548 5.101) 5.441 13.248 ( -1.883 -0.984 -4.192) 4.699 13.248 ( -1.883 0.984 -4.192) 4.699 13.425 ( 2.026 -1.522 6.615) 7.083 13.425 ( 2.027 1.522 6.615) 7.084 13.577 ( 0.426 -1.000 4.083) 4.225 13.577 ( 0.426 1.000 4.083) 4.225 13.627 ( 0.469 -1.467 0.596) 1.651 13.627 ( 0.469 1.467 0.596) 1.651 13.706 ( 0.396 -1.352 0.805) 1.622 13.706 ( 0.396 1.352 0.805) 1.622 14.158 ( 1.129 -1.730 1.939) 2.833 14.158 ( 1.129 1.730 1.939) 2.833 14.230 ( 1.708 -0.802 -1.809) 2.614 14.230 ( 1.708 0.803 -1.809) 2.614 14.276 ( 0.074 -1.794 4.042) 4.422 14.276 ( 0.074 1.794 4.042) 4.422 14.348 ( 1.072 -0.624 1.697) 2.102 14.348 ( 1.072 0.624 1.697) 2.102 14.551 ( -1.681 -1.973 2.664) 3.716 14.551 ( -1.681 1.973 2.664) 3.717 14.606 ( -0.618 -1.120 -0.169) 1.290 14.606 ( -0.618 1.120 -0.169) 1.290 14.873 ( 2.540 -1.477 -3.200) 4.344 14.873 ( 2.540 1.477 -3.200) 4.344 14.973 ( -1.200 -1.537 -5.865) 6.180 14.973 ( -1.200 1.537 -5.865) 6.180 15.202 ( 3.491 -4.078 5.199) 7.473 15.202 ( 3.491 4.078 5.199) 7.473 15.708 ( 8.466 -1.826 -7.516) 11.467 15.708 ( 8.467 1.826 -7.516) 11.468 16.119 ( 7.506 -9.746 6.831) 14.071 16.119 ( 7.506 9.746 6.831) 14.071 16.495 ( -0.660 -2.711 3.976) 4.857 16.495 ( -0.660 2.711 3.976) 4.858 16.886 ( 8.506 -7.047 -5.323) 12.261 16.886 ( 8.506 7.047 -5.323) 12.261 17.302 ( -8.047 -1.484 -9.604) 12.618 17.302 ( -8.048 1.484 -9.604) 12.618 17.888 ( 1.716 -5.022 2.669) 5.941 17.888 ( 1.716 5.022 2.669) 5.941 18.394 ( -16.292 -3.974 -12.502) 20.917 18.394 ( -16.292 3.974 -12.502) 20.917 ======================= Grid point 197 (72/90) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.100 ( -0.000 -5.272 6.584) 8.434 4.100 ( 0.000 5.272 6.584) 8.434 4.231 ( 0.000 -8.378 3.145) 8.949 4.231 ( 0.000 8.378 3.145) 8.949 4.647 ( 0.000 -2.927 12.262) 12.607 4.647 ( 0.000 2.927 12.262) 12.607 5.289 ( 0.000 -10.407 -11.557) 15.552 5.289 ( -0.000 10.407 -11.557) 15.552 5.678 ( 0.000 -0.161 21.342) 21.342 5.678 ( 0.000 0.161 21.342) 21.342 6.123 ( 0.000 -1.206 7.515) 7.611 6.123 ( -0.000 1.206 7.515) 7.611 6.181 ( -0.000 -3.114 -9.559) 10.053 6.181 ( 0.000 3.114 -9.559) 10.053 6.311 ( 0.000 -1.209 -5.443) 5.576 6.311 ( 0.000 1.209 -5.443) 5.576 6.792 ( -0.000 -0.315 -10.337) 10.342 6.792 ( -0.000 0.315 -10.337) 10.341 7.009 ( -0.000 -4.200 1.039) 4.326 7.009 ( 0.000 4.200 1.039) 4.327 7.099 ( 0.000 -2.604 -9.715) 10.058 7.099 ( 0.000 2.604 -9.714) 10.057 7.274 ( 0.000 -10.347 -2.053) 10.549 7.274 ( 0.000 10.348 -2.053) 10.549 7.925 ( 0.000 -5.504 17.718) 18.554 7.925 ( 0.000 5.504 17.718) 18.554 8.301 ( -0.000 -3.873 10.651) 11.333 8.301 ( -0.000 3.873 10.650) 11.333 8.699 ( 0.000 -4.672 8.803) 9.965 8.699 ( 0.000 4.672 8.803) 9.966 9.105 ( 0.000 -11.577 2.269) 11.797 9.105 ( 0.000 11.578 2.269) 11.798 9.909 ( -0.000 -0.235 -21.203) 21.204 9.909 ( -0.000 0.235 -21.203) 21.204 10.120 ( 0.000 -1.207 -24.857) 24.887 10.120 ( 0.000 1.207 -24.857) 24.887 12.357 ( 0.000 -1.219 -0.007) 1.219 12.357 ( 0.000 1.219 -0.007) 1.219 12.371 ( 0.000 -1.211 0.050) 1.212 12.371 ( 0.000 1.211 0.050) 1.212 12.952 ( 0.000 -1.536 5.194) 5.416 12.952 ( 0.000 1.536 5.194) 5.416 13.229 ( 0.000 -0.869 -3.865) 3.962 13.229 ( 0.000 0.869 -3.865) 3.962 13.442 ( 0.000 -0.504 5.359) 5.382 13.442 ( 0.000 0.504 5.359) 5.382 13.585 ( 0.000 -0.049 4.938) 4.939 13.585 ( 0.000 0.049 4.938) 4.939 13.632 ( -0.000 -0.999 -0.663) 1.199 13.632 ( 0.000 0.999 -0.663) 1.199 13.710 ( 0.000 -1.585 1.716) 2.336 13.710 ( 0.000 1.585 1.716) 2.336 14.165 ( 0.000 -1.993 1.690) 2.613 14.165 ( 0.000 1.993 1.690) 2.613 14.245 ( -0.000 -1.120 -1.633) 1.980 14.245 ( 0.000 1.120 -1.633) 1.980 14.277 ( 0.000 -1.562 4.020) 4.313 14.277 ( 0.000 1.562 4.020) 4.313 14.362 ( 0.000 -0.294 2.369) 2.387 14.362 ( 0.000 0.294 2.369) 2.387 14.534 ( 0.000 -2.367 2.857) 3.710 14.534 ( 0.000 2.367 2.857) 3.710 14.600 ( 0.000 -0.692 -0.244) 0.734 14.600 ( -0.000 0.693 -0.244) 0.734 14.897 ( 0.000 -1.429 -3.741) 4.004 14.897 ( 0.000 1.429 -3.741) 4.004 14.956 ( 0.000 -1.836 -5.790) 6.074 14.956 ( 0.000 1.836 -5.790) 6.074 15.245 ( 0.000 -5.204 7.579) 9.194 15.245 ( 0.000 5.204 7.579) 9.194 15.797 ( 0.000 -5.315 -7.355) 9.075 15.797 ( 0.000 5.315 -7.356) 9.075 16.210 ( 0.000 -9.132 9.584) 13.238 16.210 ( 0.000 9.132 9.584) 13.238 16.459 ( -0.000 -2.422 5.644) 6.141 16.459 ( -0.000 2.422 5.644) 6.142 17.027 ( -0.000 -2.388 -9.223) 9.527 17.027 ( 0.000 2.388 -9.223) 9.527 17.184 ( 0.000 -1.198 -9.661) 9.735 17.184 ( 0.000 1.198 -9.660) 9.734 17.941 ( 0.000 -7.045 -2.090) 7.348 17.941 ( -0.000 7.045 -2.090) 7.349 18.187 ( 0.000 -1.142 -9.450) 9.518 18.187 ( 0.000 1.143 -9.450) 9.518 ======================= Grid point 220 (73/90) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 0.000 0.000 45.154) 45.154 3.376 ( 0.000 0.000 -44.394) 44.394 3.427 ( 0.000 0.000 29.146) 29.146 3.659 ( 0.000 0.000 -0.207) 0.207 4.287 ( 0.000 0.000 39.912) 39.912 4.313 ( 0.000 0.000 -3.628) 3.628 4.590 ( 0.000 0.000 -27.498) 27.498 4.986 ( 0.000 0.000 -25.338) 25.338 5.008 ( 0.000 0.000 19.315) 19.315 5.285 ( 0.000 0.000 -20.119) 20.119 5.903 ( 0.000 0.000 21.474) 21.474 5.959 ( 0.000 0.000 51.543) 51.543 6.041 ( 0.000 0.000 14.308) 14.308 6.188 ( 0.000 0.000 -6.924) 6.924 6.335 ( 0.000 0.000 -8.127) 8.127 6.401 ( 0.000 0.000 39.975) 39.975 6.468 ( 0.000 0.000 -1.259) 1.259 6.532 ( 0.000 0.000 -8.874) 8.874 6.988 ( 0.000 0.000 -38.270) 38.270 7.365 ( 0.000 0.000 -52.727) 52.727 7.576 ( 0.000 0.000 1.854) 1.854 7.596 ( 0.000 0.000 0.343) 0.343 7.696 ( 0.000 0.000 0.304) 0.304 7.732 ( 0.000 0.000 -5.132) 5.132 8.497 ( 0.000 0.000 -1.130) 1.130 8.541 ( 0.000 0.000 -3.799) 3.799 8.774 ( 0.000 0.000 26.506) 26.506 8.780 ( 0.000 0.000 26.739) 26.739 8.837 ( 0.000 0.000 8.318) 8.318 8.938 ( 0.000 0.000 -6.372) 6.372 9.301 ( 0.000 0.000 -26.926) 26.926 9.338 ( 0.000 0.000 -26.815) 26.815 10.045 ( 0.000 0.000 12.238) 12.238 10.132 ( 0.000 0.000 13.563) 13.563 10.252 ( 0.000 0.000 -9.859) 9.859 10.361 ( 0.000 0.000 -10.667) 10.667 12.526 ( 0.000 0.000 1.028) 1.028 12.549 ( 0.000 0.000 -1.422) 1.422 12.643 ( 0.000 0.000 0.853) 0.853 12.666 ( 0.000 0.000 -1.534) 1.534 13.093 ( 0.000 0.000 12.827) 12.827 13.175 ( 0.000 0.000 6.643) 6.643 13.201 ( 0.000 0.000 12.110) 12.110 13.269 ( 0.000 0.000 5.849) 5.849 13.270 ( 0.000 0.000 -6.407) 6.407 13.354 ( 0.000 0.000 -10.847) 10.847 13.373 ( 0.000 0.000 -6.214) 6.214 13.426 ( 0.000 0.000 -9.529) 9.529 13.617 ( 0.000 0.000 3.807) 3.807 13.694 ( 0.000 0.000 -3.853) 3.853 13.771 ( 0.000 0.000 1.498) 1.498 13.782 ( 0.000 0.000 -0.381) 0.381 13.798 ( 0.000 0.000 0.437) 0.437 13.802 ( 0.000 0.000 0.294) 0.294 14.054 ( 0.000 0.000 6.755) 6.755 14.090 ( 0.000 0.000 3.791) 3.791 14.132 ( 0.000 0.000 -0.547) 0.547 14.197 ( 0.000 0.000 -7.654) 7.654 14.287 ( 0.000 0.000 5.407) 5.407 14.355 ( 0.000 0.000 0.952) 0.952 14.536 ( 0.000 0.000 3.471) 3.471 14.543 ( 0.000 0.000 -1.771) 1.771 14.621 ( 0.000 0.000 3.283) 3.283 14.626 ( 0.000 0.000 4.748) 4.748 14.667 ( 0.000 0.000 0.687) 0.687 14.754 ( 0.000 0.000 -6.735) 6.735 14.811 ( 0.000 0.000 3.175) 3.175 14.901 ( 0.000 0.000 -6.216) 6.216 15.172 ( 0.000 0.000 -2.212) 2.212 15.180 ( 0.000 0.000 0.288) 0.288 15.187 ( 0.000 0.000 -4.195) 4.195 15.197 ( 0.000 0.000 2.502) 2.502 15.284 ( 0.000 0.000 -5.417) 5.417 15.294 ( 0.000 0.000 -11.706) 11.706 15.934 ( 0.000 0.000 6.344) 6.344 16.071 ( 0.000 0.000 -8.056) 8.056 16.935 ( 0.000 0.000 10.384) 10.384 17.228 ( 0.000 0.000 -21.151) 21.151 17.249 ( 0.000 0.000 28.483) 28.483 17.781 ( 0.000 0.000 -26.984) 26.984 18.334 ( 0.000 0.000 11.686) 11.686 18.555 ( 0.000 0.000 -11.595) 11.595 18.716 ( 0.000 0.000 30.143) 30.143 19.249 ( 0.000 0.000 -26.193) 26.193 ======================= Grid point 221 (74/90) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 13.906 0.000 43.333) 45.510 3.411 ( 4.512 0.000 -3.710) 5.841 3.555 ( 12.003 0.000 -12.892) 17.615 3.684 ( 2.668 0.000 0.507) 2.715 4.350 ( 6.604 0.000 31.543) 32.227 4.375 ( 6.563 0.000 2.908) 7.178 4.619 ( 3.147 0.000 -25.055) 25.251 4.966 ( -3.615 0.000 -9.953) 10.590 5.006 ( -0.965 0.000 11.455) 11.496 5.203 ( -4.110 0.000 -26.775) 27.088 5.899 ( -7.889 0.000 5.312) 9.511 5.920 ( 0.374 0.000 2.209) 2.241 6.157 ( 12.435 0.000 42.139) 43.935 6.259 ( 1.255 0.000 32.674) 32.698 6.265 ( 4.223 0.000 4.617) 6.257 6.511 ( 0.930 0.000 -7.011) 7.073 6.527 ( 7.726 0.000 -3.894) 8.652 6.667 ( 16.290 0.000 20.213) 25.960 7.052 ( 4.005 0.000 -29.583) 29.853 7.470 ( -1.797 0.000 -18.341) 18.429 7.517 ( -8.252 0.000 -3.338) 8.902 7.522 ( 8.301 0.000 -34.828) 35.804 7.682 ( -0.615 0.000 2.215) 2.299 7.728 ( -0.308 0.000 -4.694) 4.704 8.517 ( -4.021 0.000 3.707) 5.469 8.533 ( 3.308 0.000 -3.430) 4.766 8.620 ( -13.975 0.000 26.656) 30.097 8.679 ( -9.512 0.000 20.573) 22.666 8.822 ( -1.376 0.000 4.202) 4.422 8.893 ( -4.835 0.000 -5.852) 7.590 9.108 ( -17.693 0.000 -21.721) 28.015 9.145 ( -17.054 0.000 -20.972) 27.031 10.099 ( 3.759 0.000 5.796) 6.909 10.169 ( 2.340 0.000 6.584) 6.988 10.225 ( -2.941 0.000 -7.044) 7.633 10.314 ( -4.917 0.000 -7.828) 9.244 12.492 ( -3.069 0.000 1.533) 3.431 12.522 ( -2.555 0.000 -1.727) 3.084 12.594 ( -4.212 0.000 1.499) 4.471 12.626 ( -3.636 0.000 -1.926) 4.115 13.136 ( 0.543 0.000 7.249) 7.270 13.144 ( 1.149 0.000 10.160) 10.225 13.248 ( 0.004 0.000 8.310) 8.310 13.253 ( -1.720 0.000 -5.891) 6.137 13.306 ( 6.969 0.000 8.676) 11.128 13.319 ( -1.797 0.000 -7.367) 7.584 13.412 ( 1.948 0.000 -8.716) 8.931 13.473 ( 5.143 0.000 -7.625) 9.197 13.660 ( 2.490 0.000 4.001) 4.712 13.721 ( -1.227 0.000 -1.011) 1.590 13.758 ( -0.921 0.000 0.436) 1.019 13.775 ( 0.382 0.000 -1.018) 1.087 13.809 ( 3.549 0.000 1.184) 3.741 13.837 ( 3.027 0.000 -1.443) 3.353 14.010 ( 0.250 0.000 3.265) 3.275 14.072 ( -1.576 0.000 -2.823) 3.233 14.178 ( 4.595 0.000 5.294) 7.010 14.279 ( 3.062 0.000 -4.950) 5.821 14.363 ( 5.807 0.000 4.381) 7.275 14.386 ( 2.906 0.000 4.524) 5.377 14.552 ( 1.918 0.000 1.866) 2.676 14.569 ( 2.885 0.000 -2.606) 3.888 14.617 ( -0.585 0.000 5.593) 5.623 14.637 ( 0.797 0.000 2.301) 2.435 14.666 ( 0.535 0.000 -0.159) 0.558 14.759 ( 0.787 0.000 -5.852) 5.905 14.818 ( 1.149 0.000 2.505) 2.756 14.867 ( -1.839 0.000 -3.140) 3.639 15.102 ( -3.308 0.000 -2.325) 4.044 15.134 ( -3.130 0.000 -5.785) 6.577 15.210 ( 0.741 0.000 0.143) 0.755 15.270 ( 4.777 0.000 -6.296) 7.903 15.333 ( 4.712 0.000 -3.202) 5.697 15.340 ( 4.369 0.000 -5.282) 6.855 16.009 ( 7.196 0.000 6.890) 9.962 16.157 ( 7.953 0.000 -8.542) 11.671 16.956 ( 2.018 0.000 9.115) 9.335 17.201 ( -4.600 0.000 24.011) 24.448 17.214 ( -1.548 0.000 -14.971) 15.051 17.719 ( -6.213 0.000 -26.343) 27.065 18.312 ( -2.261 0.000 11.120) 11.348 18.522 ( -3.302 0.000 -10.998) 11.483 18.640 ( -7.539 0.000 29.302) 30.256 19.161 ( -8.742 0.000 -25.603) 27.055 ======================= Grid point 222 (75/90) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 24.146 0.000 38.342) 45.311 3.560 ( 10.212 0.000 6.867) 12.307 3.769 ( 6.116 0.000 3.020) 6.821 3.884 ( 20.844 0.000 -27.817) 34.760 4.541 ( 12.085 0.000 2.457) 12.332 4.595 ( 16.267 0.000 27.346) 31.819 4.724 ( 7.572 0.000 -17.588) 19.149 4.806 ( -10.579 0.000 7.940) 13.227 4.951 ( -4.219 0.000 -2.399) 4.854 5.258 ( 9.264 0.000 -34.492) 35.714 5.747 ( -5.936 0.000 4.250) 7.300 5.910 ( -0.666 0.000 -11.061) 11.081 6.195 ( -9.573 0.000 3.140) 10.075 6.203 ( -3.638 0.000 6.940) 7.836 6.556 ( 19.201 0.000 38.364) 42.901 6.682 ( 13.085 0.000 5.129) 14.054 6.759 ( 15.235 0.000 12.171) 19.500 6.926 ( -17.535 0.000 2.285) 17.683 7.019 ( 17.846 0.000 22.063) 28.377 7.306 ( -9.370 0.000 -1.547) 9.497 7.524 ( 10.467 0.000 -21.975) 24.340 7.658 ( -0.093 0.000 -10.447) 10.447 7.681 ( 0.256 0.000 2.640) 2.652 7.895 ( 18.472 0.000 -38.865) 43.032 8.219 ( -23.681 0.000 20.984) 31.640 8.259 ( -22.538 0.000 23.270) 32.395 8.496 ( -17.184 0.000 -9.260) 19.520 8.588 ( -0.526 0.000 5.678) 5.702 8.655 ( -26.286 0.000 -16.996) 31.302 8.770 ( 1.509 0.000 -11.777) 11.874 8.789 ( -1.504 0.000 0.367) 1.548 8.870 ( -7.967 0.000 -9.187) 12.161 10.125 ( -7.540 0.000 -0.455) 7.553 10.143 ( 0.078 0.000 -2.524) 2.526 10.160 ( -10.684 0.000 -1.002) 10.731 10.176 ( -2.262 0.000 -3.281) 3.985 12.425 ( -3.328 0.000 1.727) 3.749 12.459 ( -3.515 0.000 -1.892) 3.992 12.508 ( -4.000 0.000 1.689) 4.342 12.543 ( -4.290 0.000 -2.011) 4.738 13.097 ( -2.150 0.000 6.023) 6.396 13.165 ( -1.295 0.000 5.930) 6.070 13.211 ( -2.362 0.000 -5.815) 6.277 13.279 ( -2.281 0.000 -6.026) 6.443 13.310 ( 6.019 0.000 9.714) 11.428 13.460 ( 7.621 0.000 8.117) 11.134 13.472 ( 3.838 0.000 -6.780) 7.791 13.588 ( 5.883 0.000 -4.507) 7.412 13.664 ( -3.492 0.000 1.531) 3.813 13.664 ( -1.404 0.000 1.301) 1.914 13.728 ( -2.901 0.000 0.910) 3.040 13.728 ( -2.310 0.000 0.401) 2.345 13.948 ( 7.496 0.000 -0.505) 7.513 13.963 ( 8.732 0.000 -1.817) 8.919 14.058 ( 3.548 0.000 0.864) 3.652 14.087 ( 2.251 0.000 -2.016) 3.022 14.255 ( 3.015 0.000 3.116) 4.336 14.308 ( 0.749 0.000 -2.058) 2.190 14.423 ( 0.588 0.000 4.963) 4.997 14.433 ( 1.059 0.000 2.178) 2.422 14.575 ( -1.152 0.000 2.628) 2.869 14.601 ( -1.122 0.000 -1.928) 2.230 14.625 ( 2.120 0.000 4.199) 4.703 14.674 ( 2.160 0.000 1.394) 2.571 14.708 ( 3.436 0.000 -0.403) 3.460 14.760 ( 0.628 0.000 -5.434) 5.470 14.872 ( 3.871 0.000 2.909) 4.842 14.920 ( 5.503 0.000 -2.549) 6.065 15.071 ( 0.796 0.000 -3.968) 4.047 15.076 ( -1.586 0.000 -4.904) 5.154 15.252 ( 5.511 0.000 4.417) 7.063 15.433 ( 10.877 0.000 -7.243) 13.067 15.444 ( 5.652 0.000 -1.903) 5.964 15.445 ( 8.495 0.000 -7.599) 11.398 16.193 ( 10.810 0.000 7.553) 13.187 16.349 ( 10.696 0.000 -8.674) 13.771 17.011 ( 3.455 0.000 5.978) 6.905 17.066 ( -8.695 0.000 24.662) 26.150 17.183 ( -1.461 0.000 -12.140) 12.228 17.541 ( -11.525 0.000 -24.484) 27.061 18.247 ( -4.222 0.000 9.557) 10.448 18.410 ( -11.092 0.000 10.251) 15.103 18.448 ( -8.260 0.000 7.037) 10.851 18.915 ( -15.745 0.000 -24.097) 28.785 ======================= Grid point 223 (76/90) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.564 ( 27.045 0.000 27.894) 38.852 3.789 ( 12.143 0.000 4.334) 12.893 3.938 ( 11.978 0.000 10.346) 15.828 4.358 ( 26.530 0.000 -30.612) 40.508 4.609 ( -8.704 0.000 9.643) 12.990 4.736 ( 1.054 0.000 -4.914) 5.026 4.904 ( 9.746 0.000 -6.985) 11.991 4.942 ( 10.025 0.000 -9.480) 13.797 5.011 ( 25.286 0.000 26.417) 36.568 5.537 ( 18.448 0.000 -27.433) 33.059 5.707 ( 2.867 0.000 8.156) 8.645 5.932 ( -1.637 0.000 -6.023) 6.242 5.965 ( -7.038 0.000 -4.071) 8.130 6.062 ( -10.274 0.000 -4.953) 11.406 6.444 ( -27.259 0.000 13.496) 30.417 6.662 ( -14.843 0.000 -4.642) 15.552 6.970 ( 13.227 0.000 4.820) 14.078 6.997 ( 10.188 0.000 2.881) 10.588 7.279 ( 16.388 0.000 30.042) 34.221 7.489 ( 11.877 0.000 17.743) 21.351 7.587 ( -3.934 0.000 1.983) 4.406 7.619 ( -14.316 0.000 14.859) 20.634 7.709 ( -22.706 0.000 19.423) 29.879 7.763 ( 0.597 0.000 -18.601) 18.611 7.867 ( -2.347 0.000 17.516) 17.673 7.969 ( -23.359 0.000 -15.713) 28.152 8.013 ( -19.183 0.000 -11.982) 22.618 8.423 ( 13.505 0.000 -33.475) 36.097 8.564 ( -3.117 0.000 8.201) 8.773 8.750 ( -2.166 0.000 -11.923) 12.118 8.805 ( 4.356 0.000 2.354) 4.951 8.970 ( 14.379 0.000 -17.003) 22.267 9.871 ( -17.686 0.000 8.443) 19.598 9.941 ( -12.039 0.000 5.939) 13.424 10.067 ( -8.822 0.000 -11.969) 14.869 10.091 ( -5.582 0.000 -9.917) 11.380 12.369 ( -2.206 0.000 1.188) 2.506 12.394 ( -2.887 0.000 -1.374) 3.197 12.444 ( -2.469 0.000 1.157) 2.727 12.468 ( -3.188 0.000 -1.331) 3.455 13.057 ( -1.839 0.000 5.765) 6.052 13.130 ( -1.838 0.000 5.255) 5.567 13.166 ( -2.108 0.000 -5.546) 5.933 13.232 ( -2.366 0.000 -5.377) 5.875 13.428 ( 5.223 0.000 7.767) 9.360 13.544 ( 2.875 0.000 -3.625) 4.626 13.565 ( 0.480 0.000 6.319) 6.337 13.619 ( 1.266 0.000 2.910) 3.174 13.628 ( -2.004 0.000 -1.718) 2.639 13.685 ( -1.061 0.000 1.152) 1.567 13.689 ( 1.863 0.000 0.222) 1.876 13.691 ( 1.305 0.000 -2.686) 2.986 14.077 ( 4.478 0.000 0.894) 4.566 14.104 ( 4.536 0.000 -1.662) 4.831 14.130 ( 4.159 0.000 -0.605) 4.203 14.139 ( 3.024 0.000 -1.240) 3.268 14.294 ( 1.149 0.000 1.964) 2.275 14.323 ( 0.935 0.000 -0.940) 1.326 14.423 ( -0.355 0.000 3.069) 3.089 14.429 ( -0.991 0.000 1.390) 1.707 14.550 ( -0.925 0.000 2.062) 2.260 14.561 ( -2.194 0.000 0.616) 2.279 14.638 ( -0.899 0.000 0.871) 1.251 14.664 ( -1.616 0.000 -0.173) 1.626 14.794 ( 4.439 0.000 0.444) 4.461 14.828 ( 3.607 0.000 -3.752) 5.204 14.925 ( 1.121 0.000 1.129) 1.591 14.953 ( -0.355 0.000 -2.326) 2.353 15.100 ( 3.481 0.000 -0.318) 3.496 15.169 ( 9.596 0.000 -6.637) 11.668 15.486 ( 13.590 0.000 10.430) 17.131 15.546 ( 4.756 0.000 -1.693) 5.048 15.566 ( 9.798 0.000 1.965) 9.993 15.814 ( 23.151 0.000 -17.472) 29.004 16.411 ( 10.642 0.000 6.860) 12.661 16.546 ( 8.264 0.000 -6.705) 10.642 16.870 ( -10.669 0.000 20.557) 23.161 17.083 ( 3.516 0.000 2.353) 4.231 17.160 ( -0.932 0.000 -5.725) 5.801 17.278 ( -14.615 0.000 -21.544) 26.033 18.119 ( -15.814 0.000 20.123) 25.594 18.149 ( -5.573 0.000 6.909) 8.876 18.313 ( -6.746 0.000 -5.915) 8.972 18.561 ( -19.320 0.000 -21.420) 28.846 ======================= Grid point 224 (77/90) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( 10.797 0.000 6.320) 12.511 4.001 ( 8.438 0.000 1.147) 8.516 4.333 ( 23.384 0.000 25.683) 34.733 4.490 ( 1.304 0.000 9.690) 9.778 4.662 ( -4.452 0.000 -12.323) 13.102 4.905 ( 28.006 0.000 -28.483) 39.945 5.073 ( 6.755 0.000 6.692) 9.508 5.242 ( 15.647 0.000 -10.924) 19.083 5.566 ( 28.545 0.000 20.751) 35.290 5.605 ( -20.231 0.000 8.867) 22.089 5.819 ( -11.552 0.000 -8.759) 14.497 5.888 ( -21.804 0.000 14.293) 26.071 5.901 ( 16.295 0.000 11.486) 19.936 6.003 ( 24.920 0.000 -20.364) 32.182 6.193 ( 17.225 0.000 -15.008) 22.846 6.239 ( -23.389 0.000 -18.141) 29.599 6.926 ( -27.876 0.000 15.812) 32.049 7.032 ( -30.283 0.000 16.172) 34.330 7.127 ( -9.469 0.000 -4.088) 10.313 7.290 ( 2.912 0.000 4.749) 5.571 7.290 ( -29.174 0.000 -9.972) 30.831 7.358 ( -11.872 0.000 -2.118) 12.059 7.591 ( -7.447 0.000 -0.540) 7.467 7.604 ( 1.789 0.000 3.193) 3.660 7.817 ( 17.798 0.000 16.288) 24.126 8.109 ( 10.877 0.000 -11.366) 15.731 8.206 ( 18.222 0.000 23.980) 30.117 8.483 ( -6.468 0.000 -7.917) 10.223 8.498 ( 2.436 0.000 14.641) 14.842 8.962 ( 10.535 0.000 12.625) 16.443 8.996 ( 22.354 0.000 -33.051) 39.901 9.291 ( 16.999 0.000 -21.638) 27.517 9.458 ( -23.607 0.000 17.784) 29.556 9.670 ( -14.702 0.000 10.391) 18.004 9.828 ( -15.061 0.000 -20.647) 25.557 9.924 ( -11.196 0.000 -15.929) 19.470 12.338 ( -0.970 0.000 0.537) 1.109 12.350 ( -1.518 0.000 -0.626) 1.641 12.409 ( -1.073 0.000 0.582) 1.221 12.420 ( -1.603 0.000 -0.497) 1.679 13.027 ( -1.111 0.000 5.606) 5.715 13.099 ( -1.188 0.000 4.982) 5.121 13.131 ( -1.316 0.000 -5.200) 5.364 13.192 ( -1.551 0.000 -4.690) 4.940 13.498 ( 1.785 0.000 5.533) 5.814 13.532 ( -1.695 0.000 3.887) 4.241 13.574 ( 0.353 0.000 -1.815) 1.849 13.594 ( -1.268 0.000 -3.313) 3.547 13.660 ( 1.421 0.000 3.178) 3.481 13.694 ( 0.995 0.000 -0.363) 1.059 13.696 ( 1.457 0.000 3.505) 3.796 13.749 ( 1.842 0.000 -1.548) 2.406 14.120 ( 0.710 0.000 1.241) 1.429 14.152 ( 1.226 0.000 -2.207) 2.525 14.197 ( 2.197 0.000 0.129) 2.201 14.207 ( 2.822 0.000 -1.023) 3.001 14.309 ( 0.435 0.000 2.333) 2.373 14.343 ( 0.943 0.000 -1.058) 1.417 14.407 ( -1.067 0.000 1.909) 2.187 14.413 ( -0.560 0.000 1.816) 1.900 14.530 ( -0.816 0.000 1.558) 1.759 14.544 ( 0.346 0.000 0.041) 0.348 14.607 ( -1.882 0.000 0.488) 1.944 14.632 ( -1.462 0.000 -1.061) 1.807 14.855 ( 0.021 0.000 -1.204) 1.205 14.859 ( 2.206 0.000 -0.731) 2.324 14.929 ( -0.390 0.000 -0.474) 0.614 14.950 ( -0.299 0.000 -2.520) 2.537 15.221 ( 7.685 0.000 8.736) 11.635 15.410 ( 12.760 0.000 -8.767) 15.481 15.588 ( 1.660 0.000 0.461) 1.723 15.617 ( 2.054 0.000 -4.285) 4.752 15.934 ( 20.484 0.000 17.307) 26.817 16.280 ( 21.911 0.000 -16.582) 27.478 16.585 ( 6.116 0.000 1.961) 6.423 16.633 ( -0.612 0.000 -0.671) 0.908 16.673 ( -8.160 0.000 15.192) 17.245 16.996 ( -12.489 0.000 -17.925) 21.847 17.138 ( 1.648 0.000 -0.656) 1.774 17.140 ( -1.196 0.000 -1.038) 1.584 17.845 ( -10.338 0.000 11.425) 15.408 18.024 ( -7.716 0.000 -1.704) 7.901 18.190 ( -5.213 0.000 -4.589) 6.945 18.210 ( -13.540 0.000 -11.498) 17.763 ======================= Grid point 225 (78/90) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.057 ( 0.000 0.000 3.655) 3.655 4.091 ( -0.000 0.000 0.454) 0.454 4.392 ( 0.000 0.000 9.072) 9.072 4.612 ( 0.000 0.000 -13.886) 13.886 4.924 ( 0.000 0.000 21.503) 21.503 5.103 ( 0.000 0.000 20.262) 20.262 5.187 ( -0.000 0.000 16.955) 16.955 5.364 ( -0.000 0.000 -23.251) 23.251 5.429 ( 0.000 0.000 -14.234) 14.234 5.527 ( 0.000 0.000 -18.230) 18.230 5.664 ( 0.000 0.000 5.165) 5.165 5.899 ( 0.000 0.000 -16.737) 16.737 6.132 ( 0.000 0.000 18.714) 18.714 6.267 ( 0.000 0.000 17.327) 17.327 6.399 ( -0.000 0.000 16.709) 16.709 6.464 ( -0.000 0.000 -14.757) 14.757 6.533 ( -0.000 0.000 12.147) 12.147 6.582 ( -0.000 0.000 -14.701) 14.701 6.705 ( -0.000 0.000 -15.386) 15.386 6.764 ( 0.000 0.000 -11.216) 11.216 7.354 ( -0.000 0.000 3.528) 3.528 7.417 ( 0.000 0.000 -3.266) 3.266 7.484 ( -0.000 0.000 9.221) 9.221 7.603 ( 0.000 0.000 -2.427) 2.427 8.107 ( 0.000 0.000 11.220) 11.220 8.187 ( -0.000 0.000 8.911) 8.911 8.288 ( -0.000 0.000 -6.804) 6.804 8.342 ( 0.000 0.000 -7.411) 7.411 8.889 ( 0.000 0.000 26.163) 26.163 8.924 ( -0.000 0.000 26.337) 26.337 9.177 ( 0.000 0.000 22.144) 22.144 9.403 ( -0.000 0.000 -27.266) 27.266 9.444 ( -0.000 0.000 -27.157) 27.157 9.456 ( -0.000 0.000 7.746) 7.746 9.647 ( -0.000 0.000 -26.437) 26.437 9.687 ( 0.000 0.000 -16.706) 16.706 12.329 ( 0.000 0.000 0.262) 0.262 12.335 ( 0.000 0.000 -0.285) 0.285 12.399 ( 0.000 0.000 0.355) 0.355 12.404 ( 0.000 0.000 -0.135) 0.135 13.016 ( 0.000 0.000 5.545) 5.545 13.087 ( 0.000 0.000 4.879) 4.879 13.117 ( 0.000 0.000 -5.046) 5.046 13.176 ( 0.000 0.000 -4.400) 4.400 13.513 ( -0.000 0.000 4.393) 4.393 13.514 ( 0.000 0.000 3.853) 3.853 13.573 ( 0.000 0.000 -2.331) 2.331 13.582 ( 0.000 0.000 -3.054) 3.054 13.677 ( 0.000 0.000 2.862) 2.862 13.707 ( 0.000 0.000 -0.172) 0.172 13.711 ( 0.000 0.000 4.153) 4.153 13.766 ( 0.000 0.000 -1.351) 1.351 14.125 ( 0.000 0.000 1.620) 1.620 14.163 ( 0.000 0.000 -2.511) 2.511 14.218 ( -0.000 0.000 0.742) 0.742 14.235 ( 0.000 0.000 -1.195) 1.195 14.313 ( 0.000 0.000 2.753) 2.753 14.354 ( 0.000 0.000 -1.232) 1.232 14.395 ( 0.000 0.000 2.086) 2.086 14.406 ( 0.000 0.000 1.331) 1.331 14.524 ( 0.000 0.000 2.009) 2.009 14.555 ( -0.000 0.000 -1.011) 1.011 14.581 ( 0.000 0.000 0.834) 0.834 14.615 ( 0.000 0.000 -1.721) 1.721 14.854 ( 0.000 0.000 0.537) 0.537 14.883 ( -0.000 0.000 -1.595) 1.595 14.921 ( 0.000 0.000 -0.766) 0.766 14.945 ( 0.000 0.000 -2.899) 2.899 15.317 ( 0.000 0.000 13.595) 13.595 15.581 ( 0.000 0.000 1.036) 1.036 15.598 ( 0.000 0.000 -0.737) 0.737 15.614 ( 0.000 0.000 -16.773) 16.773 16.203 ( 0.000 0.000 21.833) 21.833 16.561 ( -0.000 0.000 3.541) 3.541 16.572 ( -0.000 0.000 2.656) 2.656 16.584 ( -0.000 0.000 12.511) 12.511 16.620 ( 0.000 0.000 -21.170) 21.170 16.855 ( 0.000 0.000 -15.608) 15.608 17.124 ( -0.000 0.000 0.035) 0.035 17.149 ( 0.000 0.000 -2.120) 2.120 17.744 ( -0.000 0.000 4.738) 4.738 17.903 ( 0.000 0.000 -11.677) 11.677 18.090 ( 0.000 0.000 0.709) 0.709 18.133 ( 0.000 0.000 -3.633) 3.633 ======================= Grid point 231 (79/90) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 0.000 19.939 38.001) 42.914 3.503 ( 0.000 6.718 24.563) 25.465 3.504 ( 0.000 10.636 -40.642) 42.011 3.563 ( 0.000 -9.834 7.863) 12.591 4.127 ( 0.000 -11.547 39.552) 41.203 4.212 ( 0.000 -9.045 -3.374) 9.654 4.564 ( 0.000 -1.185 -29.516) 29.539 4.767 ( 0.000 -10.121 -19.834) 22.267 5.274 ( 0.000 14.660 8.274) 16.834 5.458 ( 0.000 13.590 -11.094) 17.544 5.807 ( 0.000 -8.288 24.099) 25.485 6.004 ( 0.000 2.632 39.962) 40.049 6.070 ( 0.000 2.159 16.676) 16.815 6.163 ( 0.000 -13.626 -3.097) 13.973 6.208 ( 0.000 1.878 -4.986) 5.328 6.397 ( 0.000 0.075 33.294) 33.294 6.405 ( 0.000 -5.534 -6.597) 8.611 6.490 ( 0.000 -3.092 -0.686) 3.167 7.070 ( 0.000 6.187 -39.180) 39.665 7.317 ( 0.000 -4.188 -47.749) 47.933 7.586 ( 0.000 1.284 0.962) 1.604 7.621 ( 0.000 1.751 -3.403) 3.827 7.677 ( 0.000 -1.689 -0.328) 1.721 7.704 ( 0.000 -2.236 -5.597) 6.027 8.557 ( 0.000 5.150 1.589) 5.390 8.627 ( 0.000 6.907 -3.467) 7.729 8.763 ( 0.000 -2.010 19.929) 20.030 8.781 ( 0.000 0.668 25.178) 25.187 8.812 ( 0.000 -1.953 14.746) 14.875 8.904 ( 0.000 -3.232 -6.662) 7.404 9.308 ( 0.000 0.579 -26.965) 26.971 9.334 ( 0.000 -0.386 -26.875) 26.878 10.058 ( 0.000 1.144 12.458) 12.511 10.119 ( 0.000 -1.126 13.390) 13.437 10.269 ( 0.000 1.465 -9.997) 10.104 10.345 ( 0.000 -1.391 -10.564) 10.655 12.544 ( 0.000 1.627 0.991) 1.905 12.567 ( 0.000 1.576 -1.378) 2.094 12.628 ( 0.000 -1.441 0.900) 1.699 12.650 ( 0.000 -1.464 -1.468) 2.073 13.108 ( 0.000 1.384 12.673) 12.748 13.185 ( 0.000 0.994 6.459) 6.535 13.185 ( 0.000 -1.445 12.122) 12.208 13.253 ( 0.000 -1.426 6.029) 6.195 13.287 ( 0.000 1.491 -6.472) 6.641 13.359 ( 0.000 -1.261 -6.321) 6.446 13.360 ( 0.000 0.643 -10.504) 10.524 13.412 ( 0.000 -1.206 -9.589) 9.664 13.654 ( 0.000 3.359 4.278) 5.439 13.739 ( 0.000 3.239 -3.951) 5.109 13.772 ( 0.000 -0.507 0.613) 0.795 13.774 ( 0.000 -0.306 0.680) 0.746 13.808 ( 0.000 1.203 0.458) 1.288 13.815 ( 0.000 1.807 0.027) 1.807 14.021 ( 0.000 -7.413 3.156) 8.057 14.050 ( 0.000 -5.001 0.809) 5.066 14.068 ( 0.000 1.300 6.799) 6.922 14.210 ( 0.000 1.258 -7.597) 7.700 14.211 ( 0.000 -5.277 4.047) 6.651 14.319 ( 0.000 -3.560 -5.015) 6.150 14.543 ( 0.000 1.320 3.766) 3.991 14.561 ( 0.000 1.598 3.548) 3.892 14.613 ( 0.000 -1.205 4.577) 4.733 14.647 ( 0.000 -1.783 1.346) 2.235 14.677 ( 0.000 3.753 1.658) 4.103 14.782 ( 0.000 2.441 -7.119) 7.525 14.795 ( 0.000 -1.457 2.808) 3.163 14.884 ( 0.000 -1.528 -6.418) 6.597 15.181 ( 0.000 0.711 -2.227) 2.337 15.187 ( 0.000 0.602 0.064) 0.605 15.193 ( 0.000 0.476 -3.976) 4.005 15.218 ( 0.000 -0.444 -3.597) 3.624 15.359 ( 0.000 10.185 1.933) 10.366 15.463 ( 0.000 12.249 -9.914) 15.758 15.845 ( 0.000 -8.092 6.412) 10.324 15.984 ( 0.000 -8.086 -8.200) 11.516 16.975 ( 0.000 3.617 11.679) 12.226 17.193 ( 0.000 -4.736 23.719) 24.188 17.278 ( 0.000 4.698 -20.867) 21.389 17.642 ( 0.000 -10.457 -23.385) 25.616 18.402 ( 0.000 5.813 16.111) 17.128 18.669 ( 0.000 -4.329 28.475) 28.803 18.712 ( 0.000 12.136 -16.382) 20.387 19.176 ( 0.000 -6.711 -25.113) 25.994 ======================= Grid point 232 (80/90) ======================= q-point: ( 0.10 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 11.672 18.045 37.100) 42.875 3.511 ( 3.880 8.461 5.371) 10.747 3.602 ( 3.987 -8.339 8.172) 12.337 3.647 ( 11.233 7.391 -22.698) 26.382 4.175 ( 5.064 -12.010 35.889) 38.183 4.280 ( 6.981 -8.424 -2.162) 11.152 4.589 ( 2.765 -1.571 -27.239) 27.424 4.780 ( 1.301 -10.065 -19.522) 22.003 5.226 ( -6.560 14.818 9.492) 18.780 5.388 ( -2.395 11.828 -9.575) 15.405 5.849 ( -2.842 -6.431 0.516) 7.050 5.878 ( -6.729 -3.160 0.589) 7.458 6.144 ( 8.177 -0.645 32.133) 33.163 6.201 ( 5.561 -3.732 26.607) 27.437 6.328 ( 9.234 3.755 13.646) 16.899 6.430 ( 3.203 -4.153 -7.627) 9.256 6.520 ( 6.022 -1.848 -2.269) 6.696 6.603 ( 14.761 -4.350 28.047) 31.992 7.140 ( 4.811 6.965 -30.164) 31.329 7.431 ( 8.004 -4.984 -34.657) 35.917 7.494 ( -6.888 1.885 -3.674) 8.031 7.575 ( -2.916 2.189 -14.073) 14.537 7.647 ( -2.154 -3.016 -0.904) 3.815 7.695 ( -0.430 -2.636 -7.108) 7.593 8.563 ( -3.938 3.438 8.261) 9.776 8.595 ( -4.669 3.674 6.383) 8.720 8.629 ( -10.242 1.648 21.533) 23.901 8.694 ( -6.475 2.081 12.885) 14.570 8.793 ( -1.028 -2.654 3.800) 4.748 8.869 ( -3.644 -2.460 -5.863) 7.328 9.115 ( -17.586 0.592 -21.644) 27.895 9.141 ( -17.139 -0.363 -21.102) 27.188 10.108 ( 3.501 0.890 5.914) 6.930 10.158 ( 2.495 -0.958 6.470) 7.000 10.238 ( -3.289 1.154 -7.181) 7.982 10.301 ( -4.683 -1.173 -7.733) 9.116 12.507 ( -3.263 1.410 1.527) 3.868 12.538 ( -2.717 1.399 -1.707) 3.501 12.580 ( -4.081 -1.261 1.521) 4.534 12.611 ( -3.503 -1.306 -1.848) 4.171 13.146 ( -1.373 0.768 6.480) 6.669 13.152 ( 2.295 0.733 10.243) 10.522 13.239 ( 0.895 -0.486 7.874) 7.940 13.261 ( -0.758 0.103 -2.640) 2.749 13.293 ( 5.354 -0.670 5.884) 7.983 13.317 ( -1.863 -0.364 -6.630) 6.896 13.414 ( 2.800 0.314 -8.757) 9.199 13.459 ( 4.857 -1.177 -7.887) 9.337 13.687 ( 1.393 2.220 3.938) 4.730 13.737 ( -2.313 1.072 -0.002) 2.550 13.752 ( -1.021 -0.464 0.706) 1.325 13.772 ( -0.910 -0.375 -0.427) 1.072 13.843 ( 4.152 2.339 0.019) 4.766 13.856 ( 5.057 2.873 -1.508) 6.009 14.000 ( 0.956 -1.480 2.468) 3.032 14.031 ( 0.932 -3.898 -0.300) 4.019 14.165 ( 5.141 -0.702 5.065) 7.251 14.254 ( 4.459 -2.605 -0.734) 5.216 14.279 ( 3.549 -3.005 -0.499) 4.677 14.353 ( 3.934 -4.674 -3.113) 6.856 14.559 ( 1.739 0.955 3.117) 3.695 14.561 ( 0.603 0.566 3.740) 3.830 14.630 ( 0.881 -0.636 1.171) 1.597 14.642 ( 0.428 -1.221 2.387) 2.715 14.682 ( 0.553 3.089 0.790) 3.236 14.763 ( -1.331 0.687 -2.713) 3.099 14.805 ( 0.889 -0.822 -0.551) 1.330 14.855 ( -2.016 -1.137 -4.038) 4.654 15.142 ( -2.521 2.477 -3.019) 4.648 15.152 ( -2.415 1.337 -4.168) 4.999 15.198 ( -0.044 -0.751 -1.308) 1.509 15.224 ( 1.129 -2.051 -4.724) 5.273 15.437 ( 6.566 10.113 2.069) 12.233 15.529 ( 6.258 12.959 -8.257) 16.591 15.919 ( 7.046 -8.139 6.793) 12.730 16.065 ( 7.640 -8.389 -8.531) 14.196 16.989 ( 1.407 3.050 10.613) 11.132 17.162 ( -3.186 -3.449 23.009) 23.484 17.261 ( -1.559 4.525 -18.502) 19.111 17.597 ( -4.462 -9.312 -22.617) 24.863 18.367 ( -3.445 4.829 15.230) 16.344 18.598 ( -7.077 -3.819 27.571) 28.719 18.662 ( -4.933 10.968 -15.595) 19.693 19.093 ( -8.317 -6.311 -24.512) 26.643 ======================= Grid point 233 (81/90) ======================= q-point: ( 0.20 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( 20.561 13.106 34.054) 41.883 3.650 ( 9.745 8.024 7.297) 14.581 3.718 ( 7.860 -5.574 9.546) 13.563 3.940 ( 17.800 3.373 -28.480) 33.754 4.330 ( 10.235 -11.500 27.311) 31.351 4.486 ( 13.587 -6.911 -1.684) 15.336 4.685 ( 6.972 -2.686 -20.601) 21.914 4.809 ( 1.039 -8.568 -16.091) 18.259 5.083 ( -4.663 15.820 14.282) 21.817 5.406 ( 4.222 9.004 -16.658) 19.400 5.671 ( -7.276 -5.729 0.422) 9.271 5.851 ( -1.322 -5.370 -13.487) 14.577 6.215 ( -2.612 2.632 8.195) 8.995 6.255 ( -1.626 4.423 5.827) 7.494 6.555 ( 10.748 -5.433 14.288) 18.687 6.612 ( 11.802 -4.128 7.189) 14.422 6.731 ( 16.867 0.954 23.475) 28.922 6.960 ( 20.773 -5.023 32.097) 38.561 7.050 ( -13.449 10.782 2.526) 17.422 7.316 ( -9.712 2.433 -2.367) 10.288 7.528 ( 2.902 -2.763 -10.654) 11.383 7.576 ( -2.308 -9.274 2.641) 9.915 7.668 ( 7.087 2.600 -25.083) 26.194 7.845 ( 16.151 -3.939 -38.434) 41.875 8.234 ( -23.197 0.937 21.498) 31.641 8.258 ( -22.799 -0.210 23.002) 32.387 8.525 ( -18.340 2.507 -8.280) 20.278 8.631 ( -22.404 -1.611 -13.440) 26.176 8.654 ( -1.851 4.849 2.521) 5.770 8.771 ( 1.207 0.450 -7.712) 7.819 8.819 ( -1.374 1.580 -4.893) 5.322 8.862 ( -6.822 -0.837 -9.385) 11.633 10.128 ( -8.009 0.276 -0.481) 8.028 10.145 ( -1.689 0.129 -2.227) 2.798 10.154 ( -8.915 -0.371 -1.384) 9.029 10.170 ( -2.044 -0.493 -3.267) 3.885 12.437 ( -3.464 1.110 1.736) 4.030 12.472 ( -3.647 1.119 -1.892) 4.258 12.496 ( -3.945 -1.076 1.713) 4.433 12.531 ( -4.206 -1.082 -1.978) 4.772 13.106 ( -2.105 0.800 5.984) 6.394 13.154 ( -1.622 -0.942 5.851) 6.144 13.219 ( -2.365 0.783 -5.803) 6.315 13.265 ( -1.810 -1.026 -4.874) 5.299 13.333 ( 5.874 1.919 8.302) 10.349 13.437 ( 7.409 -2.038 8.176) 11.220 13.486 ( 4.226 1.320 -6.400) 7.782 13.568 ( 5.534 -1.731 -4.725) 7.480 13.674 ( -2.220 0.858 1.279) 2.702 13.677 ( -2.918 0.980 1.406) 3.384 13.718 ( -2.302 -0.697 0.571) 2.472 13.724 ( -2.857 -0.570 0.369) 2.937 13.970 ( 7.549 2.184 0.742) 7.893 13.998 ( 7.717 2.716 -1.994) 8.420 14.058 ( 3.898 -0.138 0.679) 3.959 14.079 ( 3.245 -0.894 -1.277) 3.600 14.253 ( 3.541 0.195 2.998) 4.644 14.305 ( 1.239 0.017 -2.049) 2.395 14.351 ( 3.050 -4.218 4.997) 7.216 14.412 ( 0.737 -3.361 -0.492) 3.475 14.584 ( 0.747 0.683 2.578) 2.770 14.606 ( 1.313 -0.719 3.650) 3.945 14.626 ( 0.119 1.117 -2.144) 2.421 14.688 ( -0.374 -0.783 -2.585) 2.727 14.696 ( 3.623 0.825 3.441) 5.064 14.758 ( 2.202 -0.193 -1.072) 2.457 14.832 ( 2.078 -2.298 -0.511) 3.140 14.867 ( 3.545 -3.000 -2.824) 5.435 15.100 ( -1.479 2.295 -2.762) 3.884 15.135 ( 1.663 3.614 -5.130) 6.492 15.206 ( 2.321 -2.772 1.074) 3.772 15.292 ( 6.141 -4.969 -6.656) 10.330 15.589 ( 8.710 11.677 3.165) 14.907 15.698 ( 10.861 14.078 -8.517) 19.716 16.097 ( 10.337 -8.591 7.462) 15.373 16.253 ( 10.553 -8.797 -8.760) 16.294 17.025 ( 1.850 1.246 8.416) 8.706 17.069 ( -5.990 -0.057 20.696) 21.545 17.225 ( -1.968 3.813 -13.115) 13.799 17.469 ( -8.491 -5.901 -20.698) 23.137 18.273 ( -5.902 2.335 12.801) 14.288 18.400 ( -12.510 -2.187 24.663) 27.740 18.527 ( -8.422 7.664 -13.315) 17.520 18.859 ( -14.925 -5.141 -22.928) 27.836 ======================= Grid point 234 (82/90) ======================= q-point: ( 0.30 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.639 ( 23.051 6.615 25.688) 35.142 3.866 ( 11.073 6.379 3.335) 13.207 3.918 ( 12.969 -1.985 13.581) 18.883 4.283 ( 13.248 -8.890 -15.690) 22.377 4.551 ( 13.055 1.064 3.339) 13.518 4.735 ( 3.944 -0.554 -8.811) 9.669 4.843 ( 10.133 -5.742 -10.150) 15.449 4.858 ( 9.086 -5.837 -9.301) 14.252 5.162 ( 14.514 10.530 21.300) 27.843 5.550 ( 6.582 -4.472 2.579) 8.365 5.643 ( 8.943 1.402 -15.073) 17.583 5.867 ( 3.895 -5.390 -16.711) 17.985 6.075 ( -9.361 10.138 4.545) 14.528 6.173 ( -6.253 8.769 -4.753) 11.772 6.499 ( -19.118 0.775 10.529) 21.840 6.677 ( -8.948 -6.664 -6.288) 12.806 6.928 ( 5.618 6.003 7.432) 11.083 6.994 ( 5.986 1.637 -0.350) 6.216 7.303 ( 12.924 0.566 27.121) 30.049 7.401 ( 10.478 -6.107 20.658) 23.955 7.491 ( -4.845 -7.060 4.964) 9.897 7.537 ( -2.619 -9.021 12.243) 15.431 7.725 ( -21.032 0.773 17.052) 27.087 7.769 ( -14.432 -1.977 11.758) 18.720 7.855 ( -5.367 2.943 -8.038) 10.103 7.955 ( -23.418 -1.417 -14.508) 27.584 8.084 ( -9.565 5.141 -14.092) 17.790 8.324 ( 7.374 -5.944 -25.239) 26.957 8.681 ( 1.854 6.896 0.415) 7.153 8.789 ( 1.294 2.327 -5.285) 5.918 8.830 ( 3.557 2.380 -4.538) 6.238 8.957 ( 12.666 -1.428 -15.560) 20.114 9.878 ( -16.783 0.732 8.089) 18.645 9.928 ( -12.763 -1.104 6.302) 14.277 10.069 ( -8.325 0.210 -11.754) 14.405 10.086 ( -6.015 -0.422 -10.301) 11.936 12.380 ( -2.274 0.944 1.205) 2.742 12.404 ( -2.950 0.953 -1.370) 3.389 12.432 ( -2.461 -1.013 1.177) 2.910 12.457 ( -3.165 -0.982 -1.345) 3.576 13.067 ( -1.799 0.863 5.688) 6.028 13.118 ( -1.806 -1.052 5.316) 5.713 13.174 ( -2.117 0.791 -5.550) 5.993 13.221 ( -2.274 -0.960 -5.387) 5.926 13.450 ( 5.030 1.939 7.608) 9.325 13.549 ( 2.349 -1.240 6.000) 6.561 13.563 ( 3.128 1.236 -2.178) 4.007 13.624 ( -0.404 0.740 1.981) 2.153 13.634 ( -1.583 0.085 -1.653) 2.290 13.662 ( 1.617 -1.184 -0.547) 2.078 13.679 ( -0.764 -0.950 0.708) 1.410 13.688 ( 0.511 -0.678 -1.848) 2.033 14.095 ( 4.289 1.461 1.030) 4.646 14.121 ( 3.418 1.230 -1.540) 3.946 14.133 ( 4.373 0.178 -0.499) 4.405 14.144 ( 3.361 0.360 -1.365) 3.646 14.300 ( 1.351 0.659 2.238) 2.696 14.327 ( 1.084 0.493 -0.458) 1.276 14.386 ( 0.773 -2.619 3.240) 4.237 14.406 ( -0.619 -2.134 1.016) 2.443 14.578 ( -0.909 2.082 1.495) 2.720 14.583 ( -1.954 1.602 0.767) 2.640 14.635 ( -0.566 -0.330 0.713) 0.969 14.655 ( -1.834 -0.824 -0.288) 2.031 14.787 ( 4.250 -0.343 1.121) 4.408 14.831 ( 3.506 -0.008 -2.747) 4.454 14.871 ( 1.078 -3.115 -0.266) 3.307 14.922 ( 1.096 -2.895 -4.266) 5.271 15.127 ( 4.612 2.723 2.605) 5.956 15.218 ( 7.786 2.999 -4.402) 9.434 15.344 ( 10.467 -5.785 2.595) 12.237 15.452 ( 8.588 -5.850 -6.356) 12.181 15.788 ( 11.837 13.040 6.329) 18.714 15.968 ( 16.719 11.417 -12.145) 23.609 16.304 ( 10.050 -9.057 7.481) 15.460 16.453 ( 8.991 -8.240 -7.673) 14.409 16.922 ( -8.057 3.952 17.607) 19.762 17.061 ( 0.992 -1.900 5.629) 6.023 17.187 ( -1.877 2.188 -7.927) 8.435 17.269 ( -11.380 -0.921 -18.082) 21.385 18.129 ( -13.773 0.650 18.753) 23.276 18.146 ( -6.834 -0.256 9.347) 11.582 18.346 ( -9.399 3.134 -10.033) 14.100 18.525 ( -18.191 -3.269 -20.140) 27.335 ======================= Grid point 235 (83/90) ======================= q-point: ( 0.40 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.988 ( 11.028 3.605 7.847) 14.007 4.056 ( 7.502 4.938 0.877) 9.024 4.249 ( 16.686 -6.459 18.445) 25.698 4.394 ( 2.201 -8.012 3.967) 9.207 4.741 ( 3.118 5.586 -6.120) 8.853 4.854 ( 11.754 -1.982 -9.850) 15.463 5.048 ( 13.638 -3.475 -7.433) 15.916 5.098 ( 7.487 -9.419 -7.134) 13.988 5.585 ( 20.399 2.006 18.838) 27.839 5.665 ( 8.925 1.223 16.342) 18.660 5.863 ( -5.672 5.437 -9.085) 12.012 5.941 ( 3.549 6.018 2.613) 7.460 6.021 ( 13.443 2.823 -14.199) 19.756 6.102 ( -7.286 10.721 3.764) 13.498 6.179 ( 6.728 3.228 -12.419) 14.488 6.373 ( -12.364 5.979 -15.662) 20.831 6.921 ( -24.666 -0.278 14.615) 28.672 7.007 ( -22.344 -3.065 13.484) 26.277 7.109 ( -9.294 0.703 1.884) 9.509 7.181 ( -2.010 -7.523 2.693) 8.240 7.245 ( -15.284 -6.522 -0.963) 16.645 7.314 ( -27.861 0.307 -9.521) 29.445 7.468 ( -11.975 -9.060 -2.219) 15.179 7.509 ( -4.019 -9.455 -3.422) 10.828 7.873 ( 19.888 5.027 22.882) 30.731 8.105 ( 20.127 -5.293 22.992) 31.012 8.222 ( 9.750 6.297 -8.544) 14.412 8.414 ( -1.203 -1.935 -3.865) 4.487 8.686 ( 2.650 9.717 6.166) 11.809 8.942 ( 8.496 -2.098 10.854) 13.942 9.036 ( 18.923 3.555 -28.009) 33.988 9.235 ( 11.971 -4.330 -17.684) 21.789 9.507 ( -17.751 3.634 12.946) 22.269 9.646 ( -14.858 -2.150 10.512) 18.327 9.844 ( -14.105 1.375 -19.808) 24.355 9.911 ( -11.492 -1.163 -16.553) 20.185 12.348 ( -1.009 0.862 0.572) 1.445 12.360 ( -1.533 0.891 -0.634) 1.883 12.398 ( -1.082 -1.007 0.600) 1.595 12.409 ( -1.595 -0.956 -0.544) 1.937 13.037 ( -1.087 0.906 5.511) 5.690 13.088 ( -1.143 -0.981 5.065) 5.285 13.139 ( -1.323 0.769 -5.145) 5.368 13.182 ( -1.485 -0.831 -4.781) 5.075 13.513 ( 1.353 1.249 5.503) 5.803 13.538 ( -1.373 0.447 4.095) 4.342 13.589 ( -0.150 1.184 -1.684) 2.064 13.602 ( -1.011 0.618 -3.110) 3.328 13.654 ( 1.358 -0.431 3.001) 3.322 13.677 ( 1.676 -1.381 3.156) 3.830 13.690 ( 1.175 -0.323 -0.204) 1.235 13.732 ( 1.837 -1.468 -1.717) 2.912 14.138 ( 0.776 1.531 0.954) 1.964 14.163 ( 1.358 0.974 -1.777) 2.440 14.196 ( 1.782 -0.266 -0.104) 1.804 14.206 ( 2.401 -0.250 -1.262) 2.723 14.316 ( 0.501 0.850 2.651) 2.828 14.349 ( 1.085 0.676 -0.641) 1.430 14.386 ( -0.480 -1.628 2.509) 3.030 14.403 ( 0.173 -1.058 0.978) 1.451 14.549 ( -1.128 1.665 1.652) 2.603 14.566 ( -0.166 1.773 -0.144) 1.786 14.610 ( -1.581 0.123 0.306) 1.615 14.623 ( -1.355 -0.936 -0.154) 1.654 14.846 ( 1.906 -0.878 -0.532) 2.165 14.854 ( -0.265 0.130 -2.119) 2.139 14.889 ( 0.573 -2.818 -0.104) 2.877 14.923 ( -0.427 -2.310 -3.535) 4.244 15.261 ( 7.528 3.350 9.291) 12.419 15.418 ( 9.907 -0.548 -0.800) 9.955 15.534 ( 7.577 -3.174 -4.831) 9.530 15.583 ( 4.220 -1.720 -4.731) 6.569 16.064 ( 15.264 9.591 12.434) 21.900 16.326 ( 17.331 3.974 -12.163) 21.543 16.468 ( 5.796 -7.533 5.511) 10.987 16.574 ( 2.396 -5.078 -3.435) 6.582 16.776 ( -5.601 6.447 10.890) 13.839 17.023 ( -9.319 0.214 -9.051) 12.993 17.071 ( -3.040 -2.619 -2.610) 4.787 17.147 ( -2.527 -0.927 -5.345) 5.984 17.895 ( -8.597 4.096 9.755) 13.633 18.022 ( -5.737 -0.433 1.838) 6.040 18.178 ( -7.272 -0.987 -6.726) 9.954 18.188 ( -13.637 -1.668 -12.021) 18.255 ======================= Grid point 236 (84/90) ======================= q-point: (-0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.099 ( 0.000 3.962 3.899) 5.558 4.135 ( 0.000 4.190 0.332) 4.203 4.345 ( 0.000 -4.473 7.744) 8.943 4.473 ( 0.000 -10.278 -3.521) 10.864 4.940 ( 0.000 -3.078 5.944) 6.694 4.987 ( 0.001 -7.534 16.822) 18.431 4.990 ( -0.001 -2.393 1.851) 3.026 5.269 ( -0.000 -10.018 -12.931) 16.358 5.662 ( -0.000 15.706 -6.395) 16.958 5.719 ( 0.000 14.982 -11.778) 19.057 5.848 ( 0.000 10.288 2.576) 10.606 6.006 ( 0.000 5.907 -11.051) 12.531 6.145 ( 0.000 1.425 17.310) 17.369 6.256 ( 0.000 -1.140 16.577) 16.616 6.428 ( -0.000 2.727 15.761) 15.995 6.457 ( -0.000 -0.172 -7.534) 7.536 6.559 ( -0.000 2.013 5.429) 5.790 6.575 ( -0.000 -0.653 -14.369) 14.384 6.733 ( -0.000 2.779 -15.036) 15.291 6.791 ( 0.000 2.551 -12.391) 12.651 7.237 ( 0.000 -8.837 2.601) 9.212 7.284 ( 0.000 -9.459 -2.440) 9.768 7.325 ( -0.000 -11.733 9.332) 14.992 7.468 ( 0.000 -11.821 -5.425) 13.006 8.153 ( 0.000 4.039 14.494) 15.046 8.246 ( 0.000 2.964 8.811) 9.296 8.350 ( -0.000 1.147 -1.224) 1.678 8.356 ( 0.000 3.934 -6.272) 7.403 8.937 ( 0.000 1.291 24.385) 24.419 8.951 ( 0.000 4.464 19.221) 19.733 9.142 ( 0.000 -1.713 15.705) 15.798 9.335 ( 0.000 -6.268 -4.894) 7.953 9.453 ( -0.000 3.686 -20.387) 20.717 9.520 ( -0.000 1.894 -12.603) 12.744 9.649 ( -0.000 0.175 -25.271) 25.272 9.675 ( 0.000 -1.009 -17.934) 17.963 12.338 ( 0.000 0.827 0.321) 0.887 12.345 ( 0.000 0.884 -0.316) 0.939 12.387 ( 0.000 -1.017 0.385) 1.088 12.394 ( 0.000 -0.944 -0.209) 0.966 13.026 ( 0.000 0.922 5.444) 5.521 13.076 ( 0.000 -0.944 4.971) 5.060 13.126 ( 0.000 0.760 -4.963) 5.021 13.167 ( 0.000 -0.775 -4.507) 4.573 13.522 ( 0.000 0.694 3.918) 3.979 13.523 ( 0.000 0.774 4.419) 4.486 13.583 ( 0.000 0.807 -2.363) 2.497 13.593 ( 0.000 0.761 -3.034) 3.128 13.670 ( 0.000 -0.433 3.079) 3.109 13.696 ( -0.000 -1.273 4.111) 4.303 13.705 ( 0.000 -0.035 -0.367) 0.368 13.750 ( 0.000 -1.410 -1.367) 1.964 14.144 ( 0.000 1.623 1.305) 2.082 14.176 ( 0.000 1.160 -2.223) 2.507 14.212 ( 0.000 -0.724 0.603) 0.942 14.230 ( 0.000 -0.635 -1.387) 1.525 14.322 ( 0.000 0.873 3.007) 3.132 14.362 ( 0.000 0.800 -0.990) 1.273 14.380 ( 0.000 -1.192 2.730) 2.979 14.405 ( 0.000 -0.442 0.424) 0.612 14.539 ( 0.000 1.409 2.114) 2.541 14.569 ( -0.000 1.197 -0.984) 1.549 14.588 ( 0.000 0.548 0.484) 0.731 14.608 ( 0.000 -0.819 -0.572) 0.998 14.850 ( 0.000 -0.085 -0.571) 0.577 14.866 ( -0.000 -1.165 -1.534) 1.926 14.892 ( 0.000 -2.257 -0.633) 2.344 14.918 ( 0.000 -2.279 -3.162) 3.898 15.351 ( 0.000 2.916 13.033) 13.355 15.522 ( 0.000 -4.251 5.911) 7.281 15.617 ( -0.000 1.030 -4.187) 4.311 15.624 ( 0.000 0.675 -14.900) 14.916 16.274 ( 0.000 5.750 17.019) 17.964 16.509 ( -0.000 -3.961 6.037) 7.221 16.532 ( -0.000 -1.424 -1.029) 1.757 16.566 ( -0.000 -1.229 0.737) 1.433 16.734 ( -0.000 7.129 -5.634) 9.086 16.894 ( 0.000 3.566 -13.778) 14.232 17.047 ( 0.000 -6.175 0.342) 6.185 17.106 ( 0.000 -4.168 -4.879) 6.417 17.811 ( -0.000 5.553 3.852) 6.758 17.943 ( 0.000 3.459 -9.899) 10.486 18.049 ( 0.000 -3.714 1.134) 3.884 18.104 ( 0.000 -2.643 -4.439) 5.166 ======================= Grid point 242 (85/90) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 0.000 -21.604 23.637) 32.023 3.222 ( 0.000 21.604 23.637) 32.023 3.650 ( 0.000 -2.926 -6.423) 7.058 3.650 ( 0.000 2.926 -6.423) 7.058 4.005 ( 0.000 -5.598 16.594) 17.513 4.005 ( 0.000 5.598 16.594) 17.513 4.599 ( 0.000 -5.068 -28.833) 29.275 4.599 ( 0.000 5.068 -28.833) 29.275 5.575 ( 0.000 -13.091 17.103) 21.538 5.575 ( 0.000 13.091 17.103) 21.538 5.795 ( 0.000 -17.236 -6.478) 18.414 5.795 ( 0.000 17.236 -6.478) 18.414 6.085 ( 0.000 -1.509 31.860) 31.896 6.085 ( 0.000 1.510 31.860) 31.896 6.280 ( 0.000 -5.208 -5.825) 7.813 6.280 ( 0.000 5.208 -5.824) 7.813 6.425 ( 0.000 -2.618 13.945) 14.189 6.425 ( 0.000 2.618 13.945) 14.189 7.205 ( 0.000 -6.142 -42.276) 42.720 7.205 ( 0.000 6.142 -42.276) 42.720 7.629 ( 0.000 -2.521 -0.697) 2.616 7.629 ( 0.000 2.522 -0.697) 2.616 7.659 ( 0.000 -1.876 -5.589) 5.895 7.659 ( 0.000 1.876 -5.589) 5.896 8.679 ( 0.000 -5.561 6.581) 8.616 8.679 ( 0.000 5.562 6.583) 8.618 8.765 ( 0.000 -3.998 14.218) 14.770 8.765 ( 0.000 3.997 14.230) 14.781 8.814 ( 0.000 -3.655 5.303) 6.440 8.814 ( 0.000 3.658 5.289) 6.431 9.322 ( 0.000 -0.672 -26.969) 26.978 9.322 ( 0.000 0.672 -26.969) 26.978 10.089 ( 0.000 -1.602 12.948) 13.047 10.089 ( 0.000 1.602 12.948) 13.047 10.308 ( 0.000 -2.010 -10.298) 10.492 10.308 ( 0.000 2.010 -10.298) 10.492 12.587 ( 0.000 -2.197 0.940) 2.389 12.587 ( 0.000 2.197 0.940) 2.389 12.609 ( 0.000 -2.213 -1.360) 2.597 12.609 ( 0.000 2.213 -1.360) 2.597 13.146 ( 0.000 -2.038 12.326) 12.493 13.146 ( 0.000 2.038 12.326) 12.493 13.216 ( 0.000 -1.827 6.281) 6.541 13.216 ( 0.000 1.827 6.281) 6.541 13.325 ( 0.000 -1.874 -6.478) 6.744 13.325 ( 0.000 1.874 -6.479) 6.744 13.383 ( 0.000 -1.408 -9.941) 10.041 13.383 ( 0.000 1.408 -9.941) 10.041 13.734 ( 0.000 -3.132 2.823) 4.216 13.734 ( 0.000 3.132 2.823) 4.217 13.772 ( 0.000 -0.308 -0.434) 0.532 13.772 ( 0.000 0.308 -0.434) 0.532 13.869 ( 0.000 -5.303 2.116) 5.710 13.869 ( 0.000 5.303 2.116) 5.710 13.918 ( 0.000 -6.934 -2.682) 7.434 13.918 ( 0.000 6.934 -2.682) 7.434 14.114 ( 0.000 -3.309 6.384) 7.191 14.114 ( 0.000 3.309 6.384) 7.191 14.251 ( 0.000 -2.612 -7.172) 7.633 14.251 ( 0.000 2.612 -7.172) 7.633 14.579 ( 0.000 -1.863 4.234) 4.626 14.579 ( 0.000 1.863 4.234) 4.626 14.602 ( 0.000 -2.197 2.691) 3.474 14.602 ( 0.000 2.197 2.690) 3.473 14.750 ( 0.000 -2.868 2.100) 3.554 14.750 ( 0.000 2.868 2.100) 3.555 14.839 ( 0.000 -2.624 -6.827) 7.314 14.839 ( 0.000 2.624 -6.827) 7.314 15.193 ( 0.000 -0.153 -1.644) 1.651 15.193 ( 0.000 0.154 -1.644) 1.651 15.204 ( 0.000 -0.656 -3.757) 3.814 15.204 ( 0.000 0.656 -3.758) 3.814 15.617 ( 0.000 -12.642 5.509) 13.790 15.617 ( 0.000 12.642 5.509) 13.790 15.749 ( 0.000 -13.392 -8.734) 15.988 15.749 ( 0.000 13.392 -8.734) 15.988 17.077 ( 0.000 -5.666 16.157) 17.121 17.077 ( 0.000 5.666 16.157) 17.122 17.425 ( 0.000 -9.063 -20.929) 22.808 17.425 ( 0.000 9.064 -20.930) 22.808 18.545 ( 0.000 -6.923 23.486) 24.485 18.545 ( 0.000 6.923 23.486) 24.485 18.977 ( 0.000 -11.732 -21.853) 24.803 18.977 ( 0.000 11.732 -21.853) 24.803 ======================= Grid point 244 (86/90) ======================= q-point: ( 0.10 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( 7.404 -19.593 23.770) 31.681 3.296 ( 7.404 19.593 23.770) 31.682 3.705 ( 5.480 -6.681 -3.782) 9.433 3.705 ( 5.480 6.682 -3.782) 9.433 4.078 ( 7.594 -6.972 11.943) 15.777 4.078 ( 7.594 6.972 11.943) 15.777 4.615 ( 1.796 -4.767 -27.502) 27.970 4.615 ( 1.796 4.767 -27.502) 27.970 5.509 ( -6.397 -7.444 12.438) 15.844 5.509 ( -6.397 7.444 12.438) 15.844 5.759 ( -2.962 -4.579 -10.648) 11.963 5.759 ( -2.962 4.579 -10.648) 11.963 6.145 ( 6.844 -1.059 26.097) 27.000 6.145 ( 6.844 1.059 26.097) 27.000 6.381 ( 7.612 -1.314 -3.034) 8.299 6.381 ( 7.612 1.314 -3.034) 8.299 6.520 ( 9.829 -2.885 23.625) 25.750 6.520 ( 9.829 2.885 23.625) 25.750 7.299 ( 7.553 -7.322 -32.821) 34.466 7.299 ( 7.553 7.323 -32.822) 34.467 7.557 ( -6.600 -3.690 -0.335) 7.569 7.557 ( -6.600 3.690 -0.334) 7.569 7.637 ( -1.062 -2.525 -13.188) 13.469 7.637 ( -1.062 2.525 -13.188) 13.469 8.611 ( -11.543 -0.760 22.253) 25.080 8.611 ( -11.544 0.759 22.254) 25.082 8.712 ( -1.492 -4.334 6.715) 8.130 8.712 ( -1.491 4.335 6.713) 8.129 8.787 ( -1.739 -4.977 -4.963) 7.241 8.787 ( -1.739 4.979 -4.965) 7.243 9.129 ( -17.357 -0.687 -21.405) 27.566 9.129 ( -17.357 0.687 -21.405) 27.566 10.133 ( 2.951 -1.310 6.198) 6.988 10.133 ( 2.951 1.310 6.198) 6.988 10.269 ( -4.047 -1.644 -7.481) 8.663 10.269 ( -4.047 1.644 -7.481) 8.663 12.545 ( -3.703 -1.910 1.527) 4.437 12.545 ( -3.703 1.910 1.527) 4.437 12.575 ( -3.120 -1.951 -1.726) 4.064 12.575 ( -3.120 1.951 -1.726) 4.064 13.161 ( -0.584 -0.310 7.767) 7.795 13.161 ( -0.584 0.310 7.767) 7.795 13.243 ( 3.576 -1.024 7.593) 8.455 13.243 ( 3.576 1.024 7.593) 8.455 13.301 ( -1.026 -0.960 -4.718) 4.923 13.301 ( -1.026 0.960 -4.718) 4.923 13.431 ( 4.112 -1.275 -8.469) 9.501 13.431 ( 4.112 1.275 -8.469) 9.501 13.731 ( -0.986 -1.519 2.319) 2.942 13.731 ( -0.986 1.519 2.319) 2.942 13.759 ( -1.894 -0.813 0.063) 2.062 13.759 ( -1.894 0.813 0.063) 2.062 13.912 ( 4.675 -4.767 2.072) 6.991 13.912 ( 4.675 4.767 2.072) 6.991 13.950 ( 3.903 -4.427 -1.539) 6.100 13.950 ( 3.903 4.427 -1.539) 6.100 14.180 ( 5.530 -2.665 4.088) 7.376 14.180 ( 5.530 2.666 4.088) 7.376 14.276 ( 2.427 -1.966 -5.164) 6.035 14.276 ( 2.427 1.966 -5.164) 6.035 14.576 ( 0.042 -0.291 3.845) 3.856 14.576 ( 0.042 0.290 3.845) 3.856 14.616 ( 1.510 -0.196 1.124) 1.893 14.616 ( 1.510 0.196 1.124) 1.892 14.745 ( -0.618 -2.402 2.141) 3.276 14.745 ( -0.618 2.402 2.141) 3.276 14.821 ( -1.219 -1.856 -5.117) 5.578 14.821 ( -1.219 1.856 -5.117) 5.578 15.177 ( -1.662 -0.832 -2.911) 3.454 15.177 ( -1.662 0.832 -2.911) 3.454 15.188 ( -0.563 -1.383 -3.573) 3.872 15.188 ( -0.563 1.383 -3.573) 3.872 15.692 ( 6.877 -12.530 5.547) 15.332 15.692 ( 6.877 12.531 5.547) 15.333 15.824 ( 7.072 -13.715 -8.518) 17.625 15.824 ( 7.071 13.715 -8.518) 17.626 17.073 ( -0.452 -4.507 15.439) 16.090 17.073 ( -0.452 4.508 15.440) 16.091 17.400 ( -2.435 -8.418 -19.349) 21.241 17.400 ( -2.436 8.418 -19.350) 21.242 18.489 ( -5.557 -6.010 22.507) 23.949 18.489 ( -5.557 6.011 22.507) 23.949 18.906 ( -7.042 -10.931 -21.201) 24.870 18.906 ( -7.042 10.931 -21.201) 24.870 ======================= Grid point 246 (87/90) ======================= q-point: ( 0.20 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.505 ( 13.391 -14.222 23.383) 30.468 3.505 ( 13.391 14.222 23.383) 30.468 3.859 ( 9.694 -10.208 -0.965) 14.111 3.859 ( 9.694 10.208 -0.965) 14.111 4.309 ( 15.522 -7.915 3.138) 17.704 4.309 ( 15.522 7.915 3.138) 17.704 4.676 ( 4.359 -2.962 -22.083) 22.703 4.676 ( 4.359 2.962 -22.083) 22.703 5.383 ( -4.695 -11.348 12.916) 17.822 5.383 ( -4.695 11.348 12.916) 17.822 5.699 ( -1.707 -8.085 -18.895) 20.623 5.699 ( -1.707 8.085 -18.895) 20.623 6.304 ( 6.499 -3.696 14.329) 16.162 6.304 ( 6.499 3.696 14.329) 16.162 6.479 ( 1.304 -4.511 -6.326) 7.879 6.479 ( 1.304 4.511 -6.326) 7.878 6.837 ( 21.498 -6.290 39.340) 45.270 6.837 ( 21.498 6.290 39.340) 45.270 7.321 ( -6.484 -13.293 1.402) 14.856 7.321 ( -6.484 13.294 1.402) 14.857 7.417 ( -6.653 -5.827 -3.028) 9.348 7.417 ( -6.653 5.827 -3.028) 9.348 7.753 ( 13.400 -4.523 -36.259) 38.920 7.753 ( 13.401 4.523 -36.260) 38.920 8.249 ( -23.097 -0.564 22.556) 32.289 8.249 ( -23.097 0.564 22.556) 32.289 8.583 ( -21.163 -2.648 -9.857) 23.495 8.583 ( -21.163 2.649 -9.857) 23.496 8.753 ( 0.739 -3.146 -1.025) 3.390 8.753 ( 0.738 3.146 -1.026) 3.391 8.842 ( -3.407 -0.819 -9.587) 10.207 8.842 ( -3.407 0.821 -9.587) 10.207 10.138 ( -8.749 -0.588 -0.612) 8.790 10.138 ( -8.749 0.588 -0.612) 8.790 10.158 ( -1.706 -0.560 -3.116) 3.596 10.158 ( -1.706 0.560 -3.116) 3.596 12.467 ( -3.746 -1.552 1.742) 4.413 12.467 ( -3.746 1.552 1.742) 4.413 12.502 ( -3.947 -1.568 -1.919) 4.660 12.502 ( -3.947 1.568 -1.919) 4.660 13.129 ( -1.981 -1.302 5.892) 6.351 13.129 ( -1.981 1.302 5.892) 6.351 13.241 ( -2.193 -1.171 -5.503) 6.039 13.241 ( -2.193 1.171 -5.503) 6.039 13.384 ( 6.791 -2.720 8.292) 11.058 13.384 ( 6.791 2.720 8.292) 11.058 13.525 ( 4.920 -2.148 -5.537) 7.713 13.525 ( 4.920 2.148 -5.537) 7.713 13.692 ( -2.576 -0.402 1.644) 3.082 13.692 ( -2.576 0.402 1.644) 3.082 13.708 ( -2.714 -0.525 -0.035) 2.765 13.708 ( -2.714 0.525 -0.035) 2.765 14.028 ( 5.935 -2.508 1.303) 6.574 14.028 ( 5.935 2.508 1.303) 6.574 14.052 ( 5.561 -1.458 -1.065) 5.847 14.052 ( 5.561 1.458 -1.065) 5.847 14.279 ( 3.662 -2.323 3.064) 5.310 14.279 ( 3.662 2.323 3.064) 5.310 14.331 ( 2.371 -2.971 -1.654) 4.146 14.331 ( 2.371 2.972 -1.654) 4.146 14.594 ( 1.623 -0.467 2.439) 2.967 14.594 ( 1.623 0.467 2.439) 2.967 14.652 ( 0.945 -1.561 -2.472) 3.073 14.652 ( 0.945 1.561 -2.472) 3.073 14.735 ( 1.068 -1.934 4.306) 4.840 14.735 ( 1.068 1.935 4.306) 4.840 14.822 ( 1.664 -1.200 -4.165) 4.643 14.822 ( 1.664 1.200 -4.165) 4.643 15.151 ( -0.332 -2.464 -0.986) 2.675 15.151 ( -0.332 2.464 -0.986) 2.675 15.208 ( 3.387 -3.409 -5.906) 7.614 15.208 ( 3.387 3.410 -5.906) 7.614 15.861 ( 9.808 -12.927 6.223) 17.379 15.861 ( 9.808 12.927 6.224) 17.379 16.004 ( 10.643 -13.991 -8.744) 19.634 16.004 ( 10.643 13.992 -8.744) 19.634 17.055 ( -1.556 -1.266 13.761) 13.907 17.055 ( -1.556 1.267 13.761) 13.907 17.334 ( -4.196 -6.198 -15.764) 17.451 17.334 ( -4.196 6.199 -15.765) 17.452 18.337 ( -9.446 -3.383 19.544) 21.969 18.337 ( -9.446 3.383 19.544) 21.969 18.709 ( -12.444 -8.578 -19.363) 24.564 18.709 ( -12.444 8.578 -19.363) 24.564 ======================= Grid point 248 (88/90) ======================= q-point: ( 0.30 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.804 ( 16.141 -7.600 20.264) 26.999 3.804 ( 16.141 7.601 20.264) 26.999 4.059 ( 9.616 -10.375 -0.334) 14.150 4.059 ( 9.616 10.375 -0.334) 14.150 4.659 ( 18.309 -7.251 -6.279) 20.669 4.659 ( 18.309 7.251 -6.279) 20.669 4.771 ( 4.818 -2.228 -12.706) 13.770 4.771 ( 4.818 2.228 -12.706) 13.770 5.378 ( 5.633 -9.537 17.002) 20.291 5.378 ( 5.633 9.537 17.002) 20.291 5.746 ( 7.386 -5.846 -20.279) 22.360 5.746 ( 7.386 5.846 -20.279) 22.360 6.325 ( -5.282 -9.499 5.371) 12.123 6.325 ( -5.282 9.499 5.371) 12.123 6.433 ( -4.913 -9.919 -5.199) 12.229 6.433 ( -4.913 9.919 -5.199) 12.229 7.139 ( -2.521 -10.082 7.593) 12.870 7.139 ( -2.521 10.081 7.593) 12.870 7.230 ( -1.919 -13.230 3.176) 13.740 7.230 ( -1.920 13.231 3.176) 13.741 7.399 ( 10.992 -2.586 25.874) 28.231 7.399 ( 10.992 2.586 25.874) 28.231 7.742 ( -19.694 -0.914 18.322) 26.915 7.742 ( -19.694 0.914 18.322) 26.915 7.915 ( -17.224 -2.319 -13.399) 21.945 7.915 ( -17.224 2.319 -13.399) 21.945 8.201 ( 1.167 -5.726 -21.248) 22.037 8.201 ( 1.168 5.727 -21.248) 22.037 8.788 ( 2.253 -2.665 0.963) 3.620 8.788 ( 2.253 2.666 0.963) 3.621 8.903 ( 8.148 -3.594 -13.115) 15.852 8.903 ( 8.148 3.594 -13.115) 15.853 9.901 ( -14.674 -1.320 7.206) 16.401 9.901 ( -14.674 1.320 7.206) 16.401 10.076 ( -7.140 -0.449 -11.119) 13.222 10.076 ( -7.140 0.449 -11.119) 13.222 12.405 ( -2.399 -1.383 1.217) 3.025 12.405 ( -2.399 1.383 1.217) 3.025 12.430 ( -3.074 -1.367 -1.370) 3.633 12.430 ( -3.074 1.367 -1.370) 3.633 13.091 ( -1.769 -1.364 5.499) 5.935 13.091 ( -1.769 1.364 5.499) 5.935 13.197 ( -2.159 -1.218 -5.489) 6.023 13.197 ( -2.159 1.218 -5.489) 6.023 13.502 ( 4.395 -2.682 7.360) 8.982 13.502 ( 4.395 2.682 7.360) 8.982 13.603 ( 2.119 -2.170 -1.930) 3.595 13.603 ( 2.119 2.170 -1.930) 3.595 13.651 ( -1.169 -1.545 1.023) 2.191 13.651 ( -1.169 1.545 1.023) 2.191 13.668 ( -0.424 -1.065 -1.531) 1.913 13.668 ( -0.424 1.065 -1.531) 1.913 14.124 ( 3.679 -0.928 0.481) 3.825 14.124 ( 3.679 0.928 0.481) 3.825 14.145 ( 3.526 -0.505 -1.602) 3.906 14.145 ( 3.526 0.505 -1.602) 3.906 14.329 ( 1.667 -2.041 3.021) 4.009 14.329 ( 1.667 2.041 3.021) 4.009 14.356 ( 0.629 -1.979 0.331) 2.103 14.356 ( 0.629 1.979 0.331) 2.103 14.610 ( -0.360 -0.213 1.256) 1.324 14.610 ( -0.360 0.213 1.256) 1.324 14.632 ( -1.895 -0.885 -0.385) 2.127 14.632 ( -1.895 0.885 -0.385) 2.127 14.797 ( 3.406 -1.684 1.975) 4.282 14.797 ( 3.406 1.685 1.975) 4.282 14.867 ( 1.661 -1.836 -5.064) 5.637 14.867 ( 1.662 1.836 -5.064) 5.637 15.200 ( 5.882 -3.793 5.114) 8.668 15.200 ( 5.881 3.793 5.114) 8.668 15.341 ( 9.683 -4.295 -8.850) 13.804 15.341 ( 9.683 4.295 -8.850) 13.804 16.066 ( 10.690 -12.617 7.493) 18.155 16.066 ( 10.690 12.617 7.493) 18.155 16.229 ( 11.850 -12.122 -9.416) 19.391 16.229 ( 11.850 12.122 -9.416) 19.392 17.005 ( -3.666 -3.444 11.895) 12.915 17.005 ( -3.666 3.444 11.895) 12.915 17.236 ( -5.697 -2.142 -12.390) 13.804 17.236 ( -5.697 2.142 -12.390) 13.805 18.139 ( -9.767 -0.384 14.407) 17.410 18.139 ( -9.767 0.384 14.407) 17.410 18.435 ( -14.680 -4.786 -16.252) 22.417 18.435 ( -14.680 4.787 -16.251) 22.417 ======================= Grid point 250 (89/90) ======================= q-point: ( 0.40 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.098 ( 11.982 -6.193 11.748) 17.887 4.098 ( 11.982 6.193 11.748) 17.887 4.209 ( 5.242 -8.147 0.629) 9.708 4.209 ( 5.242 8.147 0.629) 9.708 4.838 ( 3.265 -2.056 1.165) 4.030 4.838 ( 3.265 2.055 1.165) 4.030 4.976 ( 11.104 -0.527 -13.018) 17.118 4.976 ( 11.104 0.527 -13.018) 17.118 5.639 ( 19.317 -2.608 18.851) 27.116 5.639 ( 19.317 2.608 18.850) 27.116 5.958 ( 9.830 -2.988 -12.792) 16.407 5.958 ( 9.830 2.988 -12.792) 16.407 6.177 ( -5.872 -6.066 1.142) 8.519 6.177 ( -5.872 6.066 1.141) 8.519 6.335 ( -0.584 -8.688 -12.347) 15.109 6.335 ( -0.584 8.688 -12.347) 15.109 6.950 ( -23.312 -2.851 15.125) 27.934 6.950 ( -23.311 2.852 15.125) 27.934 7.104 ( -8.854 -3.440 1.606) 9.633 7.104 ( -8.854 3.441 1.606) 9.634 7.237 ( -6.630 -10.659 -0.379) 12.559 7.237 ( -6.630 10.659 -0.379) 12.559 7.356 ( -25.019 -3.522 -9.232) 26.899 7.356 ( -25.019 3.522 -9.232) 26.899 7.988 ( 21.092 -5.487 26.329) 34.178 7.988 ( 21.092 5.487 26.329) 34.179 8.348 ( 5.582 -4.711 -9.907) 12.308 8.348 ( 5.582 4.712 -9.907) 12.308 8.858 ( 5.487 -6.136 7.882) 11.396 8.858 ( 5.488 6.137 7.882) 11.397 9.132 ( 12.854 -5.068 -20.157) 24.438 9.132 ( 12.855 5.068 -20.157) 24.439 9.585 ( -15.227 -3.486 11.078) 19.150 9.585 ( -15.227 3.486 11.078) 19.150 9.879 ( -12.504 -1.777 -18.138) 22.102 9.879 ( -12.504 1.777 -18.138) 22.102 12.372 ( -1.065 -1.314 0.617) 1.800 12.372 ( -1.065 1.314 0.617) 1.800 12.384 ( -1.570 -1.295 -0.622) 2.128 12.384 ( -1.570 1.295 -0.622) 2.128 13.062 ( -1.082 -1.337 5.283) 5.556 13.062 ( -1.082 1.337 5.283) 5.556 13.160 ( -1.374 -1.128 -4.981) 5.289 13.160 ( -1.374 1.128 -4.981) 5.289 13.538 ( -0.114 -0.724 5.017) 5.070 13.538 ( -0.114 0.724 5.017) 5.070 13.608 ( -0.751 -0.299 -2.201) 2.345 13.608 ( -0.751 0.299 -2.201) 2.345 13.652 ( 1.453 -0.552 3.195) 3.553 13.652 ( 1.453 0.552 3.195) 3.553 13.698 ( 1.839 -1.310 -1.500) 2.711 13.698 ( 1.839 1.310 -1.500) 2.711 14.172 ( 1.323 -1.236 0.452) 1.866 14.172 ( 1.323 1.236 0.452) 1.866 14.192 ( 1.459 -0.867 -1.692) 2.396 14.192 ( 1.459 0.867 -1.692) 2.396 14.347 ( 0.302 -1.865 2.818) 3.393 14.347 ( 0.302 1.865 2.818) 3.393 14.374 ( 1.022 -1.495 0.174) 1.819 14.374 ( 1.022 1.495 0.174) 1.819 14.590 ( -1.165 -1.903 1.297) 2.581 14.590 ( -1.165 1.903 1.297) 2.581 14.602 ( -1.025 -1.117 -0.152) 1.524 14.602 ( -1.025 1.117 -0.152) 1.524 14.842 ( 1.262 -0.995 -0.093) 1.610 14.842 ( 1.262 0.996 -0.092) 1.610 14.875 ( -0.332 -1.804 -3.671) 4.104 14.875 ( -0.332 1.805 -3.671) 4.104 15.348 ( 7.301 -4.615 9.526) 12.858 15.348 ( 7.301 4.615 9.525) 12.858 15.539 ( 8.662 -2.149 -9.940) 13.359 15.539 ( 8.662 2.149 -9.940) 13.358 16.273 ( 9.933 -9.512 9.227) 16.561 16.273 ( 9.933 9.513 9.227) 16.562 16.449 ( 9.289 -6.025 -8.067) 13.699 16.449 ( 9.288 6.026 -8.067) 13.699 16.918 ( -4.175 -6.717 8.039) 11.277 16.918 ( -4.175 6.717 8.039) 11.277 17.107 ( -7.250 -2.600 -10.682) 13.169 17.107 ( -7.250 2.600 -10.682) 13.169 17.984 ( -5.210 -3.473 7.397) 9.691 17.984 ( -5.210 3.473 7.397) 9.691 18.164 ( -11.698 -0.223 -11.253) 16.233 18.164 ( -11.698 0.223 -11.253) 16.233 ======================= Grid point 252 (90/90) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.217 ( 0.000 -6.735 5.009) 8.393 4.217 ( 0.000 6.735 5.009) 8.393 4.267 ( 0.000 -8.280 0.004) 8.280 4.267 ( 0.000 8.280 0.004) 8.280 4.881 ( 0.000 -1.411 11.732) 11.817 4.881 ( 0.000 1.411 11.732) 11.817 5.083 ( 0.000 -7.133 -10.072) 12.342 5.083 ( -0.000 7.133 -10.072) 12.342 5.906 ( -0.000 -5.611 0.958) 5.692 5.906 ( -0.000 5.611 0.958) 5.692 5.995 ( 0.000 -8.331 -9.565) 12.684 5.995 ( 0.000 8.331 -9.565) 12.684 6.209 ( 0.000 -3.570 15.750) 16.149 6.209 ( 0.000 3.570 15.750) 16.149 6.472 ( -0.000 -0.449 4.279) 4.303 6.472 ( -0.000 0.449 4.279) 4.303 6.574 ( -0.000 -0.990 -4.210) 4.325 6.574 ( -0.000 0.990 -4.210) 4.325 6.810 ( 0.000 -2.898 -14.797) 15.078 6.810 ( 0.000 2.898 -14.797) 15.078 7.135 ( 0.000 -2.694 5.412) 6.045 7.135 ( 0.000 2.695 5.412) 6.046 7.222 ( 0.000 -7.201 -3.597) 8.050 7.222 ( 0.000 7.202 -3.597) 8.050 8.237 ( 0.000 -3.071 13.468) 13.814 8.237 ( 0.000 3.071 13.468) 13.814 8.390 ( 0.000 -1.034 -2.025) 2.273 8.390 ( -0.000 1.035 -2.025) 2.274 8.977 ( 0.000 -1.923 19.186) 19.282 8.977 ( 0.000 1.923 19.186) 19.282 9.195 ( 0.000 -6.299 4.420) 7.695 9.195 ( 0.000 6.299 4.420) 7.695 9.520 ( -0.000 -1.964 -15.425) 15.549 9.520 ( -0.000 1.964 -15.425) 15.550 9.656 ( 0.000 -0.596 -21.873) 21.881 9.656 ( 0.000 0.596 -21.873) 21.881 12.361 ( 0.000 -1.306 0.392) 1.364 12.361 ( 0.000 1.306 0.392) 1.364 12.369 ( 0.000 -1.293 -0.309) 1.329 12.369 ( 0.000 1.293 -0.309) 1.329 13.051 ( 0.000 -1.319 5.203) 5.368 13.051 ( 0.000 1.319 5.203) 5.368 13.146 ( 0.000 -1.084 -4.746) 4.869 13.146 ( 0.000 1.084 -4.746) 4.869 13.533 ( 0.000 -0.069 4.199) 4.200 13.533 ( 0.000 0.069 4.199) 4.199 13.599 ( 0.000 -0.411 -2.672) 2.704 13.599 ( 0.000 0.411 -2.672) 2.704 13.671 ( 0.000 -0.725 3.733) 3.802 13.671 ( 0.000 0.725 3.733) 3.802 13.718 ( 0.000 -1.318 -1.042) 1.680 13.718 ( 0.000 1.318 -1.042) 1.680 14.184 ( 0.000 -1.867 0.760) 2.016 14.184 ( 0.000 1.867 0.760) 2.016 14.206 ( -0.000 -1.490 -1.740) 2.291 14.206 ( 0.000 1.490 -1.740) 2.291 14.349 ( 0.000 -1.567 3.098) 3.471 14.349 ( 0.000 1.567 3.098) 3.471 14.385 ( 0.000 -1.242 -0.437) 1.317 14.385 ( 0.000 1.242 -0.437) 1.317 14.578 ( 0.000 -1.915 1.451) 2.402 14.578 ( 0.000 1.915 1.451) 2.402 14.591 ( 0.000 -0.528 -0.409) 0.668 14.591 ( -0.000 0.528 -0.409) 0.668 14.854 ( -0.000 -0.757 -0.855) 1.142 14.854 ( -0.000 0.758 -0.855) 1.142 14.870 ( 0.000 -1.761 -2.754) 3.269 14.870 ( 0.000 1.761 -2.754) 3.269 15.429 ( 0.000 -4.269 10.875) 11.683 15.429 ( 0.000 4.269 10.875) 11.683 15.631 ( -0.000 -0.165 -9.993) 9.994 15.631 ( -0.000 0.165 -9.993) 9.994 16.404 ( 0.000 -5.870 10.232) 11.796 16.404 ( 0.000 5.870 10.232) 11.796 16.534 ( -0.000 -1.283 -0.788) 1.506 16.534 ( -0.000 1.283 -0.787) 1.506 16.895 ( -0.000 -7.760 -1.583) 7.920 16.895 ( 0.000 7.760 -1.583) 7.920 16.995 ( 0.000 -5.617 -9.445) 10.990 16.995 ( 0.000 5.618 -9.445) 10.990 17.942 ( 0.000 -6.134 2.303) 6.552 17.942 ( -0.000 6.135 2.303) 6.553 18.029 ( 0.000 -4.176 -6.740) 7.929 18.029 ( 0.000 4.176 -6.740) 7.929 =================== 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 3/30240 10.0 3151.270 811.254 4016.165 0.000 0.000 0.000 3/30240 20.0 2746.846 1013.341 3032.861 0.000 0.000 0.000 3/30240 30.0 1688.857 687.069 1673.001 0.000 0.000 0.000 3/30240 40.0 932.700 398.514 897.442 0.000 0.000 0.000 3/30240 50.0 558.134 239.129 532.656 0.000 0.000 0.000 3/30240 60.0 371.961 155.839 354.528 0.000 0.000 0.000 3/30240 70.0 270.060 109.858 258.008 0.000 0.000 0.000 3/30240 80.0 208.297 82.417 199.847 0.000 0.000 0.000 3/30240 90.0 167.561 64.797 161.560 0.000 0.000 0.000 3/30240 100.0 138.927 52.773 134.618 0.000 0.000 0.000 3/30240 110.0 117.843 44.159 114.724 0.000 0.000 0.000 3/30240 120.0 101.777 37.747 99.510 0.000 0.000 0.000 3/30240 130.0 89.211 32.826 87.563 0.000 0.000 0.000 3/30240 140.0 79.173 28.956 77.986 0.000 0.000 0.000 3/30240 150.0 71.016 25.849 70.174 0.000 0.000 0.000 3/30240 160.0 64.286 23.312 63.708 0.000 0.000 0.000 3/30240 170.0 58.662 21.207 58.287 0.000 0.000 0.000 3/30240 180.0 53.906 19.440 53.690 0.000 0.000 0.000 3/30240 190.0 49.843 17.938 49.752 0.000 0.000 0.000 3/30240 200.0 46.338 16.648 46.347 0.000 0.000 0.000 3/30240 210.0 43.290 15.531 43.377 0.000 0.000 0.000 3/30240 220.0 40.617 14.554 40.767 0.000 0.000 0.000 3/30240 230.0 38.256 13.694 38.457 0.000 0.000 0.000 3/30240 240.0 36.158 12.931 36.400 0.000 0.000 0.000 3/30240 250.0 34.282 12.250 34.556 0.000 0.000 0.000 3/30240 260.0 32.595 11.639 32.895 0.000 0.000 0.000 3/30240 270.0 31.070 11.088 31.391 0.000 0.000 0.000 3/30240 280.0 29.685 10.588 30.023 0.000 0.000 0.000 3/30240 290.0 28.422 10.133 28.774 0.000 0.000 0.000 3/30240 300.0 27.266 9.717 27.628 0.000 0.000 0.000 3/30240 310.0 26.203 9.334 26.573 0.000 0.000 0.000 3/30240 320.0 25.223 8.982 25.599 0.000 0.000 0.000 3/30240 330.0 24.317 8.657 24.696 0.000 0.000 0.000 3/30240 340.0 23.475 8.355 23.858 0.000 0.000 0.000 3/30240 350.0 22.692 8.074 23.076 0.000 0.000 0.000 3/30240 360.0 21.962 7.812 22.347 0.000 0.000 0.000 3/30240 370.0 21.279 7.568 21.663 0.000 0.000 0.000 3/30240 380.0 20.639 7.338 21.022 0.000 0.000 0.000 3/30240 390.0 20.037 7.123 20.419 0.000 0.000 0.000 3/30240 400.0 19.471 6.921 19.851 0.000 0.000 0.000 3/30240 410.0 18.937 6.730 19.315 0.000 0.000 0.000 3/30240 420.0 18.433 6.550 18.808 0.000 0.000 0.000 3/30240 430.0 17.956 6.379 18.328 0.000 0.000 0.000 3/30240 440.0 17.504 6.218 17.873 0.000 0.000 0.000 3/30240 450.0 17.074 6.065 17.441 0.000 0.000 0.000 3/30240 460.0 16.667 5.919 17.029 0.000 0.000 0.000 3/30240 470.0 16.278 5.781 16.638 0.000 0.000 0.000 3/30240 480.0 15.908 5.649 16.264 0.000 0.000 0.000 3/30240 490.0 15.555 5.523 15.908 0.000 0.000 0.000 3/30240 500.0 15.218 5.403 15.567 0.000 0.000 0.000 3/30240 510.0 14.896 5.288 15.241 0.000 0.000 0.000 3/30240 520.0 14.587 5.178 14.928 0.000 0.000 0.000 3/30240 530.0 14.291 5.072 14.629 0.000 0.000 0.000 3/30240 540.0 14.008 4.971 14.341 0.000 0.000 0.000 3/30240 550.0 13.736 4.874 14.065 0.000 0.000 0.000 3/30240 560.0 13.474 4.781 13.800 0.000 0.000 0.000 3/30240 570.0 13.222 4.692 13.545 0.000 0.000 0.000 3/30240 580.0 12.980 4.606 13.299 0.000 0.000 0.000 3/30240 590.0 12.747 4.523 13.062 0.000 0.000 0.000 3/30240 600.0 12.523 4.443 12.834 0.000 0.000 0.000 3/30240 610.0 12.306 4.365 12.614 0.000 0.000 0.000 3/30240 620.0 12.097 4.291 12.401 0.000 0.000 0.000 3/30240 630.0 11.895 4.219 12.196 0.000 0.000 0.000 3/30240 640.0 11.699 4.150 11.997 0.000 0.000 0.000 3/30240 650.0 11.511 4.083 11.805 0.000 0.000 0.000 3/30240 660.0 11.328 4.018 11.619 0.000 0.000 0.000 3/30240 670.0 11.151 3.955 11.439 0.000 0.000 0.000 3/30240 680.0 10.980 3.894 11.265 0.000 0.000 0.000 3/30240 690.0 10.814 3.835 11.096 0.000 0.000 0.000 3/30240 700.0 10.653 3.778 10.932 0.000 0.000 0.000 3/30240 710.0 10.497 3.722 10.772 0.000 0.000 0.000 3/30240 720.0 10.345 3.668 10.618 0.000 0.000 0.000 3/30240 730.0 10.198 3.616 10.468 0.000 0.000 0.000 3/30240 740.0 10.055 3.565 10.322 0.000 0.000 0.000 3/30240 750.0 9.917 3.516 10.180 0.000 0.000 0.000 3/30240 760.0 9.781 3.468 10.043 0.000 0.000 0.000 3/30240 770.0 9.650 3.421 9.908 0.000 0.000 0.000 3/30240 780.0 9.522 3.376 9.778 0.000 0.000 0.000 3/30240 790.0 9.398 3.332 9.651 0.000 0.000 0.000 3/30240 800.0 9.277 3.288 9.527 0.000 0.000 0.000 3/30240 810.0 9.159 3.247 9.407 0.000 0.000 0.000 3/30240 820.0 9.044 3.206 9.289 0.000 0.000 0.000 3/30240 830.0 8.932 3.166 9.174 0.000 0.000 0.000 3/30240 840.0 8.822 3.127 9.063 0.000 0.000 0.000 3/30240 850.0 8.716 3.089 8.954 0.000 0.000 0.000 3/30240 860.0 8.612 3.052 8.847 0.000 0.000 0.000 3/30240 870.0 8.510 3.016 8.743 0.000 0.000 0.000 3/30240 880.0 8.411 2.981 8.642 0.000 0.000 0.000 3/30240 890.0 8.314 2.947 8.543 0.000 0.000 0.000 3/30240 900.0 8.219 2.913 8.446 0.000 0.000 0.000 3/30240 910.0 8.127 2.880 8.351 0.000 0.000 0.000 3/30240 920.0 8.037 2.848 8.259 0.000 0.000 0.000 3/30240 930.0 7.948 2.817 8.169 0.000 0.000 0.000 3/30240 940.0 7.862 2.786 8.080 0.000 0.000 0.000 3/30240 950.0 7.777 2.756 7.994 0.000 0.000 0.000 3/30240 960.0 7.694 2.727 7.909 0.000 0.000 0.000 3/30240 970.0 7.614 2.698 7.826 0.000 0.000 0.000 3/30240 980.0 7.534 2.670 7.745 0.000 0.000 0.000 3/30240 990.0 7.457 2.642 7.665 0.000 0.000 0.000 3/30240 1000.0 7.381 2.615 7.587 0.000 0.000 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m1049.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:27:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|