----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:42:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.703271580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.110193339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.065169320000000 Atomic positions (fractional): *1 O 0.76205066702842 0.78956172601998 0.42559030970764 15.999 2 O 0.26205066702842 0.71043827398002 0.57440969029236 15.999 3 O 0.73794933297158 0.71043827398002 0.92559030970764 15.999 4 O 0.23794933297158 0.78956172601998 0.07440969029236 15.999 5 O 0.23794933297158 0.21043827398001 0.57440969029236 15.999 6 O 0.73794933297158 0.28956172601998 0.42559030970764 15.999 7 O 0.26205066702842 0.28956172601998 0.07440969029236 15.999 8 O 0.76205066702842 0.21043827398001 0.92559030970764 15.999 *9 O 0.76990748971541 0.87140301383660 0.90085505354648 15.999 10 O 0.26990748971541 0.62859698616340 0.09914494645352 15.999 11 O 0.73009251028459 0.62859698616340 0.40085505354648 15.999 12 O 0.23009251028459 0.87140301383660 0.59914494645352 15.999 *13 O 0.78078387905457 0.46439574200536 0.42682395681254 15.999 14 O 0.28078387905457 0.03560425799464 0.57317604318746 15.999 15 O 0.71921612094543 0.03560425799464 0.92682395681254 15.999 16 O 0.21921612094543 0.46439574200536 0.07317604318746 15.999 17 O 0.21921612094543 0.53560425799464 0.57317604318746 15.999 18 O 0.71921612094543 0.96439574200536 0.42682395681254 15.999 19 O 0.28078387905457 0.96439574200536 0.07317604318746 15.999 20 O 0.78078387905457 0.53560425799464 0.92682395681254 15.999 21 O 0.76990748971541 0.12859698616340 0.40085505354648 15.999 22 O 0.26990748971541 0.37140301383660 0.59914494645352 15.999 23 O 0.73009251028459 0.37140301383660 0.90085505354648 15.999 24 O 0.23009251028459 0.12859698616340 0.09914494645352 15.999 *25 Zn 0.00000000000000 0.10358542171249 0.75000000000000 65.380 26 Zn 0.50000000000000 0.39641457828751 0.25000000000000 65.380 27 Zn 0.00000000000000 0.89641457828751 0.25000000000000 65.380 28 Zn 0.50000000000000 0.60358542171249 0.75000000000000 65.380 *29 Ta 0.50000000000000 0.94474394388263 0.75000000000000 180.948 30 Ta 0.00000000000000 0.55525605611737 0.25000000000000 180.948 31 Ta 0.50000000000000 0.05525605611737 0.25000000000000 180.948 32 Ta 0.00000000000000 0.44474394388263 0.75000000000000 180.948 *33 Ta 0.00000000000000 0.21943286277457 0.25000000000000 180.948 34 Ta 0.50000000000000 0.28056713722543 0.75000000000000 180.948 35 Ta 0.00000000000000 0.78056713722543 0.75000000000000 180.948 36 Ta 0.50000000000000 0.71943286277457 0.25000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.703271580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.110193339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.065169320000000 Atomic positions (fractional): *1 O 0.76205066702842 0.78956172601998 0.42559030970764 15.999 > 1 2 O 0.26205066702842 0.71043827398002 0.57440969029236 15.999 > 2 3 O 0.73794933297158 0.71043827398002 0.92559030970764 15.999 > 3 4 O 0.23794933297158 0.78956172601998 0.07440969029236 15.999 > 4 5 O 0.23794933297158 0.21043827398001 0.57440969029236 15.999 > 5 6 O 0.73794933297158 0.28956172601998 0.42559030970764 15.999 > 6 7 O 0.26205066702842 0.28956172601998 0.07440969029236 15.999 > 7 8 O 0.76205066702842 0.21043827398001 0.92559030970764 15.999 > 8 *9 O 0.76990748971541 0.87140301383660 0.90085505354648 15.999 > 9 10 O 0.26990748971541 0.62859698616340 0.09914494645352 15.999 > 10 11 O 0.73009251028459 0.62859698616340 0.40085505354648 15.999 > 11 12 O 0.23009251028459 0.87140301383660 0.59914494645352 15.999 > 12 *13 O 0.78078387905457 0.46439574200536 0.42682395681254 15.999 > 13 14 O 0.28078387905457 0.03560425799464 0.57317604318746 15.999 > 14 15 O 0.71921612094543 0.03560425799464 0.92682395681254 15.999 > 15 16 O 0.21921612094543 0.46439574200536 0.07317604318746 15.999 > 16 17 O 0.21921612094543 0.53560425799464 0.57317604318746 15.999 > 17 18 O 0.71921612094543 0.96439574200536 0.42682395681254 15.999 > 18 19 O 0.28078387905457 0.96439574200536 0.07317604318746 15.999 > 19 20 O 0.78078387905457 0.53560425799464 0.92682395681254 15.999 > 20 21 O 0.76990748971541 0.12859698616340 0.40085505354648 15.999 > 21 22 O 0.26990748971541 0.37140301383660 0.59914494645352 15.999 > 22 23 O 0.73009251028459 0.37140301383660 0.90085505354648 15.999 > 23 24 O 0.23009251028459 0.12859698616340 0.09914494645352 15.999 > 24 *25 Zn 0.00000000000000 0.10358542171249 0.75000000000000 65.380 > 25 26 Zn 0.50000000000000 0.39641457828751 0.25000000000000 65.380 > 26 27 Zn 0.00000000000000 0.89641457828751 0.25000000000000 65.380 > 27 28 Zn 0.50000000000000 0.60358542171249 0.75000000000000 65.380 > 28 *29 Ta 0.50000000000000 0.94474394388263 0.75000000000000 180.948 > 29 30 Ta 0.00000000000000 0.55525605611737 0.25000000000000 180.948 > 30 31 Ta 0.50000000000000 0.05525605611737 0.25000000000000 180.948 > 31 32 Ta 0.00000000000000 0.44474394388263 0.75000000000000 180.948 > 32 *33 Ta 0.00000000000000 0.21943286277457 0.25000000000000 180.948 > 33 34 Ta 0.50000000000000 0.28056713722543 0.75000000000000 180.948 > 34 35 Ta 0.00000000000000 0.78056713722543 0.75000000000000 180.948 > 35 36 Ta 0.50000000000000 0.71943286277457 0.25000000000000 180.948 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.406543160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.110193339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.130338640000000 Atomic positions (fractional): *1 O 0.38102533351421 0.78956172601998 0.21279515485382 15.999 > 1 2 O 0.88102533351421 0.78956172601998 0.21279515485382 15.999 > 1 3 O 0.38102533351421 0.78956172601998 0.71279515485382 15.999 > 1 4 O 0.88102533351421 0.78956172601998 0.71279515485382 15.999 > 1 5 O 0.13102533351421 0.71043827398002 0.28720484514618 15.999 > 2 6 O 0.63102533351421 0.71043827398002 0.28720484514618 15.999 > 2 7 O 0.13102533351421 0.71043827398002 0.78720484514618 15.999 > 2 8 O 0.63102533351421 0.71043827398002 0.78720484514618 15.999 > 2 9 O 0.36897466648579 0.71043827398002 0.46279515485382 15.999 > 3 10 O 0.86897466648579 0.71043827398002 0.46279515485382 15.999 > 3 11 O 0.36897466648579 0.71043827398002 0.96279515485382 15.999 > 3 12 O 0.86897466648579 0.71043827398002 0.96279515485382 15.999 > 3 13 O 0.11897466648579 0.78956172601998 0.03720484514618 15.999 > 4 14 O 0.61897466648579 0.78956172601998 0.03720484514618 15.999 > 4 15 O 0.11897466648579 0.78956172601998 0.53720484514618 15.999 > 4 16 O 0.61897466648579 0.78956172601998 0.53720484514618 15.999 > 4 17 O 0.11897466648579 0.21043827398001 0.28720484514618 15.999 > 5 18 O 0.61897466648579 0.21043827398001 0.28720484514618 15.999 > 5 19 O 0.11897466648579 0.21043827398001 0.78720484514618 15.999 > 5 20 O 0.61897466648579 0.21043827398001 0.78720484514618 15.999 > 5 21 O 0.36897466648579 0.28956172601998 0.21279515485382 15.999 > 6 22 O 0.86897466648579 0.28956172601998 0.21279515485382 15.999 > 6 23 O 0.36897466648579 0.28956172601998 0.71279515485382 15.999 > 6 24 O 0.86897466648579 0.28956172601998 0.71279515485382 15.999 > 6 25 O 0.13102533351421 0.28956172601998 0.03720484514618 15.999 > 7 26 O 0.63102533351421 0.28956172601998 0.03720484514618 15.999 > 7 27 O 0.13102533351421 0.28956172601998 0.53720484514618 15.999 > 7 28 O 0.63102533351421 0.28956172601998 0.53720484514618 15.999 > 7 29 O 0.38102533351421 0.21043827398001 0.46279515485382 15.999 > 8 30 O 0.88102533351421 0.21043827398001 0.46279515485382 15.999 > 8 31 O 0.38102533351421 0.21043827398001 0.96279515485382 15.999 > 8 32 O 0.88102533351421 0.21043827398001 0.96279515485382 15.999 > 8 *33 O 0.38495374485770 0.87140301383660 0.45042752677324 15.999 > 9 34 O 0.88495374485770 0.87140301383660 0.45042752677324 15.999 > 9 35 O 0.38495374485770 0.87140301383660 0.95042752677324 15.999 > 9 36 O 0.88495374485770 0.87140301383660 0.95042752677324 15.999 > 9 37 O 0.13495374485770 0.62859698616340 0.04957247322676 15.999 > 10 38 O 0.63495374485770 0.62859698616340 0.04957247322676 15.999 > 10 39 O 0.13495374485770 0.62859698616340 0.54957247322676 15.999 > 10 40 O 0.63495374485770 0.62859698616340 0.54957247322676 15.999 > 10 41 O 0.36504625514230 0.62859698616340 0.20042752677324 15.999 > 11 42 O 0.86504625514230 0.62859698616340 0.20042752677324 15.999 > 11 43 O 0.36504625514230 0.62859698616340 0.70042752677324 15.999 > 11 44 O 0.86504625514230 0.62859698616340 0.70042752677324 15.999 > 11 45 O 0.11504625514230 0.87140301383660 0.29957247322676 15.999 > 12 46 O 0.61504625514230 0.87140301383660 0.29957247322676 15.999 > 12 47 O 0.11504625514230 0.87140301383660 0.79957247322676 15.999 > 12 48 O 0.61504625514230 0.87140301383660 0.79957247322676 15.999 > 12 *49 O 0.39039193952728 0.46439574200536 0.21341197840627 15.999 > 13 50 O 0.89039193952728 0.46439574200536 0.21341197840627 15.999 > 13 51 O 0.39039193952728 0.46439574200536 0.71341197840627 15.999 > 13 52 O 0.89039193952728 0.46439574200536 0.71341197840627 15.999 > 13 53 O 0.14039193952728 0.03560425799464 0.28658802159373 15.999 > 14 54 O 0.64039193952728 0.03560425799464 0.28658802159373 15.999 > 14 55 O 0.14039193952728 0.03560425799464 0.78658802159373 15.999 > 14 56 O 0.64039193952728 0.03560425799464 0.78658802159373 15.999 > 14 57 O 0.35960806047272 0.03560425799464 0.46341197840627 15.999 > 15 58 O 0.85960806047272 0.03560425799464 0.46341197840627 15.999 > 15 59 O 0.35960806047272 0.03560425799464 0.96341197840627 15.999 > 15 60 O 0.85960806047272 0.03560425799464 0.96341197840627 15.999 > 15 61 O 0.10960806047272 0.46439574200536 0.03658802159373 15.999 > 16 62 O 0.60960806047272 0.46439574200536 0.03658802159373 15.999 > 16 63 O 0.10960806047272 0.46439574200536 0.53658802159373 15.999 > 16 64 O 0.60960806047272 0.46439574200536 0.53658802159373 15.999 > 16 65 O 0.10960806047272 0.53560425799464 0.28658802159373 15.999 > 17 66 O 0.60960806047272 0.53560425799464 0.28658802159373 15.999 > 17 67 O 0.10960806047272 0.53560425799464 0.78658802159373 15.999 > 17 68 O 0.60960806047272 0.53560425799464 0.78658802159373 15.999 > 17 69 O 0.35960806047272 0.96439574200536 0.21341197840627 15.999 > 18 70 O 0.85960806047272 0.96439574200536 0.21341197840627 15.999 > 18 71 O 0.35960806047272 0.96439574200536 0.71341197840627 15.999 > 18 72 O 0.85960806047272 0.96439574200536 0.71341197840627 15.999 > 18 73 O 0.14039193952728 0.96439574200536 0.03658802159373 15.999 > 19 74 O 0.64039193952728 0.96439574200536 0.03658802159373 15.999 > 19 75 O 0.14039193952728 0.96439574200536 0.53658802159373 15.999 > 19 76 O 0.64039193952728 0.96439574200536 0.53658802159373 15.999 > 19 77 O 0.39039193952728 0.53560425799464 0.46341197840627 15.999 > 20 78 O 0.89039193952728 0.53560425799464 0.46341197840627 15.999 > 20 79 O 0.39039193952728 0.53560425799464 0.96341197840627 15.999 > 20 80 O 0.89039193952728 0.53560425799464 0.96341197840627 15.999 > 20 81 O 0.38495374485770 0.12859698616340 0.20042752677324 15.999 > 21 82 O 0.88495374485770 0.12859698616340 0.20042752677324 15.999 > 21 83 O 0.38495374485770 0.12859698616340 0.70042752677324 15.999 > 21 84 O 0.88495374485770 0.12859698616340 0.70042752677324 15.999 > 21 85 O 0.13495374485770 0.37140301383660 0.29957247322676 15.999 > 22 86 O 0.63495374485770 0.37140301383660 0.29957247322676 15.999 > 22 87 O 0.13495374485770 0.37140301383660 0.79957247322676 15.999 > 22 88 O 0.63495374485770 0.37140301383660 0.79957247322676 15.999 > 22 89 O 0.36504625514230 0.37140301383660 0.45042752677324 15.999 > 23 90 O 0.86504625514230 0.37140301383660 0.45042752677324 15.999 > 23 91 O 0.36504625514230 0.37140301383660 0.95042752677324 15.999 > 23 92 O 0.86504625514230 0.37140301383660 0.95042752677324 15.999 > 23 93 O 0.11504625514230 0.12859698616340 0.04957247322676 15.999 > 24 94 O 0.61504625514230 0.12859698616340 0.04957247322676 15.999 > 24 95 O 0.11504625514230 0.12859698616340 0.54957247322676 15.999 > 24 96 O 0.61504625514230 0.12859698616340 0.54957247322676 15.999 > 24 *97 Zn 0.00000000000000 0.10358542171249 0.37500000000000 65.380 > 25 98 Zn 0.50000000000000 0.10358542171249 0.37500000000000 65.380 > 25 99 Zn 0.00000000000000 0.10358542171249 0.87500000000000 65.380 > 25 100 Zn 0.50000000000000 0.10358542171249 0.87500000000000 65.380 > 25 101 Zn 0.25000000000000 0.39641457828751 0.12500000000000 65.380 > 26 102 Zn 0.75000000000000 0.39641457828751 0.12500000000000 65.380 > 26 103 Zn 0.25000000000000 0.39641457828751 0.62500000000000 65.380 > 26 104 Zn 0.75000000000000 0.39641457828751 0.62500000000000 65.380 > 26 105 Zn 0.00000000000000 0.89641457828751 0.12500000000000 65.380 > 27 106 Zn 0.50000000000000 0.89641457828751 0.12500000000000 65.380 > 27 107 Zn 0.00000000000000 0.89641457828751 0.62500000000000 65.380 > 27 108 Zn 0.50000000000000 0.89641457828751 0.62500000000000 65.380 > 27 109 Zn 0.25000000000000 0.60358542171249 0.37500000000000 65.380 > 28 110 Zn 0.75000000000000 0.60358542171249 0.37500000000000 65.380 > 28 111 Zn 0.25000000000000 0.60358542171249 0.87500000000000 65.380 > 28 112 Zn 0.75000000000000 0.60358542171249 0.87500000000000 65.380 > 28 *113 Ta 0.25000000000000 0.94474394388263 0.37500000000000 180.948 > 29 114 Ta 0.75000000000000 0.94474394388263 0.37500000000000 180.948 > 29 115 Ta 0.25000000000000 0.94474394388263 0.87500000000000 180.948 > 29 116 Ta 0.75000000000000 0.94474394388263 0.87500000000000 180.948 > 29 117 Ta 0.00000000000000 0.55525605611737 0.12500000000000 180.948 > 30 118 Ta 0.50000000000000 0.55525605611737 0.12500000000000 180.948 > 30 119 Ta 0.00000000000000 0.55525605611737 0.62500000000000 180.948 > 30 120 Ta 0.50000000000000 0.55525605611737 0.62500000000000 180.948 > 30 121 Ta 0.25000000000000 0.05525605611737 0.12500000000000 180.948 > 31 122 Ta 0.75000000000000 0.05525605611737 0.12500000000000 180.948 > 31 123 Ta 0.25000000000000 0.05525605611737 0.62500000000000 180.948 > 31 124 Ta 0.75000000000000 0.05525605611737 0.62500000000000 180.948 > 31 125 Ta 0.00000000000000 0.44474394388263 0.37500000000000 180.948 > 32 126 Ta 0.50000000000000 0.44474394388263 0.37500000000000 180.948 > 32 127 Ta 0.00000000000000 0.44474394388263 0.87500000000000 180.948 > 32 128 Ta 0.50000000000000 0.44474394388263 0.87500000000000 180.948 > 32 *129 Ta 0.00000000000000 0.21943286277457 0.12500000000000 180.948 > 33 130 Ta 0.50000000000000 0.21943286277457 0.12500000000000 180.948 > 33 131 Ta 0.00000000000000 0.21943286277457 0.62500000000000 180.948 > 33 132 Ta 0.50000000000000 0.21943286277457 0.62500000000000 180.948 > 33 133 Ta 0.25000000000000 0.28056713722543 0.37500000000000 180.948 > 34 134 Ta 0.75000000000000 0.28056713722543 0.37500000000000 180.948 > 34 135 Ta 0.25000000000000 0.28056713722543 0.87500000000000 180.948 > 34 136 Ta 0.75000000000000 0.28056713722543 0.87500000000000 180.948 > 34 137 Ta 0.00000000000000 0.78056713722543 0.37500000000000 180.948 > 35 138 Ta 0.50000000000000 0.78056713722543 0.37500000000000 180.948 > 35 139 Ta 0.00000000000000 0.78056713722543 0.87500000000000 180.948 > 35 140 Ta 0.50000000000000 0.78056713722543 0.87500000000000 180.948 > 35 141 Ta 0.25000000000000 0.71943286277457 0.12500000000000 180.948 > 36 142 Ta 0.75000000000000 0.71943286277457 0.12500000000000 180.948 > 36 143 Ta 0.25000000000000 0.71943286277457 0.62500000000000 180.948 > 36 144 Ta 0.75000000000000 0.71943286277457 0.62500000000000 180.948 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7656689 0.0000000 0.0000000 0.0000000 5.4403492 0.0000000 0.0000000 0.0000000 5.6974457 -------------------------- Born effective charges -------------------------- 1 O -3.3496795 -1.0266483 -1.9987152 -1.1317683 -2.2557233 -0.7657938 -1.7123105 -0.6521558 -3.4278089 2 O -3.3496795 1.0266483 1.9987152 1.1317683 -2.2557233 -0.7657938 1.7123105 -0.6521558 -3.4278089 3 O -3.3496795 -1.0266483 1.9987152 -1.1317683 -2.2557233 0.7657938 1.7123105 0.6521558 -3.4278089 4 O -3.3496795 1.0266483 -1.9987152 1.1317683 -2.2557233 0.7657938 -1.7123105 0.6521558 -3.4278089 5 O -3.3496795 -1.0266483 -1.9987152 -1.1317683 -2.2557233 -0.7657938 -1.7123105 -0.6521558 -3.4278089 6 O -3.3496795 1.0266483 1.9987152 1.1317683 -2.2557233 -0.7657938 1.7123105 -0.6521558 -3.4278089 7 O -3.3496795 -1.0266483 1.9987152 -1.1317683 -2.2557233 0.7657938 1.7123105 0.6521558 -3.4278089 8 O -3.3496795 1.0266483 -1.9987152 1.1317683 -2.2557233 0.7657938 -1.7123105 0.6521558 -3.4278089 9 O -3.1035535 2.0057873 -0.4601046 1.8354240 -3.5012937 0.0777555 -0.4087382 -0.1607941 -2.0009327 10 O -3.1035535 -2.0057873 0.4601046 -1.8354240 -3.5012937 0.0777555 0.4087382 -0.1607941 -2.0009327 11 O -3.1035535 2.0057873 0.4601046 1.8354240 -3.5012937 -0.0777555 0.4087382 0.1607941 -2.0009327 12 O -3.1035535 -2.0057873 -0.4601046 -1.8354240 -3.5012937 -0.0777555 -0.4087382 0.1607941 -2.0009327 13 O -2.0881060 -0.5551725 -0.5409055 -0.5634315 -2.3926599 0.7443770 -0.5997064 0.9709314 -3.2637816 14 O -2.0881060 0.5551725 0.5409055 0.5634315 -2.3926599 0.7443770 0.5997064 0.9709314 -3.2637816 15 O -2.0881060 -0.5551725 0.5409055 -0.5634315 -2.3926599 -0.7443770 0.5997064 -0.9709314 -3.2637816 16 O -2.0881060 0.5551725 -0.5409055 0.5634315 -2.3926599 -0.7443770 -0.5997064 -0.9709314 -3.2637816 17 O -2.0881060 -0.5551725 -0.5409055 -0.5634315 -2.3926599 0.7443770 -0.5997064 0.9709314 -3.2637816 18 O -2.0881060 0.5551725 0.5409055 0.5634315 -2.3926599 0.7443770 0.5997064 0.9709314 -3.2637816 19 O -2.0881060 -0.5551725 0.5409055 -0.5634315 -2.3926599 -0.7443770 0.5997064 -0.9709314 -3.2637816 20 O -2.0881060 0.5551725 -0.5409055 0.5634315 -2.3926599 -0.7443770 -0.5997064 -0.9709314 -3.2637816 21 O -3.1035535 -2.0057873 -0.4601046 -1.8354240 -3.5012937 -0.0777555 -0.4087382 0.1607941 -2.0009327 22 O -3.1035535 2.0057873 0.4601046 1.8354240 -3.5012937 -0.0777555 0.4087382 0.1607941 -2.0009327 23 O -3.1035535 -2.0057873 0.4601046 -1.8354240 -3.5012937 0.0777555 0.4087382 -0.1607941 -2.0009327 24 O -3.1035535 2.0057873 -0.4601046 1.8354240 -3.5012937 0.0777555 -0.4087382 -0.1607941 -2.0009327 25 Zn 2.7390612 0.0000000 -0.1189892 0.0000000 2.5897335 0.0000000 -0.0620506 0.0000000 2.7459222 26 Zn 2.7390612 0.0000000 0.1189892 0.0000000 2.5897335 0.0000000 0.0620506 0.0000000 2.7459222 27 Zn 2.7390612 0.0000000 -0.1189892 0.0000000 2.5897335 0.0000000 -0.0620506 0.0000000 2.7459222 28 Zn 2.7390612 0.0000000 0.1189892 0.0000000 2.5897335 0.0000000 0.0620506 0.0000000 2.7459222 29 Ta 5.7947248 0.0000000 0.7052072 0.0000000 6.9430358 0.0000000 -0.0032147 0.0000000 6.9687847 30 Ta 5.7947248 0.0000000 -0.7052072 0.0000000 6.9430358 0.0000000 0.0032147 0.0000000 6.9687847 31 Ta 5.7947248 0.0000000 0.7052072 0.0000000 6.9430358 0.0000000 -0.0032147 0.0000000 6.9687847 32 Ta 5.7947248 0.0000000 -0.7052072 0.0000000 6.9430358 0.0000000 0.0032147 0.0000000 6.9687847 33 Ta 8.5488920 0.0000000 0.0488852 0.0000000 6.7665844 0.0000000 -0.1825069 0.0000000 7.6703395 34 Ta 8.5488920 0.0000000 -0.0488852 0.0000000 6.7665844 0.0000000 0.1825069 0.0000000 7.6703395 35 Ta 8.5488920 0.0000000 0.0488852 0.0000000 6.7665844 0.0000000 -0.1825069 0.0000000 7.6703395 36 Ta 8.5488920 0.0000000 -0.0488852 0.0000000 6.7665844 0.0000000 0.1825069 0.0000000 7.6703395 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3033 Number of blocks in projector: 3033 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: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 666 / 666 (1) 154 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 245 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 369 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 369 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 369 Use standard eigh solver. Tree of FC basis block matrices: - (3033, 2991), data: False |-- (369, 363), data: True |-- (369, 363), data: True |-- (369, 363), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 245), data: True |-- (250, 244), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (666, 654), data: False |-- (666, 12), data: (666, 24) @ (24, 12) |-- (166, 154), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.193 Solver_block: 200 / 560 - Time: 1.103 Solver_block: 300 / 560 - Time: 0.974 Solver_block: 400 / 560 - Time: 1.110 Solver_block: 500 / 560 - Time: 1.237 Solver_block: 560 / 560 - Time: 0.987 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.384 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3033 Number of blocks in projector: 3033 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: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 666 / 666 (1) 154 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 245 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 369 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 369 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 369 Use standard eigh solver. Tree of FC basis block matrices: - (3033, 2991), data: False |-- (369, 363), data: True |-- (369, 363), data: True |-- (369, 363), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 245), data: True |-- (250, 244), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (666, 654), data: False |-- (666, 12), data: (666, 24) @ (24, 12) |-- (166, 154), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:43:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:43:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.703271580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.110193339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.065169320000000 Atomic positions (fractional): 1 O 0.76205066702842 0.78956172601998 0.42559030970764 15.999 2 O 0.26205066702842 0.71043827398002 0.57440969029236 15.999 3 O 0.73794933297158 0.71043827398002 0.92559030970764 15.999 4 O 0.23794933297158 0.78956172601998 0.07440969029236 15.999 5 O 0.23794933297158 0.21043827398001 0.57440969029236 15.999 6 O 0.73794933297158 0.28956172601998 0.42559030970764 15.999 7 O 0.26205066702842 0.28956172601998 0.07440969029236 15.999 8 O 0.76205066702842 0.21043827398001 0.92559030970764 15.999 9 O 0.76990748971541 0.87140301383660 0.90085505354648 15.999 10 O 0.26990748971541 0.62859698616340 0.09914494645352 15.999 11 O 0.73009251028459 0.62859698616340 0.40085505354648 15.999 12 O 0.23009251028459 0.87140301383660 0.59914494645352 15.999 13 O 0.78078387905457 0.46439574200536 0.42682395681254 15.999 14 O 0.28078387905457 0.03560425799464 0.57317604318746 15.999 15 O 0.71921612094543 0.03560425799464 0.92682395681254 15.999 16 O 0.21921612094543 0.46439574200536 0.07317604318746 15.999 17 O 0.21921612094543 0.53560425799464 0.57317604318746 15.999 18 O 0.71921612094543 0.96439574200536 0.42682395681254 15.999 19 O 0.28078387905457 0.96439574200536 0.07317604318746 15.999 20 O 0.78078387905457 0.53560425799464 0.92682395681254 15.999 21 O 0.76990748971541 0.12859698616340 0.40085505354648 15.999 22 O 0.26990748971541 0.37140301383660 0.59914494645352 15.999 23 O 0.73009251028459 0.37140301383660 0.90085505354648 15.999 24 O 0.23009251028459 0.12859698616340 0.09914494645352 15.999 25 Zn 0.00000000000000 0.10358542171249 0.75000000000000 65.380 26 Zn 0.50000000000000 0.39641457828751 0.25000000000000 65.380 27 Zn 0.00000000000000 0.89641457828751 0.25000000000000 65.380 28 Zn 0.50000000000000 0.60358542171249 0.75000000000000 65.380 29 Ta 0.50000000000000 0.94474394388263 0.75000000000000 180.948 30 Ta 0.00000000000000 0.55525605611737 0.25000000000000 180.948 31 Ta 0.50000000000000 0.05525605611737 0.25000000000000 180.948 32 Ta 0.00000000000000 0.44474394388263 0.75000000000000 180.948 33 Ta 0.00000000000000 0.21943286277457 0.25000000000000 180.948 34 Ta 0.50000000000000 0.28056713722543 0.75000000000000 180.948 35 Ta 0.00000000000000 0.78056713722543 0.75000000000000 180.948 36 Ta 0.50000000000000 0.71943286277457 0.25000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.406543160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.110193339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.130338640000000 Atomic positions (fractional): 1 O 0.38102533351421 0.78956172601998 0.21279515485382 15.999 > 1 2 O 0.88102533351421 0.78956172601998 0.21279515485382 15.999 > 1 3 O 0.38102533351421 0.78956172601998 0.71279515485382 15.999 > 1 4 O 0.88102533351421 0.78956172601998 0.71279515485382 15.999 > 1 5 O 0.13102533351421 0.71043827398002 0.28720484514618 15.999 > 5 6 O 0.63102533351421 0.71043827398002 0.28720484514618 15.999 > 5 7 O 0.13102533351421 0.71043827398002 0.78720484514618 15.999 > 5 8 O 0.63102533351421 0.71043827398002 0.78720484514618 15.999 > 5 9 O 0.36897466648579 0.71043827398002 0.46279515485382 15.999 > 9 10 O 0.86897466648579 0.71043827398002 0.46279515485382 15.999 > 9 11 O 0.36897466648579 0.71043827398002 0.96279515485382 15.999 > 9 12 O 0.86897466648579 0.71043827398002 0.96279515485382 15.999 > 9 13 O 0.11897466648579 0.78956172601998 0.03720484514618 15.999 > 13 14 O 0.61897466648579 0.78956172601998 0.03720484514618 15.999 > 13 15 O 0.11897466648579 0.78956172601998 0.53720484514618 15.999 > 13 16 O 0.61897466648579 0.78956172601998 0.53720484514618 15.999 > 13 17 O 0.11897466648579 0.21043827398001 0.28720484514618 15.999 > 17 18 O 0.61897466648579 0.21043827398001 0.28720484514618 15.999 > 17 19 O 0.11897466648579 0.21043827398001 0.78720484514618 15.999 > 17 20 O 0.61897466648579 0.21043827398001 0.78720484514618 15.999 > 17 21 O 0.36897466648579 0.28956172601998 0.21279515485382 15.999 > 21 22 O 0.86897466648579 0.28956172601998 0.21279515485382 15.999 > 21 23 O 0.36897466648579 0.28956172601998 0.71279515485382 15.999 > 21 24 O 0.86897466648579 0.28956172601998 0.71279515485382 15.999 > 21 25 O 0.13102533351421 0.28956172601998 0.03720484514618 15.999 > 25 26 O 0.63102533351421 0.28956172601998 0.03720484514618 15.999 > 25 27 O 0.13102533351421 0.28956172601998 0.53720484514618 15.999 > 25 28 O 0.63102533351421 0.28956172601998 0.53720484514618 15.999 > 25 29 O 0.38102533351421 0.21043827398001 0.46279515485382 15.999 > 29 30 O 0.88102533351421 0.21043827398001 0.46279515485382 15.999 > 29 31 O 0.38102533351421 0.21043827398001 0.96279515485382 15.999 > 29 32 O 0.88102533351421 0.21043827398001 0.96279515485382 15.999 > 29 33 O 0.38495374485770 0.87140301383660 0.45042752677324 15.999 > 33 34 O 0.88495374485770 0.87140301383660 0.45042752677324 15.999 > 33 35 O 0.38495374485770 0.87140301383660 0.95042752677324 15.999 > 33 36 O 0.88495374485770 0.87140301383660 0.95042752677324 15.999 > 33 37 O 0.13495374485770 0.62859698616340 0.04957247322676 15.999 > 37 38 O 0.63495374485770 0.62859698616340 0.04957247322676 15.999 > 37 39 O 0.13495374485770 0.62859698616340 0.54957247322676 15.999 > 37 40 O 0.63495374485770 0.62859698616340 0.54957247322676 15.999 > 37 41 O 0.36504625514230 0.62859698616340 0.20042752677324 15.999 > 41 42 O 0.86504625514230 0.62859698616340 0.20042752677324 15.999 > 41 43 O 0.36504625514230 0.62859698616340 0.70042752677324 15.999 > 41 44 O 0.86504625514230 0.62859698616340 0.70042752677324 15.999 > 41 45 O 0.11504625514230 0.87140301383660 0.29957247322676 15.999 > 45 46 O 0.61504625514230 0.87140301383660 0.29957247322676 15.999 > 45 47 O 0.11504625514230 0.87140301383660 0.79957247322676 15.999 > 45 48 O 0.61504625514230 0.87140301383660 0.79957247322676 15.999 > 45 49 O 0.39039193952728 0.46439574200536 0.21341197840627 15.999 > 49 50 O 0.89039193952728 0.46439574200536 0.21341197840627 15.999 > 49 51 O 0.39039193952728 0.46439574200536 0.71341197840627 15.999 > 49 52 O 0.89039193952728 0.46439574200536 0.71341197840627 15.999 > 49 53 O 0.14039193952728 0.03560425799464 0.28658802159373 15.999 > 53 54 O 0.64039193952728 0.03560425799464 0.28658802159373 15.999 > 53 55 O 0.14039193952728 0.03560425799464 0.78658802159373 15.999 > 53 56 O 0.64039193952728 0.03560425799464 0.78658802159373 15.999 > 53 57 O 0.35960806047272 0.03560425799464 0.46341197840627 15.999 > 57 58 O 0.85960806047272 0.03560425799464 0.46341197840627 15.999 > 57 59 O 0.35960806047272 0.03560425799464 0.96341197840627 15.999 > 57 60 O 0.85960806047272 0.03560425799464 0.96341197840627 15.999 > 57 61 O 0.10960806047272 0.46439574200536 0.03658802159373 15.999 > 61 62 O 0.60960806047272 0.46439574200536 0.03658802159373 15.999 > 61 63 O 0.10960806047272 0.46439574200536 0.53658802159373 15.999 > 61 64 O 0.60960806047272 0.46439574200536 0.53658802159373 15.999 > 61 65 O 0.10960806047272 0.53560425799464 0.28658802159373 15.999 > 65 66 O 0.60960806047272 0.53560425799464 0.28658802159373 15.999 > 65 67 O 0.10960806047272 0.53560425799464 0.78658802159373 15.999 > 65 68 O 0.60960806047272 0.53560425799464 0.78658802159373 15.999 > 65 69 O 0.35960806047272 0.96439574200536 0.21341197840627 15.999 > 69 70 O 0.85960806047272 0.96439574200536 0.21341197840627 15.999 > 69 71 O 0.35960806047272 0.96439574200536 0.71341197840627 15.999 > 69 72 O 0.85960806047272 0.96439574200536 0.71341197840627 15.999 > 69 73 O 0.14039193952728 0.96439574200536 0.03658802159373 15.999 > 73 74 O 0.64039193952728 0.96439574200536 0.03658802159373 15.999 > 73 75 O 0.14039193952728 0.96439574200536 0.53658802159373 15.999 > 73 76 O 0.64039193952728 0.96439574200536 0.53658802159373 15.999 > 73 77 O 0.39039193952728 0.53560425799464 0.46341197840627 15.999 > 77 78 O 0.89039193952728 0.53560425799464 0.46341197840627 15.999 > 77 79 O 0.39039193952728 0.53560425799464 0.96341197840627 15.999 > 77 80 O 0.89039193952728 0.53560425799464 0.96341197840627 15.999 > 77 81 O 0.38495374485770 0.12859698616340 0.20042752677324 15.999 > 81 82 O 0.88495374485770 0.12859698616340 0.20042752677324 15.999 > 81 83 O 0.38495374485770 0.12859698616340 0.70042752677324 15.999 > 81 84 O 0.88495374485770 0.12859698616340 0.70042752677324 15.999 > 81 85 O 0.13495374485770 0.37140301383660 0.29957247322676 15.999 > 85 86 O 0.63495374485770 0.37140301383660 0.29957247322676 15.999 > 85 87 O 0.13495374485770 0.37140301383660 0.79957247322676 15.999 > 85 88 O 0.63495374485770 0.37140301383660 0.79957247322676 15.999 > 85 89 O 0.36504625514230 0.37140301383660 0.45042752677324 15.999 > 89 90 O 0.86504625514230 0.37140301383660 0.45042752677324 15.999 > 89 91 O 0.36504625514230 0.37140301383660 0.95042752677324 15.999 > 89 92 O 0.86504625514230 0.37140301383660 0.95042752677324 15.999 > 89 93 O 0.11504625514230 0.12859698616340 0.04957247322676 15.999 > 93 94 O 0.61504625514230 0.12859698616340 0.04957247322676 15.999 > 93 95 O 0.11504625514230 0.12859698616340 0.54957247322676 15.999 > 93 96 O 0.61504625514230 0.12859698616340 0.54957247322676 15.999 > 93 97 Zn 0.00000000000000 0.10358542171249 0.37500000000000 65.380 > 97 98 Zn 0.50000000000000 0.10358542171249 0.37500000000000 65.380 > 97 99 Zn 0.00000000000000 0.10358542171249 0.87500000000000 65.380 > 97 100 Zn 0.50000000000000 0.10358542171249 0.87500000000000 65.380 > 97 101 Zn 0.25000000000000 0.39641457828751 0.12500000000000 65.380 > 101 102 Zn 0.75000000000000 0.39641457828751 0.12500000000000 65.380 > 101 103 Zn 0.25000000000000 0.39641457828751 0.62500000000000 65.380 > 101 104 Zn 0.75000000000000 0.39641457828751 0.62500000000000 65.380 > 101 105 Zn 0.00000000000000 0.89641457828751 0.12500000000000 65.380 > 105 106 Zn 0.50000000000000 0.89641457828751 0.12500000000000 65.380 > 105 107 Zn 0.00000000000000 0.89641457828751 0.62500000000000 65.380 > 105 108 Zn 0.50000000000000 0.89641457828751 0.62500000000000 65.380 > 105 109 Zn 0.25000000000000 0.60358542171249 0.37500000000000 65.380 > 109 110 Zn 0.75000000000000 0.60358542171249 0.37500000000000 65.380 > 109 111 Zn 0.25000000000000 0.60358542171249 0.87500000000000 65.380 > 109 112 Zn 0.75000000000000 0.60358542171249 0.87500000000000 65.380 > 109 113 Ta 0.25000000000000 0.94474394388263 0.37500000000000 180.948 > 113 114 Ta 0.75000000000000 0.94474394388263 0.37500000000000 180.948 > 113 115 Ta 0.25000000000000 0.94474394388263 0.87500000000000 180.948 > 113 116 Ta 0.75000000000000 0.94474394388263 0.87500000000000 180.948 > 113 117 Ta 0.00000000000000 0.55525605611737 0.12500000000000 180.948 > 117 118 Ta 0.50000000000000 0.55525605611737 0.12500000000000 180.948 > 117 119 Ta 0.00000000000000 0.55525605611737 0.62500000000000 180.948 > 117 120 Ta 0.50000000000000 0.55525605611737 0.62500000000000 180.948 > 117 121 Ta 0.25000000000000 0.05525605611737 0.12500000000000 180.948 > 121 122 Ta 0.75000000000000 0.05525605611737 0.12500000000000 180.948 > 121 123 Ta 0.25000000000000 0.05525605611737 0.62500000000000 180.948 > 121 124 Ta 0.75000000000000 0.05525605611737 0.62500000000000 180.948 > 121 125 Ta 0.00000000000000 0.44474394388263 0.37500000000000 180.948 > 125 126 Ta 0.50000000000000 0.44474394388263 0.37500000000000 180.948 > 125 127 Ta 0.00000000000000 0.44474394388263 0.87500000000000 180.948 > 125 128 Ta 0.50000000000000 0.44474394388263 0.87500000000000 180.948 > 125 129 Ta 0.00000000000000 0.21943286277457 0.12500000000000 180.948 > 129 130 Ta 0.50000000000000 0.21943286277457 0.12500000000000 180.948 > 129 131 Ta 0.00000000000000 0.21943286277457 0.62500000000000 180.948 > 129 132 Ta 0.50000000000000 0.21943286277457 0.62500000000000 180.948 > 129 133 Ta 0.25000000000000 0.28056713722543 0.37500000000000 180.948 > 133 134 Ta 0.75000000000000 0.28056713722543 0.37500000000000 180.948 > 133 135 Ta 0.25000000000000 0.28056713722543 0.87500000000000 180.948 > 133 136 Ta 0.75000000000000 0.28056713722543 0.87500000000000 180.948 > 133 137 Ta 0.00000000000000 0.78056713722543 0.37500000000000 180.948 > 137 138 Ta 0.50000000000000 0.78056713722543 0.37500000000000 180.948 > 137 139 Ta 0.00000000000000 0.78056713722543 0.87500000000000 180.948 > 137 140 Ta 0.50000000000000 0.78056713722543 0.87500000000000 180.948 > 137 141 Ta 0.25000000000000 0.71943286277457 0.12500000000000 180.948 > 141 142 Ta 0.75000000000000 0.71943286277457 0.12500000000000 180.948 > 141 143 Ta 0.25000000000000 0.71943286277457 0.62500000000000 180.948 > 141 144 Ta 0.75000000000000 0.71943286277457 0.62500000000000 180.948 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7656689 0.0000000 0.0000000 0.0000000 5.4403492 0.0000000 0.0000000 0.0000000 5.6974457 -------------------------- Born effective charges -------------------------- 1 O -3.3496795 -1.0266483 -1.9987152 -1.1317683 -2.2557233 -0.7657938 -1.7123105 -0.6521558 -3.4278089 2 O -3.3496795 1.0266483 1.9987152 1.1317683 -2.2557233 -0.7657938 1.7123105 -0.6521558 -3.4278089 3 O -3.3496795 -1.0266483 1.9987152 -1.1317683 -2.2557233 0.7657938 1.7123105 0.6521558 -3.4278089 4 O -3.3496795 1.0266483 -1.9987152 1.1317683 -2.2557233 0.7657938 -1.7123105 0.6521558 -3.4278089 5 O -3.3496795 -1.0266483 -1.9987152 -1.1317683 -2.2557233 -0.7657938 -1.7123105 -0.6521558 -3.4278089 6 O -3.3496795 1.0266483 1.9987152 1.1317683 -2.2557233 -0.7657938 1.7123105 -0.6521558 -3.4278089 7 O -3.3496795 -1.0266483 1.9987152 -1.1317683 -2.2557233 0.7657938 1.7123105 0.6521558 -3.4278089 8 O -3.3496795 1.0266483 -1.9987152 1.1317683 -2.2557233 0.7657938 -1.7123105 0.6521558 -3.4278089 9 O -3.1035535 2.0057873 -0.4601046 1.8354240 -3.5012937 0.0777555 -0.4087382 -0.1607941 -2.0009327 10 O -3.1035535 -2.0057873 0.4601046 -1.8354240 -3.5012937 0.0777555 0.4087382 -0.1607941 -2.0009327 11 O -3.1035535 2.0057873 0.4601046 1.8354240 -3.5012937 -0.0777555 0.4087382 0.1607941 -2.0009327 12 O -3.1035535 -2.0057873 -0.4601046 -1.8354240 -3.5012937 -0.0777555 -0.4087382 0.1607941 -2.0009327 13 O -2.0881060 -0.5551725 -0.5409055 -0.5634315 -2.3926599 0.7443770 -0.5997064 0.9709314 -3.2637816 14 O -2.0881060 0.5551725 0.5409055 0.5634315 -2.3926599 0.7443770 0.5997064 0.9709314 -3.2637816 15 O -2.0881060 -0.5551725 0.5409055 -0.5634315 -2.3926599 -0.7443770 0.5997064 -0.9709314 -3.2637816 16 O -2.0881060 0.5551725 -0.5409055 0.5634315 -2.3926599 -0.7443770 -0.5997064 -0.9709314 -3.2637816 17 O -2.0881060 -0.5551725 -0.5409055 -0.5634315 -2.3926599 0.7443770 -0.5997064 0.9709314 -3.2637816 18 O -2.0881060 0.5551725 0.5409055 0.5634315 -2.3926599 0.7443770 0.5997064 0.9709314 -3.2637816 19 O -2.0881060 -0.5551725 0.5409055 -0.5634315 -2.3926599 -0.7443770 0.5997064 -0.9709314 -3.2637816 20 O -2.0881060 0.5551725 -0.5409055 0.5634315 -2.3926599 -0.7443770 -0.5997064 -0.9709314 -3.2637816 21 O -3.1035535 -2.0057873 -0.4601046 -1.8354240 -3.5012937 -0.0777555 -0.4087382 0.1607941 -2.0009327 22 O -3.1035535 2.0057873 0.4601046 1.8354240 -3.5012937 -0.0777555 0.4087382 0.1607941 -2.0009327 23 O -3.1035535 -2.0057873 0.4601046 -1.8354240 -3.5012937 0.0777555 0.4087382 -0.1607941 -2.0009327 24 O -3.1035535 2.0057873 -0.4601046 1.8354240 -3.5012937 0.0777555 -0.4087382 -0.1607941 -2.0009327 25 Zn 2.7390612 0.0000000 -0.1189892 0.0000000 2.5897335 0.0000000 -0.0620506 0.0000000 2.7459222 26 Zn 2.7390612 0.0000000 0.1189892 0.0000000 2.5897335 0.0000000 0.0620506 0.0000000 2.7459222 27 Zn 2.7390612 0.0000000 -0.1189892 0.0000000 2.5897335 0.0000000 -0.0620506 0.0000000 2.7459222 28 Zn 2.7390612 0.0000000 0.1189892 0.0000000 2.5897335 0.0000000 0.0620506 0.0000000 2.7459222 29 Ta 5.7947248 0.0000000 0.7052072 0.0000000 6.9430358 0.0000000 -0.0032147 0.0000000 6.9687847 30 Ta 5.7947248 0.0000000 -0.7052072 0.0000000 6.9430358 0.0000000 0.0032147 0.0000000 6.9687847 31 Ta 5.7947248 0.0000000 0.7052072 0.0000000 6.9430358 0.0000000 -0.0032147 0.0000000 6.9687847 32 Ta 5.7947248 0.0000000 -0.7052072 0.0000000 6.9430358 0.0000000 0.0032147 0.0000000 6.9687847 33 Ta 8.5488920 0.0000000 0.0488852 0.0000000 6.7665844 0.0000000 -0.1825069 0.0000000 7.6703395 34 Ta 8.5488920 0.0000000 -0.0488852 0.0000000 6.7665844 0.0000000 0.1825069 0.0000000 7.6703395 35 Ta 8.5488920 0.0000000 0.0488852 0.0000000 6.7665844 0.0000000 -0.1825069 0.0000000 7.6703395 36 Ta 8.5488920 0.0000000 -0.0488852 0.0000000 6.7665844 0.0000000 0.1825069 0.0000000 7.6703395 ---------------------------------------------------------------------------- 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[ 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[ 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] Computing fc3[ 113, 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[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000006 (xyx) -0.00000006 (xyx) -0.00000006 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (zx) -0.00000003 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:44:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:44:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.703271580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.110193339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.065169320000000 Atomic positions (fractional): 1 O 0.76205066702842 0.78956172601998 0.42559030970764 15.999 2 O 0.26205066702842 0.71043827398002 0.57440969029236 15.999 3 O 0.73794933297158 0.71043827398002 0.92559030970764 15.999 4 O 0.23794933297158 0.78956172601998 0.07440969029236 15.999 5 O 0.23794933297158 0.21043827398001 0.57440969029236 15.999 6 O 0.73794933297158 0.28956172601998 0.42559030970764 15.999 7 O 0.26205066702842 0.28956172601998 0.07440969029236 15.999 8 O 0.76205066702842 0.21043827398001 0.92559030970764 15.999 9 O 0.76990748971541 0.87140301383660 0.90085505354648 15.999 10 O 0.26990748971541 0.62859698616340 0.09914494645352 15.999 11 O 0.73009251028459 0.62859698616340 0.40085505354648 15.999 12 O 0.23009251028459 0.87140301383660 0.59914494645352 15.999 13 O 0.78078387905457 0.46439574200536 0.42682395681254 15.999 14 O 0.28078387905457 0.03560425799464 0.57317604318746 15.999 15 O 0.71921612094543 0.03560425799464 0.92682395681254 15.999 16 O 0.21921612094543 0.46439574200536 0.07317604318746 15.999 17 O 0.21921612094543 0.53560425799464 0.57317604318746 15.999 18 O 0.71921612094543 0.96439574200536 0.42682395681254 15.999 19 O 0.28078387905457 0.96439574200536 0.07317604318746 15.999 20 O 0.78078387905457 0.53560425799464 0.92682395681254 15.999 21 O 0.76990748971541 0.12859698616340 0.40085505354648 15.999 22 O 0.26990748971541 0.37140301383660 0.59914494645352 15.999 23 O 0.73009251028459 0.37140301383660 0.90085505354648 15.999 24 O 0.23009251028459 0.12859698616340 0.09914494645352 15.999 25 Zn 0.00000000000000 0.10358542171249 0.75000000000000 65.380 26 Zn 0.50000000000000 0.39641457828751 0.25000000000000 65.380 27 Zn 0.00000000000000 0.89641457828751 0.25000000000000 65.380 28 Zn 0.50000000000000 0.60358542171249 0.75000000000000 65.380 29 Ta 0.50000000000000 0.94474394388263 0.75000000000000 180.948 30 Ta 0.00000000000000 0.55525605611737 0.25000000000000 180.948 31 Ta 0.50000000000000 0.05525605611737 0.25000000000000 180.948 32 Ta 0.00000000000000 0.44474394388263 0.75000000000000 180.948 33 Ta 0.00000000000000 0.21943286277457 0.25000000000000 180.948 34 Ta 0.50000000000000 0.28056713722543 0.75000000000000 180.948 35 Ta 0.00000000000000 0.78056713722543 0.75000000000000 180.948 36 Ta 0.50000000000000 0.71943286277457 0.25000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.406543160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.110193339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.130338640000000 Atomic positions (fractional): 1 O 0.38102533351421 0.78956172601998 0.21279515485382 15.999 > 1 2 O 0.88102533351421 0.78956172601998 0.21279515485382 15.999 > 1 3 O 0.38102533351421 0.78956172601998 0.71279515485382 15.999 > 1 4 O 0.88102533351421 0.78956172601998 0.71279515485382 15.999 > 1 5 O 0.13102533351421 0.71043827398002 0.28720484514618 15.999 > 5 6 O 0.63102533351421 0.71043827398002 0.28720484514618 15.999 > 5 7 O 0.13102533351421 0.71043827398002 0.78720484514618 15.999 > 5 8 O 0.63102533351421 0.71043827398002 0.78720484514618 15.999 > 5 9 O 0.36897466648579 0.71043827398002 0.46279515485382 15.999 > 9 10 O 0.86897466648579 0.71043827398002 0.46279515485382 15.999 > 9 11 O 0.36897466648579 0.71043827398002 0.96279515485382 15.999 > 9 12 O 0.86897466648579 0.71043827398002 0.96279515485382 15.999 > 9 13 O 0.11897466648579 0.78956172601998 0.03720484514618 15.999 > 13 14 O 0.61897466648579 0.78956172601998 0.03720484514618 15.999 > 13 15 O 0.11897466648579 0.78956172601998 0.53720484514618 15.999 > 13 16 O 0.61897466648579 0.78956172601998 0.53720484514618 15.999 > 13 17 O 0.11897466648579 0.21043827398001 0.28720484514618 15.999 > 17 18 O 0.61897466648579 0.21043827398001 0.28720484514618 15.999 > 17 19 O 0.11897466648579 0.21043827398001 0.78720484514618 15.999 > 17 20 O 0.61897466648579 0.21043827398001 0.78720484514618 15.999 > 17 21 O 0.36897466648579 0.28956172601998 0.21279515485382 15.999 > 21 22 O 0.86897466648579 0.28956172601998 0.21279515485382 15.999 > 21 23 O 0.36897466648579 0.28956172601998 0.71279515485382 15.999 > 21 24 O 0.86897466648579 0.28956172601998 0.71279515485382 15.999 > 21 25 O 0.13102533351421 0.28956172601998 0.03720484514618 15.999 > 25 26 O 0.63102533351421 0.28956172601998 0.03720484514618 15.999 > 25 27 O 0.13102533351421 0.28956172601998 0.53720484514618 15.999 > 25 28 O 0.63102533351421 0.28956172601998 0.53720484514618 15.999 > 25 29 O 0.38102533351421 0.21043827398001 0.46279515485382 15.999 > 29 30 O 0.88102533351421 0.21043827398001 0.46279515485382 15.999 > 29 31 O 0.38102533351421 0.21043827398001 0.96279515485382 15.999 > 29 32 O 0.88102533351421 0.21043827398001 0.96279515485382 15.999 > 29 33 O 0.38495374485770 0.87140301383660 0.45042752677324 15.999 > 33 34 O 0.88495374485770 0.87140301383660 0.45042752677324 15.999 > 33 35 O 0.38495374485770 0.87140301383660 0.95042752677324 15.999 > 33 36 O 0.88495374485770 0.87140301383660 0.95042752677324 15.999 > 33 37 O 0.13495374485770 0.62859698616340 0.04957247322676 15.999 > 37 38 O 0.63495374485770 0.62859698616340 0.04957247322676 15.999 > 37 39 O 0.13495374485770 0.62859698616340 0.54957247322676 15.999 > 37 40 O 0.63495374485770 0.62859698616340 0.54957247322676 15.999 > 37 41 O 0.36504625514230 0.62859698616340 0.20042752677324 15.999 > 41 42 O 0.86504625514230 0.62859698616340 0.20042752677324 15.999 > 41 43 O 0.36504625514230 0.62859698616340 0.70042752677324 15.999 > 41 44 O 0.86504625514230 0.62859698616340 0.70042752677324 15.999 > 41 45 O 0.11504625514230 0.87140301383660 0.29957247322676 15.999 > 45 46 O 0.61504625514230 0.87140301383660 0.29957247322676 15.999 > 45 47 O 0.11504625514230 0.87140301383660 0.79957247322676 15.999 > 45 48 O 0.61504625514230 0.87140301383660 0.79957247322676 15.999 > 45 49 O 0.39039193952728 0.46439574200536 0.21341197840627 15.999 > 49 50 O 0.89039193952728 0.46439574200536 0.21341197840627 15.999 > 49 51 O 0.39039193952728 0.46439574200536 0.71341197840627 15.999 > 49 52 O 0.89039193952728 0.46439574200536 0.71341197840627 15.999 > 49 53 O 0.14039193952728 0.03560425799464 0.28658802159373 15.999 > 53 54 O 0.64039193952728 0.03560425799464 0.28658802159373 15.999 > 53 55 O 0.14039193952728 0.03560425799464 0.78658802159373 15.999 > 53 56 O 0.64039193952728 0.03560425799464 0.78658802159373 15.999 > 53 57 O 0.35960806047272 0.03560425799464 0.46341197840627 15.999 > 57 58 O 0.85960806047272 0.03560425799464 0.46341197840627 15.999 > 57 59 O 0.35960806047272 0.03560425799464 0.96341197840627 15.999 > 57 60 O 0.85960806047272 0.03560425799464 0.96341197840627 15.999 > 57 61 O 0.10960806047272 0.46439574200536 0.03658802159373 15.999 > 61 62 O 0.60960806047272 0.46439574200536 0.03658802159373 15.999 > 61 63 O 0.10960806047272 0.46439574200536 0.53658802159373 15.999 > 61 64 O 0.60960806047272 0.46439574200536 0.53658802159373 15.999 > 61 65 O 0.10960806047272 0.53560425799464 0.28658802159373 15.999 > 65 66 O 0.60960806047272 0.53560425799464 0.28658802159373 15.999 > 65 67 O 0.10960806047272 0.53560425799464 0.78658802159373 15.999 > 65 68 O 0.60960806047272 0.53560425799464 0.78658802159373 15.999 > 65 69 O 0.35960806047272 0.96439574200536 0.21341197840627 15.999 > 69 70 O 0.85960806047272 0.96439574200536 0.21341197840627 15.999 > 69 71 O 0.35960806047272 0.96439574200536 0.71341197840627 15.999 > 69 72 O 0.85960806047272 0.96439574200536 0.71341197840627 15.999 > 69 73 O 0.14039193952728 0.96439574200536 0.03658802159373 15.999 > 73 74 O 0.64039193952728 0.96439574200536 0.03658802159373 15.999 > 73 75 O 0.14039193952728 0.96439574200536 0.53658802159373 15.999 > 73 76 O 0.64039193952728 0.96439574200536 0.53658802159373 15.999 > 73 77 O 0.39039193952728 0.53560425799464 0.46341197840627 15.999 > 77 78 O 0.89039193952728 0.53560425799464 0.46341197840627 15.999 > 77 79 O 0.39039193952728 0.53560425799464 0.96341197840627 15.999 > 77 80 O 0.89039193952728 0.53560425799464 0.96341197840627 15.999 > 77 81 O 0.38495374485770 0.12859698616340 0.20042752677324 15.999 > 81 82 O 0.88495374485770 0.12859698616340 0.20042752677324 15.999 > 81 83 O 0.38495374485770 0.12859698616340 0.70042752677324 15.999 > 81 84 O 0.88495374485770 0.12859698616340 0.70042752677324 15.999 > 81 85 O 0.13495374485770 0.37140301383660 0.29957247322676 15.999 > 85 86 O 0.63495374485770 0.37140301383660 0.29957247322676 15.999 > 85 87 O 0.13495374485770 0.37140301383660 0.79957247322676 15.999 > 85 88 O 0.63495374485770 0.37140301383660 0.79957247322676 15.999 > 85 89 O 0.36504625514230 0.37140301383660 0.45042752677324 15.999 > 89 90 O 0.86504625514230 0.37140301383660 0.45042752677324 15.999 > 89 91 O 0.36504625514230 0.37140301383660 0.95042752677324 15.999 > 89 92 O 0.86504625514230 0.37140301383660 0.95042752677324 15.999 > 89 93 O 0.11504625514230 0.12859698616340 0.04957247322676 15.999 > 93 94 O 0.61504625514230 0.12859698616340 0.04957247322676 15.999 > 93 95 O 0.11504625514230 0.12859698616340 0.54957247322676 15.999 > 93 96 O 0.61504625514230 0.12859698616340 0.54957247322676 15.999 > 93 97 Zn 0.00000000000000 0.10358542171249 0.37500000000000 65.380 > 97 98 Zn 0.50000000000000 0.10358542171249 0.37500000000000 65.380 > 97 99 Zn 0.00000000000000 0.10358542171249 0.87500000000000 65.380 > 97 100 Zn 0.50000000000000 0.10358542171249 0.87500000000000 65.380 > 97 101 Zn 0.25000000000000 0.39641457828751 0.12500000000000 65.380 > 101 102 Zn 0.75000000000000 0.39641457828751 0.12500000000000 65.380 > 101 103 Zn 0.25000000000000 0.39641457828751 0.62500000000000 65.380 > 101 104 Zn 0.75000000000000 0.39641457828751 0.62500000000000 65.380 > 101 105 Zn 0.00000000000000 0.89641457828751 0.12500000000000 65.380 > 105 106 Zn 0.50000000000000 0.89641457828751 0.12500000000000 65.380 > 105 107 Zn 0.00000000000000 0.89641457828751 0.62500000000000 65.380 > 105 108 Zn 0.50000000000000 0.89641457828751 0.62500000000000 65.380 > 105 109 Zn 0.25000000000000 0.60358542171249 0.37500000000000 65.380 > 109 110 Zn 0.75000000000000 0.60358542171249 0.37500000000000 65.380 > 109 111 Zn 0.25000000000000 0.60358542171249 0.87500000000000 65.380 > 109 112 Zn 0.75000000000000 0.60358542171249 0.87500000000000 65.380 > 109 113 Ta 0.25000000000000 0.94474394388263 0.37500000000000 180.948 > 113 114 Ta 0.75000000000000 0.94474394388263 0.37500000000000 180.948 > 113 115 Ta 0.25000000000000 0.94474394388263 0.87500000000000 180.948 > 113 116 Ta 0.75000000000000 0.94474394388263 0.87500000000000 180.948 > 113 117 Ta 0.00000000000000 0.55525605611737 0.12500000000000 180.948 > 117 118 Ta 0.50000000000000 0.55525605611737 0.12500000000000 180.948 > 117 119 Ta 0.00000000000000 0.55525605611737 0.62500000000000 180.948 > 117 120 Ta 0.50000000000000 0.55525605611737 0.62500000000000 180.948 > 117 121 Ta 0.25000000000000 0.05525605611737 0.12500000000000 180.948 > 121 122 Ta 0.75000000000000 0.05525605611737 0.12500000000000 180.948 > 121 123 Ta 0.25000000000000 0.05525605611737 0.62500000000000 180.948 > 121 124 Ta 0.75000000000000 0.05525605611737 0.62500000000000 180.948 > 121 125 Ta 0.00000000000000 0.44474394388263 0.37500000000000 180.948 > 125 126 Ta 0.50000000000000 0.44474394388263 0.37500000000000 180.948 > 125 127 Ta 0.00000000000000 0.44474394388263 0.87500000000000 180.948 > 125 128 Ta 0.50000000000000 0.44474394388263 0.87500000000000 180.948 > 125 129 Ta 0.00000000000000 0.21943286277457 0.12500000000000 180.948 > 129 130 Ta 0.50000000000000 0.21943286277457 0.12500000000000 180.948 > 129 131 Ta 0.00000000000000 0.21943286277457 0.62500000000000 180.948 > 129 132 Ta 0.50000000000000 0.21943286277457 0.62500000000000 180.948 > 129 133 Ta 0.25000000000000 0.28056713722543 0.37500000000000 180.948 > 133 134 Ta 0.75000000000000 0.28056713722543 0.37500000000000 180.948 > 133 135 Ta 0.25000000000000 0.28056713722543 0.87500000000000 180.948 > 133 136 Ta 0.75000000000000 0.28056713722543 0.87500000000000 180.948 > 133 137 Ta 0.00000000000000 0.78056713722543 0.37500000000000 180.948 > 137 138 Ta 0.50000000000000 0.78056713722543 0.37500000000000 180.948 > 137 139 Ta 0.00000000000000 0.78056713722543 0.87500000000000 180.948 > 137 140 Ta 0.50000000000000 0.78056713722543 0.87500000000000 180.948 > 137 141 Ta 0.25000000000000 0.71943286277457 0.12500000000000 180.948 > 141 142 Ta 0.75000000000000 0.71943286277457 0.12500000000000 180.948 > 141 143 Ta 0.25000000000000 0.71943286277457 0.62500000000000 180.948 > 141 144 Ta 0.75000000000000 0.71943286277457 0.62500000000000 180.948 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7656689 0.0000000 0.0000000 0.0000000 5.4403492 0.0000000 0.0000000 0.0000000 5.6974457 -------------------------- Born effective charges -------------------------- 1 O -3.3496795 -1.0266483 -1.9987152 -1.1317683 -2.2557233 -0.7657938 -1.7123105 -0.6521558 -3.4278089 2 O -3.3496795 1.0266483 1.9987152 1.1317683 -2.2557233 -0.7657938 1.7123105 -0.6521558 -3.4278089 3 O -3.3496795 -1.0266483 1.9987152 -1.1317683 -2.2557233 0.7657938 1.7123105 0.6521558 -3.4278089 4 O -3.3496795 1.0266483 -1.9987152 1.1317683 -2.2557233 0.7657938 -1.7123105 0.6521558 -3.4278089 5 O -3.3496795 -1.0266483 -1.9987152 -1.1317683 -2.2557233 -0.7657938 -1.7123105 -0.6521558 -3.4278089 6 O -3.3496795 1.0266483 1.9987152 1.1317683 -2.2557233 -0.7657938 1.7123105 -0.6521558 -3.4278089 7 O -3.3496795 -1.0266483 1.9987152 -1.1317683 -2.2557233 0.7657938 1.7123105 0.6521558 -3.4278089 8 O -3.3496795 1.0266483 -1.9987152 1.1317683 -2.2557233 0.7657938 -1.7123105 0.6521558 -3.4278089 9 O -3.1035535 2.0057873 -0.4601046 1.8354240 -3.5012937 0.0777555 -0.4087382 -0.1607941 -2.0009327 10 O -3.1035535 -2.0057873 0.4601046 -1.8354240 -3.5012937 0.0777555 0.4087382 -0.1607941 -2.0009327 11 O -3.1035535 2.0057873 0.4601046 1.8354240 -3.5012937 -0.0777555 0.4087382 0.1607941 -2.0009327 12 O -3.1035535 -2.0057873 -0.4601046 -1.8354240 -3.5012937 -0.0777555 -0.4087382 0.1607941 -2.0009327 13 O -2.0881060 -0.5551725 -0.5409055 -0.5634315 -2.3926599 0.7443770 -0.5997064 0.9709314 -3.2637816 14 O -2.0881060 0.5551725 0.5409055 0.5634315 -2.3926599 0.7443770 0.5997064 0.9709314 -3.2637816 15 O -2.0881060 -0.5551725 0.5409055 -0.5634315 -2.3926599 -0.7443770 0.5997064 -0.9709314 -3.2637816 16 O -2.0881060 0.5551725 -0.5409055 0.5634315 -2.3926599 -0.7443770 -0.5997064 -0.9709314 -3.2637816 17 O -2.0881060 -0.5551725 -0.5409055 -0.5634315 -2.3926599 0.7443770 -0.5997064 0.9709314 -3.2637816 18 O -2.0881060 0.5551725 0.5409055 0.5634315 -2.3926599 0.7443770 0.5997064 0.9709314 -3.2637816 19 O -2.0881060 -0.5551725 0.5409055 -0.5634315 -2.3926599 -0.7443770 0.5997064 -0.9709314 -3.2637816 20 O -2.0881060 0.5551725 -0.5409055 0.5634315 -2.3926599 -0.7443770 -0.5997064 -0.9709314 -3.2637816 21 O -3.1035535 -2.0057873 -0.4601046 -1.8354240 -3.5012937 -0.0777555 -0.4087382 0.1607941 -2.0009327 22 O -3.1035535 2.0057873 0.4601046 1.8354240 -3.5012937 -0.0777555 0.4087382 0.1607941 -2.0009327 23 O -3.1035535 -2.0057873 0.4601046 -1.8354240 -3.5012937 0.0777555 0.4087382 -0.1607941 -2.0009327 24 O -3.1035535 2.0057873 -0.4601046 1.8354240 -3.5012937 0.0777555 -0.4087382 -0.1607941 -2.0009327 25 Zn 2.7390612 0.0000000 -0.1189892 0.0000000 2.5897335 0.0000000 -0.0620506 0.0000000 2.7459222 26 Zn 2.7390612 0.0000000 0.1189892 0.0000000 2.5897335 0.0000000 0.0620506 0.0000000 2.7459222 27 Zn 2.7390612 0.0000000 -0.1189892 0.0000000 2.5897335 0.0000000 -0.0620506 0.0000000 2.7459222 28 Zn 2.7390612 0.0000000 0.1189892 0.0000000 2.5897335 0.0000000 0.0620506 0.0000000 2.7459222 29 Ta 5.7947248 0.0000000 0.7052072 0.0000000 6.9430358 0.0000000 -0.0032147 0.0000000 6.9687847 30 Ta 5.7947248 0.0000000 -0.7052072 0.0000000 6.9430358 0.0000000 0.0032147 0.0000000 6.9687847 31 Ta 5.7947248 0.0000000 0.7052072 0.0000000 6.9430358 0.0000000 -0.0032147 0.0000000 6.9687847 32 Ta 5.7947248 0.0000000 -0.7052072 0.0000000 6.9430358 0.0000000 0.0032147 0.0000000 6.9687847 33 Ta 8.5488920 0.0000000 0.0488852 0.0000000 6.7665844 0.0000000 -0.1825069 0.0000000 7.6703395 34 Ta 8.5488920 0.0000000 -0.0488852 0.0000000 6.7665844 0.0000000 0.1825069 0.0000000 7.6703395 35 Ta 8.5488920 0.0000000 0.0488852 0.0000000 6.7665844 0.0000000 -0.1825069 0.0000000 7.6703395 36 Ta 8.5488920 0.0000000 -0.0488852 0.0000000 6.7665844 0.0000000 0.1825069 0.0000000 7.6703395 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (xyx) -0.00000006 (xyx) -0.00000006 (xxy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 3 10 ] 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: 0.56, Number of G-points: 295, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72 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 1.063 ( 0.000 0.000 0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.404 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.138 ( 0.000 0.000 0.000) 0.000 4.201 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.556 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.141 ( 0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.441 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 6.223 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.598 ( 0.000 0.000 0.000) 0.000 6.841 ( 0.000 0.000 0.000) 0.000 7.387 ( 0.000 0.000 0.000) 0.000 7.401 ( 0.000 0.000 0.000) 0.000 7.473 ( 0.000 0.000 0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000 7.640 ( 0.000 0.000 0.000) 0.000 7.824 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.162 ( 0.000 0.000 0.000) 0.000 8.219 ( 0.000 0.000 0.000) 0.000 8.555 ( 0.000 0.000 0.000) 0.000 8.599 ( 0.000 0.000 0.000) 0.000 8.808 ( 0.000 0.000 0.000) 0.000 8.867 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.172 ( 0.000 0.000 0.000) 0.000 10.258 ( 0.000 0.000 0.000) 0.000 10.461 ( 0.000 0.000 0.000) 0.000 10.515 ( 0.000 0.000 0.000) 0.000 10.724 ( 0.000 0.000 0.000) 0.000 10.754 ( 0.000 0.000 0.000) 0.000 10.836 ( 0.000 0.000 0.000) 0.000 11.033 ( 0.000 0.000 0.000) 0.000 11.371 ( 0.000 0.000 0.000) 0.000 11.373 ( 0.000 0.000 0.000) 0.000 11.663 ( 0.000 0.000 0.000) 0.000 11.693 ( 0.000 0.000 0.000) 0.000 11.941 ( 0.000 0.000 0.000) 0.000 12.023 ( 0.000 0.000 0.000) 0.000 12.078 ( 0.000 0.000 0.000) 0.000 12.202 ( 0.000 0.000 0.000) 0.000 12.550 ( 0.000 0.000 0.000) 0.000 12.638 ( 0.000 0.000 0.000) 0.000 13.263 ( 0.000 0.000 0.000) 0.000 13.722 ( 0.000 0.000 0.000) 0.000 13.779 ( 0.000 0.000 0.000) 0.000 13.830 ( 0.000 0.000 0.000) 0.000 13.999 ( 0.000 0.000 0.000) 0.000 14.028 ( 0.000 0.000 0.000) 0.000 14.297 ( 0.000 0.000 0.000) 0.000 15.129 ( 0.000 0.000 0.000) 0.000 15.343 ( 0.000 0.000 0.000) 0.000 15.506 ( 0.000 0.000 0.000) 0.000 15.854 ( 0.000 0.000 0.000) 0.000 15.903 ( 0.000 0.000 0.000) 0.000 15.937 ( 0.000 0.000 0.000) 0.000 16.100 ( 0.000 0.000 0.000) 0.000 16.872 ( 0.000 0.000 0.000) 0.000 17.740 ( 0.000 0.000 0.000) 0.000 17.836 ( 0.000 0.000 0.000) 0.000 17.852 ( 0.000 0.000 0.000) 0.000 18.029 ( 0.000 0.000 0.000) 0.000 18.057 ( 0.000 0.000 0.000) 0.000 18.222 ( 0.000 0.000 0.000) 0.000 18.459 ( 0.000 0.000 0.000) 0.000 18.548 ( 0.000 0.000 0.000) 0.000 18.906 ( 0.000 0.000 0.000) 0.000 18.938 ( 0.000 0.000 0.000) 0.000 19.988 ( 0.000 0.000 0.000) 0.000 19.991 ( 0.000 0.000 0.000) 0.000 21.027 ( 0.000 0.000 0.000) 0.000 21.101 ( 0.000 0.000 0.000) 0.000 21.496 ( 0.000 0.000 0.000) 0.000 22.889 ( 0.000 0.000 0.000) 0.000 23.823 ( 0.000 0.000 0.000) 0.000 24.248 ( 0.000 0.000 0.000) 0.000 24.368 ( 0.000 0.000 0.000) 0.000 26.266 ( 0.000 0.000 0.000) 0.000 26.282 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 23.849 0.000 0.000) 23.849 0.603 ( 30.264 0.000 0.000) 30.264 1.017 ( 51.291 0.000 0.000) 51.291 1.219 ( 13.182 0.000 0.000) 13.182 1.478 ( 9.263 0.000 0.000) 9.263 1.528 ( 11.102 0.000 0.000) 11.102 1.571 ( 10.881 0.000 0.000) 10.881 2.365 ( 10.925 0.000 0.000) 10.925 2.394 ( 6.806 0.000 0.000) 6.806 2.663 ( -0.074 0.000 0.000) 0.074 2.675 ( -0.571 0.000 0.000) 0.571 3.046 ( 3.612 0.000 0.000) 3.612 3.067 ( 9.175 0.000 0.000) 9.175 3.070 ( 6.539 0.000 0.000) 6.539 3.632 ( -1.987 0.000 0.000) 1.987 4.080 ( 1.681 0.000 0.000) 1.681 4.135 ( -0.986 0.000 0.000) 0.986 4.185 ( -3.783 0.000 0.000) 3.783 4.253 ( 4.765 0.000 0.000) 4.765 4.345 ( -6.141 0.000 0.000) 6.141 4.465 ( -8.863 0.000 0.000) 8.863 4.615 ( 0.710 0.000 0.000) 0.710 4.682 ( 2.086 0.000 0.000) 2.086 4.690 ( 9.636 0.000 0.000) 9.636 4.828 ( 9.289 0.000 0.000) 9.289 4.893 ( 11.000 0.000 0.000) 11.000 5.007 ( -8.158 0.000 0.000) 8.158 5.207 ( 5.458 0.000 0.000) 5.458 5.258 ( 2.316 0.000 0.000) 2.316 5.386 ( -3.301 0.000 0.000) 3.301 5.474 ( 3.592 0.000 0.000) 3.592 5.580 ( -1.778 0.000 0.000) 1.778 5.945 ( 1.825 0.000 0.000) 1.825 5.946 ( -6.526 0.000 0.000) 6.526 6.237 ( 0.677 0.000 0.000) 0.677 6.393 ( 9.200 0.000 0.000) 9.200 6.471 ( -2.074 0.000 0.000) 2.074 6.633 ( 3.367 0.000 0.000) 3.367 6.813 ( -2.635 0.000 0.000) 2.635 7.259 ( -10.604 0.000 0.000) 10.604 7.415 ( 2.703 0.000 0.000) 2.703 7.467 ( -0.686 0.000 0.000) 0.686 7.582 ( 3.687 0.000 0.000) 3.687 7.660 ( -0.099 0.000 0.000) 0.099 7.817 ( 7.333 0.000 0.000) 7.333 7.852 ( 3.316 0.000 0.000) 3.316 8.058 ( -5.633 0.000 0.000) 5.633 8.136 ( -7.270 0.000 0.000) 7.270 8.489 ( -6.439 0.000 0.000) 6.439 8.596 ( 0.383 0.000 0.000) 0.383 8.776 ( -3.051 0.000 0.000) 3.051 8.932 ( 5.694 0.000 0.000) 5.694 9.033 ( 5.431 0.000 0.000) 5.431 9.998 ( -13.185 0.000 0.000) 13.185 10.035 ( -0.374 0.000 0.000) 0.374 10.170 ( -7.862 0.000 0.000) 7.862 10.524 ( 1.742 0.000 0.000) 1.742 10.615 ( -9.709 0.000 0.000) 9.709 10.700 ( -1.005 0.000 0.000) 1.005 10.746 ( -0.732 0.000 0.000) 0.732 10.758 ( -7.540 0.000 0.000) 7.540 11.078 ( 3.974 0.000 0.000) 3.974 11.312 ( -4.001 0.000 0.000) 4.001 11.332 ( -3.046 0.000 0.000) 3.046 11.797 ( 7.236 0.000 0.000) 7.236 11.941 ( -4.434 0.000 0.000) 4.434 12.039 ( 9.146 0.000 0.000) 9.146 12.070 ( -0.372 0.000 0.000) 0.372 12.165 ( -1.735 0.000 0.000) 1.735 12.196 ( 10.433 0.000 0.000) 10.433 12.520 ( -3.110 0.000 0.000) 3.110 12.595 ( -4.445 0.000 0.000) 4.445 13.263 ( 0.070 0.000 0.000) 0.070 13.634 ( -7.014 0.000 0.000) 7.014 13.643 ( -15.360 0.000 0.000) 15.360 13.699 ( -2.246 0.000 0.000) 2.246 14.155 ( 0.561 0.000 0.000) 0.561 14.217 ( 14.115 0.000 0.000) 14.115 14.323 ( 2.386 0.000 0.000) 2.386 14.872 ( -35.318 0.000 0.000) 35.318 15.302 ( -18.414 0.000 0.000) 18.414 15.738 ( -0.370 0.000 0.000) 0.370 15.868 ( 2.578 0.000 0.000) 2.578 16.174 ( 21.645 0.000 0.000) 21.645 16.520 ( 30.125 0.000 0.000) 30.125 16.669 ( -22.604 0.000 0.000) 22.604 17.621 ( -10.772 0.000 0.000) 10.772 17.655 ( -18.119 0.000 0.000) 18.119 17.682 ( -14.269 0.000 0.000) 14.269 17.942 ( -0.094 0.000 0.000) 0.094 18.066 ( 1.532 0.000 0.000) 1.532 18.186 ( -3.903 0.000 0.000) 3.903 18.491 ( -3.155 0.000 0.000) 3.155 18.507 ( -1.381 0.000 0.000) 1.381 18.800 ( -8.923 0.000 0.000) 8.923 18.963 ( -1.103 0.000 0.000) 1.103 20.104 ( 10.393 0.000 0.000) 10.393 20.129 ( 13.042 0.000 0.000) 13.042 20.982 ( -4.915 0.000 0.000) 4.915 21.014 ( -8.638 0.000 0.000) 8.638 21.831 ( 29.320 0.000 0.000) 29.320 22.948 ( 5.504 0.000 0.000) 5.504 23.440 ( -9.226 0.000 0.000) 9.226 23.810 ( -1.663 0.000 0.000) 1.663 24.440 ( 7.318 0.000 0.000) 7.318 24.445 ( 16.259 0.000 0.000) 16.259 26.223 ( -4.338 0.000 0.000) 4.338 26.239 ( -4.435 0.000 0.000) 4.435 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 22.290 0.000 0.000) 22.290 1.155 ( 26.456 0.000 0.000) 26.456 1.475 ( 12.095 0.000 0.000) 12.095 1.698 ( 12.836 0.000 0.000) 12.836 1.738 ( 8.241 0.000 0.000) 8.241 1.831 ( 14.763 0.000 0.000) 14.763 1.958 ( 44.707 0.000 0.000) 44.707 2.565 ( 10.236 0.000 0.000) 10.236 2.573 ( 9.693 0.000 0.000) 9.693 2.637 ( -3.409 0.000 0.000) 3.409 2.661 ( -0.894 0.000 0.000) 0.894 3.185 ( 10.716 0.000 0.000) 10.716 3.244 ( 9.734 0.000 0.000) 9.734 3.293 ( 13.589 0.000 0.000) 13.589 3.646 ( 5.845 0.000 0.000) 5.845 4.067 ( -4.606 0.000 0.000) 4.606 4.078 ( -4.223 0.000 0.000) 4.223 4.146 ( -1.113 0.000 0.000) 1.113 4.261 ( -10.982 0.000 0.000) 10.982 4.292 ( 1.230 0.000 0.000) 1.230 4.361 ( 6.015 0.000 0.000) 6.015 4.587 ( -7.845 0.000 0.000) 7.845 4.607 ( -1.752 0.000 0.000) 1.752 4.776 ( -6.612 0.000 0.000) 6.612 4.921 ( 6.446 0.000 0.000) 6.446 5.063 ( 11.061 0.000 0.000) 11.061 5.135 ( 11.572 0.000 0.000) 11.572 5.290 ( -6.405 0.000 0.000) 6.405 5.307 ( 2.697 0.000 0.000) 2.697 5.351 ( 7.491 0.000 0.000) 7.491 5.525 ( -3.926 0.000 0.000) 3.926 5.595 ( 8.904 0.000 0.000) 8.904 5.787 ( -9.497 0.000 0.000) 9.497 5.934 ( -2.167 0.000 0.000) 2.167 6.241 ( -0.274 0.000 0.000) 0.274 6.430 ( -1.940 0.000 0.000) 1.940 6.676 ( 16.635 0.000 0.000) 16.635 6.737 ( 7.940 0.000 0.000) 7.940 6.753 ( -3.049 0.000 0.000) 3.049 7.060 ( -9.360 0.000 0.000) 9.360 7.442 ( -2.114 0.000 0.000) 2.114 7.498 ( 6.847 0.000 0.000) 6.847 7.616 ( -0.634 0.000 0.000) 0.634 7.652 ( -0.194 0.000 0.000) 0.194 7.927 ( 3.100 0.000 0.000) 3.100 7.936 ( -6.107 0.000 0.000) 6.107 7.953 ( 5.941 0.000 0.000) 5.941 7.990 ( -6.900 0.000 0.000) 6.900 8.339 ( -7.767 0.000 0.000) 7.767 8.646 ( 5.284 0.000 0.000) 5.284 8.716 ( -2.143 0.000 0.000) 2.143 9.049 ( 5.972 0.000 0.000) 5.972 9.173 ( 8.818 0.000 0.000) 8.818 9.749 ( -11.772 0.000 0.000) 11.772 9.979 ( -6.717 0.000 0.000) 6.717 10.005 ( -8.477 0.000 0.000) 8.477 10.433 ( -6.810 0.000 0.000) 6.810 10.474 ( -6.194 0.000 0.000) 6.194 10.572 ( -10.885 0.000 0.000) 10.885 10.607 ( -8.840 0.000 0.000) 8.840 10.740 ( 0.622 0.000 0.000) 0.622 11.046 ( -9.146 0.000 0.000) 9.146 11.290 ( 1.318 0.000 0.000) 1.318 11.390 ( 10.489 0.000 0.000) 10.489 11.778 ( -8.249 0.000 0.000) 8.249 11.847 ( -4.819 0.000 0.000) 4.819 12.084 ( -0.636 0.000 0.000) 0.636 12.238 ( 9.100 0.000 0.000) 9.100 12.273 ( 13.635 0.000 0.000) 13.635 12.404 ( 10.278 0.000 0.000) 10.278 12.444 ( -3.151 0.000 0.000) 3.151 12.471 ( -8.138 0.000 0.000) 8.138 13.270 ( 0.791 0.000 0.000) 0.791 13.327 ( -15.976 0.000 0.000) 15.976 13.570 ( -0.135 0.000 0.000) 0.135 13.642 ( -3.518 0.000 0.000) 3.518 14.105 ( -5.547 0.000 0.000) 5.547 14.220 ( -29.494 0.000 0.000) 29.494 14.373 ( 2.315 0.000 0.000) 2.315 14.442 ( 7.891 0.000 0.000) 7.891 14.907 ( -20.139 0.000 0.000) 20.139 15.747 ( 1.136 0.000 0.000) 1.136 15.941 ( 4.608 0.000 0.000) 4.608 16.027 ( -40.231 0.000 0.000) 40.231 16.695 ( 30.253 0.000 0.000) 30.253 17.031 ( 14.283 0.000 0.000) 14.283 17.254 ( -21.304 0.000 0.000) 21.304 17.477 ( 4.985 0.000 0.000) 4.985 17.492 ( -5.497 0.000 0.000) 5.497 17.983 ( 3.149 0.000 0.000) 3.149 18.063 ( -8.917 0.000 0.000) 8.917 18.125 ( 4.575 0.000 0.000) 4.575 18.367 ( -11.439 0.000 0.000) 11.439 18.433 ( -3.684 0.000 0.000) 3.684 18.597 ( -10.169 0.000 0.000) 10.169 18.865 ( -7.977 0.000 0.000) 7.977 20.336 ( 12.572 0.000 0.000) 12.572 20.410 ( 14.288 0.000 0.000) 14.288 20.786 ( -14.326 0.000 0.000) 14.326 20.822 ( -11.871 0.000 0.000) 11.871 22.391 ( 24.728 0.000 0.000) 24.728 23.067 ( 5.900 0.000 0.000) 5.900 23.300 ( -4.661 0.000 0.000) 4.661 23.751 ( -4.436 0.000 0.000) 4.436 24.634 ( 11.984 0.000 0.000) 11.984 24.767 ( 15.750 0.000 0.000) 15.750 26.104 ( -7.735 0.000 0.000) 7.735 26.115 ( -8.155 0.000 0.000) 8.155 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 19.015 0.000 0.000) 19.015 1.601 ( 17.914 0.000 0.000) 17.914 1.669 ( 7.924 0.000 0.000) 7.924 1.801 ( -0.056 0.000 0.000) 0.056 1.926 ( 9.887 0.000 0.000) 9.887 2.103 ( 12.624 0.000 0.000) 12.624 2.564 ( -3.584 0.000 0.000) 3.584 2.569 ( -6.409 0.000 0.000) 6.409 2.730 ( 31.233 0.000 0.000) 31.233 2.749 ( 9.008 0.000 0.000) 9.008 2.775 ( 11.314 0.000 0.000) 11.314 3.403 ( 7.775 0.000 0.000) 7.775 3.409 ( 10.143 0.000 0.000) 10.143 3.558 ( 11.551 0.000 0.000) 11.551 3.887 ( 16.954 0.000 0.000) 16.954 3.904 ( -11.467 0.000 0.000) 11.467 3.986 ( -5.200 0.000 0.000) 5.200 4.113 ( -2.235 0.000 0.000) 2.235 4.118 ( -0.806 0.000 0.000) 0.806 4.342 ( 2.515 0.000 0.000) 2.515 4.463 ( -3.473 0.000 0.000) 3.473 4.476 ( 5.696 0.000 0.000) 5.696 4.549 ( -3.748 0.000 0.000) 3.748 4.636 ( -5.311 0.000 0.000) 5.311 5.093 ( 8.548 0.000 0.000) 8.548 5.149 ( -8.053 0.000 0.000) 8.053 5.194 ( 1.496 0.000 0.000) 1.496 5.249 ( -1.187 0.000 0.000) 1.187 5.377 ( 5.467 0.000 0.000) 5.467 5.443 ( -3.830 0.000 0.000) 3.830 5.486 ( 7.650 0.000 0.000) 7.650 5.593 ( -10.245 0.000 0.000) 10.245 5.780 ( 8.486 0.000 0.000) 8.486 5.904 ( -0.581 0.000 0.000) 0.581 6.228 ( -0.910 0.000 0.000) 0.910 6.396 ( -1.848 0.000 0.000) 1.848 6.733 ( 2.288 0.000 0.000) 2.288 6.884 ( 4.245 0.000 0.000) 4.245 6.913 ( -5.598 0.000 0.000) 5.598 6.953 ( 14.067 0.000 0.000) 14.067 7.379 ( -4.353 0.000 0.000) 4.353 7.562 ( -4.678 0.000 0.000) 4.678 7.651 ( 0.668 0.000 0.000) 0.668 7.667 ( 1.949 0.000 0.000) 1.949 7.886 ( -3.887 0.000 0.000) 3.887 7.903 ( 8.957 0.000 0.000) 8.957 7.935 ( -1.791 0.000 0.000) 1.791 8.017 ( -0.405 0.000 0.000) 0.405 8.253 ( 0.856 0.000 0.000) 0.856 8.725 ( 3.262 0.000 0.000) 3.262 8.789 ( 8.752 0.000 0.000) 8.752 9.161 ( 5.562 0.000 0.000) 5.562 9.369 ( 11.294 0.000 0.000) 11.294 9.564 ( -6.850 0.000 0.000) 6.850 9.786 ( -11.174 0.000 0.000) 11.174 9.844 ( -8.505 0.000 0.000) 8.505 10.322 ( -8.549 0.000 0.000) 8.549 10.368 ( -9.354 0.000 0.000) 9.354 10.373 ( -0.821 0.000 0.000) 0.821 10.393 ( -12.210 0.000 0.000) 12.210 10.785 ( 4.360 0.000 0.000) 4.360 10.822 ( -12.162 0.000 0.000) 12.162 11.267 ( -6.299 0.000 0.000) 6.299 11.583 ( -10.842 0.000 0.000) 10.842 11.642 ( 14.024 0.000 0.000) 14.024 11.799 ( 0.806 0.000 0.000) 0.806 12.045 ( -3.161 0.000 0.000) 3.161 12.226 ( -7.862 0.000 0.000) 7.862 12.298 ( -9.021 0.000 0.000) 9.021 12.543 ( 10.569 0.000 0.000) 10.569 12.548 ( 2.885 0.000 0.000) 2.885 12.557 ( 13.832 0.000 0.000) 13.832 13.088 ( -6.670 0.000 0.000) 6.670 13.295 ( 1.782 0.000 0.000) 1.782 13.567 ( -4.272 0.000 0.000) 4.272 13.601 ( 2.583 0.000 0.000) 2.583 13.772 ( -16.914 0.000 0.000) 16.914 13.954 ( -9.725 0.000 0.000) 9.725 14.394 ( -0.693 0.000 0.000) 0.693 14.409 ( -12.972 0.000 0.000) 12.972 14.659 ( -3.388 0.000 0.000) 3.388 15.252 ( -37.119 0.000 0.000) 37.119 15.778 ( 2.025 0.000 0.000) 2.025 16.031 ( 4.230 0.000 0.000) 4.230 16.895 ( -14.409 0.000 0.000) 14.409 16.985 ( -8.741 0.000 0.000) 8.741 17.225 ( 18.319 0.000 0.000) 18.319 17.415 ( -3.799 0.000 0.000) 3.799 17.888 ( 25.074 0.000 0.000) 25.074 17.913 ( -0.252 0.000 0.000) 0.252 17.984 ( -6.972 0.000 0.000) 6.972 18.192 ( -1.288 0.000 0.000) 1.288 18.261 ( 11.445 0.000 0.000) 11.445 18.323 ( -8.087 0.000 0.000) 8.087 18.457 ( -4.095 0.000 0.000) 4.095 18.705 ( -7.505 0.000 0.000) 7.505 20.477 ( -17.415 0.000 0.000) 17.415 20.520 ( -19.310 0.000 0.000) 19.310 20.565 ( 10.640 0.000 0.000) 10.640 20.647 ( 9.878 0.000 0.000) 9.878 22.746 ( 12.686 0.000 0.000) 12.686 23.150 ( 2.313 0.000 0.000) 2.313 23.256 ( -0.158 0.000 0.000) 0.158 23.647 ( -6.002 0.000 0.000) 6.002 24.869 ( 11.747 0.000 0.000) 11.747 25.035 ( 11.886 0.000 0.000) 11.886 25.932 ( -10.623 0.000 0.000) 10.623 25.934 ( -9.565 0.000 0.000) 9.565 ======================= Grid point 4 (5/72) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 14.088 0.000 0.000) 14.088 1.661 ( -4.173 0.000 0.000) 4.173 1.791 ( 5.062 0.000 0.000) 5.062 1.972 ( 12.388 0.000 0.000) 12.388 2.034 ( -0.940 0.000 0.000) 0.940 2.299 ( 7.488 0.000 0.000) 7.488 2.354 ( -11.466 0.000 0.000) 11.466 2.509 ( -2.227 0.000 0.000) 2.227 2.935 ( 10.522 0.000 0.000) 10.522 3.001 ( 11.991 0.000 0.000) 11.991 3.243 ( 20.788 0.000 0.000) 20.788 3.479 ( -3.528 0.000 0.000) 3.528 3.568 ( 8.671 0.000 0.000) 8.671 3.617 ( -4.695 0.000 0.000) 4.695 3.670 ( -11.176 0.000 0.000) 11.176 3.863 ( -8.352 0.000 0.000) 8.352 4.133 ( 5.704 0.000 0.000) 5.704 4.210 ( 14.900 0.000 0.000) 14.900 4.311 ( 17.591 0.000 0.000) 17.591 4.369 ( 0.221 0.000 0.000) 0.221 4.458 ( 1.988 0.000 0.000) 1.988 4.497 ( -0.897 0.000 0.000) 0.897 4.577 ( -1.454 0.000 0.000) 1.454 4.577 ( 4.589 0.000 0.000) 4.589 4.986 ( -8.297 0.000 0.000) 8.297 5.132 ( -8.391 0.000 0.000) 8.391 5.162 ( -2.657 0.000 0.000) 2.657 5.188 ( 1.228 0.000 0.000) 1.228 5.361 ( -5.555 0.000 0.000) 5.555 5.402 ( -9.290 0.000 0.000) 9.290 5.546 ( 11.124 0.000 0.000) 11.124 5.645 ( 7.961 0.000 0.000) 7.961 5.869 ( 0.713 0.000 0.000) 0.713 5.896 ( -0.921 0.000 0.000) 0.921 6.216 ( -0.094 0.000 0.000) 0.094 6.350 ( -2.936 0.000 0.000) 2.936 6.853 ( -0.377 0.000 0.000) 0.377 6.868 ( 10.682 0.000 0.000) 10.682 6.932 ( 2.948 0.000 0.000) 2.948 7.169 ( 0.048 0.000 0.000) 0.048 7.343 ( 7.607 0.000 0.000) 7.607 7.452 ( -6.124 0.000 0.000) 6.124 7.515 ( -9.545 0.000 0.000) 9.545 7.717 ( 2.420 0.000 0.000) 2.420 7.837 ( -1.225 0.000 0.000) 1.225 7.880 ( -3.415 0.000 0.000) 3.415 7.946 ( -5.525 0.000 0.000) 5.525 8.058 ( 0.684 0.000 0.000) 0.684 8.484 ( 20.715 0.000 0.000) 20.715 8.817 ( 5.212 0.000 0.000) 5.212 8.957 ( 8.111 0.000 0.000) 8.111 9.238 ( 0.864 0.000 0.000) 0.864 9.520 ( 3.567 0.000 0.000) 3.567 9.595 ( 11.436 0.000 0.000) 11.436 9.619 ( -5.301 0.000 0.000) 5.301 9.676 ( -8.133 0.000 0.000) 8.133 10.167 ( -10.404 0.000 0.000) 10.404 10.176 ( -5.952 0.000 0.000) 5.952 10.234 ( -4.374 0.000 0.000) 4.374 10.348 ( -2.505 0.000 0.000) 2.505 10.615 ( -8.610 0.000 0.000) 8.610 10.909 ( 8.064 0.000 0.000) 8.064 11.036 ( -16.158 0.000 0.000) 16.158 11.380 ( -9.831 0.000 0.000) 9.831 11.851 ( 3.009 0.000 0.000) 3.009 11.879 ( 8.166 0.000 0.000) 8.166 11.968 ( -4.624 0.000 0.000) 4.624 12.048 ( -9.564 0.000 0.000) 9.564 12.169 ( -2.010 0.000 0.000) 2.010 12.502 ( -5.512 0.000 0.000) 5.512 12.729 ( 7.642 0.000 0.000) 7.642 12.766 ( 7.297 0.000 0.000) 7.297 13.097 ( 5.628 0.000 0.000) 5.628 13.347 ( 3.972 0.000 0.000) 3.972 13.464 ( -6.492 0.000 0.000) 6.492 13.555 ( -6.068 0.000 0.000) 6.068 13.639 ( 0.471 0.000 0.000) 0.471 13.749 ( -10.856 0.000 0.000) 10.856 14.155 ( -10.161 0.000 0.000) 10.161 14.317 ( -8.228 0.000 0.000) 8.228 14.594 ( -4.825 0.000 0.000) 4.825 14.692 ( -18.525 0.000 0.000) 18.525 15.831 ( 3.716 0.000 0.000) 3.716 16.081 ( 0.286 0.000 0.000) 0.286 16.737 ( -1.631 0.000 0.000) 1.631 16.850 ( -3.938 0.000 0.000) 3.938 17.229 ( -10.940 0.000 0.000) 10.940 17.293 ( -9.804 0.000 0.000) 9.804 17.822 ( -5.405 0.000 0.000) 5.405 18.133 ( -10.717 0.000 0.000) 10.717 18.187 ( 7.601 0.000 0.000) 7.601 18.216 ( 20.345 0.000 0.000) 20.345 18.268 ( 6.007 0.000 0.000) 6.007 18.455 ( 8.151 0.000 0.000) 8.151 18.586 ( -5.137 0.000 0.000) 5.137 18.667 ( 27.600 0.000 0.000) 27.600 20.084 ( -25.441 0.000 0.000) 25.441 20.117 ( -19.932 0.000 0.000) 19.932 20.737 ( 7.033 0.000 0.000) 7.033 20.791 ( 5.205 0.000 0.000) 5.205 22.922 ( 6.514 0.000 0.000) 6.514 23.155 ( -1.517 0.000 0.000) 1.517 23.280 ( 2.329 0.000 0.000) 2.329 23.530 ( -5.887 0.000 0.000) 5.887 25.082 ( 10.377 0.000 0.000) 10.377 25.234 ( 9.057 0.000 0.000) 9.057 25.714 ( -11.610 0.000 0.000) 11.610 25.745 ( -9.764 0.000 0.000) 9.764 ======================= Grid point 5 (6/72) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 4.907 0.000 0.000) 4.907 1.838 ( 5.928 0.000 0.000) 5.928 1.850 ( -13.757 0.000 0.000) 13.757 1.866 ( 2.186 0.000 0.000) 2.186 2.153 ( 6.411 0.000 0.000) 6.411 2.236 ( -2.995 0.000 0.000) 2.995 2.402 ( 3.765 0.000 0.000) 3.765 2.464 ( -2.739 0.000 0.000) 2.739 3.160 ( 12.526 0.000 0.000) 12.526 3.215 ( 9.101 0.000 0.000) 9.101 3.356 ( -6.970 0.000 0.000) 6.970 3.391 ( -9.429 0.000 0.000) 9.429 3.546 ( 0.271 0.000 0.000) 0.271 3.608 ( 8.702 0.000 0.000) 8.702 3.673 ( -10.225 0.000 0.000) 10.225 3.686 ( 1.899 0.000 0.000) 1.899 4.268 ( 6.269 0.000 0.000) 6.269 4.350 ( -2.363 0.000 0.000) 2.363 4.435 ( 8.393 0.000 0.000) 8.393 4.510 ( 2.895 0.000 0.000) 2.895 4.512 ( 0.990 0.000 0.000) 0.990 4.554 ( -1.488 0.000 0.000) 1.488 4.576 ( 5.179 0.000 0.000) 5.179 4.623 ( -0.885 0.000 0.000) 0.885 4.907 ( 3.453 0.000 0.000) 3.453 5.006 ( -3.989 0.000 0.000) 3.989 5.139 ( 0.588 0.000 0.000) 0.588 5.172 ( -2.068 0.000 0.000) 2.068 5.236 ( -5.707 0.000 0.000) 5.707 5.245 ( -6.176 0.000 0.000) 6.176 5.743 ( 8.200 0.000 0.000) 8.200 5.772 ( 4.930 0.000 0.000) 4.930 5.842 ( -2.683 0.000 0.000) 2.683 5.854 ( -3.593 0.000 0.000) 3.593 6.233 ( 1.923 0.000 0.000) 1.923 6.287 ( -3.364 0.000 0.000) 3.364 6.901 ( 5.229 0.000 0.000) 5.229 7.021 ( 5.320 0.000 0.000) 5.320 7.040 ( -8.462 0.000 0.000) 8.462 7.045 ( 4.840 0.000 0.000) 4.840 7.350 ( -3.708 0.000 0.000) 3.708 7.361 ( -5.226 0.000 0.000) 5.226 7.565 ( 10.540 0.000 0.000) 10.540 7.710 ( -4.191 0.000 0.000) 4.191 7.830 ( 0.195 0.000 0.000) 0.195 7.836 ( -0.616 0.000 0.000) 0.616 7.888 ( 1.590 0.000 0.000) 1.590 7.990 ( -6.373 0.000 0.000) 6.373 8.818 ( 10.630 0.000 0.000) 10.630 8.890 ( 1.414 0.000 0.000) 1.414 9.094 ( 6.094 0.000 0.000) 6.094 9.194 ( -4.216 0.000 0.000) 4.216 9.571 ( -0.706 0.000 0.000) 0.706 9.573 ( -1.910 0.000 0.000) 1.910 9.661 ( 8.254 0.000 0.000) 8.254 9.748 ( 1.718 0.000 0.000) 1.718 10.041 ( -0.720 0.000 0.000) 0.720 10.094 ( -3.402 0.000 0.000) 3.402 10.202 ( 1.188 0.000 0.000) 1.188 10.271 ( -4.946 0.000 0.000) 4.946 10.529 ( 1.530 0.000 0.000) 1.530 10.709 ( -15.543 0.000 0.000) 15.543 11.071 ( 7.947 0.000 0.000) 7.947 11.214 ( -7.444 0.000 0.000) 7.444 11.887 ( -2.842 0.000 0.000) 2.842 11.887 ( 0.997 0.000 0.000) 0.997 11.899 ( -4.661 0.000 0.000) 4.661 11.912 ( -1.642 0.000 0.000) 1.642 12.261 ( 8.014 0.000 0.000) 8.014 12.394 ( -5.690 0.000 0.000) 5.690 12.824 ( 2.478 0.000 0.000) 2.478 12.840 ( 0.909 0.000 0.000) 0.909 13.227 ( 6.840 0.000 0.000) 6.840 13.346 ( -5.635 0.000 0.000) 5.635 13.457 ( 7.159 0.000 0.000) 7.159 13.495 ( -0.168 0.000 0.000) 0.168 13.565 ( -7.250 0.000 0.000) 7.250 13.590 ( -5.503 0.000 0.000) 5.503 14.057 ( -0.156 0.000 0.000) 0.156 14.132 ( -7.775 0.000 0.000) 7.775 14.505 ( -3.028 0.000 0.000) 3.028 14.508 ( -3.573 0.000 0.000) 3.573 15.923 ( 5.662 0.000 0.000) 5.662 16.033 ( -4.865 0.000 0.000) 4.865 16.818 ( 9.223 0.000 0.000) 9.223 16.857 ( 4.503 0.000 0.000) 4.503 17.006 ( -10.421 0.000 0.000) 10.421 17.052 ( -13.700 0.000 0.000) 13.700 17.813 ( 3.740 0.000 0.000) 3.740 17.939 ( -8.796 0.000 0.000) 8.796 18.286 ( 3.473 0.000 0.000) 3.473 18.328 ( -0.751 0.000 0.000) 0.751 18.386 ( 5.880 0.000 0.000) 5.880 18.491 ( -5.026 0.000 0.000) 5.026 18.929 ( 30.645 0.000 0.000) 30.645 19.188 ( 23.280 0.000 0.000) 23.280 19.561 ( -26.389 0.000 0.000) 26.389 19.705 ( -22.480 0.000 0.000) 22.480 20.834 ( 2.956 0.000 0.000) 2.956 20.852 ( 1.082 0.000 0.000) 1.082 23.024 ( 4.503 0.000 0.000) 4.503 23.103 ( -3.598 0.000 0.000) 3.598 23.340 ( 3.774 0.000 0.000) 3.774 23.424 ( -4.945 0.000 0.000) 4.945 25.281 ( 10.468 0.000 0.000) 10.468 25.398 ( 8.281 0.000 0.000) 8.281 25.491 ( -11.308 0.000 0.000) 11.308 25.563 ( -8.944 0.000 0.000) 8.944 ======================= Grid point 11 (7/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 0.000 21.938 0.000) 21.938 0.534 ( 0.000 25.557 0.000) 25.557 0.862 ( 0.000 -15.684 0.000) 15.684 1.036 ( 0.000 -22.026 0.000) 22.026 1.041 ( 0.000 52.354 0.000) 52.354 1.535 ( 0.000 8.434 0.000) 8.434 1.608 ( 0.000 2.994 0.000) 2.994 2.013 ( 0.000 -46.470 0.000) 46.470 2.204 ( 0.000 -2.576 0.000) 2.576 2.210 ( 0.000 -4.911 0.000) 4.911 2.752 ( 0.000 11.864 0.000) 11.864 2.946 ( 0.000 -7.215 0.000) 7.215 3.027 ( 0.000 5.412 0.000) 5.412 3.131 ( 0.000 -2.510 0.000) 2.510 3.948 ( 0.000 24.616 0.000) 24.616 4.077 ( 0.000 1.903 0.000) 1.903 4.128 ( 0.000 -2.687 0.000) 2.687 4.209 ( 0.000 3.671 0.000) 3.671 4.319 ( 0.000 -6.673 0.000) 6.673 4.377 ( 0.000 11.323 0.000) 11.323 4.382 ( 0.000 -17.388 0.000) 17.388 4.566 ( 0.000 4.672 0.000) 4.672 4.606 ( 0.000 -9.565 0.000) 9.565 4.632 ( 0.000 0.643 0.000) 0.643 4.722 ( 0.000 5.443 0.000) 5.443 4.940 ( 0.000 -12.909 0.000) 12.909 4.942 ( 0.000 10.117 0.000) 10.117 5.133 ( 0.000 0.013 0.000) 0.013 5.151 ( 0.000 -1.153 0.000) 1.153 5.158 ( 0.000 -11.068 0.000) 11.068 5.424 ( 0.000 7.528 0.000) 7.528 5.552 ( 0.000 -4.744 0.000) 4.744 5.685 ( 0.000 13.145 0.000) 13.145 5.873 ( 0.000 -4.749 0.000) 4.749 6.175 ( 0.000 -3.058 0.000) 3.058 6.198 ( 0.000 -6.730 0.000) 6.730 6.310 ( 0.000 7.110 0.000) 7.110 6.442 ( 0.000 -5.317 0.000) 5.317 6.719 ( 0.000 7.982 0.000) 7.982 6.828 ( 0.000 -2.585 0.000) 2.585 7.390 ( 0.000 0.284 0.000) 0.284 7.397 ( 0.000 -0.357 0.000) 0.357 7.520 ( 0.000 4.106 0.000) 4.106 7.600 ( 0.000 -3.518 0.000) 3.518 7.888 ( 0.000 6.047 0.000) 6.047 8.032 ( 0.000 -7.529 0.000) 7.529 8.176 ( 0.000 1.243 0.000) 1.243 8.202 ( 0.000 -1.289 0.000) 1.289 8.629 ( 0.000 6.181 0.000) 6.181 8.662 ( 0.000 5.986 0.000) 5.986 8.750 ( 0.000 -5.415 0.000) 5.415 8.796 ( 0.000 -6.469 0.000) 6.469 9.708 ( 0.000 8.816 0.000) 8.816 9.937 ( 0.000 -13.838 0.000) 13.838 10.394 ( 0.000 4.887 0.000) 4.887 10.450 ( 0.000 -1.616 0.000) 1.616 10.457 ( 0.000 -0.091 0.000) 0.091 10.474 ( 0.000 -2.091 0.000) 2.091 10.834 ( 0.000 8.326 0.000) 8.326 10.944 ( 0.000 10.545 0.000) 10.545 10.978 ( 0.000 -5.547 0.000) 5.547 11.189 ( 0.000 -13.016 0.000) 13.016 11.446 ( 0.000 6.016 0.000) 6.016 11.526 ( 0.000 -0.521 0.000) 0.521 11.684 ( 0.000 1.479 0.000) 1.479 11.697 ( 0.000 0.132 0.000) 0.132 11.980 ( 0.000 4.494 0.000) 4.494 12.027 ( 0.000 0.878 0.000) 0.878 12.058 ( 0.000 -1.802 0.000) 1.802 12.111 ( 0.000 -7.701 0.000) 7.701 12.583 ( 0.000 1.906 0.000) 1.906 12.621 ( 0.000 -1.644 0.000) 1.644 13.790 ( 0.000 1.082 0.000) 1.082 13.804 ( 0.000 7.272 0.000) 7.272 13.815 ( 0.000 -1.288 0.000) 1.288 13.953 ( 0.000 -6.863 0.000) 6.863 14.070 ( 0.000 6.668 0.000) 6.668 14.217 ( 0.000 -7.149 0.000) 7.149 15.235 ( 0.000 9.271 0.000) 9.271 15.355 ( 0.000 1.232 0.000) 1.232 15.385 ( 0.000 -1.553 0.000) 1.553 15.420 ( 0.000 -8.121 0.000) 8.121 15.866 ( 0.000 1.103 0.000) 1.103 15.890 ( 0.000 -1.135 0.000) 1.135 15.980 ( 0.000 3.937 0.000) 3.937 16.061 ( 0.000 -3.634 0.000) 3.634 17.775 ( 0.000 3.016 0.000) 3.016 17.826 ( 0.000 -1.524 0.000) 1.524 17.904 ( 0.000 5.138 0.000) 5.138 18.024 ( 0.000 0.051 0.000) 0.051 18.039 ( 0.000 -8.315 0.000) 8.315 18.041 ( 0.000 -1.350 0.000) 1.350 18.381 ( 0.000 7.755 0.000) 7.755 18.503 ( 0.000 -4.504 0.000) 4.504 18.915 ( 0.000 0.828 0.000) 0.828 18.931 ( 0.000 -0.667 0.000) 0.667 19.989 ( 0.000 0.051 0.000) 0.051 19.990 ( 0.000 -0.062 0.000) 0.062 21.044 ( 0.000 1.664 0.000) 1.664 21.081 ( 0.000 -1.774 0.000) 1.774 21.471 ( 0.000 0.874 0.000) 0.874 21.488 ( 0.000 -0.747 0.000) 0.747 23.849 ( 0.000 2.551 0.000) 2.551 23.911 ( 0.000 -3.350 0.000) 3.350 24.286 ( 0.000 3.160 0.000) 3.160 24.344 ( 0.000 -2.363 0.000) 2.363 26.270 ( 0.000 0.417 0.000) 0.417 26.279 ( 0.000 -0.415 0.000) 0.415 ======================= Grid point 12 (8/72) ======================= q-point: ( 0.09 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 15.420 16.884 0.000) 22.866 0.790 ( 21.211 14.566 0.000) 25.731 1.035 ( 14.176 -13.369 0.000) 19.485 1.188 ( 14.373 -18.014 0.000) 23.045 1.423 ( 34.089 33.794 0.000) 48.001 1.649 ( 9.967 7.984 0.000) 12.771 1.723 ( 8.831 2.903 0.000) 9.296 2.125 ( 11.982 -32.708 0.000) 34.834 2.312 ( 9.763 -2.627 0.000) 10.111 2.369 ( 14.653 -8.421 0.000) 16.901 2.764 ( -0.973 7.743 0.000) 7.804 2.913 ( -2.654 -6.910 0.000) 7.402 3.116 ( 8.394 4.444 0.000) 9.498 3.191 ( 5.514 -1.210 0.000) 5.645 3.895 ( -4.918 21.868 0.000) 22.414 4.102 ( 1.833 2.114 0.000) 2.798 4.141 ( -0.047 -0.741 0.000) 0.742 4.236 ( 3.378 0.437 0.000) 3.406 4.277 ( -5.758 -11.883 0.000) 13.204 4.297 ( -5.333 -8.113 0.000) 9.708 4.309 ( -3.819 11.020 0.000) 11.663 4.529 ( -2.345 -9.149 0.000) 9.445 4.730 ( 9.553 1.672 0.000) 9.698 4.739 ( 2.394 1.485 0.000) 2.817 4.843 ( 6.938 6.582 0.000) 9.563 4.990 ( -5.893 -4.352 0.000) 7.326 5.045 ( 13.243 12.934 0.000) 18.511 5.192 ( 4.850 -1.231 0.000) 5.003 5.196 ( 3.760 -3.097 0.000) 4.871 5.300 ( 3.673 -7.689 0.000) 8.521 5.571 ( 1.221 -0.338 0.000) 1.267 5.635 ( 3.766 4.648 0.000) 5.982 5.727 ( 7.012 -10.046 0.000) 12.251 5.879 ( -0.202 -7.506 0.000) 7.509 6.304 ( -0.434 5.805 0.000) 5.821 6.305 ( 11.352 -2.574 0.000) 11.641 6.430 ( -0.555 -4.783 0.000) 4.815 6.455 ( 24.860 -21.786 0.000) 33.055 6.743 ( 3.533 7.511 0.000) 8.301 6.861 ( 7.099 -5.227 0.000) 8.816 7.374 ( -1.634 0.274 0.000) 1.657 7.390 ( -0.277 -1.181 0.000) 1.213 7.543 ( 2.362 5.585 0.000) 6.064 7.644 ( 3.942 -4.233 0.000) 5.785 7.874 ( -0.973 5.040 0.000) 5.134 7.993 ( -3.668 -6.061 0.000) 7.084 8.048 ( -10.052 3.911 0.000) 10.786 8.105 ( -8.577 -2.338 0.000) 8.889 8.549 ( -7.076 5.032 0.000) 8.683 8.651 ( -7.193 -5.126 0.000) 8.833 8.715 ( 2.888 7.171 0.000) 7.731 8.859 ( 5.125 -6.703 0.000) 8.437 9.619 ( -6.749 18.576 0.000) 19.764 9.867 ( -5.976 -10.302 0.000) 11.910 10.218 ( -12.521 3.810 0.000) 13.088 10.265 ( -13.246 13.649 0.000) 19.020 10.361 ( -10.363 -6.237 0.000) 12.095 10.502 ( -1.463 -4.664 0.000) 4.888 10.761 ( -4.933 1.224 0.000) 5.082 10.768 ( -11.117 0.718 0.000) 11.140 11.071 ( -2.297 11.439 0.000) 11.668 11.094 ( 7.473 1.985 0.000) 7.732 11.292 ( -8.192 0.091 0.000) 8.192 11.329 ( -8.795 -0.917 0.000) 8.843 11.826 ( 7.413 2.581 0.000) 7.849 11.886 ( 2.689 -3.632 0.000) 4.520 12.038 ( 5.357 -0.059 0.000) 5.358 12.054 ( 3.079 -1.318 0.000) 3.349 12.128 ( 11.218 -2.095 0.000) 11.412 12.136 ( 0.950 -2.066 0.000) 2.274 12.552 ( -3.264 1.945 0.000) 3.799 12.583 ( -3.838 -1.195 0.000) 4.020 13.500 ( -16.901 4.464 0.000) 17.480 13.545 ( -11.295 -3.126 0.000) 11.720 13.875 ( -0.628 11.031 0.000) 11.049 13.926 ( -27.580 29.834 0.000) 40.629 14.085 ( -4.942 -4.349 0.000) 6.583 14.238 ( 11.752 1.681 0.000) 11.872 14.302 ( 4.691 -1.622 0.000) 4.964 14.573 ( -41.617 -25.006 0.000) 48.552 15.497 ( -8.788 14.349 0.000) 16.826 15.714 ( -0.631 -4.477 0.000) 4.521 15.873 ( 2.504 1.038 0.000) 2.711 15.992 ( 7.982 -13.213 0.000) 15.437 16.536 ( 28.870 1.681 0.000) 28.919 16.594 ( 13.179 -4.484 0.000) 13.921 17.562 ( -17.038 -0.802 0.000) 17.057 17.608 ( -15.478 -5.122 0.000) 16.304 17.791 ( -9.749 7.891 0.000) 12.543 17.895 ( -0.983 -2.853 0.000) 3.018 18.052 ( 0.376 -0.542 0.000) 0.659 18.103 ( -3.397 -5.930 0.000) 6.834 18.455 ( 0.041 -0.580 0.000) 0.582 18.475 ( -2.351 -1.490 0.000) 2.784 18.863 ( -5.739 4.282 0.000) 7.161 18.935 ( -2.251 -2.793 0.000) 3.587 20.108 ( 10.985 0.340 0.000) 10.990 20.118 ( 12.386 -0.731 0.000) 12.407 20.990 ( -5.785 0.762 0.000) 5.835 21.006 ( -7.614 -0.724 0.000) 7.648 21.896 ( 33.282 7.535 0.000) 34.124 22.215 ( 41.113 -29.745 0.000) 50.745 23.750 ( -12.426 7.779 0.000) 14.660 23.808 ( -4.096 -0.487 0.000) 4.125 24.428 ( 13.630 -0.425 0.000) 13.636 24.433 ( 9.002 -0.580 0.000) 9.021 26.227 ( -4.351 0.405 0.000) 4.370 26.236 ( -4.411 -0.355 0.000) 4.426 ======================= Grid point 13 (9/72) ======================= q-point: ( 0.18 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 17.983 8.623 0.000) 19.943 1.194 ( 17.309 -4.609 0.000) 17.912 1.337 ( 18.041 -0.887 0.000) 18.063 1.517 ( 18.057 -12.243 0.000) 21.816 1.849 ( 9.276 6.745 0.000) 11.469 1.913 ( 10.210 1.567 0.000) 10.330 2.150 ( 37.162 16.066 0.000) 40.486 2.430 ( 16.970 -11.213 0.000) 20.340 2.541 ( 12.456 1.693 0.000) 12.570 2.634 ( 6.675 -3.836 0.000) 7.699 2.735 ( -1.400 5.758 0.000) 5.926 2.923 ( 8.551 -14.748 0.000) 17.048 3.313 ( 11.664 1.525 0.000) 11.763 3.324 ( 8.031 1.183 0.000) 8.118 3.801 ( -3.328 13.254 0.000) 13.665 4.061 ( -9.535 -6.886 0.000) 11.762 4.106 ( -3.307 0.155 0.000) 3.310 4.110 ( -5.047 -5.738 0.000) 7.642 4.254 ( -1.755 11.325 0.000) 11.461 4.301 ( 3.539 0.921 0.000) 3.657 4.335 ( 5.946 -2.200 0.000) 6.340 4.484 ( -2.500 -10.270 0.000) 10.569 4.663 ( -7.044 7.007 0.000) 9.936 4.810 ( -6.386 -6.208 0.000) 8.906 4.957 ( 7.971 7.258 0.000) 10.781 5.025 ( 10.499 -1.335 0.000) 10.584 5.243 ( 0.234 -0.646 0.000) 0.687 5.254 ( 6.332 7.045 0.000) 9.473 5.302 ( 4.883 -4.242 0.000) 6.468 5.334 ( 0.939 -0.702 0.000) 1.173 5.571 ( -1.595 5.256 0.000) 5.492 5.670 ( 3.472 5.745 0.000) 6.712 5.725 ( -4.518 -4.623 0.000) 6.464 5.858 ( -0.999 -7.764 0.000) 7.829 6.292 ( -0.736 4.639 0.000) 4.697 6.383 ( -1.285 -4.025 0.000) 4.226 6.571 ( 9.543 -1.875 0.000) 9.726 6.647 ( 1.237 -7.955 0.000) 8.051 6.916 ( 12.660 10.148 0.000) 16.225 7.062 ( 1.536 -2.862 0.000) 3.248 7.384 ( 0.548 -1.964 0.000) 2.039 7.432 ( 8.638 -8.956 0.000) 12.443 7.615 ( 5.349 7.252 0.000) 9.011 7.695 ( -0.867 -0.073 0.000) 0.870 7.892 ( -3.967 -0.050 0.000) 3.967 7.914 ( -3.352 -2.020 0.000) 3.914 7.933 ( 9.211 -2.733 0.000) 9.608 7.943 ( -6.687 -3.092 0.000) 7.368 8.393 ( -8.022 4.484 0.000) 9.190 8.494 ( -7.452 -6.604 0.000) 9.957 8.791 ( 4.500 7.587 0.000) 8.821 8.962 ( 5.279 -8.144 0.000) 9.706 9.541 ( -0.755 20.563 0.000) 20.577 9.750 ( -5.729 -1.833 0.000) 6.015 9.965 ( -12.608 -0.918 0.000) 12.641 10.036 ( -13.130 0.836 0.000) 13.157 10.173 ( -6.301 -4.496 0.000) 7.741 10.376 ( -9.698 -12.735 0.000) 16.008 10.596 ( -6.904 4.857 0.000) 8.441 10.690 ( -2.957 -3.529 0.000) 4.604 10.957 ( -10.524 15.871 0.000) 19.043 11.073 ( -11.505 1.831 0.000) 11.650 11.280 ( 5.388 -0.702 0.000) 5.433 11.327 ( 9.759 -5.191 0.000) 11.054 11.835 ( -4.638 0.250 0.000) 4.644 11.841 ( -3.549 2.372 0.000) 4.268 12.118 ( -3.049 4.494 0.000) 5.431 12.220 ( 9.745 -2.858 0.000) 10.156 12.259 ( 15.030 0.186 0.000) 15.031 12.322 ( 7.571 -6.158 0.000) 9.758 12.468 ( -3.889 1.366 0.000) 4.122 12.480 ( -6.474 0.265 0.000) 6.479 13.294 ( -6.449 3.515 0.000) 7.344 13.408 ( -3.092 -8.081 0.000) 8.652 13.516 ( -14.238 17.244 0.000) 22.362 13.831 ( -4.690 9.425 0.000) 10.527 13.931 ( -23.223 -20.498 0.000) 30.975 14.026 ( -4.651 -7.521 0.000) 8.843 14.397 ( 3.851 1.938 0.000) 4.311 14.431 ( 7.052 -1.273 0.000) 7.166 15.198 ( -20.811 22.657 0.000) 30.764 15.622 ( -14.746 -16.704 0.000) 22.281 15.918 ( -11.407 -3.048 0.000) 11.808 15.925 ( 2.498 -1.441 0.000) 2.884 16.793 ( 15.354 6.987 0.000) 16.869 16.923 ( 5.684 -6.792 0.000) 8.857 17.418 ( 8.295 8.095 0.000) 11.590 17.479 ( 1.409 -1.298 0.000) 1.916 17.528 ( -13.939 8.799 0.000) 16.484 17.823 ( -8.542 -16.325 0.000) 18.425 18.032 ( -0.525 1.393 0.000) 1.489 18.087 ( 3.354 -3.304 0.000) 4.708 18.381 ( -6.009 1.612 0.000) 6.221 18.416 ( -3.987 -1.638 0.000) 4.310 18.698 ( -10.308 7.274 0.000) 12.616 18.819 ( -8.743 -4.591 0.000) 9.875 20.354 ( 13.161 1.634 0.000) 13.262 20.390 ( 14.065 -1.795 0.000) 14.179 20.797 ( -13.697 0.915 0.000) 13.728 20.815 ( -12.464 -0.737 0.000) 12.486 22.476 ( 23.581 8.846 0.000) 25.185 22.743 ( 16.888 -18.357 0.000) 24.944 23.548 ( -7.775 12.179 0.000) 14.449 23.707 ( -5.860 -4.707 0.000) 7.516 24.660 ( 13.231 2.541 0.000) 13.473 24.724 ( 15.310 -3.572 0.000) 15.721 26.108 ( -7.792 0.333 0.000) 7.799 26.114 ( -8.001 -0.206 0.000) 8.004 ======================= Grid point 14 (10/72) ======================= q-point: ( 0.27 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 16.915 2.486 0.000) 17.097 1.448 ( 10.628 -9.632 0.000) 14.343 1.710 ( 18.379 5.434 0.000) 19.165 1.841 ( 14.438 -6.974 0.000) 16.033 1.959 ( 1.123 9.044 0.000) 9.114 2.083 ( 6.492 -3.304 0.000) 7.285 2.584 ( -5.339 1.491 0.000) 5.543 2.588 ( -6.951 1.143 0.000) 7.044 2.717 ( 17.723 -0.725 0.000) 17.738 2.728 ( 12.189 -1.658 0.000) 12.301 2.922 ( 22.131 13.789 0.000) 26.076 3.218 ( 15.866 -13.906 0.000) 21.097 3.495 ( 8.238 3.312 0.000) 8.879 3.542 ( 9.630 -1.637 0.000) 9.768 3.812 ( 4.989 0.238 0.000) 4.995 3.885 ( -7.030 -3.531 0.000) 7.867 4.015 ( -5.618 -0.655 0.000) 5.656 4.026 ( -1.895 -4.080 0.000) 4.499 4.251 ( 1.903 10.650 0.000) 10.819 4.380 ( 3.828 2.977 0.000) 4.850 4.445 ( -1.150 -8.153 0.000) 8.233 4.446 ( 5.280 -2.834 0.000) 5.992 4.549 ( -3.597 7.674 0.000) 8.475 4.676 ( -5.675 -2.366 0.000) 6.149 5.090 ( 2.200 3.417 0.000) 4.064 5.157 ( 1.177 -2.501 0.000) 2.764 5.202 ( -2.764 2.892 0.000) 4.000 5.259 ( -3.864 -1.384 0.000) 4.104 5.385 ( 5.964 1.154 0.000) 6.075 5.422 ( 7.178 -2.400 0.000) 7.568 5.513 ( -3.647 3.428 0.000) 5.005 5.578 ( -8.547 -2.149 0.000) 8.813 5.799 ( 6.365 2.391 0.000) 6.800 5.867 ( 1.435 -3.534 0.000) 3.814 6.274 ( -1.074 4.124 0.000) 4.261 6.357 ( -1.472 -3.640 0.000) 3.927 6.693 ( 5.017 -1.264 0.000) 5.174 6.741 ( 9.006 -6.458 0.000) 11.082 6.994 ( -4.329 5.390 0.000) 6.913 7.046 ( 2.150 1.517 0.000) 2.631 7.404 ( -0.207 4.209 0.000) 4.214 7.530 ( 0.175 -5.687 0.000) 5.689 7.635 ( -3.607 -0.436 0.000) 3.633 7.657 ( -4.779 -0.844 0.000) 4.853 7.830 ( -2.037 -2.333 0.000) 3.097 7.839 ( -3.219 -2.341 0.000) 3.981 8.048 ( 17.818 13.012 0.000) 22.063 8.174 ( 6.160 5.910 0.000) 8.537 8.277 ( -2.894 1.390 0.000) 3.210 8.437 ( 6.194 -18.407 0.000) 19.421 8.892 ( 5.951 6.992 0.000) 9.182 9.062 ( 5.062 -8.874 0.000) 10.217 9.575 ( 3.377 13.978 0.000) 14.380 9.637 ( -6.108 7.408 0.000) 9.602 9.774 ( -6.344 -6.431 0.000) 9.034 9.783 ( -10.804 -2.967 0.000) 11.204 10.085 ( -4.455 -6.465 0.000) 7.852 10.193 ( -8.644 -10.953 0.000) 13.953 10.475 ( -5.797 8.702 0.000) 10.456 10.617 ( -6.063 -1.406 0.000) 6.223 10.782 ( -4.764 4.627 0.000) 6.640 10.835 ( -11.708 0.558 0.000) 11.721 11.329 ( -3.344 5.544 0.000) 6.475 11.453 ( -0.929 -6.843 0.000) 6.906 11.777 ( -0.355 -0.024 0.000) 0.355 11.801 ( 2.009 2.918 0.000) 3.543 12.029 ( -4.758 6.731 0.000) 8.243 12.279 ( -6.966 -2.915 0.000) 7.551 12.331 ( 0.862 -8.052 0.000) 8.098 12.347 ( -6.542 1.593 0.000) 6.734 12.552 ( 13.869 0.209 0.000) 13.871 12.575 ( 11.034 -1.197 0.000) 11.099 13.205 ( -2.122 9.543 0.000) 9.776 13.358 ( -3.358 6.802 0.000) 7.586 13.400 ( 1.446 -9.906 0.000) 10.011 13.557 ( -13.264 -12.257 0.000) 18.061 13.779 ( -3.817 6.897 0.000) 7.882 13.903 ( -7.887 -4.959 0.000) 9.317 14.438 ( 0.227 4.025 0.000) 4.032 14.502 ( -0.308 0.148 0.000) 0.342 14.762 ( -22.038 14.611 0.000) 26.442 15.089 ( -32.171 -15.010 0.000) 35.500 15.844 ( 0.682 5.850 0.000) 5.890 15.967 ( 2.034 -5.813 0.000) 6.158 16.901 ( -1.934 4.412 0.000) 4.817 17.062 ( 9.323 -10.876 0.000) 14.325 17.173 ( -16.616 13.824 0.000) 21.615 17.410 ( -14.132 -7.113 0.000) 15.821 17.856 ( 18.908 -0.492 0.000) 18.914 17.877 ( 25.275 -1.167 0.000) 25.302 18.046 ( -1.143 5.517 0.000) 5.634 18.183 ( 7.416 -7.001 0.000) 10.198 18.257 ( -4.840 3.936 0.000) 6.239 18.310 ( -6.442 -1.562 0.000) 6.628 18.527 ( -6.010 6.293 0.000) 8.702 18.651 ( -7.400 -5.271 0.000) 9.085 20.489 ( -17.969 1.045 0.000) 17.999 20.510 ( -18.892 -0.948 0.000) 18.915 20.586 ( 10.483 1.954 0.000) 10.663 20.627 ( 10.112 -1.858 0.000) 10.281 22.803 ( 11.383 5.755 0.000) 12.755 22.963 ( 7.327 -10.386 0.000) 12.710 23.441 ( -3.906 10.116 0.000) 10.844 23.594 ( -5.711 -5.378 0.000) 7.844 24.906 ( 11.776 3.547 0.000) 12.299 24.988 ( 11.848 -4.116 0.000) 12.542 25.935 ( -10.201 0.224 0.000) 10.203 25.936 ( -9.690 0.124 0.000) 9.691 ======================= Grid point 15 (11/72) ======================= q-point: ( 0.36 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 6.317 -1.641 0.000) 6.527 1.620 ( 12.669 -1.271 0.000) 12.732 1.904 ( -4.413 7.907 0.000) 9.055 2.005 ( 11.677 3.765 0.000) 12.269 2.006 ( -1.307 -2.808 0.000) 3.097 2.146 ( 2.540 -9.490 0.000) 9.824 2.448 ( -4.163 4.051 0.000) 5.809 2.497 ( -2.905 -1.315 0.000) 3.189 2.951 ( 11.388 1.510 0.000) 11.488 2.984 ( 12.269 -1.552 0.000) 12.366 3.325 ( 17.084 7.210 0.000) 18.543 3.445 ( 4.485 -3.449 0.000) 5.657 3.549 ( 1.041 -2.332 0.000) 2.554 3.549 ( -6.964 -2.893 0.000) 7.541 3.752 ( -7.670 4.789 0.000) 9.042 3.831 ( -7.419 -3.119 0.000) 8.048 4.070 ( 12.772 0.675 0.000) 12.790 4.171 ( 12.972 -8.154 0.000) 15.322 4.333 ( 6.027 6.577 0.000) 8.921 4.444 ( 1.668 -4.432 0.000) 4.736 4.457 ( 4.653 4.505 0.000) 6.476 4.523 ( 1.652 2.815 0.000) 3.264 4.551 ( 4.579 -0.040 0.000) 4.579 4.611 ( -1.032 -0.021 0.000) 1.032 5.012 ( -7.027 2.844 0.000) 7.581 5.084 ( -7.007 -3.739 0.000) 7.942 5.178 ( -3.099 0.556 0.000) 3.149 5.182 ( -0.671 -0.224 0.000) 0.708 5.383 ( -7.155 1.764 0.000) 7.369 5.404 ( -9.154 -0.141 0.000) 9.155 5.559 ( 10.360 1.445 0.000) 10.460 5.608 ( 8.654 -3.146 0.000) 9.208 5.866 ( 0.408 0.096 0.000) 0.419 5.881 ( -0.489 -1.176 0.000) 1.274 6.254 ( -0.813 3.401 0.000) 3.497 6.321 ( -2.247 -2.836 0.000) 3.618 6.820 ( 5.673 0.674 0.000) 5.713 6.876 ( 4.722 -4.265 0.000) 6.363 6.985 ( 4.687 7.337 0.000) 8.706 7.116 ( 2.908 -5.281 0.000) 6.028 7.395 ( 1.777 4.368 0.000) 4.715 7.448 ( -6.610 -0.694 0.000) 6.647 7.515 ( -6.837 0.713 0.000) 6.874 7.600 ( -0.197 -7.982 0.000) 7.985 7.806 ( -0.619 -1.018 0.000) 1.192 7.815 ( 0.467 -1.681 0.000) 1.744 8.120 ( -7.056 8.281 0.000) 10.879 8.154 ( -4.437 5.024 0.000) 6.702 8.519 ( 20.802 4.409 0.000) 21.264 8.680 ( 12.920 -10.550 0.000) 16.681 9.009 ( 5.575 4.660 0.000) 7.266 9.140 ( 2.023 -7.912 0.000) 8.167 9.564 ( 0.192 2.812 0.000) 2.818 9.579 ( -2.180 0.240 0.000) 2.193 9.699 ( -2.325 3.547 0.000) 4.242 9.747 ( 6.588 6.245 0.000) 9.078 9.972 ( -7.236 -8.231 0.000) 10.960 10.054 ( -5.272 -8.989 0.000) 10.421 10.374 ( -4.698 9.287 0.000) 10.408 10.467 ( -8.117 2.482 0.000) 8.488 10.656 ( -6.075 4.158 0.000) 7.361 10.782 ( 3.031 -8.625 0.000) 9.142 11.149 ( -13.197 8.335 0.000) 15.609 11.305 ( -11.153 -6.618 0.000) 12.969 11.761 ( -3.477 -3.835 0.000) 5.177 11.791 ( -5.755 -6.680 0.000) 8.817 12.064 ( 7.863 11.320 0.000) 13.783 12.176 ( -2.916 7.396 0.000) 7.950 12.245 ( -2.911 2.209 0.000) 3.654 12.320 ( -0.063 -12.907 0.000) 12.908 12.772 ( 8.479 0.562 0.000) 8.498 12.775 ( 8.653 1.098 0.000) 8.723 13.221 ( 2.801 9.596 0.000) 9.997 13.335 ( 0.574 0.766 0.000) 0.957 13.364 ( -6.880 -7.376 0.000) 10.087 13.444 ( 2.350 -7.143 0.000) 7.520 13.693 ( -5.561 2.171 0.000) 5.970 13.730 ( -9.625 -1.655 0.000) 9.766 14.319 ( -15.219 13.361 0.000) 20.252 14.376 ( -9.048 5.598 0.000) 10.640 14.519 ( -4.370 -6.509 0.000) 7.839 14.582 ( -15.635 -10.448 0.000) 18.805 15.888 ( 3.623 5.350 0.000) 6.461 16.010 ( 2.321 -6.158 0.000) 6.581 16.843 ( -8.339 9.925 0.000) 12.963 16.966 ( 0.210 10.602 0.000) 10.604 17.071 ( -13.553 -12.046 0.000) 18.132 17.193 ( -0.043 -10.535 0.000) 10.535 17.904 ( -9.072 7.006 0.000) 11.463 18.041 ( -7.659 -6.489 0.000) 10.038 18.241 ( 3.594 2.538 0.000) 4.399 18.267 ( 4.818 -0.340 0.000) 4.830 18.324 ( 16.174 9.072 0.000) 18.545 18.502 ( 4.437 -7.873 0.000) 9.038 18.509 ( 10.973 5.046 0.000) 12.078 18.617 ( 19.391 -4.875 0.000) 19.995 20.093 ( -24.031 0.752 0.000) 24.043 20.109 ( -21.285 -0.744 0.000) 21.298 20.752 ( 6.560 1.322 0.000) 6.692 20.779 ( 5.647 -1.211 0.000) 5.776 22.959 ( 5.631 3.677 0.000) 6.725 23.058 ( 2.892 -6.191 0.000) 6.833 23.383 ( -2.158 6.626 0.000) 6.969 23.490 ( -4.987 -3.992 0.000) 6.388 25.112 ( 9.689 3.008 0.000) 10.145 25.187 ( 8.921 -4.023 0.000) 9.786 25.731 ( -10.671 1.156 0.000) 10.733 25.744 ( -9.857 -0.217 0.000) 9.860 ======================= Grid point 16 (12/72) ======================= q-point: ( 0.45 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 1.264 2.062 0.000) 2.419 1.741 ( -3.117 -5.087 0.000) 5.966 1.891 ( 2.057 1.828 0.000) 2.751 1.903 ( -1.105 1.106 0.000) 1.564 2.161 ( 4.724 0.994 0.000) 4.828 2.198 ( 0.773 -2.723 0.000) 2.831 2.429 ( 0.809 1.927 0.000) 2.090 2.457 ( -1.761 -0.807 0.000) 1.937 3.177 ( 11.474 1.462 0.000) 11.567 3.204 ( 9.478 -1.090 0.000) 9.540 3.366 ( -6.079 1.237 0.000) 6.204 3.397 ( -8.093 -0.804 0.000) 8.133 3.516 ( 1.414 0.977 0.000) 1.719 3.593 ( -4.694 -5.251 0.000) 7.043 3.672 ( 2.915 3.583 0.000) 4.619 3.711 ( -0.929 -0.173 0.000) 0.946 4.259 ( 5.542 0.466 0.000) 5.561 4.303 ( 0.866 -3.493 0.000) 3.599 4.452 ( 5.595 1.865 0.000) 5.898 4.493 ( 2.736 -1.818 0.000) 3.285 4.537 ( -0.004 0.771 0.000) 0.771 4.547 ( 0.089 1.042 0.000) 1.046 4.643 ( 3.291 2.182 0.000) 3.949 4.651 ( 3.391 2.693 0.000) 4.331 4.930 ( 1.450 2.264 0.000) 2.689 4.980 ( -1.991 -2.400 0.000) 3.118 5.140 ( -1.609 0.165 0.000) 1.617 5.153 ( -2.635 -1.287 0.000) 2.933 5.239 ( -5.730 0.265 0.000) 5.736 5.244 ( -5.850 -0.156 0.000) 5.852 5.736 ( 7.243 -0.311 0.000) 7.250 5.750 ( 5.625 -1.628 0.000) 5.856 5.837 ( -2.787 -0.129 0.000) 2.790 5.843 ( -3.294 -0.686 0.000) 3.365 6.250 ( 0.541 1.479 0.000) 1.574 6.277 ( -2.077 -1.008 0.000) 2.309 6.917 ( 5.940 1.902 0.000) 6.237 6.976 ( 5.851 -3.619 0.000) 6.879 7.053 ( -6.995 1.031 0.000) 7.071 7.061 ( -0.574 0.661 0.000) 0.875 7.340 ( -3.212 -0.144 0.000) 3.215 7.352 ( -4.093 -0.826 0.000) 4.176 7.607 ( 11.259 2.724 0.000) 11.584 7.657 ( 5.843 -3.150 0.000) 6.639 7.790 ( -1.875 -1.011 0.000) 2.130 7.811 ( -3.089 -1.825 0.000) 3.587 7.989 ( -3.727 5.967 0.000) 7.036 8.036 ( -6.573 1.507 0.000) 6.744 8.820 ( 8.753 0.601 0.000) 8.773 8.854 ( 4.403 -2.662 0.000) 5.145 9.092 ( 3.023 0.326 0.000) 3.041 9.136 ( -1.638 -4.077 0.000) 4.394 9.588 ( 2.440 2.159 0.000) 3.258 9.620 ( 1.403 1.229 0.000) 1.865 9.687 ( 3.348 4.733 0.000) 5.797 9.811 ( -6.954 0.335 0.000) 6.962 9.916 ( 7.152 -3.889 0.000) 8.141 9.999 ( -1.348 -5.921 0.000) 6.073 10.289 ( -3.219 3.899 0.000) 5.057 10.321 ( -6.239 1.008 0.000) 6.320 10.634 ( 4.367 10.562 0.000) 11.429 10.789 ( -7.641 3.315 0.000) 8.329 10.967 ( 1.022 -4.993 0.000) 5.096 11.096 ( -9.541 -10.162 0.000) 13.939 11.674 ( -3.349 -6.767 0.000) 7.551 11.680 ( -3.963 -7.349 0.000) 8.350 12.126 ( -0.457 8.297 0.000) 8.310 12.134 ( -1.558 8.327 0.000) 8.472 12.304 ( 5.964 2.542 0.000) 6.483 12.349 ( 1.291 -3.160 0.000) 3.413 12.879 ( 2.865 2.827 0.000) 4.025 12.886 ( 2.510 2.998 0.000) 3.910 13.264 ( 0.840 1.535 0.000) 1.750 13.278 ( -1.994 -3.569 0.000) 4.088 13.393 ( 5.746 -0.520 0.000) 5.769 13.487 ( 1.913 -2.834 0.000) 3.419 13.549 ( -8.751 -2.699 0.000) 9.158 13.562 ( -6.469 -1.416 0.000) 6.622 14.128 ( -3.651 5.529 0.000) 6.626 14.167 ( -7.472 2.064 0.000) 7.752 14.457 ( -1.872 -3.388 0.000) 3.871 14.458 ( -2.059 -3.583 0.000) 4.132 15.973 ( 4.657 4.176 0.000) 6.255 16.034 ( -0.770 -1.060 0.000) 1.310 16.725 ( -1.074 -0.426 0.000) 1.155 16.821 ( -10.142 -9.100 0.000) 13.626 17.055 ( 6.460 10.618 0.000) 12.429 17.168 ( -4.089 1.045 0.000) 4.220 17.795 ( -0.774 0.536 0.000) 0.941 17.871 ( -7.609 -5.618 0.000) 9.458 18.317 ( 3.468 2.417 0.000) 4.227 18.356 ( 2.616 -0.279 0.000) 2.630 18.377 ( 0.390 1.979 0.000) 2.017 18.449 ( -3.940 -3.709 0.000) 5.411 19.004 ( 28.923 6.574 0.000) 29.661 19.132 ( 25.565 -5.448 0.000) 26.139 19.598 ( -25.811 3.424 0.000) 26.037 19.670 ( -23.668 -3.288 0.000) 23.895 20.839 ( 2.478 0.456 0.000) 2.520 20.848 ( 1.543 -0.380 0.000) 1.589 23.041 ( 3.157 1.630 0.000) 3.553 23.080 ( -0.603 -2.002 0.000) 2.091 23.365 ( 0.616 2.173 0.000) 2.259 23.407 ( -3.453 -1.728 0.000) 3.861 25.287 ( 8.210 1.053 0.000) 8.278 25.335 ( 5.485 -3.786 0.000) 6.665 25.543 ( -7.379 2.693 0.000) 7.855 25.568 ( -7.828 -0.039 0.000) 7.829 ======================= Grid point 33 (13/72) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.000 0.000 27.702) 27.702 0.645 ( 0.000 0.000 31.383) 31.383 1.125 ( 0.000 0.000 54.850) 54.850 1.216 ( 0.000 0.000 14.249) 14.249 1.505 ( 0.000 0.000 12.004) 12.004 1.587 ( 0.000 0.000 9.747) 9.747 1.603 ( 0.000 0.000 14.677) 14.677 2.427 ( 0.000 0.000 3.141) 3.141 2.432 ( 0.000 0.000 11.101) 11.101 2.660 ( 0.000 0.000 7.860) 7.860 2.827 ( 0.000 0.000 13.300) 13.300 2.995 ( 0.000 0.000 2.840) 2.840 3.065 ( 0.000 0.000 4.440) 4.440 3.120 ( 0.000 0.000 9.452) 9.452 3.600 ( 0.000 0.000 -2.987) 2.987 3.913 ( 0.000 0.000 -18.924) 18.924 4.005 ( 0.000 0.000 -3.562) 3.562 4.196 ( 0.000 0.000 -17.546) 17.546 4.295 ( 0.000 0.000 -18.179) 18.179 4.340 ( 0.000 0.000 -10.185) 10.185 4.404 ( 0.000 0.000 5.872) 5.872 4.471 ( 0.000 0.000 3.369) 3.369 4.531 ( 0.000 0.000 4.037) 4.037 4.627 ( 0.000 0.000 1.542) 1.542 4.842 ( 0.000 0.000 5.952) 5.952 5.150 ( 0.000 0.000 18.138) 18.138 5.172 ( 0.000 0.000 -3.780) 3.780 5.174 ( 0.000 0.000 2.825) 2.825 5.350 ( 0.000 0.000 19.767) 19.767 5.391 ( 0.000 0.000 17.236) 17.236 5.453 ( 0.000 0.000 3.049) 3.049 5.604 ( 0.000 0.000 13.785) 13.785 5.708 ( 0.000 0.000 -9.911) 9.911 5.953 ( 0.000 0.000 4.273) 4.273 6.172 ( 0.000 0.000 -3.229) 3.229 6.300 ( 0.000 0.000 5.902) 5.902 6.305 ( 0.000 0.000 -1.250) 1.250 6.586 ( 0.000 0.000 6.997) 6.997 6.870 ( 0.000 0.000 3.213) 3.213 7.012 ( 0.000 0.000 3.053) 3.053 7.428 ( 0.000 0.000 2.499) 2.499 7.534 ( 0.000 0.000 12.645) 12.645 7.554 ( 0.000 0.000 2.425) 2.425 7.683 ( 0.000 0.000 3.772) 3.772 7.810 ( 0.000 0.000 -0.876) 0.876 8.064 ( 0.000 0.000 -5.396) 5.396 8.070 ( 0.000 0.000 -7.880) 7.880 8.075 ( 0.000 0.000 -7.308) 7.308 8.503 ( 0.000 0.000 -5.474) 5.474 8.621 ( 0.000 0.000 2.258) 2.258 8.731 ( 0.000 0.000 -7.354) 7.354 8.881 ( 0.000 0.000 0.087) 0.087 9.065 ( 0.000 0.000 6.759) 6.759 10.064 ( 0.000 0.000 -19.018) 19.018 10.070 ( 0.000 0.000 3.534) 3.534 10.079 ( 0.000 0.000 -15.250) 15.250 10.239 ( 0.000 0.000 -8.828) 8.828 10.691 ( 0.000 0.000 -5.994) 5.994 10.697 ( 0.000 0.000 -0.709) 0.709 10.913 ( 0.000 0.000 4.138) 4.138 10.982 ( 0.000 0.000 2.456) 2.456 11.324 ( 0.000 0.000 -4.744) 4.744 11.453 ( 0.000 0.000 -2.030) 2.030 11.689 ( 0.000 0.000 -0.362) 0.362 11.812 ( 0.000 0.000 16.327) 16.327 11.973 ( 0.000 0.000 2.341) 2.341 12.000 ( 0.000 0.000 -2.104) 2.104 12.047 ( 0.000 0.000 -12.721) 12.721 12.141 ( 0.000 0.000 6.999) 6.999 12.616 ( 0.000 0.000 4.008) 4.008 12.630 ( 0.000 0.000 -0.829) 0.829 13.317 ( 0.000 0.000 5.266) 5.266 13.409 ( 0.000 0.000 -3.912) 3.912 13.610 ( 0.000 0.000 -14.557) 14.557 13.746 ( 0.000 0.000 -5.858) 5.858 13.798 ( 0.000 0.000 -2.013) 2.013 14.080 ( 0.000 0.000 7.779) 7.779 14.083 ( 0.000 0.000 5.451) 5.451 14.410 ( 0.000 0.000 8.937) 8.937 15.113 ( 0.000 0.000 -6.487) 6.487 15.222 ( 0.000 0.000 -4.162) 4.162 15.535 ( 0.000 0.000 2.953) 2.953 15.793 ( 0.000 0.000 -4.540) 4.540 15.851 ( 0.000 0.000 -6.994) 6.994 16.377 ( 0.000 0.000 17.876) 17.876 16.726 ( 0.000 0.000 -14.233) 14.233 16.738 ( 0.000 0.000 8.496) 8.496 17.356 ( 0.000 0.000 -35.506) 35.506 17.838 ( 0.000 0.000 -5.954) 5.954 17.899 ( 0.000 0.000 -8.366) 8.366 17.913 ( 0.000 0.000 -9.307) 9.307 18.306 ( 0.000 0.000 6.898) 6.898 18.404 ( 0.000 0.000 -4.902) 4.902 18.717 ( 0.000 0.000 11.062) 11.062 18.919 ( 0.000 0.000 1.762) 1.762 18.971 ( 0.000 0.000 2.516) 2.516 20.015 ( 0.000 0.000 3.784) 3.784 20.053 ( 0.000 0.000 6.119) 6.119 21.004 ( 0.000 0.000 -2.286) 2.286 21.077 ( 0.000 0.000 -2.305) 2.305 21.761 ( 0.000 0.000 21.708) 21.708 22.907 ( 0.000 0.000 1.655) 1.655 23.128 ( 0.000 0.000 -1.089) 1.089 23.746 ( 0.000 0.000 -7.282) 7.282 24.319 ( 0.000 0.000 6.974) 6.974 24.464 ( 0.000 0.000 9.086) 9.086 26.214 ( 0.000 0.000 -5.095) 5.095 26.233 ( 0.000 0.000 -4.894) 4.894 ======================= Grid point 34 (14/72) ======================= q-point: ( 0.09 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 15.338 0.000 21.663) 26.543 0.770 ( 16.512 0.000 19.878) 25.842 1.340 ( 10.865 0.000 11.668) 15.943 1.536 ( 32.155 0.000 37.439) 49.352 1.593 ( 8.677 0.000 11.684) 14.553 1.677 ( 8.991 0.000 7.651) 11.806 1.692 ( 8.742 0.000 14.335) 16.790 2.405 ( 4.699 0.000 4.317) 6.381 2.448 ( 1.998 0.000 7.945) 8.192 2.722 ( 1.632 0.000 5.936) 6.156 2.808 ( -2.218 0.000 10.753) 10.979 3.001 ( 3.742 0.000 -0.414) 3.765 3.164 ( 5.019 0.000 11.083) 12.167 3.186 ( 9.314 0.000 4.567) 10.374 3.617 ( 1.744 0.000 -1.022) 2.021 3.905 ( -1.416 0.000 -19.798) 19.848 3.999 ( -1.200 0.000 -6.057) 6.175 4.125 ( -4.377 0.000 -15.687) 16.286 4.141 ( -6.264 0.000 -9.985) 11.787 4.287 ( -5.842 0.000 3.609) 6.867 4.480 ( 8.494 0.000 -11.733) 14.485 4.506 ( -0.365 0.000 5.238) 5.250 4.558 ( 2.864 0.000 -3.363) 4.418 4.787 ( 5.598 0.000 7.963) 9.733 4.833 ( 5.452 0.000 1.220) 5.587 5.110 ( 0.599 0.000 13.834) 13.847 5.202 ( 0.966 0.000 0.473) 1.076 5.229 ( -5.012 0.000 12.840) 13.783 5.415 ( -0.392 0.000 -1.678) 1.723 5.481 ( 3.587 0.000 -1.131) 3.761 5.541 ( 8.681 0.000 23.493) 25.045 5.586 ( -0.331 0.000 9.974) 9.979 5.855 ( 5.315 0.000 -11.324) 12.509 5.988 ( 1.430 0.000 4.043) 4.288 6.180 ( 4.172 0.000 -3.487) 5.437 6.355 ( 2.924 0.000 -3.403) 4.487 6.381 ( 9.709 0.000 -0.790) 9.741 6.636 ( 5.184 0.000 6.252) 8.122 6.863 ( -0.868 0.000 4.722) 4.801 7.105 ( 6.544 0.000 -3.026) 7.210 7.348 ( -4.220 0.000 2.135) 4.729 7.414 ( -3.918 0.000 0.573) 3.960 7.702 ( 5.186 0.000 10.474) 11.688 7.709 ( 0.647 0.000 2.720) 2.796 7.827 ( 2.617 0.000 -2.280) 3.471 7.915 ( -8.187 0.000 -9.348) 12.426 8.024 ( -3.573 0.000 -3.190) 4.790 8.131 ( 1.647 0.000 5.916) 6.141 8.457 ( -4.136 0.000 -3.502) 5.419 8.683 ( 3.143 0.000 2.325) 3.909 8.706 ( -2.193 0.000 -6.492) 6.852 8.827 ( -2.270 0.000 -2.531) 3.400 9.089 ( 3.489 0.000 5.054) 6.142 9.982 ( -5.472 0.000 -8.641) 10.228 10.047 ( -1.856 0.000 -12.755) 12.889 10.122 ( 0.817 0.000 -0.491) 0.953 10.344 ( 7.695 0.000 -11.810) 14.096 10.544 ( -10.895 0.000 -4.665) 11.852 10.697 ( -2.713 0.000 -1.975) 3.356 10.873 ( -3.849 0.000 5.868) 7.018 10.933 ( -8.952 0.000 8.255) 12.177 11.171 ( -17.898 0.000 3.368) 18.212 11.304 ( -8.503 0.000 4.345) 9.549 11.751 ( -5.020 0.000 22.942) 23.485 11.771 ( 7.613 0.000 -2.315) 7.957 11.902 ( -7.916 0.000 -2.514) 8.306 11.935 ( -5.420 0.000 -4.567) 7.088 12.013 ( -2.267 0.000 -10.593) 10.833 12.234 ( 9.648 0.000 8.772) 13.040 12.479 ( -15.160 0.000 23.172) 27.691 12.566 ( -4.416 0.000 2.629) 5.139 12.610 ( -7.303 0.000 4.096) 8.373 13.326 ( 0.846 0.000 5.896) 5.956 13.536 ( -4.322 0.000 -9.755) 10.669 13.555 ( -13.417 0.000 -7.884) 15.562 13.707 ( -2.278 0.000 -0.132) 2.282 14.125 ( -1.080 0.000 -1.186) 1.604 14.219 ( 10.429 0.000 3.283) 10.934 14.435 ( 2.470 0.000 7.934) 8.310 14.871 ( -29.796 0.000 -0.960) 29.811 15.307 ( -19.940 0.000 0.499) 19.946 15.732 ( 6.565 0.000 -2.681) 7.092 15.932 ( -4.541 0.000 0.236) 4.547 16.043 ( 23.092 0.000 -9.413) 24.937 16.236 ( 31.795 0.000 -15.451) 35.351 16.546 ( -19.338 0.000 -11.996) 22.757 17.416 ( 2.181 0.000 -23.113) 23.215 17.437 ( 15.333 0.000 -8.538) 17.550 17.611 ( -21.697 0.000 -6.912) 22.772 17.872 ( -1.448 0.000 -6.304) 6.468 17.890 ( 3.965 0.000 -6.291) 7.436 18.201 ( -8.009 0.000 -10.539) 13.237 18.269 ( -3.278 0.000 4.850) 5.854 18.747 ( -2.444 0.000 7.344) 7.740 18.832 ( -8.206 0.000 3.349) 8.863 19.094 ( 2.464 0.000 11.780) 12.035 19.926 ( 3.903 0.000 -8.811) 9.637 20.299 ( 14.083 0.000 9.297) 16.875 20.791 ( -13.884 0.000 -10.029) 17.128 21.114 ( -0.655 0.000 3.991) 4.045 22.003 ( 21.738 0.000 14.538) 26.151 22.975 ( 6.364 0.000 2.478) 6.829 23.183 ( 4.384 0.000 -9.867) 10.797 23.801 ( -3.828 0.000 -6.155) 7.248 24.525 ( 18.051 0.000 6.065) 19.042 24.534 ( 6.939 0.000 8.773) 11.186 26.174 ( -4.201 0.000 -5.031) 6.555 26.191 ( -4.333 0.000 -4.806) 6.471 ======================= Grid point 35 (15/72) ======================= q-point: ( 0.18 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 19.039 0.000 15.195) 24.360 1.190 ( 23.830 0.000 5.472) 24.450 1.555 ( 10.165 0.000 7.928) 12.891 1.762 ( 8.434 0.000 5.788) 10.229 1.874 ( 9.373 0.000 12.387) 15.533 1.910 ( 14.091 0.000 5.362) 15.076 2.198 ( 30.561 0.000 18.779) 35.870 2.520 ( 5.373 0.000 1.512) 5.582 2.572 ( 11.349 0.000 3.139) 11.775 2.730 ( -0.237 0.000 5.770) 5.775 2.741 ( -4.194 0.000 6.926) 8.097 3.159 ( 12.009 0.000 -1.959) 12.168 3.316 ( 10.071 0.000 11.386) 15.201 3.334 ( 5.285 0.000 -0.085) 5.286 3.717 ( 8.910 0.000 1.313) 9.006 3.846 ( -4.759 0.000 -22.068) 22.576 3.937 ( -4.286 0.000 -9.400) 10.331 4.055 ( -2.433 0.000 -8.164) 8.518 4.065 ( -3.620 0.000 -13.016) 13.510 4.194 ( -2.584 0.000 -1.675) 3.079 4.467 ( -2.469 0.000 3.156) 4.007 4.601 ( 1.193 0.000 -2.743) 2.991 4.606 ( 0.709 0.000 -2.011) 2.132 4.771 ( 0.250 0.000 4.377) 4.384 5.065 ( 10.065 0.000 0.109) 10.065 5.123 ( -0.696 0.000 17.841) 17.855 5.147 ( 2.548 0.000 3.726) 4.514 5.267 ( 2.506 0.000 -4.224) 4.911 5.391 ( -1.465 0.000 5.184) 5.387 5.455 ( -4.690 0.000 -3.431) 5.811 5.569 ( 0.724 0.000 12.020) 12.042 5.727 ( 8.095 0.000 15.829) 17.779 5.787 ( -8.348 0.000 -2.093) 8.606 5.972 ( -1.802 0.000 3.381) 3.831 6.238 ( -0.821 0.000 2.754) 2.874 6.427 ( 5.833 0.000 -3.570) 6.839 6.672 ( 16.282 0.000 0.856) 16.305 6.754 ( 7.280 0.000 3.834) 8.228 6.845 ( 0.017 0.000 8.004) 8.004 7.066 ( -7.435 0.000 1.000) 7.502 7.410 ( 5.501 0.000 -0.183) 5.504 7.411 ( 4.563 0.000 -4.762) 6.595 7.684 ( -1.646 0.000 0.241) 1.664 7.723 ( -1.243 0.000 6.766) 6.879 7.814 ( -2.751 0.000 -4.748) 5.488 7.884 ( 1.417 0.000 -5.560) 5.737 7.944 ( -5.013 0.000 0.677) 5.058 8.152 ( -0.004 0.000 10.438) 10.438 8.385 ( -2.161 0.000 2.876) 3.597 8.675 ( -0.203 0.000 -3.452) 3.458 8.696 ( 2.217 0.000 3.888) 4.475 8.898 ( 6.891 0.000 -9.306) 11.579 9.176 ( 4.621 0.000 3.238) 5.643 9.872 ( -5.850 0.000 -7.982) 9.897 9.991 ( -3.598 0.000 4.103) 5.457 10.062 ( -8.904 0.000 2.848) 9.349 10.347 ( -6.629 0.000 -5.634) 8.700 10.431 ( -0.275 0.000 -8.014) 8.019 10.575 ( -16.859 0.000 12.812) 21.175 10.609 ( -6.423 0.000 0.580) 6.450 10.801 ( -2.173 0.000 6.330) 6.692 11.077 ( 2.351 0.000 -8.851) 9.158 11.142 ( -9.770 0.000 3.968) 10.545 11.696 ( -0.577 0.000 17.096) 17.105 11.757 ( -9.983 0.000 -3.618) 10.619 11.792 ( -4.178 0.000 -4.852) 6.403 11.931 ( 0.501 0.000 -10.511) 10.523 12.006 ( 7.015 0.000 -11.780) 13.710 12.467 ( 4.817 0.000 7.554) 8.959 12.469 ( -3.884 0.000 3.488) 5.220 12.473 ( -8.091 0.000 -0.176) 8.093 12.476 ( 12.623 0.000 6.386) 14.147 13.269 ( -14.609 0.000 -5.310) 15.544 13.347 ( 1.248 0.000 6.123) 6.249 13.501 ( 0.559 0.000 -6.263) 6.288 13.658 ( -2.958 0.000 1.476) 3.306 14.035 ( -8.935 0.000 -5.085) 10.280 14.286 ( -26.262 0.000 5.009) 26.735 14.373 ( 4.073 0.000 1.249) 4.260 14.500 ( 3.493 0.000 4.463) 5.668 14.900 ( -19.487 0.000 -0.208) 19.488 15.763 ( -0.059 0.000 0.658) 0.660 15.930 ( 3.815 0.000 -1.445) 4.079 15.981 ( -36.798 0.000 -4.877) 37.120 16.570 ( 30.293 0.000 -10.738) 32.140 16.847 ( 25.369 0.000 -16.774) 30.413 17.154 ( -19.355 0.000 -8.327) 21.070 17.364 ( -8.961 0.000 -7.585) 11.740 17.446 ( -2.422 0.000 -7.075) 7.478 17.874 ( 0.531 0.000 -10.070) 10.084 18.073 ( 10.979 0.000 0.234) 10.982 18.089 ( -4.572 0.000 -12.345) 13.164 18.178 ( -6.639 0.000 3.416) 7.466 18.650 ( -8.495 0.000 6.474) 10.681 18.664 ( -5.481 0.000 7.864) 9.586 18.952 ( -13.679 0.000 9.809) 16.832 20.138 ( 14.322 0.000 -12.485) 19.000 20.502 ( -16.399 0.000 -15.424) 22.513 20.552 ( 11.561 0.000 7.546) 13.806 21.030 ( -8.323 0.000 8.967) 12.234 22.447 ( 21.264 0.000 5.343) 21.925 23.110 ( 6.565 0.000 3.713) 7.542 23.244 ( 1.371 0.000 -4.321) 4.533 23.689 ( -5.393 0.000 -5.321) 7.576 24.710 ( 10.427 0.000 6.947) 12.529 24.840 ( 13.734 0.000 5.260) 14.707 26.056 ( -7.674 0.000 -4.826) 9.065 26.070 ( -8.018 0.000 -4.595) 9.241 ======================= Grid point 36 (16/72) ======================= q-point: ( 0.27 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 16.634 0.000 11.008) 19.947 1.618 ( 18.403 0.000 1.782) 18.489 1.723 ( 7.653 0.000 5.600) 9.483 1.848 ( 1.015 0.000 4.951) 5.054 2.046 ( 8.321 0.000 10.442) 13.352 2.176 ( 12.261 0.000 5.595) 13.478 2.559 ( 3.469 0.000 -1.401) 3.741 2.607 ( 0.310 0.000 3.631) 3.644 2.657 ( 0.064 0.000 0.093) 0.113 2.712 ( 5.043 0.000 -2.996) 5.866 2.932 ( 20.087 0.000 9.331) 22.148 3.409 ( 7.714 0.000 -7.724) 10.916 3.441 ( 9.850 0.000 4.526) 10.840 3.488 ( 4.695 0.000 4.497) 6.502 3.714 ( -8.526 0.000 -17.290) 19.278 3.891 ( 10.040 0.000 -10.724) 14.690 3.897 ( 0.436 0.000 -10.406) 10.415 3.948 ( -6.142 0.000 -9.257) 11.109 4.134 ( 11.203 0.000 5.280) 12.385 4.200 ( 2.650 0.000 -8.044) 8.469 4.428 ( -1.601 0.000 2.076) 2.622 4.552 ( -4.257 0.000 5.338) 6.828 4.585 ( -1.740 0.000 -2.617) 3.143 4.752 ( -3.248 0.000 4.264) 5.360 5.146 ( 3.599 0.000 4.102) 5.457 5.180 ( -0.306 0.000 -1.814) 1.840 5.235 ( 1.640 0.000 3.837) 4.173 5.281 ( -8.655 0.000 7.653) 11.553 5.307 ( 5.216 0.000 -3.735) 6.415 5.392 ( -2.696 0.000 -3.070) 4.086 5.592 ( -11.254 0.000 -1.069) 11.305 5.635 ( 7.031 0.000 11.599) 13.563 5.849 ( 4.269 0.000 7.430) 8.569 5.958 ( 0.045 0.000 5.045) 5.045 6.199 ( -1.570 0.000 1.354) 2.073 6.521 ( 2.429 0.000 7.586) 7.965 6.840 ( 5.292 0.000 9.747) 11.091 6.916 ( 3.844 0.000 3.755) 5.374 6.924 ( -1.756 0.000 0.173) 1.764 6.971 ( 10.792 0.000 3.191) 11.254 7.418 ( -4.429 0.000 2.961) 5.328 7.542 ( 0.929 0.000 0.020) 0.929 7.701 ( 2.926 0.000 -0.718) 3.013 7.717 ( -0.611 0.000 4.352) 4.394 7.783 ( -0.699 0.000 1.107) 1.310 7.818 ( -2.566 0.000 -8.447) 8.828 7.943 ( 8.110 0.000 -2.695) 8.546 8.124 ( -2.404 0.000 10.762) 11.027 8.380 ( 1.103 0.000 7.978) 8.054 8.713 ( 3.828 0.000 -0.761) 3.902 8.825 ( 10.096 0.000 2.153) 10.323 9.042 ( 8.141 0.000 -9.920) 12.833 9.243 ( 1.840 0.000 0.993) 2.091 9.739 ( -8.948 0.000 -4.679) 10.098 9.836 ( -10.285 0.000 -0.444) 10.294 9.934 ( -1.471 0.000 17.906) 17.966 10.289 ( -1.418 0.000 -4.350) 4.576 10.304 ( -8.543 0.000 3.122) 9.096 10.405 ( -5.243 0.000 -1.122) 5.362 10.465 ( -7.620 0.000 4.691) 8.948 10.813 ( 3.283 0.000 3.336) 4.681 10.890 ( -14.421 0.000 7.276) 16.152 11.134 ( -0.554 0.000 -11.022) 11.036 11.556 ( -10.297 0.000 -3.801) 10.976 11.697 ( 0.752 0.000 -2.988) 3.082 11.775 ( 3.024 0.000 4.168) 5.149 11.871 ( -4.269 0.000 -13.481) 14.140 12.157 ( 2.202 0.000 -8.721) 8.995 12.291 ( -9.718 0.000 -2.261) 9.978 12.396 ( 1.009 0.000 -2.485) 2.682 12.530 ( -0.905 0.000 1.010) 1.356 12.736 ( 11.827 0.000 6.665) 13.576 13.064 ( -4.567 0.000 -2.018) 4.993 13.377 ( 2.021 0.000 4.781) 5.190 13.535 ( 2.232 0.000 -4.715) 5.217 13.575 ( -6.639 0.000 -0.058) 6.640 13.779 ( -12.760 0.000 -1.491) 12.847 13.952 ( -11.355 0.000 2.804) 11.696 14.346 ( -8.731 0.000 -2.987) 9.228 14.473 ( -4.683 0.000 4.740) 6.663 14.682 ( -2.808 0.000 2.879) 4.022 15.250 ( -35.920 0.000 -0.400) 35.922 15.770 ( 0.993 0.000 -1.349) 1.675 16.015 ( 4.148 0.000 -1.829) 4.534 16.847 ( -11.769 0.000 -4.688) 12.669 16.965 ( -5.622 0.000 -2.139) 6.015 17.146 ( 20.549 0.000 -7.422) 21.848 17.378 ( -4.764 0.000 -4.331) 6.439 17.466 ( 18.183 0.000 -23.362) 29.604 17.815 ( -6.277 0.000 -12.786) 14.244 18.036 ( -5.111 0.000 -0.799) 5.173 18.076 ( 3.317 0.000 -7.603) 8.295 18.265 ( 6.709 0.000 -3.851) 7.736 18.515 ( -11.579 0.000 11.929) 16.624 18.616 ( 8.319 0.000 16.477) 18.458 18.693 ( -10.083 0.000 -1.050) 10.138 20.152 ( -19.820 0.000 -17.663) 26.549 20.403 ( 12.362 0.000 -10.835) 16.438 20.733 ( 6.959 0.000 3.983) 8.018 20.793 ( -15.932 0.000 12.706) 20.379 22.778 ( 13.055 0.000 3.401) 13.491 23.203 ( 2.792 0.000 4.577) 5.361 23.255 ( 0.533 0.000 -0.350) 0.638 23.599 ( -4.396 0.000 -4.263) 6.124 24.909 ( 9.776 0.000 3.598) 10.417 25.064 ( 9.790 0.000 2.272) 10.050 25.888 ( -9.465 0.000 -4.634) 10.539 25.889 ( -10.467 0.000 -4.323) 11.324 ======================= Grid point 37 (17/72) ======================= q-point: ( 0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 9.995 0.000 4.464) 10.946 1.727 ( -2.283 0.000 5.990) 6.410 1.878 ( 8.158 0.000 8.868) 12.050 2.008 ( 12.128 0.000 4.003) 12.771 2.147 ( -0.206 0.000 9.809) 9.811 2.344 ( 5.019 0.000 4.058) 6.454 2.389 ( -10.814 0.000 3.465) 11.355 2.589 ( -0.523 0.000 7.477) 7.495 2.800 ( 9.558 0.000 -10.269) 14.029 2.894 ( 11.828 0.000 -9.287) 15.038 3.259 ( 10.794 0.000 -4.324) 11.628 3.437 ( -7.666 0.000 -9.263) 12.024 3.450 ( 0.946 0.000 -8.752) 8.803 3.555 ( -7.396 0.000 -6.564) 9.889 3.634 ( 8.033 0.000 5.734) 9.870 3.748 ( -10.180 0.000 -10.117) 14.352 4.066 ( 10.485 0.000 -4.443) 11.388 4.190 ( 17.035 0.000 -8.518) 19.045 4.287 ( 6.298 0.000 -6.912) 9.351 4.354 ( 6.185 0.000 -8.964) 10.890 4.420 ( 4.750 0.000 8.352) 9.609 4.463 ( -4.861 0.000 1.471) 5.078 4.605 ( 5.188 0.000 4.496) 6.865 4.667 ( -5.138 0.000 4.075) 6.558 5.046 ( -9.415 0.000 -3.085) 9.908 5.156 ( -2.838 0.000 -2.214) 3.600 5.190 ( -2.013 0.000 -3.051) 3.655 5.200 ( -2.849 0.000 8.697) 9.151 5.274 ( -9.871 0.000 -1.455) 9.977 5.384 ( -9.407 0.000 -2.885) 9.839 5.495 ( 11.071 0.000 2.518) 11.354 5.803 ( 7.806 0.000 11.652) 14.025 5.890 ( 0.329 0.000 4.007) 4.021 5.953 ( -0.018 0.000 4.617) 4.617 6.210 ( 2.995 0.000 3.579) 4.666 6.515 ( -2.627 0.000 11.293) 11.594 6.874 ( -0.319 0.000 2.290) 2.312 6.972 ( 3.574 0.000 4.253) 5.555 6.999 ( 10.237 0.000 12.493) 16.152 7.242 ( 2.460 0.000 6.582) 7.027 7.306 ( 3.965 0.000 -3.605) 5.359 7.441 ( -7.437 0.000 -0.760) 7.476 7.575 ( -8.763 0.000 4.065) 9.661 7.733 ( -1.115 0.000 -3.404) 3.582 7.812 ( 4.624 0.000 8.350) 9.545 7.819 ( -0.641 0.000 -5.746) 5.781 8.078 ( -2.252 0.000 12.355) 12.559 8.180 ( 3.854 0.000 5.034) 6.340 8.482 ( 13.963 0.000 1.013) 13.999 8.800 ( 4.639 0.000 -1.539) 4.888 9.011 ( 7.313 0.000 4.366) 8.517 9.237 ( -0.397 0.000 0.134) 0.419 9.253 ( 12.851 0.000 -12.233) 17.742 9.580 ( -4.798 0.000 -2.769) 5.539 9.697 ( -5.553 0.000 0.572) 5.582 9.945 ( 1.612 0.000 18.480) 18.550 10.168 ( -5.517 0.000 2.764) 6.171 10.254 ( -2.330 0.000 -0.355) 2.357 10.301 ( -5.409 0.000 8.226) 9.845 10.338 ( -5.370 0.000 1.377) 5.544 10.630 ( -10.723 0.000 4.226) 11.525 10.916 ( 7.014 0.000 1.034) 7.090 11.002 ( -12.125 0.000 -3.826) 12.714 11.370 ( -8.682 0.000 -1.801) 8.867 11.766 ( 4.783 0.000 -7.716) 9.078 11.787 ( -4.053 0.000 -14.180) 14.748 11.853 ( 4.021 0.000 -2.064) 4.520 12.035 ( -11.072 0.000 -3.787) 11.702 12.134 ( -5.039 0.000 -4.964) 7.073 12.438 ( -6.611 0.000 -2.883) 7.212 12.538 ( 10.100 0.000 -9.064) 13.570 12.894 ( 3.627 0.000 4.316) 5.638 13.084 ( 4.354 0.000 -1.701) 4.674 13.406 ( -8.914 0.000 -6.236) 10.878 13.429 ( 3.418 0.000 3.627) 4.984 13.564 ( 0.350 0.000 -5.208) 5.220 13.633 ( -4.139 0.000 4.877) 6.396 13.759 ( -8.544 0.000 3.936) 9.407 14.147 ( -7.917 0.000 -0.283) 7.922 14.385 ( -7.049 0.000 6.589) 9.649 14.615 ( -6.402 0.000 2.294) 6.801 14.697 ( -17.610 0.000 0.808) 17.628 15.809 ( 3.203 0.000 -2.697) 4.187 16.062 ( 0.065 0.000 -2.084) 2.085 16.724 ( -0.662 0.000 -1.522) 1.660 16.849 ( -3.419 0.000 -0.020) 3.419 17.219 ( -8.512 0.000 -1.233) 8.601 17.241 ( -9.757 0.000 -4.929) 10.931 17.721 ( -1.854 0.000 -8.066) 8.276 17.938 ( 22.519 0.000 -20.654) 30.557 18.073 ( 9.560 0.000 -10.204) 13.982 18.121 ( -4.366 0.000 -5.166) 6.764 18.288 ( -4.691 0.000 4.340) 6.391 18.331 ( 4.040 0.000 -8.612) 9.513 18.563 ( -5.124 0.000 -2.351) 5.637 18.965 ( 24.055 0.000 19.357) 30.876 19.736 ( -23.085 0.000 -18.539) 29.608 20.428 ( -21.402 0.000 14.876) 26.064 20.608 ( 8.882 0.000 -9.112) 12.725 20.820 ( 2.163 0.000 0.057) 2.164 22.971 ( 7.519 0.000 4.766) 8.902 23.218 ( -1.084 0.000 5.470) 5.577 23.280 ( 2.135 0.000 -0.107) 2.138 23.509 ( -4.872 0.000 -1.986) 5.262 25.087 ( 8.909 0.000 0.424) 8.919 25.230 ( 7.728 0.000 -0.540) 7.747 25.676 ( -11.335 0.000 -3.912) 11.991 25.702 ( -9.513 0.000 -4.290) 10.436 ======================= Grid point 38 (18/72) ======================= q-point: ( 0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 5.482 0.000 8.261) 9.915 1.856 ( 7.470 0.000 2.393) 7.844 1.941 ( -13.561 0.000 8.230) 15.863 1.958 ( -1.452 0.000 7.159) 7.305 2.213 ( 6.570 0.000 5.899) 8.830 2.295 ( -2.349 0.000 5.668) 6.135 2.439 ( 6.346 0.000 4.358) 7.698 2.555 ( -4.123 0.000 8.048) 9.043 3.006 ( 11.511 0.000 -13.363) 17.638 3.127 ( 10.947 0.000 -8.903) 14.110 3.220 ( -9.556 0.000 -15.092) 17.863 3.289 ( -6.977 0.000 -8.677) 11.134 3.456 ( -1.063 0.000 -5.780) 5.877 3.552 ( -9.370 0.000 -9.048) 13.025 3.604 ( 10.010 0.000 -1.174) 10.079 3.716 ( -0.637 0.000 1.631) 1.751 4.242 ( 7.360 0.000 -5.646) 9.276 4.360 ( 3.403 0.000 -8.455) 9.115 4.363 ( -5.508 0.000 -2.887) 6.219 4.405 ( 0.215 0.000 -7.249) 7.252 4.431 ( 7.716 0.000 -2.535) 8.121 4.562 ( -5.817 0.000 1.212) 5.942 4.624 ( 10.880 0.000 1.512) 10.985 4.726 ( 2.660 0.000 6.073) 6.630 4.957 ( 2.202 0.000 2.716) 3.496 5.079 ( -7.267 0.000 12.495) 14.455 5.119 ( -0.116 0.000 -4.483) 4.485 5.127 ( -3.416 0.000 -8.616) 9.268 5.147 ( -2.446 0.000 -4.312) 4.958 5.208 ( -8.773 0.000 -3.286) 9.368 5.682 ( 7.826 0.000 2.539) 8.228 5.802 ( -4.783 0.000 2.889) 5.588 5.953 ( 3.320 0.000 11.027) 11.516 5.970 ( 0.983 0.000 6.555) 6.628 6.307 ( 6.387 0.000 8.414) 10.563 6.431 ( -5.838 0.000 11.411) 12.818 6.925 ( 5.525 0.000 2.364) 6.009 7.069 ( 5.941 0.000 4.827) 7.655 7.076 ( -9.570 0.000 2.994) 10.027 7.142 ( 1.535 0.000 9.374) 9.499 7.340 ( -0.783 0.000 -0.218) 0.813 7.422 ( -7.017 0.000 4.136) 8.145 7.537 ( 10.094 0.000 -1.725) 10.240 7.675 ( -4.751 0.000 -2.297) 5.277 7.865 ( 7.251 0.000 0.022) 7.251 7.924 ( 6.172 0.000 10.963) 12.581 8.024 ( -3.808 0.000 13.326) 13.860 8.067 ( -11.052 0.000 5.794) 12.478 8.775 ( 11.052 0.000 -4.053) 11.772 8.865 ( 0.825 0.000 -2.807) 2.926 9.108 ( 3.707 0.000 0.541) 3.746 9.177 ( -3.630 0.000 -1.403) 3.892 9.565 ( 1.949 0.000 0.265) 1.967 9.581 ( 17.978 0.000 -5.201) 18.715 9.613 ( -3.030 0.000 2.759) 4.098 9.879 ( -10.761 0.000 5.085) 11.902 10.128 ( 1.653 0.000 8.710) 8.865 10.194 ( -5.039 0.000 14.054) 14.930 10.217 ( -0.544 0.000 1.440) 1.540 10.251 ( -3.601 0.000 -1.375) 3.854 10.554 ( 3.891 0.000 2.959) 4.888 10.738 ( -13.302 0.000 1.863) 13.432 11.068 ( 8.232 0.000 -0.102) 8.232 11.219 ( -7.366 0.000 0.112) 7.367 11.740 ( 0.092 0.000 -12.576) 12.576 11.825 ( -8.807 0.000 -7.922) 11.846 11.827 ( 2.062 0.000 -4.976) 5.387 11.870 ( -2.168 0.000 -4.732) 5.205 12.164 ( 7.057 0.000 -8.722) 11.219 12.309 ( -6.956 0.000 -6.180) 9.305 12.727 ( 9.015 0.000 -5.927) 10.789 12.871 ( -5.240 0.000 -0.214) 5.245 13.171 ( 4.295 0.000 -5.674) 7.116 13.264 ( -5.802 0.000 -8.180) 10.029 13.498 ( 3.249 0.000 1.194) 3.461 13.547 ( -1.820 0.000 -3.543) 3.983 13.589 ( -0.064 0.000 7.349) 7.349 13.634 ( -4.421 0.000 7.713) 8.891 14.087 ( 1.521 0.000 3.069) 3.425 14.193 ( -9.287 0.000 6.023) 11.070 14.505 ( -1.398 0.000 0.590) 1.517 14.540 ( -4.494 0.000 3.657) 5.794 15.896 ( 5.683 0.000 -2.969) 6.412 16.009 ( -5.128 0.000 -2.556) 5.730 16.809 ( 8.624 0.000 -1.010) 8.683 16.864 ( 4.839 0.000 0.739) 4.895 17.016 ( -10.277 0.000 0.918) 10.318 17.020 ( -12.188 0.000 -2.882) 12.524 17.757 ( 5.387 0.000 -5.145) 7.449 17.919 ( -10.944 0.000 -2.701) 11.273 18.134 ( 5.302 0.000 -13.892) 14.870 18.201 ( -1.124 0.000 -11.820) 11.874 18.351 ( 5.898 0.000 -2.987) 6.611 18.463 ( -5.463 0.000 -2.799) 6.138 18.686 ( 28.323 0.000 -16.077) 32.568 19.217 ( -23.127 0.000 -14.945) 27.536 19.498 ( 22.490 0.000 13.858) 26.417 19.980 ( -24.639 0.000 15.874) 29.309 20.747 ( 5.529 0.000 -6.863) 8.813 20.821 ( -2.006 0.000 -3.730) 4.235 23.089 ( 5.023 0.000 5.971) 7.802 23.171 ( -3.511 0.000 6.128) 7.063 23.336 ( 3.606 0.000 -0.398) 3.628 23.416 ( -4.599 0.000 -0.817) 4.671 25.263 ( 9.551 0.000 -1.783) 9.716 25.375 ( 7.471 0.000 -2.425) 7.855 25.460 ( -10.777 0.000 -3.144) 11.226 25.527 ( -8.458 0.000 -3.605) 9.195 ======================= Grid point 44 (19/72) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.000 15.931 16.913) 23.235 0.774 ( 0.000 10.865 23.919) 26.271 1.089 ( 0.000 -9.804 19.183) 21.543 1.212 ( 0.000 -18.405 14.130) 23.203 1.501 ( 0.000 32.125 38.861) 50.421 1.693 ( 0.000 7.318 13.999) 15.796 1.739 ( 0.000 3.727 10.800) 11.425 2.181 ( 0.000 -29.665 17.629) 34.507 2.334 ( 0.000 -5.155 7.934) 9.462 2.362 ( 0.000 -12.342 13.231) 18.094 2.914 ( 0.000 10.616 13.877) 17.472 3.028 ( 0.000 2.944 1.695) 3.397 3.084 ( 0.000 -4.688 10.089) 11.125 3.104 ( 0.000 -2.329 -2.088) 3.128 3.797 ( 0.000 11.968 -10.595) 15.984 3.920 ( 0.000 -0.940 -18.316) 18.340 4.066 ( 0.000 4.145 -6.277) 7.523 4.137 ( 0.000 -7.467 -10.775) 13.110 4.212 ( 0.000 3.770 -12.000) 12.579 4.345 ( 0.000 -4.393 -10.017) 10.938 4.390 ( 0.000 1.048 4.079) 4.212 4.426 ( 0.000 -2.932 2.641) 3.946 4.576 ( 0.000 8.450 5.229) 9.937 4.758 ( 0.000 -2.915 7.941) 8.459 4.791 ( 0.000 2.182 0.899) 2.360 4.961 ( 0.000 -10.532 0.810) 10.563 5.095 ( 0.000 1.879 14.698) 14.817 5.231 ( 0.000 -9.675 9.735) 13.725 5.344 ( 0.000 5.605 4.411) 7.132 5.380 ( 0.000 0.818 14.273) 14.297 5.532 ( 0.000 4.975 15.643) 16.415 5.646 ( 0.000 -5.060 3.138) 5.954 5.727 ( 0.000 9.662 4.401) 10.617 5.905 ( 0.000 -7.874 5.287) 9.484 6.165 ( 0.000 0.923 -0.231) 0.951 6.254 ( 0.000 -5.776 0.600) 5.807 6.353 ( 0.000 7.097 5.509) 8.985 6.516 ( 0.000 -6.829 5.926) 9.042 6.827 ( 0.000 -2.268 8.295) 8.599 6.858 ( 0.000 -1.857 3.462) 3.929 7.404 ( 0.000 2.700 3.236) 4.215 7.479 ( 0.000 -4.248 6.952) 8.147 7.714 ( 0.000 3.264 11.557) 12.009 7.715 ( 0.000 1.906 10.513) 10.685 7.863 ( 0.000 5.310 -1.828) 5.616 7.991 ( 0.000 -6.452 -3.909) 7.544 8.082 ( 0.000 0.921 -8.377) 8.428 8.093 ( 0.000 0.118 -9.611) 9.611 8.523 ( 0.000 5.207 -8.724) 10.160 8.658 ( 0.000 -6.761 -8.799) 11.096 8.698 ( 0.000 5.885 1.477) 6.067 8.819 ( 0.000 -5.689 0.739) 5.737 9.368 ( 0.000 20.002 -15.499) 25.304 9.734 ( 0.000 -18.171 -18.580) 25.988 10.109 ( 0.000 3.035 -3.621) 4.724 10.165 ( 0.000 -2.260 -12.913) 13.109 10.362 ( 0.000 10.077 -5.013) 11.255 10.557 ( 0.000 -10.056 -3.822) 10.758 10.843 ( 0.000 9.575 1.228) 9.654 10.953 ( 0.000 -3.128 2.362) 3.920 10.998 ( 0.000 10.916 -0.813) 10.946 11.264 ( 0.000 -9.554 -5.478) 11.013 11.515 ( 0.000 5.896 -3.096) 6.659 11.670 ( 0.000 -7.052 -1.987) 7.327 11.821 ( 0.000 0.858 11.937) 11.968 11.860 ( 0.000 -6.572 0.103) 6.573 12.026 ( 0.000 0.155 -0.623) 0.642 12.029 ( 0.000 3.056 2.639) 4.038 12.136 ( 0.000 2.556 12.830) 13.082 12.377 ( 0.000 -23.984 31.424) 39.531 12.612 ( 0.000 -0.010 2.024) 2.024 12.622 ( 0.000 -0.709 -0.069) 0.713 13.619 ( 0.000 0.861 -14.552) 14.578 13.636 ( 0.000 -0.471 -14.101) 14.109 13.837 ( 0.000 8.278 0.829) 8.320 14.005 ( 0.000 -7.419 4.386) 8.618 14.153 ( 0.000 7.034 7.603) 10.358 14.314 ( 0.000 -8.197 8.072) 11.504 14.691 ( 0.000 36.530 -31.751) 48.400 15.085 ( 0.000 -8.180 -19.002) 20.688 15.279 ( 0.000 7.959 3.201) 8.579 15.452 ( 0.000 -7.785 3.136) 8.393 15.788 ( 0.000 0.103 -3.917) 3.919 15.816 ( 0.000 -2.579 -4.403) 5.102 16.379 ( 0.000 0.701 18.701) 18.714 16.443 ( 0.000 -7.397 18.302) 19.740 17.128 ( 0.000 15.106 -31.880) 35.278 17.313 ( 0.000 -4.966 -35.817) 36.160 17.890 ( 0.000 2.878 -7.669) 8.191 17.904 ( 0.000 0.184 -9.019) 9.021 17.935 ( 0.000 4.558 -5.824) 7.396 18.118 ( 0.000 -12.089 -0.927) 12.125 18.518 ( 0.000 7.159 6.768) 9.852 18.652 ( 0.000 -5.910 9.855) 11.491 18.934 ( 0.000 1.079 2.073) 2.337 18.954 ( 0.000 -1.121 2.364) 2.616 20.017 ( 0.000 0.362 4.127) 4.143 20.033 ( 0.000 -1.249 5.441) 5.583 21.023 ( 0.000 1.710 -2.214) 2.798 21.059 ( 0.000 -1.662 -2.231) 2.782 21.818 ( 0.000 6.596 25.119) 25.971 22.104 ( 0.000 -27.226 32.907) 42.710 23.672 ( 0.000 11.798 -15.817) 19.732 23.750 ( 0.000 -0.171 -8.936) 8.937 24.363 ( 0.000 3.854 7.462) 8.398 24.435 ( 0.000 -2.900 8.590) 9.067 26.219 ( 0.000 0.451 -5.047) 5.067 26.228 ( 0.000 -0.448 -4.948) 4.969 ======================= Grid point 45 (20/72) ======================= q-point: ( 0.09 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 9.992 12.173 18.642) 24.404 0.945 ( 16.168 13.433 14.033) 25.274 1.193 ( 9.354 -10.674 14.838) 20.532 1.321 ( 11.229 -16.763 10.492) 22.741 1.769 ( 23.094 18.776 27.984) 40.853 1.787 ( 8.708 8.072 13.545) 18.013 1.837 ( 8.705 4.311 9.951) 13.906 2.247 ( 8.407 -13.914 12.382) 20.435 2.421 ( 7.723 -3.860 5.969) 10.497 2.449 ( 9.598 -15.171 12.812) 22.055 2.859 ( -3.892 5.771 7.956) 10.571 2.982 ( -3.751 -4.239 4.434) 7.191 3.162 ( 9.399 1.179 4.997) 10.709 3.225 ( 7.842 0.484 4.680) 9.145 3.761 ( -3.578 9.463 -10.127) 14.314 3.893 ( -2.791 -2.769 -17.447) 17.884 4.052 ( -2.239 3.144 -12.596) 13.174 4.090 ( -0.273 -0.766 -13.968) 13.991 4.193 ( -4.609 4.914 -6.786) 9.562 4.292 ( -6.060 -0.636 0.412) 6.107 4.435 ( 0.360 -2.352 2.249) 3.274 4.448 ( 5.870 -3.457 2.073) 7.121 4.657 ( 5.394 6.670 -1.202) 8.662 4.786 ( 1.068 -4.336 5.555) 7.128 4.873 ( 9.943 4.881 0.202) 11.078 5.044 ( 1.404 -0.448 3.805) 4.081 5.127 ( 2.230 -7.407 6.399) 10.039 5.255 ( 3.886 -2.027 6.225) 7.613 5.345 ( -1.118 -1.400 9.958) 10.118 5.479 ( 2.198 0.476 -4.625) 5.143 5.556 ( 4.738 0.697 22.348) 22.855 5.698 ( 2.307 4.820 2.170) 5.767 5.741 ( 3.343 -2.722 1.589) 4.594 5.945 ( -0.833 -4.327 6.363) 7.739 6.255 ( 11.159 -3.089 -1.650) 11.696 6.318 ( 1.384 8.728 -0.232) 8.840 6.411 ( 8.678 -1.637 0.770) 8.864 6.541 ( 6.405 -9.925 6.398) 13.434 6.809 ( -0.696 -1.579 7.412) 7.610 6.942 ( 7.599 -3.697 4.630) 9.636 7.358 ( -1.710 1.159 2.442) 3.198 7.488 ( -4.113 1.178 4.431) 6.160 7.606 ( -0.782 -1.439 5.094) 5.351 7.814 ( -1.722 3.328 4.574) 5.913 7.844 ( -2.334 1.342 -3.093) 4.101 7.933 ( -1.209 -1.522 1.535) 2.477 8.010 ( -1.010 0.063 -0.342) 1.069 8.129 ( -0.748 -0.336 0.206) 0.845 8.459 ( -5.648 2.163 -6.422) 8.822 8.592 ( -5.566 -4.972 -5.811) 9.458 8.729 ( 2.393 3.292 0.917) 4.172 8.880 ( 5.821 -1.980 -2.068) 6.487 9.317 ( -3.708 16.973 -12.459) 21.378 9.733 ( -0.449 -14.847 -16.113) 21.915 10.033 ( -3.789 -2.461 -6.322) 7.771 10.194 ( -2.455 0.181 -4.411) 5.051 10.341 ( -4.097 4.053 -0.607) 5.795 10.526 ( -0.866 -3.401 -7.276) 8.079 10.777 ( -6.165 7.634 -1.559) 9.936 10.893 ( -5.887 0.291 5.512) 8.070 10.969 ( -3.861 3.406 3.585) 6.274 11.228 ( -3.957 -6.518 -2.400) 7.994 11.277 ( -16.875 4.590 3.808) 17.897 11.741 ( -5.176 -0.139 16.518) 17.311 11.789 ( 1.324 -2.426 -0.965) 2.928 11.837 ( 1.568 0.933 -1.434) 2.320 11.932 ( -5.607 -0.368 -3.323) 6.528 12.009 ( -1.627 -0.242 -3.270) 3.661 12.189 ( 8.009 -3.061 8.728) 12.235 12.418 ( 4.331 -2.531 20.040) 20.658 12.565 ( -4.439 -0.012 1.303) 4.627 12.597 ( -2.936 -0.235 0.972) 3.102 13.438 ( -10.323 -0.549 -6.434) 12.177 13.490 ( -12.025 -0.005 -7.184) 14.008 13.825 ( -7.317 14.351 -4.004) 16.599 13.892 ( -20.613 22.052 -1.411) 30.219 14.033 ( -2.066 -7.809 -2.777) 8.542 14.247 ( 6.350 1.235 4.394) 7.820 14.415 ( 5.657 -1.247 7.172) 9.220 14.642 ( -35.091 -17.357 4.264) 39.381 15.424 ( -7.601 7.028 -4.274) 11.200 15.769 ( 3.364 4.002 -0.631) 5.266 15.921 ( 0.025 -2.240 -2.971) 3.721 15.967 ( -1.903 -11.605 4.029) 12.431 16.057 ( 32.102 -1.601 -20.661) 38.210 16.731 ( 1.940 8.280 -6.648) 10.794 17.388 ( 6.202 -2.093 -28.589) 29.329 17.436 ( 11.748 0.086 -7.104) 13.729 17.576 ( -23.423 -2.396 -4.854) 24.041 17.891 ( -4.150 5.106 -4.577) 8.016 17.940 ( 2.844 1.896 -6.714) 7.534 18.061 ( -4.546 -9.504 -6.177) 12.213 18.326 ( -6.353 2.131 1.787) 6.935 18.686 ( -4.051 -2.715 7.827) 9.222 18.879 ( -5.476 2.005 1.967) 6.154 19.079 ( 2.554 -0.870 12.423) 12.712 19.926 ( 3.970 -0.011 -8.842) 9.692 20.290 ( 14.379 -0.518 9.278) 17.120 20.802 ( -13.995 0.655 -10.018) 17.224 21.114 ( -0.487 -0.023 4.043) 4.073 22.084 ( 22.522 8.730 14.944) 28.404 22.429 ( 24.832 -25.336 15.619) 38.762 23.498 ( -5.664 8.518 -12.654) 16.271 23.808 ( -4.575 0.434 -6.310) 7.806 24.494 ( 9.993 -0.817 7.836) 12.725 24.570 ( 13.366 1.139 8.285) 15.767 26.178 ( -4.215 0.392 -4.998) 6.549 26.187 ( -4.287 -0.398 -4.856) 6.490 ======================= Grid point 46 (21/72) ======================= q-point: ( 0.18 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 15.047 6.804 12.978) 21.003 1.290 ( 16.282 -0.256 9.279) 18.742 1.414 ( 14.534 -1.877 7.796) 16.600 1.602 ( 16.216 -12.109 7.110) 21.451 1.958 ( 8.076 6.767 9.868) 14.436 2.017 ( 9.799 2.955 8.640) 13.394 2.234 ( 20.177 0.861 6.486) 21.211 2.530 ( 16.455 5.602 6.217) 18.461 2.574 ( 10.647 -1.789 5.050) 11.919 2.674 ( 7.622 -4.737 8.034) 12.045 2.792 ( -1.876 5.067 6.245) 8.258 2.982 ( 7.433 -11.896 5.328) 15.005 3.338 ( 7.706 0.159 1.794) 7.913 3.405 ( 10.454 3.445 7.677) 13.420 3.688 ( -2.613 0.601 -10.012) 10.365 3.821 ( -4.213 -3.209 -13.689) 14.678 3.991 ( -3.842 2.084 -19.056) 19.551 4.075 ( -3.193 0.660 -15.535) 15.873 4.109 ( -2.550 5.563 -4.118) 7.376 4.196 ( -2.746 -1.112 -4.052) 5.019 4.407 ( -0.580 -2.607 10.429) 10.766 4.542 ( 1.964 -2.507 4.672) 5.654 4.722 ( -2.174 5.335 1.285) 5.903 4.825 ( 4.530 3.220 -4.119) 6.918 5.044 ( 5.339 -1.215 6.912) 8.818 5.085 ( 5.070 -2.823 9.709) 11.311 5.144 ( 1.069 -0.407 -3.401) 3.588 5.285 ( -0.125 2.907 3.481) 4.536 5.364 ( -2.609 -3.847 2.840) 5.447 5.443 ( 1.315 1.031 -1.267) 2.097 5.627 ( 0.165 3.409 11.273) 11.778 5.712 ( -4.062 -3.668 -0.149) 5.475 5.780 ( 3.537 2.599 9.961) 10.885 5.910 ( -0.888 -4.919 4.482) 6.713 6.271 ( -3.076 1.959 1.664) 4.009 6.430 ( 4.283 0.990 1.111) 4.535 6.595 ( 9.978 -4.247 3.852) 11.508 6.783 ( 3.427 -3.540 10.599) 11.688 6.864 ( 15.043 6.234 -2.605) 16.491 7.069 ( 1.345 -1.200 0.982) 2.053 7.400 ( 5.320 -0.993 1.726) 5.681 7.407 ( 1.450 -0.205 -1.853) 2.362 7.621 ( 0.870 -2.900 3.523) 4.645 7.700 ( -5.205 -2.701 -9.231) 10.936 7.794 ( -2.728 4.607 4.032) 6.703 7.902 ( -2.969 -3.437 1.380) 4.747 8.043 ( -1.180 5.695 1.730) 6.068 8.141 ( 4.663 0.079 13.196) 13.996 8.348 ( -3.425 -4.593 0.552) 5.755 8.473 ( -5.206 -4.260 -3.043) 7.383 8.813 ( 5.837 4.437 1.805) 7.550 9.004 ( 6.373 -0.349 -0.459) 6.399 9.269 ( -0.941 11.749 -10.727) 15.937 9.706 ( -2.665 -12.304 -12.268) 17.578 9.985 ( -1.395 -7.149 -4.446) 8.533 10.047 ( -11.735 -0.907 1.272) 11.838 10.183 ( -9.404 4.947 10.553) 14.976 10.531 ( -0.954 1.390 -6.770) 6.977 10.601 ( -11.147 -1.410 7.732) 13.639 10.751 ( -8.599 1.013 5.344) 10.175 10.865 ( -4.629 9.321 1.799) 10.562 11.089 ( -7.587 -0.131 -0.852) 7.636 11.113 ( -2.657 0.735 -5.857) 6.473 11.660 ( 0.557 -3.467 16.214) 16.590 11.725 ( -7.866 -1.981 -4.798) 9.424 11.852 ( -2.507 5.733 -6.937) 9.342 11.924 ( -0.198 -1.551 -8.467) 8.610 12.021 ( 6.565 0.600 -9.798) 11.809 12.403 ( 9.049 -2.381 3.986) 10.171 12.443 ( -6.412 -1.331 0.122) 6.550 12.501 ( 2.401 1.371 11.335) 11.668 12.525 ( -2.068 1.397 4.414) 5.070 13.260 ( -8.148 1.582 -4.193) 9.299 13.346 ( -3.555 -5.367 -4.546) 7.881 13.545 ( -7.387 10.241 2.483) 12.869 13.790 ( -5.547 8.140 -3.284) 10.384 13.934 ( -11.456 -9.591 -3.979) 15.461 14.084 ( -16.227 -11.287 8.177) 21.391 14.387 ( 5.168 0.324 2.855) 5.913 14.510 ( 3.253 0.411 4.751) 5.772 15.143 ( -19.693 17.679 -4.673) 26.874 15.644 ( -18.583 -14.087 0.653) 23.328 15.886 ( -6.245 -1.235 -2.878) 6.986 15.921 ( 0.539 -1.717 -1.009) 2.063 16.615 ( 25.815 1.937 -14.894) 29.866 16.872 ( 11.241 1.581 -6.938) 13.304 17.149 ( -9.668 -0.342 -12.680) 15.949 17.421 ( -10.935 3.641 -8.394) 14.258 17.482 ( -0.430 3.169 -10.973) 11.430 17.861 ( 2.171 -0.782 -5.522) 5.985 17.936 ( -5.236 -8.444 -3.537) 10.547 18.071 ( 8.167 -0.688 -0.464) 8.209 18.232 ( -4.784 1.958 -2.405) 5.702 18.597 ( -4.129 -1.621 8.406) 9.504 18.736 ( -8.370 2.881 2.299) 9.146 18.935 ( -14.106 -1.197 12.102) 18.625 20.139 ( 14.482 0.063 -12.618) 19.207 20.509 ( -16.161 0.520 -15.002) 22.057 20.547 ( 11.216 -0.393 7.252) 13.362 21.030 ( -8.347 -0.003 9.048) 12.310 22.509 ( 19.324 5.453 3.804) 20.435 22.840 ( 15.823 -13.196 7.650) 21.977 23.449 ( -1.069 7.952 -7.036) 10.671 23.671 ( -7.258 -1.468 -4.053) 8.442 24.720 ( 12.691 0.781 6.229) 14.159 24.821 ( 11.488 -1.286 6.682) 13.352 26.060 ( -7.762 0.330 -4.769) 9.115 26.067 ( -7.833 -0.257 -4.726) 9.152 ======================= Grid point 47 (22/72) ======================= q-point: ( 0.27 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 13.818 -0.368 7.525) 15.738 1.542 ( 12.166 -6.532 9.698) 16.874 1.749 ( 17.485 6.988 3.892) 19.228 1.890 ( 11.824 -5.075 4.405) 13.600 2.060 ( 2.263 6.604 9.267) 11.603 2.175 ( 5.359 -2.821 8.203) 10.197 2.538 ( 8.429 0.860 -5.561) 10.135 2.605 ( -0.826 -2.732 -1.341) 3.154 2.683 ( -3.156 2.081 6.381) 7.417 2.720 ( 5.113 0.243 -3.005) 5.936 3.004 ( 17.539 6.790 4.069) 19.243 3.297 ( 19.420 -8.903 9.080) 23.213 3.452 ( 2.572 3.009 -6.537) 7.642 3.507 ( 0.110 -1.204 -2.685) 2.945 3.716 ( -3.868 0.877 -9.257) 10.071 3.794 ( 9.038 -4.699 -2.318) 10.447 3.939 ( 0.571 0.571 -16.042) 16.062 3.969 ( -4.230 1.152 -7.162) 8.398 4.135 ( 4.869 2.426 -4.688) 7.182 4.199 ( 2.628 -2.548 -10.828) 11.430 4.431 ( 3.133 1.143 11.432) 11.908 4.549 ( -0.692 -1.843 2.731) 3.367 4.636 ( -5.286 4.823 1.831) 7.386 4.814 ( -5.344 3.254 1.071) 6.348 5.112 ( 2.169 -0.973 3.961) 4.620 5.156 ( -1.923 -2.491 -1.518) 3.494 5.211 ( -1.092 -0.910 -1.828) 2.316 5.252 ( 1.497 -2.532 0.483) 2.981 5.317 ( 2.817 0.928 5.678) 6.406 5.456 ( -2.914 4.983 -2.801) 6.416 5.560 ( -9.236 -3.312 -0.967) 9.860 5.656 ( 4.365 1.268 12.363) 13.172 5.861 ( 3.524 1.766 6.752) 7.819 5.919 ( 1.254 -3.345 4.974) 6.124 6.218 ( -1.602 1.195 0.842) 2.169 6.503 ( 2.779 -1.113 7.820) 8.373 6.779 ( 8.820 -2.732 6.830) 11.485 6.825 ( 3.727 -3.086 8.788) 10.032 7.013 ( -1.610 5.121 1.598) 5.601 7.059 ( 3.742 2.096 1.881) 4.683 7.428 ( -1.462 2.658 0.531) 3.080 7.538 ( 0.247 -3.715 -0.008) 3.724 7.636 ( -1.705 -3.008 -0.319) 3.473 7.669 ( 0.842 -2.213 1.068) 2.597 7.743 ( -2.740 0.980 3.377) 4.458 7.933 ( 13.082 2.846 -6.376) 14.828 8.002 ( -1.574 4.061 0.782) 4.425 8.145 ( -2.128 3.582 4.078) 5.830 8.413 ( 0.406 1.756 6.830) 7.064 8.467 ( 11.211 -13.091 4.154) 17.729 8.938 ( 6.748 5.748 3.786) 9.639 9.112 ( 4.429 -3.774 3.577) 6.831 9.284 ( 2.672 11.681 -12.577) 17.372 9.627 ( -4.993 -11.185 -8.889) 15.135 9.793 ( -11.951 -2.336 1.498) 12.268 9.979 ( 0.084 -8.779 0.022) 8.780 10.058 ( -3.094 8.473 14.430) 17.017 10.395 ( -9.713 -5.048 12.409) 16.547 10.467 ( -5.292 5.370 -2.303) 7.883 10.596 ( -7.323 2.960 -0.570) 7.919 10.803 ( -1.487 2.727 2.763) 4.157 10.862 ( -12.660 -1.043 3.314) 13.128 11.160 ( 2.199 1.779 -10.648) 11.018 11.533 ( -11.234 -2.280 -3.184) 11.897 11.702 ( -0.139 -2.917 1.788) 3.424 11.822 ( 0.982 7.289 -4.541) 8.644 11.885 ( -1.198 1.084 -10.503) 10.626 12.153 ( 0.999 0.076 -10.113) 10.162 12.269 ( -5.183 -5.075 -2.213) 7.584 12.373 ( -6.852 0.123 -0.254) 6.858 12.508 ( -0.372 -0.745 1.123) 1.398 12.710 ( 13.045 -1.123 7.039) 14.865 13.168 ( -0.697 7.982 -2.964) 8.543 13.328 ( 0.716 -6.132 -2.039) 6.502 13.492 ( -0.251 0.853 5.568) 5.639 13.567 ( -13.635 -4.153 -2.508) 14.472 13.768 ( -4.781 1.467 -1.202) 5.143 13.894 ( -7.910 -3.625 2.890) 9.169 14.447 ( 0.145 4.265 1.248) 4.446 14.522 ( -3.129 2.047 1.440) 4.007 14.754 ( -17.420 10.359 0.331) 20.270 15.091 ( -32.006 -13.650 -0.030) 34.795 15.829 ( -0.024 4.729 -1.955) 5.117 15.962 ( 2.133 -4.451 -0.854) 5.008 16.859 ( -0.064 2.574 -3.851) 4.633 17.042 ( 9.424 -6.785 -2.428) 11.863 17.101 ( -12.542 9.820 -6.394) 17.164 17.362 ( -8.450 -5.978 -7.941) 13.046 17.443 ( 21.765 0.251 -20.212) 29.704 17.846 ( -0.549 2.657 -13.413) 13.685 17.991 ( 6.030 -1.804 -2.518) 6.779 18.134 ( -3.811 2.458 -6.417) 7.858 18.251 ( 7.956 -1.262 -2.200) 8.351 18.509 ( -10.056 -0.441 13.192) 16.594 18.606 ( -2.802 -0.222 4.216) 5.067 18.691 ( -3.238 -0.336 8.956) 9.530 20.155 ( -20.016 0.188 -17.628) 26.672 20.407 ( 12.348 0.252 -11.059) 16.579 20.727 ( 6.288 -0.383 4.233) 7.589 20.795 ( -15.154 0.098 12.570) 19.689 22.809 ( 11.951 2.442 1.978) 12.357 23.049 ( 6.866 -6.436 6.480) 11.426 23.421 ( -1.968 8.216 -1.767) 8.631 23.558 ( -4.683 -4.110 -3.332) 7.066 24.944 ( 9.928 3.359 3.367) 11.009 25.022 ( 9.576 -3.785 2.729) 10.653 25.885 ( -10.107 -0.039 -4.660) 11.130 25.896 ( -9.586 0.295 -4.442) 10.569 ======================= Grid point 48 (23/72) ======================= q-point: ( 0.36 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 10.105 -1.877 3.696) 10.922 1.760 ( 7.147 0.173 10.860) 13.002 1.954 ( -1.496 6.994 4.898) 8.668 2.028 ( 8.570 1.318 3.900) 9.508 2.126 ( 1.210 -1.360 9.352) 9.528 2.197 ( 1.469 -8.740 4.972) 10.162 2.455 ( -4.776 1.758 2.036) 5.482 2.606 ( -1.387 1.143 8.691) 8.875 2.825 ( 10.628 2.194 -10.236) 14.918 2.871 ( 11.308 -2.121 -9.579) 14.971 3.279 ( 6.984 1.309 -9.429) 11.807 3.402 ( -1.124 -0.248 -2.454) 2.711 3.480 ( -2.890 -2.029 -12.380) 12.874 3.547 ( -0.239 2.156 -0.954) 2.369 3.646 ( 2.018 0.161 2.576) 3.276 3.725 ( -9.652 -1.623 -10.553) 14.393 4.092 ( 13.031 1.400 -5.430) 14.186 4.180 ( 15.586 0.203 -1.305) 15.642 4.238 ( 5.657 -1.559 -7.084) 9.199 4.290 ( 5.953 -4.192 -7.079) 10.155 4.491 ( 1.542 3.582 2.974) 4.904 4.539 ( -3.901 3.706 -3.163) 6.241 4.581 ( 5.822 -0.966 9.969) 11.585 4.705 ( -4.543 2.106 1.185) 5.145 5.007 ( -8.032 -2.533 -2.562) 8.803 5.130 ( -1.821 -1.236 -1.611) 2.727 5.146 ( -3.072 -1.797 -4.477) 5.720 5.252 ( -2.376 1.859 8.853) 9.353 5.296 ( -11.860 1.212 -2.245) 12.131 5.388 ( -8.551 0.307 -3.612) 9.288 5.490 ( 10.671 -0.375 2.538) 10.975 5.794 ( 6.860 -0.556 12.377) 14.162 5.897 ( 0.176 0.754 5.079) 5.138 5.935 ( 0.979 -1.414 4.070) 4.419 6.227 ( 2.753 1.061 3.400) 4.502 6.511 ( -2.093 -0.289 11.735) 11.923 6.867 ( 2.501 0.022 4.415) 5.074 6.928 ( 4.490 -2.862 4.103) 6.722 7.061 ( 6.426 5.090 8.511) 11.817 7.187 ( 6.119 -4.857 6.350) 10.068 7.377 ( -1.931 5.085 -1.628) 5.678 7.450 ( -3.964 1.171 -1.650) 4.450 7.553 ( -7.064 -1.476 2.109) 7.519 7.600 ( -3.108 -7.490 2.039) 8.361 7.769 ( 3.427 -0.868 3.754) 5.157 7.986 ( -1.477 6.348 -1.972) 6.809 8.023 ( -2.208 -1.555 8.956) 9.354 8.317 ( 2.778 8.772 6.006) 10.989 8.461 ( 14.325 -3.114 -1.147) 14.705 8.702 ( 10.844 -5.555 0.548) 12.196 9.049 ( 3.981 3.634 3.294) 6.317 9.155 ( -0.080 -6.576 1.507) 6.747 9.387 ( 8.244 10.836 -9.545) 16.628 9.552 ( -1.206 -3.790 -4.056) 5.681 9.657 ( -1.869 -3.124 -1.584) 3.970 9.975 ( -1.475 -8.716 3.201) 9.401 10.037 ( 0.169 7.470 17.539) 19.064 10.228 ( -7.315 -5.715 13.176) 16.118 10.353 ( -5.995 6.734 -2.621) 9.389 10.447 ( -8.156 1.194 -0.518) 8.259 10.668 ( -5.727 4.242 2.756) 7.641 10.812 ( 1.895 -6.031 2.407) 6.764 11.108 ( -7.325 6.905 -3.628) 10.700 11.313 ( -11.049 -5.261 -0.486) 12.247 11.639 ( -4.511 -4.180 -8.030) 10.114 11.777 ( -6.363 -4.003 -5.613) 9.382 11.970 ( 6.692 8.412 -8.204) 13.522 12.057 ( -3.126 4.079 -9.612) 10.900 12.218 ( -5.070 1.825 -5.279) 7.544 12.271 ( -2.423 -9.450 -1.307) 9.843 12.584 ( 8.280 1.829 -7.117) 11.071 12.911 ( 6.617 0.575 4.269) 7.896 13.186 ( 0.864 7.045 -4.201) 8.248 13.312 ( -5.602 -4.692 -2.006) 7.578 13.384 ( -1.243 -3.507 -3.057) 4.815 13.520 ( 2.355 -2.732 5.439) 6.526 13.676 ( -5.200 1.723 -0.134) 5.480 13.752 ( -6.515 -0.672 4.879) 8.167 14.295 ( -12.518 12.665 -1.816) 17.899 14.430 ( -7.865 3.689 4.841) 9.945 14.561 ( -8.908 -5.132 3.216) 10.772 14.578 ( -12.810 -10.132 1.234) 16.379 15.862 ( 3.297 4.642 -2.940) 6.408 16.001 ( 1.782 -5.082 -1.251) 5.529 16.818 ( -7.254 8.316 -2.602) 11.337 16.937 ( 0.871 6.249 -2.348) 6.732 17.078 ( -12.012 -7.784 -0.016) 14.314 17.168 ( -0.047 -8.692 -2.407) 9.019 17.753 ( -2.329 2.148 -11.468) 11.898 18.016 ( 19.641 4.785 -20.030) 28.458 18.042 ( -4.147 -1.561 -4.730) 6.482 18.155 ( 9.110 2.084 -8.975) 12.957 18.278 ( -1.740 -1.166 -1.417) 2.529 18.335 ( -0.747 0.183 -4.216) 4.286 18.526 ( -4.054 -2.381 -1.171) 4.845 18.961 ( 23.237 -0.272 20.107) 30.730 19.737 ( -23.079 0.015 -18.543) 29.605 20.428 ( -21.401 -0.027 14.862) 26.055 20.611 ( 8.783 0.171 -9.269) 12.770 20.819 ( 2.250 -0.107 0.151) 2.257 22.989 ( 7.164 1.418 3.661) 8.169 23.136 ( 2.600 -3.709 6.236) 7.707 23.380 ( -1.972 5.895 -0.258) 6.221 23.474 ( -4.148 -3.493 -1.508) 5.629 25.113 ( 8.048 2.389 0.033) 8.396 25.191 ( 7.908 -3.198 0.170) 8.532 25.682 ( -10.544 0.349 -4.562) 11.494 25.708 ( -9.606 0.390 -3.949) 10.394 ======================= Grid point 49 (24/72) ======================= q-point: ( 0.45 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 1.487 1.875 8.008) 8.358 1.820 ( -0.037 -3.932 6.786) 7.843 1.908 ( -0.113 0.084 3.055) 3.058 2.002 ( -3.529 1.401 7.458) 8.369 2.224 ( 5.010 1.101 6.173) 8.026 2.264 ( 1.190 -2.318 6.262) 6.782 2.448 ( 4.844 0.427 3.489) 5.985 2.563 ( -4.479 0.473 8.544) 9.659 3.013 ( 9.564 0.498 -12.559) 15.794 3.123 ( 12.362 -0.411 -11.347) 16.785 3.192 ( -7.556 -1.046 -11.987) 14.209 3.345 ( -8.428 3.242 -13.427) 16.181 3.449 ( -2.271 -0.048 -2.551) 3.416 3.507 ( -5.563 -3.331 -5.300) 8.374 3.626 ( 6.254 1.190 -4.063) 7.552 3.711 ( 0.026 -0.444 0.793) 0.909 4.263 ( 4.756 1.950 -5.426) 7.474 4.313 ( 0.302 -2.126 -7.964) 8.248 4.371 ( 4.445 -0.181 0.658) 4.497 4.430 ( 7.095 1.109 -3.758) 8.105 4.475 ( -1.910 2.411 -6.845) 7.504 4.541 ( -0.981 -1.053 -0.167) 1.449 4.660 ( 4.494 2.329 3.661) 6.247 4.716 ( 2.421 -0.860 0.832) 2.700 4.950 ( 3.748 -0.517 2.891) 4.761 5.066 ( -5.512 -0.957 4.958) 7.475 5.099 ( -4.412 -0.471 -2.650) 5.169 5.113 ( -0.107 -0.786 -4.939) 5.002 5.181 ( -4.445 1.617 -1.858) 5.082 5.207 ( -8.688 -0.209 -3.619) 9.414 5.674 ( 7.853 -0.512 2.945) 8.403 5.795 ( -4.680 -0.489 3.578) 5.911 5.947 ( 2.922 -0.362 11.020) 11.406 5.960 ( 1.006 -0.602 6.586) 6.689 6.318 ( 6.013 0.683 8.509) 10.441 6.434 ( -5.446 0.189 11.872) 13.063 6.940 ( 5.451 1.296 2.596) 6.175 7.021 ( 3.802 -2.506 2.342) 5.121 7.082 ( -2.911 -0.143 6.521) 7.143 7.175 ( -5.601 1.789 8.523) 10.355 7.333 ( 0.719 -0.134 0.451) 0.860 7.410 ( -6.474 -0.716 3.544) 7.415 7.568 ( 9.196 2.227 -2.286) 9.734 7.622 ( 3.567 -3.501 -2.408) 5.548 7.828 ( 2.464 -2.496 5.429) 6.463 7.900 ( -5.179 -1.034 2.710) 5.936 8.048 ( 3.854 3.256 11.249) 12.329 8.188 ( -9.837 5.272 10.871) 15.581 8.766 ( 10.868 -0.720 -4.604) 11.825 8.842 ( 2.552 -1.317 -2.316) 3.689 9.096 ( 1.762 -0.789 0.418) 1.975 9.132 ( -1.804 -2.864 -0.760) 3.469 9.553 ( 6.402 0.062 -4.013) 7.555 9.607 ( 3.335 0.960 -0.704) 3.541 9.679 ( 5.861 5.221 -0.663) 7.877 9.873 ( -9.369 -3.414 4.316) 10.866 10.057 ( 2.145 -0.346 13.049) 13.229 10.121 ( -4.039 -3.610 10.535) 11.847 10.265 ( -1.756 2.869 -0.711) 3.438 10.307 ( -5.525 0.048 0.746) 5.575 10.665 ( 4.908 9.603 2.975) 11.187 10.801 ( -6.125 2.411 0.591) 6.609 11.005 ( 1.370 -2.370 3.538) 4.473 11.120 ( -8.570 -8.450 2.116) 12.220 11.574 ( -0.998 -6.781 -7.907) 10.464 11.630 ( -6.626 -6.550 -6.504) 11.363 12.023 ( 0.733 8.167 -8.552) 11.848 12.052 ( -1.553 6.739 -8.343) 10.836 12.191 ( 3.290 1.819 -10.229) 10.898 12.243 ( -1.365 -4.437 -8.460) 9.650 12.775 ( 10.459 3.044 -4.404) 11.750 12.935 ( -4.289 3.268 0.338) 5.403 13.172 ( -1.230 -0.751 -8.858) 8.974 13.199 ( -4.283 -2.840 -7.827) 9.363 13.445 ( 5.687 -1.686 1.922) 6.235 13.559 ( -3.266 -0.199 1.803) 3.736 13.583 ( 0.223 -0.737 7.662) 7.700 13.644 ( -4.478 -0.338 7.658) 8.878 14.140 ( -2.439 4.807 1.305) 5.546 14.202 ( -8.796 -0.187 3.126) 9.337 14.468 ( -0.762 -2.213 1.851) 2.984 14.489 ( -2.864 -3.743 3.852) 6.087 15.946 ( 4.734 3.917 -3.024) 6.848 16.012 ( -1.363 -0.712 -2.367) 2.823 16.723 ( -0.151 -1.062 -0.151) 1.083 16.826 ( -9.945 -8.012 0.564) 12.783 17.041 ( 6.218 9.663 -1.287) 11.563 17.147 ( -3.678 1.201 -1.822) 4.276 17.724 ( 1.994 -1.195 -6.300) 6.715 17.849 ( -10.255 -4.682 -3.369) 11.766 18.173 ( 5.005 2.299 -12.552) 13.708 18.254 ( -2.989 3.391 -10.112) 11.077 18.339 ( 5.068 -0.851 -2.849) 5.876 18.432 ( -4.007 -2.359 -2.724) 5.389 18.698 ( 28.127 0.715 -17.450) 33.108 19.219 ( -22.144 0.088 -15.042) 26.770 19.493 ( 22.093 -0.301 14.164) 26.245 19.978 ( -24.843 -0.158 16.135) 29.623 20.748 ( 5.461 0.066 -6.916) 8.813 20.821 ( -1.940 -0.009 -3.701) 4.179 23.099 ( 4.340 0.841 5.547) 7.093 23.153 ( -1.008 -1.264 6.422) 6.623 23.361 ( 0.455 2.068 -0.430) 2.161 23.400 ( -3.288 -1.578 -0.663) 3.706 25.266 ( 7.662 0.441 -2.049) 7.944 25.324 ( 4.747 -2.797 -1.333) 5.669 25.499 ( -6.891 1.785 -4.176) 8.253 25.536 ( -7.739 0.499 -3.390) 8.463 ======================= Grid point 66 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.000 0.000 22.554) 22.554 1.216 ( 0.000 0.000 25.595) 25.595 1.572 ( 0.000 0.000 20.837) 20.837 1.739 ( 0.000 0.000 5.206) 5.206 1.751 ( 0.000 0.000 11.839) 11.839 1.920 ( 0.000 0.000 14.996) 14.996 2.086 ( 0.000 0.000 38.026) 38.026 2.524 ( 0.000 0.000 8.826) 8.826 2.716 ( 0.000 0.000 14.871) 14.871 2.842 ( 0.000 0.000 9.119) 9.119 3.111 ( 0.000 0.000 10.468) 10.468 3.118 ( 0.000 0.000 13.705) 13.705 3.138 ( 0.000 0.000 3.866) 3.866 3.296 ( 0.000 0.000 2.325) 2.325 3.570 ( 0.000 0.000 -9.899) 9.899 3.618 ( 0.000 0.000 3.239) 3.239 3.734 ( 0.000 0.000 -22.228) 22.228 3.955 ( 0.000 0.000 -15.730) 15.730 4.019 ( 0.000 0.000 3.215) 3.215 4.136 ( 0.000 0.000 -9.411) 9.411 4.566 ( 0.000 0.000 7.881) 7.881 4.571 ( 0.000 0.000 9.503) 9.503 4.607 ( 0.000 0.000 2.576) 2.576 4.640 ( 0.000 0.000 -0.197) 0.197 5.000 ( 0.000 0.000 9.561) 9.561 5.026 ( 0.000 0.000 -11.068) 11.068 5.228 ( 0.000 0.000 2.004) 2.004 5.414 ( 0.000 0.000 -0.356) 0.356 5.531 ( 0.000 0.000 4.326) 4.326 5.541 ( 0.000 0.000 2.190) 2.190 5.695 ( 0.000 0.000 11.194) 11.194 5.720 ( 0.000 0.000 14.641) 14.641 5.950 ( 0.000 0.000 19.996) 19.996 6.084 ( 0.000 0.000 9.997) 9.997 6.142 ( 0.000 0.000 0.811) 0.811 6.290 ( 0.000 0.000 0.481) 0.481 6.420 ( 0.000 0.000 5.728) 5.728 6.709 ( 0.000 0.000 4.531) 4.531 6.967 ( 0.000 0.000 6.304) 6.304 7.089 ( 0.000 0.000 4.318) 4.318 7.479 ( 0.000 0.000 1.802) 1.802 7.631 ( 0.000 0.000 4.485) 4.485 7.667 ( 0.000 0.000 -2.516) 2.516 7.721 ( 0.000 0.000 -2.578) 2.578 7.886 ( 0.000 0.000 7.558) 7.558 7.893 ( 0.000 0.000 -10.312) 10.312 7.929 ( 0.000 0.000 -6.590) 6.590 7.946 ( 0.000 0.000 -1.963) 1.963 8.335 ( 0.000 0.000 -11.374) 11.374 8.559 ( 0.000 0.000 -8.258) 8.258 8.682 ( 0.000 0.000 3.509) 3.509 8.795 ( 0.000 0.000 -10.027) 10.027 9.244 ( 0.000 0.000 11.118) 11.118 9.682 ( 0.000 0.000 -11.915) 11.915 9.789 ( 0.000 0.000 -11.262) 11.262 10.163 ( 0.000 0.000 5.436) 5.436 10.183 ( 0.000 0.000 -1.081) 1.081 10.542 ( 0.000 0.000 -8.497) 8.497 10.670 ( 0.000 0.000 -3.112) 3.112 10.970 ( 0.000 0.000 2.278) 2.278 11.034 ( 0.000 0.000 1.557) 1.557 11.207 ( 0.000 0.000 -5.776) 5.776 11.346 ( 0.000 0.000 -6.565) 6.565 11.677 ( 0.000 0.000 -0.909) 0.909 11.777 ( 0.000 0.000 -13.474) 13.474 11.948 ( 0.000 0.000 -3.094) 3.094 12.028 ( 0.000 0.000 3.349) 3.349 12.087 ( 0.000 0.000 8.106) 8.106 12.343 ( 0.000 0.000 12.874) 12.874 12.622 ( 0.000 0.000 0.863) 0.863 12.665 ( 0.000 0.000 0.918) 0.918 13.196 ( 0.000 0.000 -16.964) 16.964 13.274 ( 0.000 0.000 -18.218) 18.218 13.451 ( 0.000 0.000 7.573) 7.573 13.700 ( 0.000 0.000 2.040) 2.040 13.764 ( 0.000 0.000 -0.914) 0.914 14.221 ( 0.000 0.000 7.333) 7.333 14.284 ( 0.000 0.000 12.243) 12.243 14.593 ( 0.000 0.000 9.188) 9.188 14.866 ( 0.000 0.000 -13.577) 13.577 15.292 ( 0.000 0.000 7.738) 7.738 15.619 ( 0.000 0.000 5.183) 5.183 15.712 ( 0.000 0.000 -6.695) 6.695 15.726 ( 0.000 0.000 -2.654) 2.654 16.352 ( 0.000 0.000 -22.127) 22.127 16.641 ( 0.000 0.000 -34.144) 34.144 16.688 ( 0.000 0.000 13.224) 13.224 16.909 ( 0.000 0.000 7.422) 7.422 17.623 ( 0.000 0.000 -16.055) 16.055 17.706 ( 0.000 0.000 -10.240) 10.240 17.746 ( 0.000 0.000 -6.417) 6.417 18.287 ( 0.000 0.000 -6.657) 6.657 18.459 ( 0.000 0.000 8.129) 8.129 18.898 ( 0.000 0.000 7.225) 7.225 18.989 ( 0.000 0.000 5.340) 5.340 19.007 ( 0.000 0.000 0.811) 0.811 20.150 ( 0.000 0.000 9.340) 9.340 20.215 ( 0.000 0.000 9.693) 9.693 20.937 ( 0.000 0.000 -4.402) 4.402 21.016 ( 0.000 0.000 -3.652) 3.652 22.180 ( 0.000 0.000 18.857) 18.857 22.947 ( 0.000 0.000 2.214) 2.214 23.102 ( 0.000 0.000 -1.459) 1.459 23.564 ( 0.000 0.000 -10.500) 10.500 24.507 ( 0.000 0.000 11.552) 11.552 24.687 ( 0.000 0.000 12.540) 12.540 26.073 ( 0.000 0.000 -8.956) 8.956 26.094 ( 0.000 0.000 -9.057) 9.057 ======================= Grid point 67 (26/72) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 10.207 0.000 20.896) 23.256 1.233 ( 3.346 0.000 23.950) 24.183 1.644 ( 6.423 0.000 18.268) 19.364 1.783 ( 4.055 0.000 8.983) 9.856 1.796 ( 6.163 0.000 4.591) 7.685 2.002 ( 7.433 0.000 14.895) 16.646 2.262 ( 12.700 0.000 24.882) 27.936 2.559 ( 6.506 0.000 14.558) 15.945 2.694 ( -1.828 0.000 14.029) 14.148 2.896 ( 3.166 0.000 12.206) 12.610 3.022 ( -7.325 0.000 9.132) 11.707 3.028 ( -0.046 0.000 2.887) 2.887 3.260 ( 5.612 0.000 4.933) 7.472 3.377 ( 5.190 0.000 0.796) 5.251 3.552 ( -1.981 0.000 -7.525) 7.781 3.621 ( 0.264 0.000 0.691) 0.740 3.713 ( -1.768 0.000 -21.448) 21.521 3.869 ( -7.621 0.000 -5.153) 9.200 3.922 ( -1.643 0.000 -12.089) 12.200 4.331 ( 7.839 0.000 -4.276) 8.929 4.392 ( -5.032 0.000 6.403) 8.143 4.547 ( -2.050 0.000 1.179) 2.364 4.614 ( 0.618 0.000 7.521) 7.547 4.844 ( 9.900 0.000 1.605) 10.029 4.946 ( -0.594 0.000 1.339) 1.464 5.113 ( 4.545 0.000 -1.310) 4.730 5.255 ( 0.194 0.000 0.763) 0.787 5.378 ( -3.213 0.000 -2.099) 3.838 5.533 ( -0.334 0.000 1.090) 1.140 5.561 ( -6.613 0.000 15.555) 16.902 5.683 ( 11.146 0.000 -0.482) 11.157 5.774 ( -0.288 0.000 8.224) 8.229 6.006 ( 5.373 0.000 19.780) 20.497 6.096 ( -1.290 0.000 7.722) 7.829 6.151 ( 2.884 0.000 1.233) 3.136 6.396 ( 12.805 0.000 3.582) 13.297 6.415 ( -1.504 0.000 5.595) 5.794 6.762 ( 5.101 0.000 5.337) 7.382 6.979 ( 1.174 0.000 6.464) 6.569 7.127 ( 3.077 0.000 3.162) 4.412 7.405 ( -4.606 0.000 2.600) 5.289 7.436 ( -9.189 0.000 0.456) 9.201 7.664 ( -5.476 0.000 -8.624) 10.215 7.784 ( 2.517 0.000 -1.013) 2.714 7.789 ( 0.105 0.000 -1.226) 1.230 7.871 ( -1.542 0.000 2.173) 2.664 7.977 ( 3.141 0.000 0.373) 3.163 8.204 ( 12.918 0.000 1.456) 13.000 8.331 ( 0.184 0.000 -9.737) 9.738 8.571 ( 1.755 0.000 -5.190) 5.479 8.693 ( 2.148 0.000 0.788) 2.288 8.772 ( -2.754 0.000 -6.965) 7.490 9.230 ( 0.184 0.000 9.308) 9.309 9.721 ( 3.686 0.000 -11.501) 12.077 9.755 ( -3.202 0.000 -10.685) 11.155 10.170 ( 0.261 0.000 3.891) 3.899 10.242 ( 5.401 0.000 -2.839) 6.102 10.432 ( -9.375 0.000 -6.760) 11.558 10.673 ( -1.565 0.000 -1.251) 2.004 10.951 ( -1.440 0.000 2.298) 2.712 10.992 ( -3.771 0.000 -0.253) 3.780 11.138 ( -8.209 0.000 -2.887) 8.702 11.330 ( -2.298 0.000 -2.245) 3.213 11.715 ( -2.434 0.000 -7.868) 8.236 11.740 ( 2.159 0.000 -7.248) 7.563 11.839 ( -10.051 0.000 -1.906) 10.230 11.956 ( -7.169 0.000 2.453) 7.577 12.064 ( -3.473 0.000 7.172) 7.969 12.412 ( 6.708 0.000 9.449) 11.588 12.588 ( -3.244 0.000 1.605) 3.620 12.592 ( -5.515 0.000 0.213) 5.519 12.943 ( -21.428 0.000 9.242) 23.336 13.277 ( -0.031 0.000 -14.656) 14.656 13.386 ( -17.644 0.000 -4.692) 18.257 13.473 ( 2.318 0.000 7.613) 7.958 13.705 ( -0.426 0.000 0.869) 0.968 14.178 ( -5.063 0.000 6.589) 8.309 14.357 ( 6.128 0.000 9.867) 11.615 14.587 ( -0.562 0.000 7.081) 7.104 14.789 ( -17.381 0.000 -8.146) 19.195 15.321 ( -22.923 0.000 0.770) 22.936 15.562 ( 18.521 0.000 -10.254) 21.171 15.772 ( 4.668 0.000 -4.620) 6.568 15.936 ( 20.783 0.000 -6.373) 21.738 16.227 ( -13.285 0.000 -19.385) 23.500 16.300 ( -8.412 0.000 13.179) 15.635 16.892 ( 17.619 0.000 -26.010) 31.416 17.308 ( 7.734 0.000 -7.414) 10.714 17.424 ( -19.648 0.000 -12.164) 23.108 17.708 ( -3.360 0.000 -9.279) 9.868 17.804 ( 12.629 0.000 -2.875) 12.953 18.083 ( -11.020 0.000 -2.918) 11.399 18.385 ( -6.760 0.000 6.855) 9.628 18.836 ( -4.583 0.000 2.506) 5.223 18.938 ( -4.809 0.000 7.221) 8.676 19.300 ( 16.067 0.000 6.117) 17.192 19.829 ( -14.680 0.000 0.737) 14.699 20.491 ( 13.269 0.000 10.049) 16.645 20.610 ( -20.315 0.000 -8.451) 22.003 21.168 ( 4.495 0.000 1.312) 4.683 22.300 ( 11.696 0.000 14.334) 18.500 23.029 ( 7.416 0.000 2.531) 7.836 23.084 ( 1.675 0.000 -2.149) 2.725 23.621 ( 0.466 0.000 -10.738) 10.748 24.663 ( 14.011 0.000 8.005) 16.137 24.745 ( 5.487 0.000 11.614) 12.845 26.033 ( -4.089 0.000 -8.921) 9.813 26.053 ( -4.167 0.000 -8.980) 9.900 ======================= Grid point 68 (27/72) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 12.347 0.000 13.427) 18.241 1.428 ( 15.026 0.000 18.060) 23.494 1.770 ( 5.749 0.000 13.257) 14.450 1.889 ( 5.940 0.000 6.335) 8.684 1.979 ( 12.282 0.000 2.687) 12.572 2.157 ( 7.525 0.000 14.603) 16.428 2.432 ( 5.862 0.000 4.576) 7.436 2.668 ( -0.301 0.000 10.920) 10.924 2.760 ( 7.215 0.000 9.712) 12.099 2.877 ( -7.232 0.000 6.093) 9.456 2.911 ( 2.668 0.000 13.319) 13.584 3.209 ( 14.513 0.000 6.987) 16.107 3.341 ( 5.816 0.000 2.302) 6.255 3.378 ( -5.881 0.000 -18.998) 19.888 3.547 ( 1.214 0.000 -2.676) 2.938 3.607 ( -1.774 0.000 -6.590) 6.824 3.689 ( -0.051 0.000 -14.165) 14.165 3.779 ( -1.194 0.000 -2.821) 3.063 3.945 ( 3.906 0.000 -8.499) 9.354 4.192 ( -8.074 0.000 -1.358) 8.187 4.480 ( -4.775 0.000 -6.690) 8.220 4.579 ( 9.264 0.000 1.733) 9.424 4.642 ( 2.931 0.000 13.850) 14.157 4.854 ( -4.049 0.000 0.831) 4.134 5.059 ( 5.344 0.000 -4.623) 7.066 5.168 ( 1.171 0.000 0.054) 1.172 5.214 ( -4.526 0.000 0.453) 4.549 5.323 ( -2.069 0.000 -5.586) 5.957 5.488 ( -0.163 0.000 17.628) 17.629 5.502 ( -2.753 0.000 -0.317) 2.771 5.769 ( -2.389 0.000 4.059) 4.710 5.769 ( 1.261 0.000 8.948) 9.036 6.039 ( -3.159 0.000 5.534) 6.372 6.097 ( 3.114 0.000 15.428) 15.739 6.339 ( 14.012 0.000 -2.663) 14.263 6.357 ( -2.554 0.000 7.463) 7.888 6.734 ( 18.385 0.000 5.624) 19.226 6.856 ( 3.694 0.000 4.615) 5.911 7.015 ( 2.631 0.000 7.253) 7.715 7.114 ( -3.901 0.000 3.675) 5.359 7.364 ( 4.152 0.000 0.414) 4.173 7.443 ( 5.983 0.000 2.227) 6.384 7.599 ( 0.206 0.000 -5.161) 5.166 7.784 ( -3.067 0.000 -3.140) 4.389 7.816 ( 2.150 0.000 1.408) 2.570 7.823 ( -3.138 0.000 2.173) 3.817 7.970 ( -3.222 0.000 2.280) 3.947 8.338 ( 0.827 0.000 7.366) 7.412 8.368 ( 3.982 0.000 -5.518) 6.805 8.638 ( 4.633 0.000 0.442) 4.655 8.714 ( -0.942 0.000 -2.270) 2.457 8.810 ( 9.152 0.000 -1.500) 9.274 9.276 ( 3.650 0.000 6.733) 7.659 9.683 ( -3.827 0.000 -10.049) 10.753 9.819 ( 6.618 0.000 -11.147) 12.964 10.114 ( -9.845 0.000 2.358) 10.123 10.250 ( -5.662 0.000 -4.096) 6.989 10.350 ( 4.497 0.000 -4.442) 6.321 10.605 ( -4.477 0.000 -0.212) 4.482 10.864 ( -18.019 0.000 9.341) 20.296 10.918 ( -3.058 0.000 -4.521) 5.458 10.930 ( -0.725 0.000 4.951) 5.003 11.247 ( -6.100 0.000 5.438) 8.172 11.577 ( -9.109 0.000 -12.022) 15.084 11.653 ( -7.206 0.000 -5.084) 8.819 11.758 ( -7.567 0.000 -7.661) 10.768 11.893 ( 6.564 0.000 0.661) 6.597 11.971 ( -5.062 0.000 6.864) 8.529 12.460 ( -4.370 0.000 -1.188) 4.528 12.462 ( -11.064 0.000 0.285) 11.068 12.620 ( 10.263 0.000 6.187) 11.983 12.706 ( -2.723 0.000 14.415) 14.670 13.124 ( -10.998 0.000 -8.969) 14.192 13.266 ( -1.031 0.000 -12.266) 12.309 13.534 ( 3.619 0.000 7.340) 8.184 13.695 ( -0.804 0.000 1.924) 2.085 13.996 ( -14.525 0.000 3.306) 14.896 14.369 ( -20.838 0.000 2.586) 20.997 14.422 ( -2.349 0.000 2.715) 3.591 14.595 ( 2.162 0.000 5.264) 5.691 14.925 ( -15.326 0.000 3.405) 15.700 15.707 ( -0.028 0.000 -8.173) 8.173 15.824 ( -27.830 0.000 -11.112) 29.967 15.863 ( 4.357 0.000 -5.215) 6.796 16.373 ( 25.882 0.000 -7.113) 26.842 16.557 ( 24.727 0.000 -8.700) 26.213 16.974 ( -16.267 0.000 -9.331) 18.753 17.196 ( 5.642 0.000 -16.106) 17.065 17.222 ( -10.407 0.000 -7.355) 12.743 17.632 ( -4.095 0.000 -13.045) 13.672 17.952 ( -3.435 0.000 -2.871) 4.477 18.046 ( 8.549 0.000 -3.294) 9.161 18.232 ( -9.167 0.000 3.184) 9.704 18.730 ( -5.970 0.000 0.392) 5.983 18.856 ( -1.216 0.000 12.920) 12.977 19.206 ( -20.594 0.000 13.646) 24.705 19.894 ( 15.746 0.000 -11.632) 19.577 20.221 ( -20.151 0.000 -12.878) 23.914 20.696 ( 7.921 0.000 7.336) 10.796 21.169 ( -4.379 0.000 5.194) 6.794 22.583 ( 16.009 0.000 7.879) 17.843 23.167 ( 5.100 0.000 -3.150) 5.994 23.182 ( 7.361 0.000 2.901) 7.912 23.564 ( -4.302 0.000 -7.090) 8.293 24.872 ( 6.873 0.000 8.674) 11.067 24.927 ( 11.496 0.000 3.612) 12.050 25.920 ( -7.400 0.000 -8.694) 11.417 25.937 ( -7.702 0.000 -8.716) 11.631 ======================= Grid point 69 (28/72) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 14.495 0.000 2.673) 14.739 1.689 ( 8.997 0.000 13.373) 16.118 1.886 ( 8.884 0.000 10.368) 13.654 1.981 ( 3.669 0.000 7.821) 8.639 2.238 ( 13.398 0.000 0.599) 13.412 2.276 ( 5.119 0.000 11.735) 12.803 2.535 ( 5.068 0.000 -1.089) 5.183 2.682 ( 0.392 0.000 4.712) 4.728 2.715 ( -8.725 0.000 5.789) 10.471 2.760 ( -3.401 0.000 6.058) 6.948 3.037 ( 5.931 0.000 0.970) 6.010 3.236 ( -7.524 0.000 -21.795) 23.057 3.291 ( 0.004 0.000 -4.487) 4.487 3.513 ( -4.047 0.000 -13.681) 14.267 3.594 ( 4.141 0.000 0.687) 4.198 3.664 ( -3.453 0.000 -11.592) 12.095 3.720 ( 23.607 0.000 4.383) 24.011 3.865 ( 8.146 0.000 7.093) 10.802 4.031 ( 4.378 0.000 -11.401) 12.213 4.082 ( -2.204 0.000 -5.928) 6.324 4.369 ( -6.323 0.000 -11.626) 13.234 4.656 ( -2.397 0.000 4.361) 4.976 4.746 ( -6.193 0.000 -4.020) 7.383 4.753 ( 8.677 0.000 20.000) 21.801 5.075 ( -3.132 0.000 -11.592) 12.008 5.096 ( -7.391 0.000 -7.329) 10.408 5.173 ( -0.454 0.000 0.765) 0.889 5.243 ( -7.196 0.000 -4.010) 8.238 5.434 ( -4.837 0.000 -3.530) 5.988 5.542 ( 5.230 0.000 16.520) 17.328 5.691 ( -4.105 0.000 14.332) 14.908 5.869 ( 9.196 0.000 11.637) 14.832 6.004 ( -0.175 0.000 6.769) 6.771 6.114 ( -1.429 0.000 10.172) 10.272 6.304 ( -0.425 0.000 8.101) 8.112 6.619 ( 10.577 0.000 2.354) 10.835 6.907 ( 1.905 0.000 -1.090) 2.195 6.980 ( 6.696 0.000 5.534) 8.687 7.088 ( 3.534 0.000 7.048) 7.884 7.108 ( 8.808 0.000 11.921) 14.822 7.459 ( -2.781 0.000 1.301) 3.071 7.589 ( 1.075 0.000 3.869) 4.016 7.649 ( 2.277 0.000 -6.456) 6.846 7.677 ( 3.651 0.000 0.240) 3.659 7.781 ( -1.310 0.000 1.628) 2.090 7.873 ( 3.893 0.000 4.132) 5.677 7.934 ( 2.830 0.000 2.454) 3.745 8.317 ( -0.909 0.000 8.407) 8.456 8.482 ( 6.783 0.000 2.114) 7.105 8.713 ( 2.708 0.000 0.487) 2.751 8.794 ( 9.781 0.000 -3.277) 10.315 8.979 ( 6.955 0.000 0.602) 6.981 9.321 ( 0.110 0.000 6.375) 6.376 9.609 ( -4.277 0.000 -8.070) 9.133 9.842 ( -13.788 0.000 1.382) 13.857 9.979 ( 9.550 0.000 -7.745) 12.296 10.203 ( -1.232 0.000 -3.939) 4.127 10.350 ( -6.104 0.000 -4.160) 7.387 10.520 ( -4.562 0.000 0.470) 4.586 10.581 ( -8.389 0.000 16.987) 18.945 10.891 ( -0.567 0.000 -9.685) 9.701 10.927 ( 0.754 0.000 7.157) 7.197 11.099 ( -8.746 0.000 10.580) 13.727 11.400 ( -8.301 0.000 -10.912) 13.710 11.563 ( -2.021 0.000 -6.517) 6.823 11.610 ( -7.136 0.000 -11.696) 13.701 11.880 ( -4.530 0.000 2.349) 5.103 12.028 ( 4.313 0.000 -2.724) 5.101 12.212 ( -13.368 0.000 -3.506) 13.820 12.366 ( -3.717 0.000 -1.342) 3.952 12.658 ( -5.690 0.000 11.425) 12.763 12.826 ( 9.363 0.000 3.028) 9.840 12.990 ( -1.666 0.000 -6.680) 6.884 13.246 ( -0.520 0.000 -13.849) 13.859 13.585 ( -16.066 0.000 3.027) 16.348 13.591 ( 1.687 0.000 5.666) 5.912 13.728 ( -4.802 0.000 -1.387) 4.998 14.075 ( -10.590 0.000 7.565) 13.014 14.283 ( -9.217 0.000 -3.170) 9.747 14.599 ( -2.460 0.000 8.072) 8.439 14.783 ( -1.405 0.000 6.875) 7.017 15.229 ( -31.257 0.000 -1.749) 31.306 15.688 ( -0.682 0.000 -7.827) 7.857 15.948 ( 3.902 0.000 -5.141) 6.454 16.722 ( -8.142 0.000 -7.455) 11.040 16.876 ( 13.978 0.000 -8.075) 16.142 16.979 ( 18.447 0.000 -8.918) 20.489 17.086 ( 6.682 0.000 -11.575) 13.365 17.231 ( -2.674 0.000 -9.994) 10.346 17.565 ( -2.492 0.000 -12.146) 12.399 17.937 ( 1.544 0.000 -5.638) 5.845 18.015 ( -12.209 0.000 -0.434) 12.216 18.122 ( 0.522 0.000 -8.814) 8.830 18.612 ( -6.403 0.000 -3.117) 7.121 18.768 ( -22.520 0.000 9.221) 24.335 18.974 ( 13.550 0.000 17.923) 22.468 19.817 ( -21.825 0.000 -15.979) 27.049 20.191 ( 13.895 0.000 -9.988) 17.113 20.798 ( 2.717 0.000 3.260) 4.244 20.999 ( -13.073 0.000 8.106) 15.382 22.874 ( 13.401 0.000 5.819) 14.610 23.237 ( 2.160 0.000 -1.396) 2.572 23.292 ( 3.820 0.000 3.608) 5.254 23.501 ( -2.227 0.000 -5.290) 5.740 24.992 ( 5.484 0.000 4.406) 7.034 25.097 ( 6.633 0.000 0.860) 6.689 25.758 ( -9.062 0.000 -8.260) 12.261 25.764 ( -9.960 0.000 -8.185) 12.892 ======================= Grid point 70 (29/72) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 3.740 0.000 3.812) 5.341 1.847 ( 3.863 0.000 4.202) 5.708 2.105 ( 8.875 0.000 12.392) 15.242 2.109 ( 10.306 0.000 5.666) 11.761 2.353 ( 0.912 0.000 8.947) 8.993 2.416 ( 3.936 0.000 1.832) 4.341 2.492 ( -11.024 0.000 7.098) 13.111 2.626 ( 4.300 0.000 -4.961) 6.565 2.709 ( 7.389 0.000 -7.449) 10.492 2.770 ( 1.305 0.000 9.579) 9.668 3.035 ( -5.709 0.000 -14.480) 15.565 3.112 ( -4.955 0.000 -18.179) 18.842 3.369 ( 7.992 0.000 -2.287) 8.313 3.418 ( -5.286 0.000 -11.894) 13.015 3.563 ( -6.731 0.000 -6.513) 9.366 3.693 ( 4.546 0.000 -3.049) 5.474 3.979 ( 3.751 0.000 -4.090) 5.549 4.101 ( 7.705 0.000 -1.271) 7.809 4.133 ( 7.634 0.000 -10.475) 12.962 4.148 ( 6.872 0.000 -5.548) 8.832 4.315 ( 7.168 0.000 -9.158) 11.630 4.523 ( -8.206 0.000 2.051) 8.458 4.636 ( -5.780 0.000 -6.609) 8.780 4.911 ( -6.093 0.000 -1.197) 6.209 4.976 ( 8.017 0.000 12.577) 14.915 4.990 ( -3.945 0.000 -10.765) 11.465 5.076 ( -8.763 0.000 -3.659) 9.496 5.138 ( -3.298 0.000 -0.902) 3.419 5.295 ( -9.069 0.000 -5.393) 10.551 5.600 ( -6.303 0.000 18.586) 19.626 5.685 ( 8.675 0.000 13.463) 16.016 5.995 ( 1.356 0.000 6.229) 6.375 6.057 ( -1.929 0.000 8.866) 9.073 6.102 ( 8.737 0.000 13.921) 16.435 6.369 ( 6.916 0.000 11.488) 13.409 6.709 ( 0.194 0.000 7.676) 7.678 6.933 ( 1.291 0.000 2.457) 2.776 7.079 ( 4.943 0.000 5.886) 7.686 7.224 ( 3.942 0.000 -3.018) 4.965 7.325 ( 10.895 0.000 18.243) 21.249 7.393 ( -8.869 0.000 -3.638) 9.586 7.405 ( 0.943 0.000 9.137) 9.185 7.633 ( -6.788 0.000 1.603) 6.975 7.687 ( -1.761 0.000 -2.229) 2.841 7.796 ( 0.553 0.000 2.775) 2.829 7.979 ( 7.500 0.000 6.641) 10.018 8.206 ( 16.121 0.000 -0.399) 16.126 8.322 ( 0.680 0.000 11.777) 11.796 8.542 ( -0.697 0.000 3.401) 3.472 8.770 ( 3.404 0.000 -0.890) 3.518 9.054 ( 5.694 0.000 -4.781) 7.435 9.088 ( 15.072 0.000 -0.852) 15.096 9.274 ( -4.661 0.000 4.574) 6.530 9.524 ( -1.963 0.000 -2.832) 3.446 9.683 ( -3.136 0.000 -1.434) 3.448 10.109 ( -5.259 0.000 -0.399) 5.274 10.191 ( 0.049 0.000 -4.102) 4.102 10.218 ( 2.915 0.000 -3.090) 4.248 10.414 ( -6.463 0.000 3.405) 7.305 10.514 ( -0.456 0.000 13.908) 13.915 10.811 ( -8.208 0.000 4.107) 9.178 10.943 ( -7.640 0.000 6.030) 9.733 10.969 ( 3.696 0.000 4.563) 5.872 11.275 ( -4.442 0.000 -7.691) 8.882 11.485 ( -5.380 0.000 -14.733) 15.685 11.606 ( 6.725 0.000 -6.515) 9.363 11.794 ( -4.182 0.000 -4.842) 6.397 11.935 ( -13.090 0.000 -4.859) 13.963 11.995 ( -7.804 0.000 -6.104) 9.908 12.420 ( 8.592 0.000 -3.372) 9.230 12.484 ( -11.156 0.000 7.091) 13.219 12.919 ( -0.858 0.000 -2.050) 2.223 13.009 ( 1.551 0.000 -6.692) 6.869 13.274 ( -13.359 0.000 -3.075) 13.709 13.279 ( 4.521 0.000 -12.558) 13.347 13.584 ( -2.405 0.000 1.528) 2.849 13.697 ( 0.194 0.000 2.921) 2.928 13.921 ( -5.947 0.000 9.740) 11.412 14.154 ( -3.096 0.000 0.875) 3.217 14.557 ( -1.315 0.000 9.710) 9.799 14.686 ( -22.236 0.000 4.322) 22.652 14.750 ( -4.370 0.000 5.998) 7.421 15.705 ( 2.811 0.000 -8.058) 8.534 15.988 ( -0.375 0.000 -5.606) 5.618 16.667 ( 2.138 0.000 -4.178) 4.693 16.855 ( -2.121 0.000 0.676) 2.227 17.125 ( -7.481 0.000 -6.138) 9.677 17.166 ( -0.758 0.000 -4.389) 4.454 17.535 ( 23.712 0.000 -18.671) 30.180 17.548 ( 1.165 0.000 -9.066) 9.141 17.879 ( 1.746 0.000 -7.892) 8.083 17.966 ( -0.990 0.000 -8.835) 8.891 18.117 ( 0.841 0.000 -12.241) 12.270 18.371 ( -14.326 0.000 1.361) 14.390 18.506 ( -6.432 0.000 -2.109) 6.769 19.308 ( 7.251 0.000 7.679) 10.561 19.398 ( -9.322 0.000 -8.337) 12.506 20.426 ( 10.538 0.000 -8.695) 13.662 20.679 ( -19.543 0.000 10.359) 22.119 20.805 ( -1.864 0.000 -0.813) 2.033 23.089 ( 8.945 0.000 6.494) 11.054 23.273 ( 2.094 0.000 -0.517) 2.157 23.330 ( 0.197 0.000 4.942) 4.945 23.457 ( -2.743 0.000 -3.102) 4.141 25.093 ( 5.339 0.000 0.073) 5.340 25.205 ( 4.937 0.000 -2.125) 5.375 25.563 ( -10.467 0.000 -7.276) 12.747 25.582 ( -8.812 0.000 -7.590) 11.630 ======================= Grid point 71 (30/72) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 8.383 0.000 0.289) 8.388 1.929 ( 6.685 0.000 9.014) 11.222 2.078 ( -8.913 0.000 3.010) 9.407 2.118 ( -11.483 0.000 8.259) 14.145 2.361 ( 6.661 0.000 7.436) 9.983 2.436 ( -0.808 0.000 7.667) 7.709 2.564 ( 10.902 0.000 7.290) 13.115 2.721 ( 6.435 0.000 -12.459) 14.023 2.736 ( -5.533 0.000 8.551) 10.185 2.880 ( -9.151 0.000 -17.812) 20.025 2.910 ( 9.815 0.000 -10.468) 14.350 3.037 ( -3.863 0.000 -13.352) 13.900 3.346 ( -0.595 0.000 -6.894) 6.919 3.421 ( -7.111 0.000 -3.735) 8.032 3.544 ( 9.195 0.000 -5.097) 10.513 3.692 ( -4.979 0.000 -5.080) 7.113 4.068 ( 5.839 0.000 -9.940) 11.528 4.185 ( -4.466 0.000 -9.677) 10.658 4.194 ( 3.452 0.000 -9.473) 10.083 4.206 ( 2.886 0.000 -10.278) 10.676 4.452 ( 1.951 0.000 -2.362) 3.064 4.528 ( -5.045 0.000 -6.274) 8.051 4.570 ( 11.121 0.000 -3.497) 11.658 4.734 ( -8.463 0.000 -6.753) 10.827 4.958 ( -0.165 0.000 -5.240) 5.243 4.969 ( 2.195 0.000 -6.555) 6.912 5.052 ( -5.200 0.000 -2.667) 5.844 5.080 ( -8.720 0.000 -1.945) 8.934 5.230 ( 10.535 0.000 17.481) 20.410 5.440 ( -9.972 0.000 18.623) 21.125 5.836 ( 6.394 0.000 10.505) 12.298 5.941 ( -4.876 0.000 9.016) 10.250 6.111 ( 6.043 0.000 7.977) 10.007 6.198 ( -0.685 0.000 13.715) 13.732 6.530 ( 8.510 0.000 13.002) 15.540 6.663 ( -4.791 0.000 10.977) 11.977 6.990 ( 5.250 0.000 3.880) 6.528 7.131 ( -8.432 0.000 2.226) 8.721 7.182 ( 6.178 0.000 4.170) 7.454 7.296 ( -3.405 0.000 1.696) 3.804 7.429 ( 0.966 0.000 13.336) 13.371 7.505 ( -5.666 0.000 5.444) 7.857 7.531 ( 7.140 0.000 1.671) 7.333 7.633 ( -3.743 0.000 -2.208) 4.345 7.909 ( 12.578 0.000 3.532) 13.064 8.156 ( 9.739 0.000 10.200) 14.102 8.192 ( -13.495 0.000 6.728) 15.079 8.300 ( -4.092 0.000 13.100) 13.725 8.665 ( 10.174 0.000 -6.731) 12.199 8.788 ( -2.356 0.000 -4.084) 4.716 9.089 ( 2.045 0.000 -2.205) 3.008 9.165 ( -5.553 0.000 0.766) 5.606 9.476 ( 21.026 0.000 -4.756) 21.557 9.578 ( 5.428 0.000 0.748) 5.480 9.651 ( -1.700 0.000 0.524) 1.779 9.855 ( -17.209 0.000 -4.360) 17.753 10.207 ( 1.922 0.000 -1.290) 2.315 10.284 ( -6.105 0.000 3.271) 6.926 10.371 ( 8.505 0.000 7.072) 11.061 10.506 ( -3.448 0.000 10.319) 10.880 10.683 ( -0.936 0.000 11.332) 11.371 10.781 ( -8.290 0.000 6.269) 10.394 11.073 ( 6.964 0.000 0.825) 7.013 11.201 ( -4.955 0.000 -1.971) 5.333 11.448 ( 3.490 0.000 -15.556) 15.942 11.639 ( -14.857 0.000 -9.385) 17.573 11.723 ( 1.787 0.000 -5.234) 5.531 11.736 ( -1.367 0.000 -8.009) 8.124 11.989 ( 9.181 0.000 -6.691) 11.361 12.241 ( -13.876 0.000 0.119) 13.876 12.617 ( 10.803 0.000 -5.281) 12.024 12.813 ( -8.809 0.000 -5.945) 10.627 13.029 ( 1.158 0.000 -7.915) 8.000 13.090 ( -5.875 0.000 -5.967) 8.374 13.395 ( 6.486 0.000 -7.755) 10.110 13.509 ( -5.091 0.000 -3.387) 6.115 13.737 ( 3.678 0.000 7.214) 8.097 13.822 ( -4.732 0.000 9.619) 10.720 14.169 ( 4.536 0.000 4.695) 6.528 14.334 ( -12.859 0.000 6.544) 14.429 14.578 ( 2.651 0.000 8.041) 8.467 14.658 ( -5.073 0.000 8.253) 9.688 15.797 ( 6.378 0.000 -7.101) 9.545 15.924 ( -5.818 0.000 -6.092) 8.424 16.779 ( 8.484 0.000 -1.884) 8.690 16.885 ( 5.225 0.000 1.359) 5.399 16.959 ( -9.417 0.000 -2.762) 9.814 17.036 ( -9.325 0.000 0.808) 9.360 17.625 ( 7.114 0.000 -7.847) 10.591 17.814 ( 8.388 0.000 -16.795) 18.773 17.818 ( -11.760 0.000 -7.274) 13.828 17.930 ( -2.954 0.000 -14.022) 14.330 18.284 ( 3.175 0.000 -3.896) 5.026 18.362 ( 24.653 0.000 -16.381) 29.599 18.385 ( -6.155 0.000 -4.873) 7.850 18.874 ( -26.463 0.000 -17.837) 31.914 19.798 ( 24.351 0.000 14.326) 28.253 20.262 ( -23.201 0.000 12.296) 26.258 20.604 ( 7.945 0.000 -6.905) 10.526 20.733 ( -5.356 0.000 -4.282) 6.857 23.226 ( 5.406 0.000 7.030) 8.869 23.304 ( -2.722 0.000 6.383) 6.939 23.325 ( 3.256 0.000 -0.584) 3.308 23.394 ( -3.629 0.000 -1.340) 3.869 25.211 ( 7.111 0.000 -3.420) 7.890 25.303 ( 5.524 0.000 -4.712) 7.261 25.370 ( -9.274 0.000 -5.792) 10.935 25.426 ( -7.241 0.000 -6.493) 9.726 ======================= Grid point 77 (31/72) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 0.000 5.473 17.809) 18.631 1.219 ( 0.000 -1.749 18.885) 18.966 1.520 ( 0.000 -3.987 23.176) 23.517 1.524 ( 0.000 -7.383 17.944) 19.404 1.935 ( 0.000 6.299 7.522) 9.811 1.965 ( 0.000 2.585 12.187) 12.458 2.258 ( 0.000 14.235 26.680) 30.240 2.515 ( 0.000 -12.671 12.852) 18.048 2.541 ( 0.000 4.528 18.525) 19.071 2.772 ( 0.000 -14.342 25.684) 29.417 3.076 ( 0.000 1.941 0.950) 2.161 3.104 ( 0.000 -0.754 7.791) 7.827 3.222 ( 0.000 5.004 14.876) 15.696 3.291 ( 0.000 -1.356 7.066) 7.194 3.575 ( 0.000 0.814 -12.991) 13.017 3.600 ( 0.000 -1.346 -9.718) 9.811 3.752 ( 0.000 2.766 -16.892) 17.117 3.862 ( 0.000 -7.390 -13.957) 15.792 4.081 ( 0.000 4.091 -4.016) 5.733 4.131 ( 0.000 -0.970 -9.431) 9.481 4.538 ( 0.000 -0.745 9.493) 9.522 4.546 ( 0.000 -1.964 6.130) 6.437 4.714 ( 0.000 10.589 7.843) 13.177 4.749 ( 0.000 6.251 -3.912) 7.374 4.929 ( 0.000 -6.214 -3.659) 7.211 4.957 ( 0.000 -5.686 11.241) 12.597 5.317 ( 0.000 5.462 -3.849) 6.682 5.382 ( 0.000 -4.742 10.808) 11.803 5.401 ( 0.000 -2.196 -5.573) 5.990 5.426 ( 0.000 -6.069 8.348) 10.321 5.846 ( 0.000 11.110 9.298) 14.487 5.875 ( 0.000 6.408 15.672) 16.931 5.940 ( 0.000 -1.262 19.164) 19.205 6.046 ( 0.000 -6.883 8.302) 10.784 6.166 ( 0.000 2.657 0.376) 2.683 6.226 ( 0.000 -2.937 -0.938) 3.083 6.479 ( 0.000 5.344 6.021) 8.050 6.626 ( 0.000 -7.633 4.630) 8.927 6.966 ( 0.000 -0.242 7.066) 7.070 6.990 ( 0.000 -4.367 8.069) 9.175 7.490 ( 0.000 3.002 3.494) 4.606 7.584 ( 0.000 -5.944 1.425) 6.113 7.762 ( 0.000 3.603 -4.561) 5.812 7.802 ( 0.000 6.141 -4.273) 7.481 7.866 ( 0.000 -0.453 -10.242) 10.252 7.894 ( 0.000 -0.286 -6.581) 6.588 7.955 ( 0.000 3.462 1.014) 3.608 7.993 ( 0.000 2.391 8.182) 8.524 8.326 ( 0.000 0.415 -11.580) 11.587 8.432 ( 0.000 -9.754 -12.715) 16.026 8.708 ( 0.000 2.698 0.539) 2.752 8.770 ( 0.000 -2.795 -5.522) 6.189 9.310 ( 0.000 6.406 6.133) 8.868 9.479 ( 0.000 -10.765 -3.633) 11.361 9.976 ( 0.000 8.684 -7.360) 11.384 10.106 ( 0.000 -5.190 1.728) 5.470 10.267 ( 0.000 8.133 -4.016) 9.071 10.442 ( 0.000 -8.504 -6.902) 10.952 10.822 ( 0.000 14.394 -4.899) 15.205 10.987 ( 0.000 1.560 1.579) 2.220 11.018 ( 0.000 -1.558 2.291) 2.771 11.112 ( 0.000 -10.966 -7.610) 13.348 11.394 ( 0.000 4.796 -7.066) 8.539 11.555 ( 0.000 -12.491 -8.517) 15.118 11.809 ( 0.000 9.089 -2.282) 9.371 11.957 ( 0.000 -5.269 3.827) 6.512 12.006 ( 0.000 2.534 -1.086) 2.757 12.064 ( 0.000 -3.479 0.874) 3.587 12.488 ( 0.000 13.945 16.763) 21.805 12.629 ( 0.000 0.914 2.079) 2.271 12.639 ( 0.000 -1.745 0.616) 1.851 12.874 ( 0.000 -23.469 17.312) 29.164 13.279 ( 0.000 0.471 -18.646) 18.652 13.297 ( 0.000 -1.777 -17.964) 18.052 13.872 ( 0.000 12.650 2.748) 12.945 14.115 ( 0.000 -10.295 6.010) 11.921 14.287 ( 0.000 28.974 -10.078) 30.677 14.351 ( 0.000 7.746 9.903) 12.573 14.495 ( 0.000 -8.092 9.824) 12.727 14.736 ( 0.000 -14.303 -15.010) 20.734 15.384 ( 0.000 7.899 7.105) 10.625 15.537 ( 0.000 -6.837 4.831) 8.372 15.724 ( 0.000 -0.033 -2.757) 2.757 15.725 ( 0.000 0.205 -3.864) 3.870 16.394 ( 0.000 4.367 -22.310) 22.733 16.513 ( 0.000 -7.322 -20.895) 22.141 16.799 ( 0.000 5.666 1.062) 5.764 16.882 ( 0.000 -2.799 5.454) 6.130 17.650 ( 0.000 2.202 -15.147) 15.306 17.690 ( 0.000 -1.587 -11.927) 12.032 17.829 ( 0.000 8.604 -5.178) 10.042 18.062 ( 0.000 -14.217 -4.176) 14.818 18.648 ( 0.000 11.079 6.494) 12.842 18.826 ( 0.000 -6.844 7.611) 10.236 18.994 ( 0.000 0.241 3.904) 3.911 19.000 ( 0.000 -0.483 1.943) 2.002 20.158 ( 0.000 0.964 9.432) 9.481 20.189 ( 0.000 -2.035 9.729) 9.939 20.959 ( 0.000 1.968 -4.106) 4.554 20.998 ( 0.000 -1.709 -3.741) 4.113 22.262 ( 0.000 8.779 18.569) 20.539 22.542 ( 0.000 -20.182 14.434) 24.812 23.416 ( 0.000 12.280 -10.234) 15.986 23.545 ( 0.000 -2.561 -10.966) 11.261 24.557 ( 0.000 4.578 11.657) 12.524 24.648 ( 0.000 -3.851 12.153) 12.749 26.079 ( 0.000 0.533 -8.932) 8.948 26.089 ( 0.000 -0.449 -8.982) 8.993 ======================= Grid point 78 (32/72) ======================= q-point: ( 0.09 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 11.005 5.953 16.412) 20.637 1.298 ( 7.239 3.590 18.958) 20.608 1.529 ( 2.280 -8.310 16.300) 18.437 1.585 ( 6.091 -7.193 18.452) 20.720 1.987 ( 4.868 6.514 5.963) 10.084 2.052 ( 8.172 3.047 11.449) 14.393 2.316 ( 3.844 3.363 17.437) 18.169 2.536 ( 3.426 -5.941 11.589) 13.466 2.621 ( 7.637 4.230 20.680) 22.447 2.818 ( 4.311 -10.946 20.192) 23.369 3.020 ( -4.102 1.339 6.362) 7.687 3.066 ( -1.146 3.157 8.022) 8.697 3.292 ( 4.690 1.685 5.870) 7.700 3.388 ( 8.234 -0.622 8.345) 11.740 3.542 ( -3.809 0.913 -12.702) 13.292 3.598 ( -0.288 -1.633 -7.867) 8.040 3.717 ( -2.277 0.741 -17.428) 17.592 3.792 ( -5.585 -4.574 -10.947) 13.114 3.977 ( -3.368 2.334 -12.997) 13.628 4.317 ( -3.283 -1.168 -1.681) 3.869 4.381 ( 6.499 0.597 1.619) 6.724 4.654 ( 0.856 3.012 8.728) 9.272 4.697 ( -1.951 10.140 3.392) 10.869 4.825 ( 5.642 -2.165 -0.528) 6.066 4.931 ( 2.928 -1.564 0.595) 3.373 5.038 ( 5.646 -4.451 5.443) 9.018 5.316 ( -1.359 3.606 0.101) 3.855 5.377 ( -1.052 -0.200 0.109) 1.077 5.405 ( -0.295 -6.933 8.063) 10.638 5.433 ( 1.146 -6.337 -0.600) 6.468 5.782 ( -1.235 6.775 7.988) 10.546 5.864 ( -2.471 1.774 10.834) 11.253 6.013 ( 5.557 0.522 18.800) 19.611 6.055 ( -2.797 -1.818 5.112) 6.104 6.244 ( 5.383 5.312 -2.474) 7.957 6.312 ( 10.563 -3.442 5.042) 12.200 6.498 ( 2.678 4.277 5.819) 7.702 6.676 ( 6.733 -7.085 6.970) 12.004 6.982 ( 1.332 0.040 8.654) 8.756 7.033 ( 4.121 -3.967 5.334) 7.821 7.434 ( -4.031 2.586 2.707) 5.501 7.484 ( -9.025 0.206 -4.053) 9.895 7.645 ( -7.328 -0.938 -9.317) 11.890 7.713 ( -0.612 -1.550 4.618) 4.910 7.863 ( 0.097 2.485 -2.698) 3.669 7.937 ( 0.262 2.762 -0.947) 2.932 8.036 ( 3.335 5.324 -0.673) 6.318 8.207 ( 13.145 0.782 4.389) 13.880 8.327 ( 1.120 0.357 -8.653) 8.733 8.447 ( 1.124 -9.098 -6.477) 11.225 8.717 ( 2.102 1.202 -3.116) 3.946 8.748 ( -0.787 -1.653 -6.357) 6.615 9.304 ( -0.381 6.606 6.536) 9.300 9.485 ( 0.344 -11.109 -4.288) 11.913 9.932 ( -3.338 4.784 -5.598) 8.085 10.141 ( 1.700 -1.630 -0.797) 2.486 10.283 ( 1.810 4.531 -4.090) 6.366 10.388 ( -5.116 -4.816 -6.299) 9.436 10.764 ( -5.523 8.747 -0.657) 10.366 10.965 ( -1.365 1.529 -1.336) 2.446 10.992 ( -3.167 -0.316 2.989) 4.366 11.103 ( -1.808 -5.634 -7.552) 9.594 11.314 ( -8.434 -1.380 -0.924) 8.596 11.548 ( -0.481 -6.933 -11.207) 13.187 11.819 ( 1.779 5.962 -1.695) 6.448 11.912 ( -8.139 1.557 0.608) 8.309 11.962 ( -4.533 1.246 0.095) 4.702 12.036 ( -2.919 -3.341 3.418) 5.601 12.427 ( -1.805 1.438 14.350) 14.534 12.566 ( -5.458 -0.721 0.116) 5.506 12.614 ( -2.399 0.825 1.339) 2.869 12.847 ( -2.743 -6.072 17.389) 18.622 13.240 ( -3.346 -1.985 -16.141) 16.603 13.258 ( -3.631 -2.343 -9.934) 10.833 13.765 ( -13.268 13.871 -2.320) 19.335 13.908 ( -13.274 15.462 2.988) 20.596 14.062 ( -5.297 -9.527 6.006) 12.445 14.383 ( 1.549 0.318 8.173) 8.324 14.556 ( 2.515 -2.061 6.765) 7.506 14.663 ( -14.866 -8.662 -2.304) 17.359 15.361 ( -13.027 2.611 -2.492) 13.518 15.606 ( 14.629 2.843 -11.126) 18.598 15.764 ( 2.913 -0.085 -4.204) 5.115 15.830 ( 6.741 -6.616 -6.018) 11.200 16.210 ( -12.746 -0.296 8.749) 15.463 16.457 ( 4.999 9.176 -13.928) 17.412 16.828 ( 16.140 -5.091 -25.419) 30.538 17.316 ( 8.334 0.561 -7.599) 11.292 17.417 ( -20.409 -0.688 -11.204) 23.292 17.739 ( -5.895 3.495 -9.378) 11.615 17.820 ( 11.161 0.476 -4.327) 11.980 17.995 ( -4.403 -6.068 -1.057) 7.571 18.415 ( -10.875 1.614 5.795) 12.428 18.838 ( -3.519 0.203 7.599) 8.377 18.934 ( -5.587 -0.329 3.609) 6.659 19.292 ( 16.618 -0.504 6.260) 17.765 19.828 ( -14.360 -0.059 0.682) 14.376 20.483 ( 13.489 -0.499 10.124) 16.874 20.619 ( -20.299 0.509 -8.597) 22.051 21.167 ( 4.631 -0.035 1.303) 4.811 22.368 ( 10.307 6.173 13.027) 17.721 22.697 ( 13.896 -14.982 10.766) 23.097 23.316 ( -2.534 6.842 -6.557) 9.810 23.625 ( 0.294 0.254 -10.917) 10.924 24.679 ( 9.936 1.090 9.906) 14.073 24.740 ( 9.161 -0.404 9.449) 13.167 26.037 ( -4.194 0.332 -8.963) 9.901 26.050 ( -4.121 -0.295 -8.875) 9.789 ======================= Grid point 79 (33/72) ======================= q-point: ( 0.18 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 8.492 5.593 17.512) 20.250 1.516 ( 15.438 6.113 12.395) 20.721 1.629 ( 7.706 -7.735 13.001) 16.977 1.757 ( 11.613 -9.690 8.881) 17.540 2.105 ( 6.958 5.998 3.493) 9.828 2.230 ( 8.896 4.881 12.059) 15.761 2.394 ( 4.648 -2.770 8.282) 9.893 2.577 ( 0.525 -5.420 4.466) 7.042 2.800 ( 6.822 2.226 11.913) 13.907 2.851 ( -3.071 -2.136 7.318) 8.219 2.971 ( -0.026 4.130 8.180) 9.163 3.171 ( 12.820 -2.633 12.542) 18.127 3.354 ( 1.663 0.814 -1.056) 2.132 3.424 ( -6.658 3.097 -13.830) 15.659 3.559 ( 6.525 1.140 -1.476) 6.786 3.573 ( -1.422 -2.581 -10.485) 10.891 3.691 ( 0.955 0.322 -12.534) 12.575 3.746 ( 0.846 -2.695 -1.242) 3.086 3.941 ( 0.877 -0.055 -11.178) 11.212 4.154 ( -7.982 -1.526 -1.644) 8.291 4.581 ( 6.471 0.873 0.464) 6.546 4.635 ( -3.066 10.987 -7.202) 13.490 4.666 ( 1.593 0.913 13.836) 13.957 4.814 ( -4.237 -4.832 -2.055) 6.747 5.065 ( 5.696 0.677 -3.067) 6.505 5.117 ( 1.587 -2.418 3.787) 4.765 5.252 ( -4.857 2.199 0.142) 5.333 5.351 ( -2.589 0.991 -5.361) 6.035 5.386 ( 1.763 -3.787 10.699) 11.486 5.459 ( 0.421 -5.345 2.094) 5.756 5.780 ( -1.723 2.002 8.517) 8.917 5.806 ( -1.139 0.997 8.316) 8.452 6.004 ( -1.641 -2.173 5.724) 6.339 6.090 ( 2.231 -0.281 16.029) 16.186 6.364 ( -2.838 0.506 6.305) 6.933 6.401 ( 10.792 3.651 -2.842) 11.742 6.704 ( 13.492 -2.212 6.636) 15.198 6.882 ( 12.142 1.998 4.881) 13.238 7.010 ( 1.473 -0.220 10.062) 10.172 7.102 ( 1.596 -1.018 2.288) 2.969 7.361 ( 2.941 0.167 -1.722) 3.412 7.417 ( -0.817 -2.287 -1.748) 2.992 7.586 ( 3.013 0.190 -1.375) 3.318 7.705 ( -1.768 -2.724 4.066) 5.204 7.850 ( -1.609 1.848 0.513) 2.503 7.948 ( 1.011 3.192 -0.343) 3.365 7.988 ( -6.405 3.531 -0.824) 7.360 8.338 ( -0.098 0.930 3.517) 3.639 8.373 ( 1.853 -0.362 -3.283) 3.787 8.485 ( 4.928 -7.454 8.453) 12.301 8.820 ( 8.045 3.503 -7.654) 11.643 8.830 ( 9.241 1.733 -5.808) 11.051 9.301 ( -0.026 3.488 7.384) 8.166 9.481 ( -0.911 -12.265 -6.067) 13.713 9.882 ( -1.128 1.313 -5.790) 6.043 10.086 ( -9.250 -1.602 1.756) 9.551 10.288 ( -2.779 3.251 -1.267) 4.460 10.339 ( 2.678 -1.144 -8.393) 8.884 10.649 ( -5.207 3.645 1.408) 6.510 10.872 ( -9.756 -0.657 5.043) 11.002 10.943 ( -1.901 2.094 -7.683) 8.187 11.010 ( -6.332 5.642 2.476) 8.835 11.136 ( -7.544 -7.839 5.145) 12.035 11.537 ( -1.191 -2.262 -11.523) 11.803 11.668 ( -13.165 0.895 -2.871) 13.504 11.802 ( -6.627 2.237 -7.771) 10.455 11.924 ( 4.284 2.237 1.756) 5.142 11.959 ( -4.334 -1.028 6.682) 8.031 12.425 ( -9.366 -1.102 -0.354) 9.437 12.441 ( -2.014 -2.300 1.461) 3.388 12.623 ( 6.573 0.688 4.484) 7.987 12.785 ( -4.510 4.600 15.822) 17.084 13.126 ( -7.087 0.986 -8.957) 11.464 13.204 ( -0.397 -4.965 -10.568) 11.683 13.611 ( -1.852 6.356 3.891) 7.679 13.755 ( -7.000 4.343 0.064) 8.238 13.873 ( -13.952 -9.347 0.662) 16.806 14.240 ( -12.387 -5.499 6.596) 15.073 14.517 ( 0.308 2.794 8.863) 9.299 14.597 ( 0.438 0.053 3.767) 3.793 15.058 ( -16.338 10.111 -2.850) 19.424 15.582 ( -19.142 -11.073 -7.768) 23.438 15.780 ( -2.200 0.306 -8.990) 9.261 15.868 ( 2.005 -0.749 -4.602) 5.075 16.376 ( 24.866 0.126 -5.470) 25.460 16.685 ( 15.751 8.503 -9.781) 20.398 16.948 ( -11.362 -2.645 -9.224) 14.871 17.175 ( 5.653 -1.342 -16.628) 17.614 17.241 ( -10.854 1.186 -9.727) 14.623 17.620 ( -5.540 -0.667 -13.442) 14.554 17.916 ( -1.694 -2.160 -0.797) 2.859 18.047 ( 7.436 -0.060 -2.498) 7.845 18.237 ( -8.992 0.297 1.574) 9.134 18.756 ( -7.687 2.063 1.377) 8.077 18.830 ( -0.077 -2.126 12.914) 13.088 19.210 ( -19.877 0.241 13.865) 24.236 19.894 ( 15.792 -0.004 -11.647) 19.622 20.227 ( -20.294 0.393 -13.057) 24.135 20.691 ( 7.987 -0.339 7.372) 10.874 21.170 ( -4.377 0.034 5.176) 6.779 22.620 ( 14.472 2.800 6.896) 16.274 22.973 ( 12.605 -7.660 5.082) 15.601 23.335 ( 3.064 4.712 -4.272) 7.060 23.560 ( -5.077 -0.310 -6.786) 8.480 24.868 ( 9.323 -0.198 7.841) 12.183 24.932 ( 8.710 0.301 4.709) 9.906 25.923 ( -7.383 0.291 -8.827) 11.511 25.933 ( -7.724 -0.298 -8.636) 11.590 ======================= Grid point 80 (34/72) ======================= q-point: ( 0.27 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 6.462 -2.377 9.101) 11.412 1.803 ( 14.254 -2.812 15.063) 20.928 1.834 ( 12.241 7.256 4.393) 14.893 1.999 ( 11.584 -3.787 5.823) 13.507 2.228 ( 4.810 3.746 4.324) 7.474 2.358 ( 4.178 3.891 9.823) 11.361 2.491 ( 4.268 -4.604 4.137) 7.518 2.564 ( -0.950 -4.554 -1.884) 5.019 2.734 ( -6.379 -0.049 3.464) 7.258 2.837 ( -2.153 3.473 8.060) 9.037 3.027 ( 4.122 -0.420 -1.036) 4.271 3.230 ( -6.065 -0.511 -17.818) 18.829 3.324 ( -1.718 2.526 -6.996) 7.634 3.519 ( 4.374 -0.417 0.183) 4.397 3.575 ( -0.434 -1.344 -11.318) 11.406 3.610 ( 7.711 -2.372 -9.073) 12.141 3.716 ( 3.297 -0.689 -2.543) 4.220 3.913 ( 14.294 3.671 6.479) 16.117 4.014 ( 2.414 -0.559 -6.718) 7.160 4.051 ( 1.858 -2.700 -5.501) 6.403 4.503 ( -7.474 9.907 -7.940) 14.732 4.633 ( -5.180 -2.356 1.178) 5.811 4.719 ( -2.243 -2.096 -4.454) 5.410 4.755 ( 5.748 -0.547 13.376) 14.569 5.047 ( -5.933 -1.869 -9.518) 11.371 5.084 ( -4.260 -0.845 -4.337) 6.138 5.181 ( -3.919 1.465 3.160) 5.243 5.277 ( -4.978 1.770 -4.761) 7.112 5.404 ( -3.427 -2.029 -5.108) 6.477 5.506 ( 6.881 -2.255 15.494) 17.102 5.710 ( -3.646 0.980 15.118) 15.582 5.894 ( 8.886 1.788 11.122) 14.347 5.988 ( 0.273 -1.370 5.883) 6.047 6.101 ( -1.306 -0.624 11.852) 11.940 6.322 ( -0.166 1.046 8.337) 8.404 6.608 ( 8.946 -0.675 2.578) 9.334 6.895 ( 5.911 -0.601 3.664) 6.981 7.000 ( -0.155 0.547 4.411) 4.447 7.067 ( 7.179 0.412 7.073) 10.086 7.160 ( 7.233 2.085 6.996) 10.276 7.384 ( -2.087 -4.238 -1.394) 4.925 7.570 ( -4.819 -1.198 2.770) 5.687 7.661 ( 11.746 2.062 0.921) 11.961 7.709 ( 6.285 0.065 0.398) 6.298 7.796 ( -3.194 0.908 0.785) 3.412 7.872 ( -1.729 -0.463 3.761) 4.165 7.987 ( 3.492 4.101 -0.247) 5.392 8.304 ( -1.979 -0.631 8.653) 8.899 8.451 ( 8.174 -3.659 0.772) 8.989 8.604 ( 5.212 -2.040 5.269) 7.687 8.995 ( 7.897 3.697 0.527) 8.736 9.011 ( 9.615 9.396 -8.768) 16.050 9.292 ( -1.289 -0.756 7.742) 7.885 9.454 ( -1.340 -12.901 -6.700) 14.599 9.822 ( -14.011 -1.036 1.945) 14.183 9.910 ( 2.881 -3.460 -4.780) 6.567 10.277 ( 1.114 5.659 1.294) 5.911 10.354 ( -2.241 -0.281 -6.133) 6.535 10.564 ( -5.361 3.367 3.910) 7.440 10.662 ( -8.522 0.550 5.719) 10.278 10.854 ( -4.834 1.443 -3.879) 6.364 10.948 ( -4.900 -0.919 4.899) 6.989 11.041 ( -0.151 -1.143 4.102) 4.261 11.419 ( -9.234 -4.462 -3.622) 10.876 11.540 ( -2.273 5.112 -13.047) 14.195 11.675 ( -5.604 1.843 -10.554) 12.091 11.863 ( -4.362 -1.540 3.739) 5.948 12.003 ( -1.711 -1.322 -4.554) 5.041 12.231 ( -6.763 1.985 -1.064) 7.128 12.347 ( -6.074 -2.321 -1.311) 6.633 12.642 ( -8.833 -0.754 11.546) 14.557 12.814 ( 10.585 0.219 3.452) 11.136 13.072 ( 0.056 4.902 -7.502) 8.962 13.211 ( 0.532 -2.940 -11.246) 11.636 13.491 ( -16.161 -4.367 0.472) 16.748 13.589 ( -1.777 -0.966 2.851) 3.496 13.738 ( -1.226 0.555 0.313) 1.381 14.052 ( -7.787 -1.063 9.797) 12.560 14.447 ( -8.835 10.976 -2.472) 14.306 14.588 ( -1.107 -1.915 6.702) 7.057 14.817 ( -7.406 4.352 5.902) 10.422 15.079 ( -28.646 -11.676 -1.263) 30.960 15.738 ( -1.126 3.324 -7.961) 8.700 15.912 ( 1.963 -2.637 -4.713) 5.746 16.765 ( 1.220 2.900 -5.247) 6.118 16.923 ( 11.115 2.499 -9.787) 15.019 16.965 ( 11.882 0.548 -8.911) 14.862 17.049 ( 3.203 -3.485 -10.129) 11.180 17.223 ( -3.041 -0.640 -10.477) 10.928 17.573 ( 1.576 0.609 -13.685) 13.789 17.918 ( 1.692 -1.049 -3.715) 4.215 18.043 ( -10.163 1.798 -2.625) 10.650 18.113 ( -0.421 -0.813 -8.709) 8.757 18.594 ( -7.660 -1.139 -2.426) 8.115 18.760 ( -20.207 -0.433 10.475) 22.765 18.990 ( 11.731 0.876 16.839) 20.542 19.820 ( -21.962 0.185 -16.022) 27.186 20.193 ( 13.903 0.097 -10.051) 17.156 20.794 ( 2.797 -0.259 3.334) 4.360 20.999 ( -13.078 0.019 8.048) 15.356 22.887 ( 12.477 0.901 5.294) 13.583 23.156 ( 6.567 -3.357 3.568) 8.193 23.384 ( 1.123 4.686 -1.719) 5.116 23.478 ( -2.896 -2.156 -4.455) 5.734 25.017 ( 5.742 2.400 3.645) 7.213 25.070 ( 6.249 -2.511 1.875) 6.991 25.757 ( -9.794 -0.038 -8.139) 12.734 25.765 ( -9.109 0.091 -8.477) 12.443 ======================= Grid point 81 (35/72) ======================= q-point: ( 0.36 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 8.134 -2.275 3.161) 9.018 1.964 ( -0.290 6.362 5.515) 8.425 2.093 ( 13.331 0.179 9.944) 16.632 2.129 ( 1.779 0.227 5.921) 6.186 2.318 ( 3.899 -2.111 8.186) 9.310 2.344 ( -3.147 -5.198 9.507) 11.283 2.510 ( -3.610 1.637 2.590) 4.735 2.620 ( 9.255 -0.693 -7.484) 11.923 2.697 ( 4.059 -0.656 -5.496) 6.864 2.811 ( -0.598 2.253 10.035) 10.303 3.023 ( -5.109 -0.688 -14.832) 15.703 3.115 ( -5.073 0.024 -18.617) 19.296 3.388 ( 7.607 1.359 -2.478) 8.115 3.448 ( -5.473 2.412 -12.113) 13.509 3.542 ( -5.263 -1.739 -4.722) 7.281 3.674 ( 2.872 -1.392 -3.588) 4.802 3.974 ( 10.447 -1.136 -4.393) 11.390 3.998 ( 5.363 -3.118 -10.660) 12.334 4.121 ( 6.302 1.274 -2.484) 6.893 4.305 ( 16.665 3.434 -0.520) 17.023 4.365 ( -5.058 6.745 -11.186) 14.008 4.486 ( -7.447 -3.658 -0.522) 8.314 4.627 ( -5.903 -0.845 -6.683) 8.957 4.878 ( -1.919 -2.355 -0.549) 3.087 4.961 ( -0.641 -0.068 0.878) 1.089 4.987 ( -2.914 -1.156 -5.611) 6.427 5.062 ( -4.296 0.063 5.159) 6.714 5.175 ( -5.423 1.647 -2.514) 6.200 5.286 ( -8.064 -0.567 -5.768) 9.930 5.605 ( -5.883 0.345 17.624) 18.583 5.681 ( 8.332 -0.219 13.630) 15.976 6.004 ( 2.130 0.763 5.701) 6.134 6.046 ( -3.419 -0.924 8.972) 9.645 6.104 ( 9.307 0.190 15.156) 17.787 6.387 ( 6.724 1.106 11.569) 13.427 6.706 ( 1.333 -0.161 7.472) 7.591 6.956 ( 1.839 2.102 2.708) 3.890 7.019 ( 2.714 -3.747 5.541) 7.219 7.242 ( 7.091 1.163 2.317) 7.550 7.337 ( -0.109 -3.607 9.124) 9.812 7.369 ( 9.097 1.761 3.694) 9.975 7.403 ( -4.589 -0.270 -0.137) 4.599 7.610 ( -7.661 2.146 4.744) 9.263 7.681 ( -7.227 -2.713 4.554) 8.962 7.843 ( 4.484 1.419 2.074) 5.140 7.980 ( 2.575 0.874 2.826) 3.922 8.206 ( 12.694 0.168 4.173) 13.364 8.338 ( 9.489 1.086 3.753) 10.262 8.565 ( -1.444 0.988 6.670) 6.895 8.693 ( 6.556 -3.618 -0.927) 7.545 9.072 ( 1.165 0.875 -2.071) 2.533 9.215 ( 1.896 1.528 0.544) 2.495 9.255 ( 5.672 7.914 0.887) 9.777 9.466 ( 4.132 -7.410 -4.024) 9.390 9.628 ( -4.216 -3.065 -0.712) 5.261 9.994 ( 4.338 -5.278 -1.771) 7.058 10.239 ( -8.929 4.690 -4.125) 10.897 10.299 ( -1.490 0.612 -1.344) 2.098 10.427 ( -4.822 5.523 9.033) 11.634 10.585 ( -2.026 -2.877 10.192) 10.782 10.766 ( -4.367 2.184 2.575) 5.520 10.854 ( -2.843 -4.068 4.512) 6.708 11.071 ( 1.143 4.540 2.071) 5.120 11.267 ( -6.414 -4.092 -2.346) 7.962 11.465 ( -5.243 4.086 -9.845) 11.879 11.596 ( -4.149 -4.599 -10.231) 11.960 11.810 ( -0.404 0.550 -6.208) 6.246 11.853 ( -6.938 -0.761 -9.313) 11.638 12.115 ( -8.679 6.169 -4.575) 11.589 12.277 ( -4.597 -9.268 1.314) 10.429 12.552 ( 3.078 3.750 4.107) 6.357 12.954 ( 1.715 3.443 -1.836) 4.262 13.055 ( -1.797 -2.950 -5.573) 6.557 13.152 ( -9.695 -0.571 -14.129) 17.145 13.308 ( 1.934 -1.186 -1.246) 2.588 13.586 ( 0.513 -0.407 0.535) 0.846 13.720 ( -0.727 1.505 4.041) 4.373 13.924 ( -5.665 0.109 9.931) 11.434 14.259 ( -8.157 9.310 -1.609) 12.482 14.557 ( -7.915 -3.676 7.719) 11.651 14.579 ( -14.408 -6.104 1.899) 15.763 14.721 ( -4.892 -1.268 10.256) 11.433 15.757 ( 3.172 3.948 -7.899) 9.383 15.942 ( 0.980 -3.658 -5.165) 6.405 16.747 ( -3.373 6.569 -4.098) 8.445 16.890 ( 1.962 1.170 -2.111) 3.110 17.053 ( -7.640 -3.240 -2.633) 8.706 17.108 ( 1.564 -5.358 -3.521) 6.600 17.478 ( 13.185 -0.941 -15.643) 20.480 17.671 ( 11.129 5.028 -14.255) 18.771 17.901 ( -3.263 1.603 -7.326) 8.178 17.964 ( 2.649 0.093 -9.330) 9.699 18.079 ( -0.269 -2.921 -12.508) 12.848 18.396 ( -13.274 2.111 2.839) 13.737 18.476 ( -6.235 -2.438 -2.950) 7.316 19.306 ( 5.869 -0.106 6.957) 9.103 19.401 ( -8.393 0.231 -7.524) 11.274 20.427 ( 10.500 0.068 -8.734) 13.658 20.678 ( -19.499 -0.039 10.372) 22.086 20.804 ( -1.805 -0.080 -0.829) 1.988 23.091 ( 8.687 0.109 5.847) 10.472 23.247 ( 3.281 -1.177 3.912) 5.240 23.377 ( -1.249 3.261 0.241) 3.500 23.436 ( -2.261 -2.106 -2.211) 3.800 25.109 ( 4.526 1.307 -0.497) 4.737 25.182 ( 5.344 -1.688 -1.199) 5.731 25.561 ( -10.082 -0.124 -7.504) 12.569 25.590 ( -8.790 0.452 -7.701) 11.695 ======================= Grid point 82 (36/72) ======================= q-point: ( 0.45 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 10.564 0.638 0.130) 10.584 1.937 ( 1.300 1.353 8.716) 8.916 2.018 ( -7.675 -4.085 7.047) 11.192 2.135 ( -10.327 0.617 4.386) 11.237 2.375 ( 6.072 1.442 6.884) 9.292 2.415 ( 1.790 -1.857 8.143) 8.542 2.556 ( 9.930 -0.456 6.206) 11.719 2.751 ( -2.742 1.756 2.550) 4.135 2.759 ( 1.421 1.948 -3.943) 4.621 2.860 ( 2.589 -1.984 -13.313) 13.707 2.901 ( 0.677 -0.241 -14.653) 14.671 3.027 ( -4.855 -0.684 -15.280) 16.047 3.356 ( -1.707 0.621 -8.058) 8.260 3.411 ( -6.271 -0.496 -4.174) 7.550 3.573 ( 8.440 1.791 -1.550) 8.766 3.686 ( -2.567 -0.350 -3.557) 4.401 4.046 ( 4.132 -1.066 -13.139) 13.814 4.110 ( -1.066 -2.264 -10.314) 10.613 4.267 ( 5.975 5.210 -9.818) 12.618 4.305 ( -1.290 4.438 -9.474) 10.541 4.380 ( 2.352 -5.280 -6.583) 8.760 4.508 ( -6.592 -1.389 -8.008) 10.465 4.631 ( 11.448 3.468 2.835) 12.293 4.764 ( -6.173 2.506 -1.084) 6.750 4.888 ( -2.209 -4.453 -8.355) 9.722 4.914 ( -1.663 -3.494 -9.047) 9.840 5.077 ( -3.868 1.077 -2.059) 4.513 5.106 ( -7.209 1.171 -2.824) 7.830 5.229 ( 10.969 -0.042 17.868) 20.966 5.441 ( -10.140 0.109 18.106) 20.752 5.836 ( 6.588 0.024 10.858) 12.700 5.945 ( -5.087 0.236 9.358) 10.654 6.102 ( 6.072 -0.542 8.070) 10.113 6.192 ( -1.105 -0.357 13.768) 13.817 6.544 ( 8.358 0.880 13.168) 15.622 6.674 ( -4.496 0.670 11.235) 12.120 7.012 ( 4.218 2.119 3.904) 6.125 7.071 ( 0.561 -3.657 2.877) 4.687 7.231 ( -0.660 2.792 2.667) 3.917 7.278 ( -2.866 -1.695 3.592) 4.898 7.455 ( -3.587 0.966 8.676) 9.438 7.466 ( -2.368 -0.851 7.511) 7.922 7.546 ( 6.647 -0.602 -0.279) 6.680 7.600 ( 0.218 -1.245 0.564) 1.384 7.932 ( 5.388 1.719 5.347) 7.783 8.011 ( -0.329 -5.891 7.485) 9.531 8.296 ( 2.689 3.318 11.460) 12.230 8.400 ( -7.737 6.193 8.759) 13.226 8.652 ( 11.177 -1.241 -6.337) 12.908 8.768 ( -0.656 -1.247 -4.050) 4.288 9.083 ( 1.011 -0.257 -2.160) 2.399 9.131 ( -4.095 -2.373 1.817) 5.070 9.454 ( 9.551 -0.751 -5.125) 10.865 9.583 ( -1.934 -1.959 -2.000) 3.403 9.672 ( 13.816 4.191 0.697) 14.454 9.952 ( -12.113 5.601 2.266) 13.536 10.120 ( 0.377 -3.803 -4.421) 5.844 10.182 ( -6.307 -6.624 -1.625) 9.290 10.451 ( 4.215 4.602 12.456) 13.932 10.533 ( -3.689 -1.210 14.078) 14.604 10.739 ( 1.842 5.759 4.516) 7.546 10.801 ( -3.478 0.530 1.270) 3.740 11.094 ( 2.367 1.915 5.076) 5.919 11.164 ( -4.443 -3.375 2.217) 6.005 11.391 ( -0.933 -1.770 -10.506) 10.695 11.461 ( -7.565 -8.349 -7.839) 13.725 11.820 ( 2.409 5.129 -11.600) 12.910 11.867 ( 2.141 3.556 -8.500) 9.459 11.977 ( -1.242 1.899 -9.644) 9.907 12.115 ( -10.037 -8.323 -2.830) 13.342 12.719 ( 11.067 6.777 -2.342) 13.187 12.900 ( -6.059 5.695 -7.585) 11.255 12.987 ( -3.896 -6.356 -8.977) 11.669 13.003 ( -4.501 -3.114 -3.871) 6.704 13.420 ( 7.292 1.416 -4.232) 8.549 13.546 ( -4.996 2.279 -3.528) 6.527 13.746 ( 3.440 0.392 7.934) 8.657 13.827 ( -4.556 0.284 9.328) 10.386 14.176 ( -0.002 1.766 2.124) 2.762 14.268 ( -9.849 -5.484 3.422) 11.781 14.569 ( 1.638 -0.428 8.661) 8.825 14.630 ( -4.348 -1.743 10.219) 11.242 15.847 ( 5.429 3.601 -6.981) 9.549 15.932 ( -2.572 -0.145 -5.911) 6.448 16.720 ( 2.363 -1.662 -0.018) 2.889 16.842 ( -9.003 -5.447 0.906) 10.561 17.012 ( 5.938 7.471 -1.431) 9.650 17.108 ( -2.883 1.016 -1.997) 3.652 17.565 ( 4.372 -2.636 -9.513) 10.796 17.726 ( -11.303 -4.643 -8.482) 14.875 17.885 ( 8.384 3.735 -15.133) 17.699 18.017 ( -4.379 4.220 -12.751) 14.127 18.274 ( 3.751 -0.161 -4.855) 6.137 18.312 ( 9.557 -3.390 -10.065) 14.287 18.402 ( 8.543 0.606 -10.075) 13.223 18.872 ( -26.366 -0.074 -17.772) 31.797 19.797 ( 24.287 -0.042 14.388) 28.229 20.261 ( -23.225 -0.045 12.310) 26.286 20.605 ( 7.927 0.034 -6.912) 10.517 20.733 ( -5.310 0.003 -4.277) 6.818 23.228 ( 5.517 0.124 6.464) 8.499 23.287 ( 0.211 -0.697 6.020) 6.064 23.352 ( -0.557 1.745 -0.046) 1.833 23.382 ( -2.876 -1.119 -0.960) 3.232 25.210 ( 5.960 -0.047 -3.550) 6.938 25.275 ( 3.257 -1.444 -3.559) 5.035 25.389 ( -6.135 0.843 -6.707) 9.128 25.435 ( -6.967 0.590 -6.591) 9.609 ======================= Grid point 99 (37/72) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.000 0.000 15.327) 15.327 1.605 ( 0.000 0.000 12.616) 12.616 1.811 ( 0.000 0.000 2.505) 2.505 1.999 ( 0.000 0.000 14.654) 14.654 2.006 ( 0.000 0.000 22.324) 22.324 2.098 ( 0.000 0.000 1.628) 1.628 2.481 ( 0.000 0.000 10.489) 10.489 2.829 ( 0.000 0.000 14.100) 14.100 2.909 ( 0.000 0.000 1.671) 1.671 2.978 ( 0.000 0.000 5.140) 5.140 3.136 ( 0.000 0.000 -10.023) 10.023 3.226 ( 0.000 0.000 -4.177) 4.177 3.272 ( 0.000 0.000 8.598) 8.598 3.415 ( 0.000 0.000 -6.237) 6.237 3.456 ( 0.000 0.000 15.688) 15.688 3.525 ( 0.000 0.000 -4.318) 4.318 3.632 ( 0.000 0.000 -1.679) 1.679 3.727 ( 0.000 0.000 0.352) 0.352 4.061 ( 0.000 0.000 3.202) 3.202 4.218 ( 0.000 0.000 15.225) 15.225 4.600 ( 0.000 0.000 -3.569) 3.569 4.625 ( 0.000 0.000 -0.982) 0.982 4.713 ( 0.000 0.000 -6.686) 6.686 4.813 ( 0.000 0.000 2.635) 2.635 4.823 ( 0.000 0.000 16.665) 16.665 5.194 ( 0.000 0.000 9.160) 9.160 5.246 ( 0.000 0.000 0.566) 0.566 5.259 ( 0.000 0.000 -7.377) 7.377 5.590 ( 0.000 0.000 0.622) 0.622 5.708 ( 0.000 0.000 8.105) 8.105 5.854 ( 0.000 0.000 5.259) 5.259 5.876 ( 0.000 0.000 2.901) 2.901 6.221 ( 0.000 0.000 7.335) 7.335 6.272 ( 0.000 0.000 3.827) 3.827 6.294 ( 0.000 0.000 13.413) 13.413 6.426 ( 0.000 0.000 16.421) 16.421 6.505 ( 0.000 0.000 2.361) 2.361 6.753 ( 0.000 0.000 0.352) 0.352 7.109 ( 0.000 0.000 8.059) 8.059 7.168 ( 0.000 0.000 3.394) 3.394 7.470 ( 0.000 0.000 -2.884) 2.884 7.541 ( 0.000 0.000 -9.820) 9.820 7.598 ( 0.000 0.000 -8.085) 8.085 7.614 ( 0.000 0.000 -5.708) 5.708 7.696 ( 0.000 0.000 -9.066) 9.066 7.866 ( 0.000 0.000 -9.139) 9.139 7.937 ( 0.000 0.000 -2.691) 2.691 7.943 ( 0.000 0.000 5.373) 5.373 8.088 ( 0.000 0.000 -9.541) 9.541 8.477 ( 0.000 0.000 -0.644) 0.644 8.557 ( 0.000 0.000 -10.337) 10.337 8.736 ( 0.000 0.000 1.255) 1.255 9.491 ( 0.000 0.000 13.339) 13.339 9.613 ( 0.000 0.000 2.546) 2.546 9.693 ( 0.000 0.000 1.133) 1.133 10.177 ( 0.000 0.000 0.650) 0.650 10.255 ( 0.000 0.000 1.850) 1.850 10.389 ( 0.000 0.000 -4.868) 4.868 10.565 ( 0.000 0.000 -6.964) 6.964 10.959 ( 0.000 0.000 -8.199) 8.199 11.019 ( 0.000 0.000 2.580) 2.580 11.179 ( 0.000 0.000 1.858) 1.858 11.229 ( 0.000 0.000 -5.056) 5.056 11.532 ( 0.000 0.000 -10.457) 10.457 11.665 ( 0.000 0.000 -0.716) 0.716 11.875 ( 0.000 0.000 -4.496) 4.496 12.079 ( 0.000 0.000 0.689) 0.689 12.116 ( 0.000 0.000 -3.404) 3.404 12.644 ( 0.000 0.000 17.549) 17.549 12.659 ( 0.000 0.000 -1.317) 1.317 12.671 ( 0.000 0.000 3.188) 3.188 12.846 ( 0.000 0.000 -15.947) 15.947 12.944 ( 0.000 0.000 -13.464) 13.464 13.593 ( 0.000 0.000 6.484) 6.484 13.755 ( 0.000 0.000 0.806) 0.806 13.822 ( 0.000 0.000 9.238) 9.238 14.268 ( 0.000 0.000 -6.695) 6.695 14.538 ( 0.000 0.000 12.794) 12.794 14.677 ( 0.000 0.000 -2.270) 2.270 14.764 ( 0.000 0.000 7.832) 7.832 15.476 ( 0.000 0.000 7.918) 7.918 15.584 ( 0.000 0.000 -6.616) 6.616 15.642 ( 0.000 0.000 -10.390) 10.390 15.710 ( 0.000 0.000 3.692) 3.692 15.993 ( 0.000 0.000 -5.600) 5.600 16.053 ( 0.000 0.000 -25.116) 25.116 16.915 ( 0.000 0.000 10.437) 10.437 16.958 ( 0.000 0.000 -4.512) 4.512 17.251 ( 0.000 0.000 -20.897) 20.897 17.566 ( 0.000 0.000 -1.622) 1.622 17.631 ( 0.000 0.000 -5.803) 5.803 18.145 ( 0.000 0.000 -7.688) 7.688 18.615 ( 0.000 0.000 7.488) 7.488 19.001 ( 0.000 0.000 -1.492) 1.492 19.015 ( 0.000 0.000 5.086) 5.086 19.109 ( 0.000 0.000 5.919) 5.919 20.350 ( 0.000 0.000 10.159) 10.159 20.413 ( 0.000 0.000 9.941) 9.941 20.840 ( 0.000 0.000 -5.161) 5.161 20.938 ( 0.000 0.000 -4.208) 4.208 22.495 ( 0.000 0.000 13.499) 13.499 22.987 ( 0.000 0.000 1.751) 1.751 23.074 ( 0.000 0.000 -1.325) 1.325 23.350 ( 0.000 0.000 -10.844) 10.844 24.760 ( 0.000 0.000 13.830) 13.830 24.933 ( 0.000 0.000 12.095) 12.095 25.870 ( 0.000 0.000 -11.343) 11.343 25.883 ( 0.000 0.000 -12.106) 12.106 ======================= Grid point 100 (38/72) ======================= q-point: ( 0.09 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 8.079 0.000 14.340) 16.459 1.639 ( 2.510 0.000 15.333) 15.537 1.866 ( 5.690 0.000 3.509) 6.685 1.955 ( -1.603 0.000 9.824) 9.954 2.045 ( 3.416 0.000 20.702) 20.982 2.177 ( 7.119 0.000 1.524) 7.280 2.526 ( 2.708 0.000 10.781) 11.116 2.841 ( 1.669 0.000 8.187) 8.355 2.878 ( -2.966 0.000 1.263) 3.224 3.064 ( -6.166 0.000 -5.710) 8.404 3.068 ( 7.091 0.000 4.533) 8.417 3.215 ( -3.056 0.000 -5.622) 6.399 3.249 ( 0.244 0.000 14.536) 14.538 3.341 ( -5.892 0.000 -10.091) 11.685 3.397 ( -5.008 0.000 3.219) 5.953 3.522 ( -0.572 0.000 -7.035) 7.058 3.676 ( -2.389 0.000 -9.971) 10.253 3.717 ( 4.507 0.000 14.473) 15.159 3.986 ( -2.878 0.000 13.716) 14.014 4.289 ( -2.387 0.000 0.277) 2.403 4.510 ( -7.890 0.000 -4.311) 8.991 4.529 ( 1.473 0.000 5.256) 5.459 4.761 ( -0.043 0.000 -11.655) 11.655 4.873 ( 4.177 0.000 15.691) 16.238 4.901 ( 6.694 0.000 4.058) 7.828 5.241 ( 3.266 0.000 8.241) 8.864 5.242 ( 0.990 0.000 -2.197) 2.409 5.269 ( -1.962 0.000 -3.570) 4.074 5.519 ( -5.505 0.000 -2.821) 6.186 5.786 ( 6.899 0.000 7.094) 9.896 5.802 ( -2.933 0.000 8.714) 9.194 5.873 ( -0.515 0.000 1.947) 2.014 6.214 ( -3.705 0.000 6.732) 7.684 6.234 ( 2.128 0.000 6.766) 7.092 6.332 ( 1.740 0.000 9.949) 10.100 6.503 ( -0.837 0.000 2.465) 2.603 6.568 ( 13.091 0.000 13.012) 18.457 6.834 ( 6.723 0.000 2.245) 7.088 7.108 ( -0.433 0.000 6.417) 6.432 7.193 ( 1.763 0.000 3.027) 3.503 7.383 ( -5.737 0.000 -4.886) 7.536 7.431 ( -2.119 0.000 0.179) 2.127 7.502 ( -3.955 0.000 -7.205) 8.219 7.741 ( 3.035 0.000 -3.894) 4.937 7.745 ( 5.128 0.000 -5.065) 7.208 7.871 ( -0.714 0.000 -8.743) 8.772 7.944 ( 2.017 0.000 2.461) 3.182 8.123 ( 3.455 0.000 -6.972) 7.781 8.176 ( 17.724 0.000 -5.438) 18.539 8.529 ( 5.032 0.000 -0.558) 5.063 8.561 ( 0.313 0.000 -10.240) 10.244 8.726 ( -0.667 0.000 1.234) 1.403 9.434 ( -3.002 0.000 10.196) 10.629 9.643 ( -4.847 0.000 -0.491) 4.872 9.669 ( 3.601 0.000 4.628) 5.864 10.194 ( 1.625 0.000 -1.776) 2.407 10.241 ( -1.798 0.000 1.082) 2.098 10.303 ( -6.614 0.000 -4.196) 7.832 10.613 ( 2.227 0.000 -4.761) 5.256 10.910 ( -4.408 0.000 -7.038) 8.305 10.993 ( -1.996 0.000 2.483) 3.186 11.116 ( -5.310 0.000 -0.308) 5.319 11.274 ( 2.804 0.000 -2.435) 3.713 11.486 ( -4.917 0.000 -10.422) 11.524 11.700 ( 3.108 0.000 -1.234) 3.344 11.805 ( -6.891 0.000 -1.826) 7.129 12.013 ( -6.554 0.000 1.730) 6.779 12.085 ( -3.278 0.000 -3.070) 4.491 12.559 ( -6.230 0.000 0.753) 6.276 12.643 ( -3.130 0.000 3.194) 4.472 12.665 ( 1.998 0.000 12.804) 12.959 12.831 ( -1.644 0.000 -12.353) 12.462 13.007 ( 3.448 0.000 -10.991) 11.519 13.478 ( -22.371 0.000 8.403) 23.897 13.610 ( 1.703 0.000 5.788) 6.033 13.781 ( -2.001 0.000 7.624) 7.882 14.282 ( -2.431 0.000 -2.577) 3.543 14.580 ( 2.774 0.000 12.136) 12.449 14.610 ( -7.996 0.000 -3.980) 8.931 14.691 ( -6.520 0.000 2.500) 6.983 15.331 ( -19.990 0.000 0.264) 19.992 15.446 ( 1.110 0.000 -3.487) 3.659 15.693 ( 2.870 0.000 -4.440) 5.287 15.809 ( -9.688 0.000 -22.171) 24.195 15.873 ( 18.598 0.000 1.617) 18.668 16.490 ( 23.972 0.000 -13.215) 27.373 16.574 ( -13.039 0.000 13.741) 18.943 17.110 ( 0.795 0.000 -12.064) 12.090 17.126 ( -12.832 0.000 -17.673) 21.840 17.538 ( -7.985 0.000 -7.967) 11.280 17.783 ( 15.631 0.000 0.919) 15.658 18.041 ( -7.286 0.000 -2.018) 7.560 18.527 ( -8.635 0.000 7.112) 11.186 18.857 ( -7.001 0.000 -0.255) 7.006 19.091 ( -1.271 0.000 7.450) 7.558 19.320 ( 19.706 0.000 -2.094) 19.817 19.948 ( -24.729 0.000 9.003) 26.317 20.458 ( -23.741 0.000 -6.933) 24.732 20.689 ( 11.967 0.000 9.806) 15.472 21.165 ( 8.673 0.000 -1.578) 8.815 22.556 ( 6.529 0.000 11.702) 13.400 23.060 ( 0.721 0.000 -0.661) 0.978 23.065 ( 7.012 0.000 1.046) 7.089 23.402 ( 2.577 0.000 -11.179) 11.472 24.845 ( 7.729 0.000 10.422) 12.975 24.969 ( 3.255 0.000 10.879) 11.356 25.833 ( -3.774 0.000 -11.036) 11.663 25.845 ( -3.903 0.000 -11.879) 12.504 ======================= Grid point 101 (39/72) ======================= q-point: ( 0.18 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 1.538 0.000 14.657) 14.738 1.735 ( 13.086 0.000 12.189) 17.884 1.999 ( 5.717 0.000 4.860) 7.504 2.016 ( 8.009 0.000 7.494) 10.968 2.104 ( 2.822 0.000 13.688) 13.976 2.339 ( 8.661 0.000 0.698) 8.689 2.542 ( -1.071 0.000 10.054) 10.111 2.813 ( -2.987 0.000 -0.468) 3.023 2.885 ( 2.067 0.000 3.400) 3.979 2.936 ( -6.528 0.000 -1.509) 6.700 3.054 ( -11.626 0.000 -10.472) 15.647 3.111 ( -2.054 0.000 7.847) 8.112 3.266 ( -2.573 0.000 -10.720) 11.024 3.273 ( -6.241 0.000 -4.970) 7.978 3.399 ( 10.215 0.000 4.423) 11.131 3.510 ( -0.393 0.000 -7.803) 7.813 3.624 ( 0.194 0.000 -4.432) 4.436 3.824 ( 6.061 0.000 9.037) 10.881 3.988 ( 2.705 0.000 14.158) 14.414 4.126 ( -10.301 0.000 -3.927) 11.024 4.340 ( -8.942 0.000 -5.534) 10.516 4.635 ( 4.019 0.000 -0.197) 4.024 4.738 ( -2.890 0.000 -9.700) 10.121 4.962 ( 4.253 0.000 11.529) 12.288 4.974 ( 0.970 0.000 0.793) 1.253 5.158 ( -8.012 0.000 0.504) 8.028 5.260 ( -0.153 0.000 -1.843) 1.849 5.262 ( -1.653 0.000 5.336) 5.586 5.427 ( -3.886 0.000 -5.207) 6.498 5.788 ( 1.095 0.000 12.106) 12.155 5.898 ( 4.958 0.000 3.835) 6.268 5.914 ( 5.037 0.000 8.017) 9.468 6.153 ( -2.314 0.000 7.178) 7.541 6.341 ( -0.981 0.000 8.384) 8.441 6.349 ( 10.166 0.000 3.501) 10.752 6.480 ( -0.541 0.000 3.967) 4.004 6.874 ( 16.966 0.000 7.083) 18.385 6.920 ( 1.216 0.000 2.496) 2.776 7.090 ( -0.192 0.000 0.999) 1.017 7.189 ( -0.922 0.000 3.350) 3.474 7.418 ( 9.553 0.000 4.939) 10.755 7.448 ( 0.054 0.000 -3.410) 3.410 7.551 ( 10.206 0.000 1.200) 10.276 7.767 ( -4.672 0.000 0.104) 4.674 7.788 ( -3.684 0.000 -5.895) 6.952 7.814 ( 4.428 0.000 -1.222) 4.593 8.042 ( 4.644 0.000 4.508) 6.472 8.239 ( 9.844 0.000 -4.444) 10.801 8.419 ( 3.046 0.000 0.914) 3.180 8.636 ( 9.595 0.000 -9.428) 13.452 8.639 ( 5.168 0.000 -1.502) 5.382 8.740 ( 4.164 0.000 -1.802) 4.538 9.426 ( 2.144 0.000 7.015) 7.336 9.534 ( -5.566 0.000 -4.191) 6.967 9.726 ( 2.470 0.000 2.041) 3.204 10.130 ( -9.772 0.000 -1.822) 9.941 10.212 ( -3.135 0.000 1.203) 3.358 10.230 ( 1.686 0.000 -6.558) 6.771 10.587 ( -4.828 0.000 -2.464) 5.421 10.813 ( -5.171 0.000 -4.861) 7.098 10.973 ( -9.193 0.000 0.880) 9.235 10.979 ( 1.012 0.000 1.140) 1.524 11.312 ( 0.825 0.000 0.648) 1.049 11.351 ( -8.459 0.000 -10.113) 13.185 11.641 ( -8.817 0.000 3.389) 9.446 11.683 ( -7.682 0.000 -0.529) 7.700 11.940 ( 2.618 0.000 2.950) 3.944 11.994 ( -5.935 0.000 -2.325) 6.374 12.452 ( -5.263 0.000 0.603) 5.298 12.500 ( -12.912 0.000 3.369) 13.344 12.752 ( 6.737 0.000 8.234) 10.638 12.804 ( -0.147 0.000 -9.042) 9.043 13.020 ( -2.151 0.000 -10.992) 11.200 13.117 ( -13.070 0.000 12.984) 18.423 13.649 ( 1.763 0.000 3.718) 4.115 13.745 ( -1.719 0.000 3.967) 4.324 14.105 ( -16.072 0.000 1.403) 16.133 14.405 ( -10.899 0.000 4.273) 11.706 14.434 ( -13.130 0.000 -2.051) 13.290 14.719 ( 5.540 0.000 7.178) 9.067 15.038 ( -10.365 0.000 7.429) 12.752 15.475 ( 0.379 0.000 -12.348) 12.354 15.555 ( -16.581 0.000 -15.150) 22.459 15.749 ( 3.307 0.000 -6.323) 7.136 16.272 ( 21.260 0.000 -3.433) 21.536 16.549 ( 10.100 0.000 6.207) 11.855 16.797 ( -10.800 0.000 -8.368) 13.662 16.886 ( 8.562 0.000 -14.348) 16.709 17.061 ( -4.617 0.000 -8.933) 10.055 17.394 ( -5.803 0.000 -10.767) 12.231 17.926 ( -4.532 0.000 -0.209) 4.537 17.983 ( 3.959 0.000 -2.138) 4.500 18.309 ( -13.457 0.000 4.224) 14.105 18.703 ( -9.035 0.000 -3.057) 9.538 19.109 ( 4.632 0.000 11.871) 12.742 19.439 ( -26.836 0.000 9.029) 28.314 19.700 ( 18.182 0.000 -7.263) 19.579 19.996 ( -23.842 0.000 -9.839) 25.792 20.848 ( 4.625 0.000 8.035) 9.271 21.233 ( -1.471 0.000 1.279) 1.949 22.742 ( 12.093 0.000 8.091) 14.550 23.122 ( 4.850 0.000 -1.379) 5.042 23.212 ( 7.302 0.000 0.068) 7.302 23.411 ( -1.040 0.000 -8.388) 8.452 25.002 ( 7.293 0.000 4.510) 8.575 25.035 ( 3.030 0.000 7.799) 8.367 25.729 ( -6.846 0.000 -10.286) 12.356 25.737 ( -7.109 0.000 -11.206) 13.271 ======================= Grid point 102 (40/72) ======================= q-point: ( 0.27 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 4.235 0.000 4.106) 5.899 1.930 ( -0.875 0.000 10.759) 10.794 2.082 ( 9.313 0.000 7.855) 12.183 2.131 ( 6.958 0.000 7.024) 9.887 2.274 ( 11.267 0.000 4.363) 12.082 2.481 ( 4.708 0.000 4.508) 6.518 2.506 ( -0.906 0.000 2.348) 2.516 2.707 ( -11.022 0.000 -6.705) 12.901 2.846 ( -1.171 0.000 -2.541) 2.798 2.879 ( -3.684 0.000 8.027) 8.832 2.899 ( -1.610 0.000 -5.865) 6.082 2.959 ( -12.866 0.000 -7.046) 14.669 3.212 ( -3.091 0.000 -9.607) 10.092 3.243 ( 3.149 0.000 0.151) 3.152 3.480 ( 1.223 0.000 -8.080) 8.172 3.507 ( -0.274 0.000 -6.137) 6.143 3.753 ( 9.344 0.000 -7.165) 11.775 3.941 ( -7.853 0.000 -7.137) 10.612 3.997 ( 11.364 0.000 2.599) 11.658 4.076 ( 5.359 0.000 11.262) 12.472 4.179 ( -6.527 0.000 -0.038) 6.527 4.608 ( -8.637 0.000 -6.456) 10.783 4.624 ( -6.418 0.000 -11.806) 13.437 4.912 ( -8.869 0.000 -7.474) 11.599 4.966 ( -1.809 0.000 3.386) 3.839 5.092 ( -1.785 0.000 4.027) 4.405 5.200 ( -3.618 0.000 1.103) 3.783 5.245 ( 1.061 0.000 5.214) 5.321 5.355 ( -3.195 0.000 2.313) 3.944 5.836 ( 4.398 0.000 12.740) 13.478 5.970 ( 0.295 0.000 11.857) 11.860 6.065 ( 7.961 0.000 7.435) 10.893 6.135 ( 2.636 0.000 6.078) 6.625 6.306 ( -1.281 0.000 9.537) 9.623 6.478 ( 4.336 0.000 8.535) 9.573 6.626 ( 13.536 0.000 -1.296) 13.598 6.909 ( -1.176 0.000 1.757) 2.114 7.087 ( 4.401 0.000 4.353) 6.190 7.200 ( 1.754 0.000 3.987) 4.355 7.240 ( 16.343 0.000 1.038) 16.376 7.471 ( 2.670 0.000 -1.617) 3.121 7.529 ( -9.320 0.000 -2.658) 9.692 7.702 ( 2.754 0.000 2.863) 3.973 7.705 ( 1.535 0.000 -0.256) 1.556 7.808 ( 11.732 0.000 6.160) 13.251 7.900 ( 4.412 0.000 -1.215) 4.576 8.078 ( 0.184 0.000 11.250) 11.251 8.451 ( 3.493 0.000 5.312) 6.358 8.488 ( 13.061 0.000 -0.967) 13.097 8.702 ( 1.857 0.000 -1.573) 2.433 8.766 ( 7.200 0.000 0.053) 7.200 8.934 ( 10.053 0.000 -5.878) 11.645 9.455 ( -2.169 0.000 -6.605) 6.952 9.470 ( 0.476 0.000 6.932) 6.948 9.805 ( 7.406 0.000 -7.464) 10.515 9.893 ( -13.803 0.000 3.296) 14.191 10.152 ( -2.658 0.000 -0.682) 2.744 10.228 ( -3.150 0.000 -7.456) 8.094 10.482 ( -4.857 0.000 -4.462) 6.595 10.723 ( -3.834 0.000 -3.632) 5.281 10.807 ( -6.478 0.000 1.284) 6.604 11.016 ( 2.202 0.000 0.892) 2.375 11.188 ( -7.558 0.000 -9.975) 12.515 11.291 ( -3.559 0.000 6.933) 7.793 11.497 ( -9.695 0.000 2.209) 9.944 11.516 ( -2.792 0.000 2.756) 3.923 11.858 ( -8.189 0.000 -2.730) 8.632 12.014 ( 0.888 0.000 -0.226) 0.916 12.199 ( -15.882 0.000 2.311) 16.049 12.349 ( -4.129 0.000 -0.231) 4.135 12.779 ( -5.572 0.000 -12.159) 13.375 12.879 ( 1.422 0.000 1.442) 2.025 12.960 ( -3.010 0.000 16.770) 17.038 12.966 ( 1.605 0.000 -11.139) 11.254 13.648 ( -2.579 0.000 -0.187) 2.586 13.686 ( -11.311 0.000 2.491) 11.582 13.761 ( -9.831 0.000 5.951) 11.492 14.224 ( -7.118 0.000 -2.944) 7.703 14.225 ( -7.717 0.000 8.345) 11.366 14.779 ( -0.612 0.000 9.517) 9.537 14.906 ( -4.143 0.000 3.467) 5.403 15.199 ( -18.524 0.000 0.247) 18.526 15.467 ( -0.118 0.000 -13.162) 13.162 15.815 ( 2.996 0.000 -8.082) 8.620 16.582 ( -5.951 0.000 -5.890) 8.373 16.691 ( 20.781 0.000 -8.313) 22.382 16.846 ( 17.625 0.000 -3.127) 17.900 16.975 ( -2.559 0.000 -3.470) 4.312 17.024 ( 2.097 0.000 -10.090) 10.306 17.342 ( 0.399 0.000 -10.216) 10.223 17.859 ( -2.572 0.000 -2.472) 3.567 17.971 ( -3.715 0.000 -5.455) 6.600 18.020 ( -15.450 0.000 0.694) 15.466 18.510 ( -10.875 0.000 -6.798) 12.825 18.929 ( -24.918 0.000 6.654) 25.791 19.295 ( 14.276 0.000 14.107) 20.071 19.530 ( -24.506 0.000 -12.642) 27.575 20.019 ( 14.714 0.000 -7.438) 16.488 20.878 ( -1.289 0.000 4.895) 5.062 21.113 ( -10.734 0.000 3.475) 11.283 22.989 ( 12.522 0.000 5.492) 13.673 23.209 ( 3.596 0.000 -1.117) 3.765 23.330 ( 4.718 0.000 0.123) 4.720 23.395 ( -0.209 0.000 -5.520) 5.524 25.074 ( 1.097 0.000 3.960) 4.109 25.105 ( 3.506 0.000 0.413) 3.530 25.578 ( -8.386 0.000 -9.435) 12.623 25.579 ( -8.975 0.000 -10.112) 13.520 ======================= Grid point 103 (41/72) ======================= q-point: ( 0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -4.189 0.000 1.556) 4.469 1.833 ( 6.704 0.000 -4.541) 8.097 2.243 ( 4.292 0.000 7.821) 8.921 2.259 ( -5.247 0.000 -1.118) 5.365 2.403 ( 8.540 0.000 -1.584) 8.686 2.457 ( -4.124 0.000 1.948) 4.561 2.575 ( 3.487 0.000 2.135) 4.088 2.621 ( 7.040 0.000 -0.650) 7.070 2.665 ( -12.330 0.000 -4.732) 13.206 2.803 ( -5.510 0.000 2.043) 5.877 2.820 ( -1.317 0.000 -6.693) 6.821 2.960 ( 5.099 0.000 4.506) 6.805 3.151 ( -2.590 0.000 -10.582) 10.894 3.306 ( 2.908 0.000 -5.438) 6.167 3.476 ( -3.549 0.000 -3.707) 5.131 3.549 ( 4.644 0.000 -7.979) 9.232 3.843 ( -1.675 0.000 -8.315) 8.482 3.886 ( 2.226 0.000 -12.733) 12.926 4.033 ( 0.844 0.000 -6.020) 6.078 4.159 ( 1.221 0.000 4.966) 5.114 4.306 ( 12.442 0.000 4.554) 13.249 4.391 ( -10.703 0.000 -11.398) 15.636 4.487 ( -7.692 0.000 -9.794) 12.454 4.738 ( -8.384 0.000 -6.700) 10.733 4.923 ( -1.237 0.000 4.352) 4.524 4.974 ( -7.556 0.000 -4.344) 8.716 5.135 ( -3.504 0.000 -0.299) 3.517 5.202 ( -6.510 0.000 -3.465) 7.375 5.425 ( 9.104 0.000 21.518) 23.365 5.915 ( -5.454 0.000 12.895) 14.001 5.944 ( 5.447 0.000 11.680) 12.888 6.125 ( 4.143 0.000 7.477) 8.548 6.175 ( -2.542 0.000 3.571) 4.383 6.423 ( 10.633 0.000 16.477) 19.610 6.620 ( 9.425 0.000 12.667) 15.789 6.823 ( 4.539 0.000 3.881) 5.972 6.920 ( 3.902 0.000 -2.901) 4.862 7.139 ( -1.215 0.000 -1.394) 1.849 7.230 ( 0.409 0.000 3.066) 3.093 7.367 ( -1.666 0.000 3.511) 3.886 7.541 ( 3.644 0.000 -0.299) 3.657 7.583 ( 18.246 0.000 3.241) 18.532 7.628 ( -5.927 0.000 -2.652) 6.493 7.664 ( -4.354 0.000 4.311) 6.127 7.936 ( -4.930 0.000 13.682) 14.544 8.022 ( 9.212 0.000 -2.409) 9.522 8.250 ( 17.796 0.000 4.962) 18.475 8.530 ( 2.791 0.000 8.814) 9.246 8.544 ( -7.171 0.000 -2.633) 7.639 8.799 ( 4.780 0.000 3.917) 6.180 8.957 ( 8.888 0.000 -4.063) 9.772 9.072 ( 8.203 0.000 -1.322) 8.309 9.412 ( -5.811 0.000 7.857) 9.772 9.462 ( 3.531 0.000 -3.747) 5.148 9.680 ( -5.981 0.000 2.049) 6.322 10.011 ( 8.252 0.000 -11.001) 13.752 10.091 ( -6.445 0.000 -5.334) 8.366 10.129 ( 0.698 0.000 -1.786) 1.917 10.401 ( -4.113 0.000 -5.205) 6.634 10.644 ( -5.541 0.000 -2.359) 6.023 10.768 ( 2.657 0.000 -2.541) 3.676 11.055 ( 1.986 0.000 2.092) 2.885 11.093 ( -1.324 0.000 -10.704) 10.786 11.181 ( -7.112 0.000 11.363) 13.406 11.324 ( -8.177 0.000 2.317) 8.499 11.546 ( 4.896 0.000 -1.270) 5.058 11.688 ( -8.428 0.000 -4.163) 9.400 11.857 ( -16.080 0.000 -3.473) 16.450 11.950 ( -8.559 0.000 1.991) 8.787 12.370 ( 5.372 0.000 -2.704) 6.014 12.570 ( -14.630 0.000 -5.451) 15.613 12.775 ( -7.496 0.000 -12.343) 14.441 12.954 ( 0.723 0.000 8.915) 8.945 13.114 ( 9.031 0.000 -2.338) 9.328 13.357 ( -15.753 0.000 8.674) 17.983 13.552 ( -6.557 0.000 -3.978) 7.670 13.757 ( 3.430 0.000 3.362) 4.803 14.099 ( -5.706 0.000 8.419) 10.171 14.172 ( 1.163 0.000 0.598) 1.308 14.679 ( -11.931 0.000 1.464) 12.020 14.803 ( -3.798 0.000 8.228) 9.062 14.956 ( -6.019 0.000 13.416) 14.704 15.505 ( 4.357 0.000 -11.344) 12.152 15.842 ( -0.782 0.000 -8.945) 8.979 16.586 ( 5.578 0.000 -2.976) 6.322 16.866 ( 0.497 0.000 -0.202) 0.536 17.010 ( -2.658 0.000 -5.499) 6.108 17.056 ( 6.902 0.000 -5.974) 9.128 17.235 ( 19.519 0.000 -11.385) 22.597 17.376 ( 2.701 0.000 -8.093) 8.531 17.784 ( -5.974 0.000 -2.029) 6.309 17.809 ( -3.874 0.000 -6.592) 7.646 17.890 ( -3.089 0.000 -9.720) 10.199 18.287 ( -11.034 0.000 -8.100) 13.688 18.523 ( -16.195 0.000 2.282) 16.355 19.044 ( -25.665 0.000 -14.923) 29.689 19.634 ( 19.981 0.000 13.170) 23.931 20.275 ( 11.964 0.000 -6.645) 13.686 20.808 ( -5.622 0.000 1.303) 5.771 20.836 ( -17.415 0.000 5.556) 18.280 23.202 ( 9.211 0.000 4.549) 10.273 23.265 ( 2.656 0.000 -0.059) 2.657 23.393 ( 1.823 0.000 1.276) 2.225 23.394 ( -0.383 0.000 -3.117) 3.140 25.091 ( 1.156 0.000 -0.062) 1.158 25.153 ( 1.927 0.000 -2.753) 3.361 25.402 ( -9.006 0.000 -8.629) 12.472 25.418 ( -7.891 0.000 -8.580) 11.657 ======================= Grid point 104 (42/72) ======================= q-point: ( 0.45 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 5.249 0.000 -5.863) 7.870 1.991 ( 9.816 0.000 -5.862) 11.433 2.021 ( -12.887 0.000 -8.540) 15.460 2.207 ( -10.983 0.000 -1.795) 11.129 2.391 ( 3.760 0.000 -0.786) 3.841 2.504 ( -6.324 0.000 -5.889) 8.641 2.622 ( 9.867 0.000 -3.762) 10.560 2.648 ( 3.527 0.000 5.195) 6.280 2.715 ( -3.602 0.000 7.564) 8.378 2.745 ( -1.434 0.000 -4.656) 4.871 2.827 ( 6.510 0.000 1.314) 6.641 2.968 ( -5.461 0.000 5.492) 7.745 3.201 ( 8.011 0.000 -6.613) 10.388 3.364 ( -7.673 0.000 -2.679) 8.127 3.390 ( 6.306 0.000 -10.579) 12.316 3.530 ( -6.602 0.000 -9.891) 11.892 3.884 ( 5.726 0.000 -8.134) 9.947 3.963 ( 8.043 0.000 -10.778) 13.448 4.047 ( -10.107 0.000 -5.437) 11.476 4.082 ( -1.128 0.000 -4.571) 4.708 4.302 ( 0.473 0.000 -8.298) 8.312 4.358 ( -5.092 0.000 -8.349) 9.779 4.468 ( 5.454 0.000 -7.559) 9.321 4.597 ( -7.095 0.000 -4.976) 8.666 4.915 ( 3.571 0.000 0.518) 3.608 4.954 ( 4.207 0.000 3.381) 5.397 5.052 ( -5.102 0.000 1.320) 5.271 5.053 ( -8.417 0.000 -0.063) 8.417 5.611 ( 9.461 0.000 18.573) 20.844 5.781 ( -8.060 0.000 15.196) 17.202 6.022 ( 3.416 0.000 7.438) 8.185 6.095 ( -4.100 0.000 5.815) 7.115 6.295 ( 11.171 0.000 10.824) 15.554 6.487 ( -5.799 0.000 15.212) 16.280 6.780 ( 5.812 0.000 11.276) 12.686 6.841 ( -1.053 0.000 7.136) 7.213 7.038 ( 7.383 0.000 -0.141) 7.384 7.160 ( 7.543 0.000 -4.020) 8.548 7.179 ( -5.895 0.000 3.055) 6.639 7.348 ( -7.576 0.000 1.196) 7.670 7.580 ( 0.956 0.000 -2.442) 2.623 7.588 ( 6.370 0.000 7.043) 9.496 7.605 ( -1.640 0.000 4.796) 5.068 7.773 ( -10.191 0.000 14.025) 17.336 7.954 ( 19.034 0.000 1.474) 19.091 8.258 ( 13.999 0.000 -0.149) 14.000 8.303 ( -16.061 0.000 1.906) 16.174 8.490 ( -7.956 0.000 5.041) 9.418 8.561 ( 12.827 0.000 -0.430) 12.834 8.758 ( -7.409 0.000 2.345) 7.771 9.057 ( 5.941 0.000 -0.484) 5.960 9.200 ( -6.010 0.000 1.688) 6.243 9.429 ( 15.843 0.000 0.799) 15.863 9.581 ( 6.337 0.000 -0.755) 6.381 9.643 ( -0.535 0.000 -0.501) 0.732 9.778 ( -17.572 0.000 -2.493) 17.748 10.186 ( 5.061 0.000 -1.404) 5.252 10.292 ( 12.278 0.000 -11.280) 16.673 10.303 ( -6.132 0.000 -2.784) 6.734 10.501 ( -9.237 0.000 -7.818) 12.102 10.874 ( 7.499 0.000 7.076) 10.311 11.031 ( -8.213 0.000 12.320) 14.807 11.106 ( 3.157 0.000 1.386) 3.448 11.174 ( 10.165 0.000 -7.145) 12.425 11.189 ( -4.981 0.000 -0.407) 4.997 11.489 ( -19.790 0.000 -5.761) 20.611 11.582 ( -1.706 0.000 -7.045) 7.248 11.600 ( -1.391 0.000 -7.556) 7.682 11.956 ( 10.517 0.000 2.207) 10.746 12.251 ( -17.395 0.000 -2.484) 17.572 12.494 ( 6.858 0.000 -8.008) 10.543 12.630 ( -7.281 0.000 -12.358) 14.343 12.990 ( 3.661 0.000 7.378) 8.236 13.113 ( -9.395 0.000 8.323) 12.551 13.278 ( 7.759 0.000 -3.071) 8.344 13.419 ( -7.037 0.000 -4.310) 8.252 13.860 ( 6.560 0.000 5.289) 8.427 13.987 ( -6.228 0.000 7.176) 9.501 14.248 ( 6.459 0.000 2.710) 7.004 14.423 ( -11.778 0.000 2.634) 12.069 14.799 ( 2.131 0.000 12.435) 12.616 14.864 ( -4.227 0.000 12.602) 13.292 15.628 ( 7.808 0.000 -9.475) 12.278 15.773 ( -6.181 0.000 -8.958) 10.883 16.749 ( 9.899 0.000 -0.590) 9.917 16.911 ( 4.815 0.000 0.970) 4.912 16.920 ( -6.948 0.000 -1.183) 7.048 17.037 ( -6.674 0.000 -1.032) 6.753 17.466 ( 7.390 0.000 -7.710) 10.680 17.516 ( 10.714 0.000 -12.660) 16.585 17.657 ( -11.030 0.000 -8.207) 13.749 17.692 ( -7.354 0.000 -9.597) 12.091 18.065 ( 21.337 0.000 -12.829) 24.897 18.183 ( 1.168 0.000 -6.605) 6.707 18.289 ( -8.818 0.000 -4.463) 9.883 18.542 ( -26.063 0.000 -15.178) 30.161 20.044 ( 21.824 0.000 10.526) 24.230 20.460 ( -20.909 0.000 7.871) 22.342 20.489 ( 10.224 0.000 -4.762) 11.278 20.670 ( -8.454 0.000 -2.030) 8.695 23.319 ( 2.879 0.000 0.164) 2.883 23.339 ( 4.990 0.000 4.049) 6.426 23.370 ( -2.104 0.000 -0.909) 2.292 23.399 ( -1.285 0.000 2.903) 3.175 25.137 ( 3.839 0.000 -3.789) 5.394 25.199 ( 3.169 0.000 -5.479) 6.330 25.243 ( -7.079 0.000 -6.636) 9.703 25.284 ( -5.744 0.000 -7.405) 9.372 ======================= Grid point 110 (43/72) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.000 0.598 14.215) 14.228 1.504 ( 0.000 -6.231 11.083) 12.715 1.889 ( 0.000 4.991 14.665) 15.491 1.970 ( 0.000 -3.259 21.701) 21.944 2.038 ( 0.000 3.344 6.192) 7.037 2.092 ( 0.000 -1.439 0.607) 1.562 2.538 ( 0.000 6.071 9.636) 11.389 2.711 ( 0.000 -11.032 6.689) 12.901 2.924 ( 0.000 8.436 11.840) 14.538 3.096 ( 0.000 -7.694 5.711) 9.582 3.163 ( 0.000 8.603 0.258) 8.607 3.173 ( 0.000 3.455 -10.085) 10.660 3.257 ( 0.000 -3.025 -2.864) 4.166 3.341 ( 0.000 -7.842 6.693) 10.310 3.512 ( 0.000 6.743 -6.116) 9.104 3.581 ( 0.000 0.753 -4.443) 4.507 3.648 ( 0.000 1.711 7.935) 8.118 3.695 ( 0.000 -2.657 12.165) 12.452 4.037 ( 0.000 -0.417 2.443) 2.478 4.113 ( 0.000 -7.470 11.759) 13.931 4.621 ( 0.000 1.693 -8.980) 9.138 4.651 ( 0.000 2.990 4.341) 5.271 4.662 ( 0.000 -2.713 -12.177) 12.476 4.729 ( 0.000 -4.238 8.515) 9.511 5.031 ( 0.000 11.996 13.488) 18.051 5.182 ( 0.000 -2.556 10.236) 10.550 5.256 ( 0.000 0.552 -1.626) 1.717 5.261 ( 0.000 -0.087 -4.793) 4.794 5.544 ( 0.000 -2.208 3.744) 4.346 5.581 ( 0.000 -6.597 7.867) 10.267 5.967 ( 0.000 8.176 1.288) 8.277 6.004 ( 0.000 6.010 -1.272) 6.143 6.229 ( 0.000 1.058 8.680) 8.744 6.257 ( 0.000 -1.034 7.591) 7.661 6.271 ( 0.000 -1.847 11.994) 12.135 6.315 ( 0.000 -7.397 12.045) 14.135 6.586 ( 0.000 5.525 5.541) 7.825 6.697 ( 0.000 -5.163 2.871) 5.908 7.119 ( 0.000 0.790 8.231) 8.268 7.141 ( 0.000 -1.695 6.962) 7.165 7.452 ( 0.000 -0.508 -7.652) 7.669 7.480 ( 0.000 -3.443 -10.372) 10.929 7.648 ( 0.000 2.005 -6.242) 6.556 7.676 ( 0.000 2.962 -6.963) 7.567 7.684 ( 0.000 2.163 -7.169) 7.489 7.800 ( 0.000 -5.258 -4.802) 7.121 8.004 ( 0.000 4.345 -9.083) 10.069 8.036 ( 0.000 7.914 -3.063) 8.486 8.072 ( 0.000 -0.931 -3.639) 3.756 8.265 ( 0.000 -13.138 -0.877) 13.167 8.668 ( 0.000 4.286 -4.304) 6.074 8.720 ( 0.000 -1.599 -0.227) 1.615 9.504 ( 0.000 1.386 11.972) 12.052 9.545 ( 0.000 -2.928 7.784) 8.316 9.887 ( 0.000 13.962 -1.485) 14.040 10.144 ( 0.000 -10.736 0.724) 10.760 10.218 ( 0.000 4.117 -0.763) 4.187 10.321 ( 0.000 -5.660 -3.790) 6.812 10.680 ( 0.000 10.791 -8.336) 13.636 10.890 ( 0.000 -7.698 -9.933) 12.567 11.037 ( 0.000 2.221 2.668) 3.471 11.119 ( 0.000 -5.541 2.898) 6.253 11.270 ( 0.000 3.918 -5.345) 6.627 11.389 ( 0.000 -9.185 -7.601) 11.922 11.772 ( 0.000 11.071 -1.397) 11.158 11.976 ( 0.000 5.602 -2.402) 6.095 11.994 ( 0.000 -9.774 -0.868) 9.813 12.058 ( 0.000 -3.195 -1.077) 3.372 12.627 ( 0.000 -0.054 2.426) 2.427 12.639 ( 0.000 -1.213 -0.559) 1.335 12.819 ( 0.000 9.251 7.907) 12.170 12.865 ( 0.000 1.168 -13.946) 13.995 12.962 ( 0.000 4.424 -6.992) 8.274 13.242 ( 0.000 -20.292 11.204) 23.180 13.911 ( 0.000 13.245 -0.562) 13.257 14.163 ( 0.000 -10.415 -4.532) 11.358 14.185 ( 0.000 21.640 1.295) 21.679 14.539 ( 0.000 -13.548 -2.093) 13.709 14.584 ( 0.000 4.435 11.775) 12.582 14.693 ( 0.000 -5.950 9.377) 11.106 15.511 ( 0.000 2.482 2.529) 3.543 15.550 ( 0.000 -1.887 -4.792) 5.150 15.695 ( 0.000 3.017 -4.909) 5.761 15.716 ( 0.000 0.446 3.711) 3.738 15.975 ( 0.000 -0.845 -10.853) 10.886 16.005 ( 0.000 -3.618 -22.295) 22.587 16.928 ( 0.000 1.096 3.620) 3.783 16.949 ( 0.000 -0.898 -2.884) 3.021 17.342 ( 0.000 8.098 -13.410) 15.665 17.499 ( 0.000 -6.567 -4.576) 8.004 17.727 ( 0.000 9.379 -5.377) 10.811 17.964 ( 0.000 -13.602 -5.659) 14.732 18.768 ( 0.000 10.989 5.544) 12.309 18.949 ( 0.000 -6.724 4.988) 8.372 19.025 ( 0.000 2.378 0.430) 2.417 19.080 ( 0.000 -2.690 4.232) 5.015 20.359 ( 0.000 1.049 10.210) 10.263 20.391 ( 0.000 -1.906 10.156) 10.333 20.869 ( 0.000 2.545 -4.793) 5.427 20.917 ( 0.000 -2.010 -4.347) 4.789 22.561 ( 0.000 6.801 12.431) 14.170 22.755 ( 0.000 -12.689 8.289) 15.156 23.248 ( 0.000 7.451 -7.188) 10.353 23.335 ( 0.000 -2.013 -10.219) 10.415 24.806 ( 0.000 4.204 13.277) 13.927 24.893 ( 0.000 -3.857 12.401) 12.987 25.875 ( 0.000 0.393 -11.511) 11.517 25.881 ( 0.000 -0.216 -11.898) 11.900 ======================= Grid point 111 (44/72) ======================= q-point: ( 0.09 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 8.095 0.052 11.993) 14.470 1.601 ( 8.915 -3.402 12.181) 15.473 1.871 ( -1.917 3.743 17.435) 17.935 1.986 ( 1.109 -5.118 20.256) 20.922 2.053 ( 2.768 5.348 1.526) 6.212 2.165 ( 6.885 -1.617 0.080) 7.073 2.562 ( 1.817 4.002 10.731) 11.596 2.715 ( 0.714 -8.236 6.598) 10.578 2.944 ( 0.929 5.335 7.118) 8.943 3.051 ( -4.419 -3.408 2.477) 6.105 3.129 ( -2.102 3.323 2.212) 4.512 3.173 ( -0.573 0.567 -4.644) 4.713 3.250 ( -1.277 -3.950 -6.973) 8.115 3.369 ( 3.049 1.126 6.554) 7.316 3.423 ( -7.855 4.747 -8.222) 12.322 3.501 ( -5.205 -1.658 -4.981) 7.393 3.678 ( 0.167 0.447 1.435) 1.512 3.741 ( 3.666 0.003 7.859) 8.672 3.931 ( -1.966 -2.869 17.806) 18.143 4.258 ( 2.281 -2.207 -0.194) 3.179 4.496 ( -3.185 -0.368 7.268) 7.944 4.579 ( -3.189 3.490 -9.611) 10.711 4.692 ( 1.466 -3.118 -10.337) 10.896 4.864 ( 2.698 -1.664 4.354) 5.385 5.039 ( 3.350 8.845 12.777) 15.897 5.214 ( 0.868 -2.182 5.144) 5.654 5.259 ( 1.753 1.422 -2.645) 3.477 5.291 ( 0.978 1.110 0.689) 1.632 5.464 ( -6.319 -3.328 -0.310) 7.148 5.612 ( 2.693 -7.237 10.103) 12.716 5.911 ( -3.293 5.183 3.157) 6.905 5.988 ( -1.405 4.446 1.134) 4.799 6.191 ( -2.156 -0.187 8.952) 9.209 6.235 ( 2.145 -1.235 4.921) 5.509 6.320 ( 2.200 -0.734 9.754) 10.026 6.465 ( 6.688 -1.990 7.229) 10.048 6.609 ( 6.234 2.320 6.660) 9.413 6.810 ( 9.820 -1.710 6.230) 11.754 7.119 ( 0.383 0.386 5.936) 5.960 7.167 ( 1.410 -1.173 6.458) 6.714 7.331 ( -5.344 -2.187 -6.466) 8.669 7.460 ( -8.157 -0.400 -3.829) 9.020 7.486 ( 0.022 0.052 -5.618) 5.618 7.735 ( 4.141 0.289 -3.019) 5.133 7.773 ( 4.083 1.336 -5.699) 7.137 7.903 ( 0.040 1.950 -6.976) 7.243 8.007 ( 1.710 4.854 -3.486) 6.216 8.081 ( 3.410 -2.887 -6.218) 7.657 8.205 ( 15.599 1.761 -5.507) 16.636 8.373 ( 9.655 -7.751 -1.650) 12.490 8.632 ( -2.473 1.379 -3.255) 4.315 8.712 ( -1.027 -0.585 -0.482) 1.276 9.449 ( -3.290 0.942 7.884) 8.595 9.582 ( 1.241 -1.736 10.950) 11.157 9.834 ( -4.573 9.967 -3.589) 11.539 10.141 ( -0.120 -6.743 0.052) 6.744 10.215 ( -1.271 0.167 -3.248) 3.492 10.296 ( -1.640 -0.880 -1.361) 2.306 10.680 ( -0.776 6.387 -7.672) 10.012 10.885 ( -1.382 -1.582 -8.304) 8.566 11.002 ( -2.545 -2.613 1.881) 4.104 11.069 ( -4.888 -2.323 1.937) 5.748 11.272 ( -0.742 0.098 -2.857) 2.953 11.364 ( -1.780 -6.222 -7.544) 9.940 11.784 ( 0.229 7.553 -1.246) 7.658 11.904 ( -7.673 4.862 -1.839) 9.268 11.990 ( -3.025 -2.477 0.983) 4.032 12.020 ( -1.241 -5.080 -2.623) 5.851 12.559 ( -5.500 0.023 0.554) 5.528 12.625 ( -0.620 -0.581 1.429) 1.662 12.733 ( -7.920 3.529 11.858) 14.690 12.866 ( 0.453 4.396 -10.294) 11.202 12.969 ( 1.068 -3.918 -9.380) 10.221 13.289 ( 0.199 -9.257 11.713) 14.931 13.733 ( -10.962 8.666 -0.796) 13.996 13.998 ( -12.830 12.304 5.877) 18.722 14.171 ( -4.787 -8.036 -0.622) 9.374 14.490 ( -5.243 -7.100 2.825) 9.267 14.649 ( 4.664 2.763 6.804) 8.699 14.685 ( -2.193 -0.931 3.642) 4.352 15.305 ( -15.335 -1.392 -3.247) 15.737 15.471 ( -2.746 1.330 -4.469) 5.412 15.683 ( -1.577 -0.999 -5.079) 5.411 15.698 ( -2.928 -3.200 -8.616) 9.646 16.088 ( 15.276 13.194 -9.087) 22.136 16.355 ( 17.402 -10.593 -7.613) 21.749 16.618 ( -6.867 1.645 7.779) 10.506 17.098 ( 0.035 -0.423 -14.321) 14.327 17.147 ( -13.902 0.922 -14.855) 20.366 17.566 ( -11.618 2.201 -8.180) 14.378 17.780 ( 15.924 -0.469 0.224) 15.932 17.982 ( -0.037 -3.693 -0.807) 3.780 18.536 ( -13.746 0.566 6.381) 15.165 18.923 ( -6.259 5.212 0.783) 8.182 19.051 ( -0.798 -3.717 7.354) 8.279 19.311 ( 20.545 -0.524 -2.266) 20.676 19.947 ( -24.450 -0.095 9.021) 26.061 20.464 ( -23.985 0.424 -6.955) 24.976 20.683 ( 12.153 -0.407 9.917) 15.692 21.165 ( 8.728 0.006 -1.509) 8.857 22.600 ( 5.127 3.693 10.748) 12.468 22.860 ( 8.865 -8.432 6.191) 13.712 23.209 ( 0.144 4.045 -4.681) 6.189 23.405 ( 2.752 0.194 -11.046) 11.385 24.878 ( 6.497 2.986 10.521) 12.721 24.941 ( 4.450 -2.627 10.561) 11.758 25.835 ( -3.977 0.134 -11.242) 11.926 25.844 ( -3.811 -0.029 -11.638) 12.246 ======================= Grid point 112 (45/72) ======================= q-point: ( 0.18 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 10.405 3.211 9.247) 14.286 1.777 ( 6.715 4.859 14.756) 16.925 1.875 ( 6.877 -5.180 11.644) 14.481 1.992 ( -0.334 -7.832 14.642) 16.609 2.147 ( 6.354 5.052 1.134) 8.197 2.331 ( 9.333 -1.458 -1.692) 9.596 2.585 ( 0.289 3.804 11.513) 12.129 2.733 ( 0.227 -5.128 7.772) 9.314 2.917 ( -4.235 0.127 0.410) 4.257 2.955 ( -4.110 2.261 -0.821) 4.762 3.066 ( -8.033 1.596 -8.033) 11.472 3.112 ( -5.366 -1.341 1.230) 5.666 3.216 ( -0.630 -0.937 -8.186) 8.264 3.319 ( -2.305 2.040 -6.183) 6.907 3.386 ( -1.773 -3.042 -3.296) 4.823 3.474 ( 3.812 -0.610 -1.901) 4.303 3.661 ( -1.373 3.229 -4.109) 5.403 3.809 ( 5.584 -3.133 5.867) 8.684 3.985 ( 5.104 1.147 16.915) 17.705 4.136 ( -8.839 0.858 0.752) 8.913 4.459 ( -6.013 8.455 -9.185) 13.857 4.608 ( 5.058 -1.591 1.159) 5.428 4.674 ( -4.574 -5.461 -10.719) 12.870 4.863 ( 0.433 -3.295 4.104) 5.280 5.095 ( -0.779 4.727 5.576) 7.352 5.148 ( -6.591 -1.158 0.898) 6.752 5.286 ( -2.034 2.622 1.271) 3.553 5.293 ( 0.699 2.719 1.532) 3.198 5.368 ( -2.662 -4.716 -2.921) 6.153 5.690 ( 5.314 -5.600 13.223) 15.312 5.913 ( 4.450 1.438 4.499) 6.489 5.968 ( 0.047 1.738 6.410) 6.642 6.150 ( -2.150 0.025 8.852) 9.110 6.333 ( 1.060 -0.426 6.904) 6.998 6.369 ( 9.390 1.098 2.613) 9.808 6.486 ( -0.768 0.358 4.309) 4.391 6.832 ( 11.140 -1.591 5.857) 12.686 6.980 ( 6.015 2.850 3.715) 7.622 7.118 ( 0.303 2.434 1.203) 2.732 7.163 ( 0.086 -2.139 2.468) 3.268 7.381 ( 3.966 -1.225 2.154) 4.676 7.417 ( 9.496 -3.406 5.205) 11.352 7.550 ( 7.374 0.124 -2.920) 7.932 7.769 ( -5.791 0.086 1.868) 6.086 7.802 ( -0.842 1.426 -5.325) 5.577 7.856 ( 2.041 2.281 -4.848) 5.734 8.071 ( 2.013 1.862 4.774) 5.505 8.209 ( 10.900 -2.082 -6.965) 13.102 8.441 ( 3.798 1.764 1.404) 4.417 8.572 ( 6.490 -4.249 -0.377) 7.766 8.641 ( 7.988 0.201 -6.611) 10.371 8.747 ( 7.765 0.214 -4.418) 8.936 9.388 ( -3.305 -1.550 3.519) 5.071 9.572 ( -1.931 1.118 10.444) 10.679 9.758 ( -2.250 2.830 -5.804) 6.838 10.115 ( -6.612 -2.320 0.903) 7.065 10.160 ( -0.813 -1.503 -5.829) 6.074 10.283 ( -0.136 2.695 -0.956) 2.863 10.630 ( -4.056 3.008 -5.823) 7.708 10.810 ( -5.458 1.783 -4.705) 7.423 10.914 ( -8.884 -5.674 -0.807) 10.572 11.003 ( 0.175 0.323 0.425) 0.562 11.214 ( -4.500 -3.935 0.242) 5.982 11.358 ( 0.900 -0.374 -6.278) 6.353 11.686 ( -13.223 1.620 2.996) 13.654 11.708 ( -8.075 2.090 -0.693) 8.369 11.968 ( 1.913 1.865 1.518) 3.073 11.988 ( -3.364 -0.491 -1.626) 3.769 12.424 ( -8.979 -1.118 1.461) 9.165 12.527 ( -10.232 0.833 5.111) 11.468 12.692 ( 5.178 -2.057 2.642) 6.166 12.891 ( 1.682 5.034 -7.761) 9.402 12.977 ( -1.203 -3.629 -10.059) 10.761 13.140 ( -11.037 1.294 14.603) 18.350 13.677 ( 1.109 2.854 2.355) 3.863 13.779 ( -8.148 2.088 2.812) 8.869 13.943 ( -16.581 -9.636 2.064) 19.288 14.372 ( -6.811 -1.352 8.360) 10.867 14.566 ( -9.374 5.421 -4.838) 11.860 14.737 ( 3.660 1.683 9.472) 10.293 15.068 ( -8.900 2.843 4.136) 10.218 15.354 ( -12.087 -8.027 -13.291) 19.677 15.572 ( -3.435 0.786 -10.628) 11.197 15.745 ( 1.836 -0.480 -7.683) 7.914 16.364 ( 15.016 5.788 0.545) 16.103 16.566 ( 12.865 1.882 -0.475) 13.011 16.770 ( 2.791 -3.506 -7.457) 8.700 16.888 ( -1.942 1.079 -12.550) 12.745 17.037 ( -5.642 -1.760 -10.923) 12.420 17.376 ( -7.149 -1.046 -11.121) 13.262 17.903 ( -2.226 -1.056 -0.167) 2.470 18.012 ( 2.465 1.379 -0.767) 2.927 18.283 ( -12.940 -1.493 3.241) 13.423 18.742 ( -11.591 2.403 -2.504) 12.099 19.093 ( 6.066 -1.014 12.383) 13.826 19.443 ( -26.571 0.201 8.878) 28.016 19.700 ( 18.310 -0.038 -7.328) 19.722 19.998 ( -23.997 0.167 -10.001) 25.998 20.844 ( 4.689 -0.264 8.113) 9.374 21.234 ( -1.477 0.025 1.302) 1.969 22.765 ( 11.168 1.616 7.559) 13.582 23.040 ( 8.996 -4.142 2.202) 10.146 23.267 ( 4.706 2.265 -3.160) 6.104 23.411 ( -1.383 0.012 -8.166) 8.282 25.009 ( 6.061 0.471 6.125) 8.630 25.032 ( 4.156 -0.224 6.210) 7.476 25.728 ( -6.919 -0.059 -10.611) 12.668 25.737 ( -7.152 0.013 -10.895) 13.033 ======================= Grid point 113 (46/72) ======================= q-point: ( 0.27 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -1.155 1.425 7.508) 7.729 1.932 ( 0.309 0.287 6.270) 6.284 2.060 ( 14.930 -0.787 6.276) 16.214 2.116 ( 11.932 -2.580 9.401) 15.407 2.268 ( 5.367 1.251 2.206) 5.936 2.485 ( 4.707 -1.029 -2.603) 5.476 2.571 ( -0.726 5.688 10.742) 12.177 2.684 ( -6.489 -2.908 4.514) 8.422 2.797 ( -7.948 -2.092 3.678) 9.004 2.874 ( -5.240 0.315 -9.234) 10.622 2.901 ( -6.265 -1.612 -12.032) 13.661 2.974 ( -5.620 1.415 -2.569) 6.339 3.245 ( -2.524 1.980 -6.789) 7.509 3.266 ( 3.449 1.957 0.986) 4.086 3.441 ( 3.739 -4.135 -7.277) 9.167 3.482 ( -1.261 -0.327 -10.344) 10.425 3.722 ( 7.492 -1.876 1.207) 7.817 3.885 ( -2.011 -1.597 -7.665) 8.084 4.075 ( 3.482 0.873 6.225) 7.185 4.083 ( 7.045 2.536 7.467) 10.574 4.312 ( -8.263 11.165 -8.120) 16.089 4.526 ( -9.903 -8.717 -10.315) 16.747 4.635 ( -2.310 1.610 -3.673) 4.628 4.840 ( -4.246 -4.268 -3.460) 6.944 4.997 ( -6.735 1.428 -1.049) 6.964 5.077 ( -2.705 -0.955 4.657) 5.469 5.225 ( -3.472 2.017 -2.675) 4.825 5.261 ( -2.648 -0.100 0.120) 2.653 5.344 ( 0.144 -0.271 9.181) 9.186 5.805 ( 6.496 -1.817 13.862) 15.417 5.981 ( -0.304 0.650 11.270) 11.293 6.079 ( 8.843 1.132 6.740) 11.176 6.117 ( 1.320 -1.445 6.666) 6.947 6.317 ( -0.639 0.634 9.935) 9.975 6.496 ( 3.915 1.177 7.970) 8.957 6.617 ( 12.718 -0.631 -0.781) 12.757 6.930 ( 0.880 1.758 1.354) 2.387 7.061 ( 3.007 -2.147 2.526) 4.476 7.196 ( 4.637 -0.826 4.170) 6.291 7.218 ( 7.468 -0.451 0.150) 7.483 7.470 ( 7.289 0.688 4.675) 8.687 7.542 ( -9.834 -0.222 -2.515) 10.153 7.695 ( 4.667 -0.229 0.097) 4.674 7.746 ( -0.084 2.654 -1.935) 3.285 7.792 ( 14.443 -1.076 7.373) 16.252 7.924 ( 3.431 1.553 -1.491) 4.051 8.073 ( -0.637 -0.280 9.516) 9.541 8.449 ( 0.757 -0.068 5.730) 5.781 8.472 ( 15.156 -1.429 0.773) 15.243 8.634 ( 1.399 -2.240 -1.495) 3.035 8.874 ( 12.903 5.772 -4.837) 14.940 8.943 ( 9.239 0.112 -5.579) 10.793 9.327 ( -2.204 -5.897 -1.522) 6.477 9.526 ( -3.001 1.021 10.029) 10.518 9.767 ( 3.505 -1.532 -8.666) 9.472 9.894 ( -14.135 -0.692 4.266) 14.781 10.167 ( 0.205 0.129 -6.574) 6.579 10.273 ( -1.167 4.044 -3.942) 5.767 10.554 ( -4.136 5.711 -5.213) 8.769 10.694 ( -6.676 -4.093 -4.765) 9.167 10.757 ( -4.221 -2.211 -0.600) 4.803 11.009 ( -0.184 -2.015 0.096) 2.026 11.132 ( -3.403 -0.583 -0.749) 3.532 11.366 ( -1.758 2.983 -3.658) 5.037 11.468 ( -7.353 -1.169 7.531) 10.590 11.539 ( -8.212 0.831 -0.405) 8.264 11.875 ( -7.572 1.694 -1.063) 7.832 11.968 ( -5.979 -3.398 0.134) 6.878 12.240 ( -7.733 3.740 1.921) 8.803 12.343 ( -7.715 -2.122 0.989) 8.062 12.761 ( -5.334 2.804 -7.320) 9.481 12.880 ( 2.149 -6.373 -4.722) 8.218 12.960 ( 1.117 3.610 -5.361) 6.559 13.008 ( -3.920 2.110 11.180) 12.034 13.588 ( -13.455 -4.593 4.852) 15.022 13.611 ( -6.360 -3.206 0.423) 7.135 13.780 ( 1.028 1.231 3.265) 3.637 14.230 ( -7.494 0.332 8.671) 11.465 14.369 ( -9.595 8.922 -5.093) 14.057 14.770 ( -0.366 -0.829 10.787) 10.825 14.926 ( -9.557 2.607 1.507) 10.020 15.064 ( -13.261 -9.832 2.322) 16.671 15.527 ( -0.717 3.649 -12.037) 12.599 15.770 ( 1.066 -3.084 -9.354) 9.907 16.670 ( -1.238 7.095 -3.984) 8.230 16.738 ( 20.680 3.110 -6.770) 21.981 16.820 ( 10.110 -3.464 -4.058) 11.432 16.937 ( -1.644 -2.147 -4.705) 5.427 17.012 ( 3.590 -1.090 -10.157) 10.828 17.320 ( 2.010 -1.359 -11.729) 11.977 17.851 ( -2.135 -0.515 -2.923) 3.656 17.979 ( -5.384 0.452 -4.217) 6.854 18.020 ( -14.052 0.043 0.188) 14.053 18.514 ( -11.235 0.207 -5.729) 12.613 18.927 ( -25.215 -0.136 6.550) 26.052 19.300 ( 14.300 0.266 13.938) 19.971 19.531 ( -24.536 0.080 -12.831) 27.689 20.020 ( 14.729 0.041 -7.483) 16.521 20.875 ( -1.211 -0.188 4.942) 5.092 21.113 ( -10.758 0.000 3.504) 11.314 22.995 ( 11.727 0.418 5.272) 12.864 23.189 ( 6.222 -1.132 0.413) 6.338 23.352 ( 3.270 1.567 -1.858) 4.074 23.386 ( -0.482 -0.856 -4.913) 5.010 25.082 ( 1.270 0.618 2.954) 3.274 25.100 ( 3.241 -0.479 1.571) 3.634 25.577 ( -9.015 -0.073 -9.678) 13.227 25.578 ( -8.334 -0.046 -9.974) 12.997 ======================= Grid point 114 (47/72) ======================= q-point: ( 0.36 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 1.412 -2.502 -0.182) 2.878 1.946 ( 1.860 4.130 -4.451) 6.350 2.236 ( -2.065 -0.093 4.582) 5.027 2.277 ( -0.945 0.842 3.347) 3.578 2.399 ( 11.550 0.054 -1.346) 11.628 2.456 ( -5.457 -0.811 2.682) 6.134 2.563 ( 1.713 -0.177 1.930) 2.586 2.593 ( -0.756 -2.146 3.253) 3.970 2.676 ( -3.338 1.971 -6.434) 7.511 2.745 ( -4.187 -4.440 -0.750) 6.149 2.826 ( -1.438 0.209 -8.007) 8.138 2.983 ( 2.878 1.271 3.647) 4.816 3.178 ( -3.290 1.583 -8.117) 8.900 3.343 ( 1.152 3.873 -7.164) 8.225 3.449 ( 2.711 -4.006 -3.112) 5.751 3.542 ( 3.583 0.226 -7.060) 7.921 3.812 ( -0.599 0.706 -7.572) 7.628 3.927 ( 10.207 -1.816 -1.677) 10.502 4.038 ( -7.298 2.350 -9.621) 12.302 4.170 ( -1.681 1.389 -6.653) 7.001 4.257 ( -4.355 -2.969 -5.906) 7.916 4.371 ( 1.267 -1.609 -4.195) 4.668 4.567 ( -2.915 4.990 -3.338) 6.674 4.749 ( -3.932 0.553 -4.750) 6.191 4.882 ( -4.190 -2.879 2.768) 5.788 4.950 ( -8.687 -1.420 -3.493) 9.470 5.157 ( -4.000 1.615 -0.683) 4.367 5.190 ( -5.198 -1.117 -3.237) 6.224 5.432 ( 8.311 0.445 20.917) 22.512 5.908 ( -3.548 -0.425 12.626) 13.122 5.945 ( 4.052 0.038 11.844) 12.517 6.129 ( 4.119 0.271 7.508) 8.568 6.176 ( -2.414 0.017 3.910) 4.595 6.429 ( 10.073 0.438 16.415) 19.264 6.638 ( 9.658 1.224 12.581) 15.908 6.805 ( 5.766 -1.294 2.654) 6.478 6.952 ( 2.487 2.560 -1.946) 4.065 7.099 ( 0.242 -2.433 0.572) 2.511 7.255 ( -2.224 1.071 1.992) 3.172 7.346 ( 2.555 -2.052 1.504) 3.605 7.397 ( 4.559 -4.390 -1.445) 6.492 7.633 ( -2.184 0.512 -2.719) 3.525 7.656 ( 1.183 0.885 14.702) 14.776 7.775 ( 6.017 7.883 -2.182) 10.154 7.910 ( -1.794 -3.245 9.289) 10.001 8.007 ( 2.321 -0.760 -1.402) 2.816 8.253 ( 18.438 0.208 5.679) 19.294 8.491 ( 2.030 -0.916 7.666) 7.983 8.594 ( -4.572 1.378 -3.484) 5.911 8.737 ( 8.363 -2.717 5.650) 10.452 8.995 ( 1.740 1.008 -4.556) 4.980 9.161 ( 9.758 8.326 -2.310) 13.034 9.331 ( 1.027 -7.170 -1.193) 7.341 9.467 ( 1.226 0.044 6.617) 6.730 9.661 ( -7.132 -1.050 4.642) 8.574 9.891 ( 7.658 -5.049 -8.626) 12.592 10.114 ( -7.046 1.753 -7.019) 10.099 10.243 ( -1.941 3.398 -4.059) 5.638 10.442 ( -5.132 4.585 -5.282) 8.675 10.616 ( -2.066 -2.861 -6.630) 7.511 10.769 ( 4.664 -0.095 0.523) 4.694 10.988 ( -1.804 -3.323 4.243) 5.684 11.094 ( -0.547 1.163 -5.373) 5.525 11.274 ( -4.731 3.422 3.032) 6.579 11.349 ( -7.130 3.643 2.250) 8.317 11.472 ( -0.561 -5.988 -1.759) 6.266 11.709 ( -9.021 2.031 -2.359) 9.543 11.787 ( -7.446 -4.059 1.281) 8.576 12.039 ( -13.075 5.857 -2.423) 14.531 12.274 ( -3.875 -7.899 -2.569) 9.166 12.600 ( -6.095 3.998 -6.231) 9.590 12.829 ( -7.993 1.769 -15.254) 17.312 12.955 ( -0.528 -0.516 11.011) 11.036 13.073 ( 7.380 -1.942 2.450) 8.015 13.350 ( -8.660 -0.528 4.933) 9.981 13.546 ( -3.584 -0.342 -3.774) 5.216 13.804 ( 2.259 2.729 4.215) 5.506 14.097 ( -6.168 -0.175 7.920) 10.040 14.233 ( -4.002 5.287 -1.161) 6.732 14.609 ( -17.229 -6.682 1.318) 18.527 14.761 ( -0.355 -1.725 11.635) 11.767 14.942 ( -3.848 -0.670 11.423) 12.072 15.566 ( 4.622 4.559 -10.614) 12.442 15.792 ( 0.980 -3.873 -9.657) 10.451 16.681 ( 1.423 8.009 -1.945) 8.364 16.862 ( 1.897 -3.725 -0.661) 4.232 16.976 ( 0.840 0.395 -4.999) 5.085 17.033 ( 3.515 -2.838 -4.003) 6.036 17.201 ( 16.827 -1.394 -11.315) 20.326 17.423 ( 7.624 2.465 -11.354) 13.897 17.791 ( -9.369 0.626 -3.793) 10.127 17.814 ( -2.736 0.730 -5.806) 6.460 17.854 ( -2.650 -2.807 -8.900) 9.701 18.320 ( -8.661 2.271 -7.898) 11.939 18.497 ( -18.034 -1.822 2.772) 18.336 19.046 ( -25.642 0.105 -14.777) 29.595 19.636 ( 19.824 0.111 13.092) 23.757 20.276 ( 11.953 0.034 -6.670) 13.688 20.806 ( -6.128 -0.150 1.334) 6.273 20.836 ( -16.825 0.055 5.568) 17.723 23.193 ( 8.382 -0.477 4.098) 9.343 23.284 ( 3.795 1.116 0.573) 3.996 23.375 ( 0.388 -0.848 -1.445) 1.720 23.404 ( 0.743 0.259 -0.609) 0.994 25.096 ( 0.822 0.320 -0.621) 1.079 25.148 ( 2.045 -0.352 -1.971) 2.862 25.399 ( -8.977 -0.155 -8.456) 12.333 25.420 ( -7.723 0.154 -8.957) 11.828 ======================= Grid point 115 (48/72) ======================= q-point: ( 0.45 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 7.588 -0.501 -7.152) 10.440 1.984 ( -1.813 -0.078 -6.738) 6.978 2.078 ( -5.477 4.483 -4.673) 8.481 2.167 ( -8.180 -3.792 -0.706) 9.044 2.383 ( 1.965 -0.405 -0.433) 2.053 2.484 ( -7.030 -1.388 -8.881) 11.412 2.627 ( 6.443 -0.376 -0.911) 6.518 2.651 ( 4.456 1.248 2.974) 5.500 2.687 ( 1.309 -1.664 2.599) 3.352 2.763 ( -0.687 0.967 -2.948) 3.178 2.826 ( 6.186 -0.116 2.474) 6.663 2.975 ( -5.485 0.230 7.712) 9.466 3.175 ( 4.462 -1.146 -9.435) 10.500 3.293 ( -5.630 -2.289 -8.007) 10.052 3.533 ( 4.413 7.437 -3.689) 9.402 3.586 ( -0.046 3.556 -6.153) 7.107 3.844 ( 3.922 -3.045 -6.127) 7.886 3.926 ( -3.554 -4.036 -8.031) 9.666 4.048 ( -1.142 1.844 -12.966) 13.146 4.090 ( -5.871 0.541 -10.917) 12.407 4.203 ( 7.651 -5.447 -6.721) 11.549 4.359 ( -6.061 0.180 -4.792) 7.729 4.579 ( 2.546 5.968 -8.545) 10.729 4.665 ( -5.795 5.215 -6.687) 10.271 4.851 ( 2.211 -4.519 3.710) 6.250 4.882 ( 1.402 -4.834 4.138) 6.515 5.074 ( -4.000 1.025 0.950) 4.237 5.078 ( -5.110 1.096 -0.098) 5.227 5.610 ( 9.293 -0.063 18.560) 20.757 5.778 ( -8.001 -0.165 15.175) 17.156 6.027 ( 3.555 0.296 7.537) 8.339 6.101 ( -4.140 0.375 5.795) 7.132 6.289 ( 11.011 -0.387 10.950) 15.534 6.482 ( -6.172 -0.315 15.173) 16.383 6.801 ( 5.633 1.379 11.991) 13.320 6.852 ( -0.199 0.600 6.772) 6.801 7.040 ( 6.339 0.142 -1.445) 6.503 7.135 ( 2.551 -1.175 1.135) 3.029 7.191 ( 0.169 0.387 -1.309) 1.376 7.340 ( -6.779 -0.576 0.286) 6.809 7.513 ( 5.523 -3.368 -0.398) 6.481 7.606 ( -2.748 0.528 8.814) 9.248 7.621 ( 3.206 0.996 1.993) 3.904 7.770 ( -8.584 -0.414 14.295) 16.679 8.009 ( 12.125 4.720 1.542) 13.103 8.122 ( 4.935 -6.956 1.794) 8.715 8.427 ( -4.431 5.399 0.256) 6.989 8.486 ( -5.856 -1.009 1.479) 6.124 8.575 ( 11.926 0.978 0.509) 11.977 8.752 ( -5.611 -0.295 3.472) 6.605 9.052 ( 5.437 -0.286 -0.361) 5.456 9.187 ( -7.094 -0.860 2.752) 7.657 9.380 ( 10.088 -2.413 -1.739) 10.517 9.566 ( -6.132 -2.699 1.454) 6.855 9.693 ( 14.637 7.221 1.015) 16.353 9.928 ( -10.062 10.525 -3.815) 15.052 10.024 ( 5.295 -9.024 -5.510) 11.825 10.144 ( -7.364 -10.086 -2.615) 12.760 10.452 ( 5.484 6.412 -9.277) 12.540 10.565 ( -4.350 2.746 -8.432) 9.877 10.868 ( 4.273 -0.003 6.610) 7.871 10.943 ( -3.226 -4.120 9.275) 10.649 11.125 ( 4.540 -0.432 -4.637) 6.503 11.214 ( -3.256 1.739 2.890) 4.688 11.257 ( 0.212 5.950 0.718) 5.997 11.370 ( -9.039 -6.075 -2.543) 11.184 11.606 ( 0.514 1.487 -8.605) 8.747 11.714 ( -7.266 5.326 -8.979) 12.719 11.887 ( 4.753 -3.711 1.814) 6.297 12.095 ( -12.644 -9.161 -1.932) 15.732 12.581 ( 2.599 3.959 -10.623) 11.631 12.673 ( -6.918 2.287 -13.368) 15.225 12.990 ( 4.602 -0.204 11.659) 12.536 13.103 ( -5.282 -0.261 9.775) 11.114 13.320 ( 5.649 2.606 -4.432) 7.639 13.447 ( -6.336 1.869 -5.087) 8.338 13.879 ( 5.084 1.347 5.624) 7.701 13.985 ( -5.618 -0.093 6.872) 8.876 14.218 ( 2.437 -1.287 1.895) 3.345 14.337 ( -10.173 -6.319 3.209) 12.398 14.787 ( 2.909 -0.624 12.574) 12.921 14.861 ( -4.356 -0.168 12.453) 13.194 15.682 ( 6.473 3.750 -9.312) 11.944 15.780 ( -2.945 -0.117 -9.253) 9.711 16.733 ( 4.909 -0.391 1.603) 5.179 16.857 ( -5.931 -3.225 0.599) 6.778 16.991 ( 4.707 5.364 -0.810) 7.182 17.066 ( -1.576 0.170 -2.517) 2.975 17.371 ( 5.989 -3.677 -9.150) 11.537 17.555 ( -11.051 -3.219 -7.854) 13.935 17.615 ( 8.897 3.007 -11.635) 14.952 17.778 ( -5.516 3.187 -11.137) 12.830 18.044 ( 20.239 -1.329 -11.605) 23.368 18.205 ( -1.738 2.060 -5.827) 6.420 18.257 ( -6.471 -2.675 -5.464) 8.882 18.546 ( -25.686 0.243 -14.763) 29.627 20.043 ( 21.769 -0.020 10.526) 24.181 20.460 ( -20.895 -0.049 7.855) 22.323 20.489 ( 10.226 0.031 -4.765) 11.282 20.671 ( -8.437 0.025 -1.995) 8.669 23.314 ( 4.205 -0.270 1.675) 4.535 23.343 ( 2.054 0.190 0.915) 2.257 23.375 ( -0.376 0.374 0.960) 1.097 23.395 ( -1.412 -0.254 2.649) 3.012 25.134 ( 3.373 -0.180 -3.825) 5.103 25.190 ( 1.707 -0.480 -4.769) 5.088 25.249 ( -5.320 0.282 -7.044) 8.831 25.290 ( -5.579 0.334 -7.660) 9.482 ======================= Grid point 132 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.000 0.000 10.378) 10.378 1.751 ( 0.000 0.000 4.303) 4.303 1.841 ( 0.000 0.000 0.281) 0.281 2.029 ( 0.000 0.000 -6.793) 6.793 2.308 ( 0.000 0.000 14.932) 14.932 2.420 ( 0.000 0.000 18.640) 18.640 2.658 ( 0.000 0.000 6.705) 6.705 2.765 ( 0.000 0.000 -11.206) 11.206 3.006 ( 0.000 0.000 4.382) 4.382 3.010 ( 0.000 0.000 -2.929) 2.929 3.077 ( 0.000 0.000 5.194) 5.194 3.203 ( 0.000 0.000 1.504) 1.504 3.329 ( 0.000 0.000 -4.943) 4.943 3.350 ( 0.000 0.000 -2.326) 2.326 3.371 ( 0.000 0.000 -9.167) 9.167 3.382 ( 0.000 0.000 -7.490) 7.490 3.682 ( 0.000 0.000 9.306) 9.306 4.118 ( 0.000 0.000 19.326) 19.326 4.167 ( 0.000 0.000 4.969) 4.969 4.260 ( 0.000 0.000 -14.734) 14.734 4.504 ( 0.000 0.000 -3.182) 3.182 4.610 ( 0.000 0.000 -0.688) 0.688 4.735 ( 0.000 0.000 16.773) 16.773 4.988 ( 0.000 0.000 9.146) 9.146 5.063 ( 0.000 0.000 3.994) 3.994 5.187 ( 0.000 0.000 0.468) 0.468 5.298 ( 0.000 0.000 2.504) 2.504 5.315 ( 0.000 0.000 2.016) 2.016 5.580 ( 0.000 0.000 2.560) 2.560 5.835 ( 0.000 0.000 4.707) 4.707 5.893 ( 0.000 0.000 -1.936) 1.936 5.901 ( 0.000 0.000 0.403) 0.403 6.329 ( 0.000 0.000 3.127) 3.127 6.398 ( 0.000 0.000 8.546) 8.546 6.464 ( 0.000 0.000 4.220) 4.220 6.500 ( 0.000 0.000 -2.871) 2.871 6.770 ( 0.000 0.000 3.340) 3.340 6.776 ( 0.000 0.000 17.237) 17.237 7.203 ( 0.000 0.000 -0.887) 0.887 7.247 ( 0.000 0.000 -8.652) 8.652 7.319 ( 0.000 0.000 2.764) 2.764 7.388 ( 0.000 0.000 -4.299) 4.299 7.437 ( 0.000 0.000 -6.641) 6.641 7.535 ( 0.000 0.000 -2.018) 2.018 7.554 ( 0.000 0.000 -4.369) 4.369 7.674 ( 0.000 0.000 -8.097) 8.097 7.761 ( 0.000 0.000 -12.834) 12.834 7.788 ( 0.000 0.000 -11.166) 11.166 8.257 ( 0.000 0.000 14.846) 14.846 8.454 ( 0.000 0.000 -1.156) 1.156 8.470 ( 0.000 0.000 -0.523) 0.523 8.704 ( 0.000 0.000 -4.998) 4.998 9.704 ( 0.000 0.000 5.329) 5.329 9.748 ( 0.000 0.000 12.266) 12.266 9.760 ( 0.000 0.000 3.523) 3.523 10.155 ( 0.000 0.000 -8.595) 8.595 10.214 ( 0.000 0.000 3.201) 3.201 10.422 ( 0.000 0.000 -6.953) 6.953 10.434 ( 0.000 0.000 6.129) 6.129 10.775 ( 0.000 0.000 -9.915) 9.915 11.066 ( 0.000 0.000 2.084) 2.084 11.149 ( 0.000 0.000 -3.049) 3.049 11.218 ( 0.000 0.000 1.992) 1.992 11.365 ( 0.000 0.000 -6.440) 6.440 11.660 ( 0.000 0.000 0.328) 0.328 11.772 ( 0.000 0.000 -5.372) 5.372 12.026 ( 0.000 0.000 -4.309) 4.309 12.039 ( 0.000 0.000 -3.906) 3.906 12.622 ( 0.000 0.000 -2.141) 2.141 12.629 ( 0.000 0.000 -5.728) 5.728 12.716 ( 0.000 0.000 1.160) 1.160 12.754 ( 0.000 0.000 -3.860) 3.860 13.060 ( 0.000 0.000 22.063) 22.063 13.698 ( 0.000 0.000 4.012) 4.012 13.765 ( 0.000 0.000 0.131) 0.131 13.967 ( 0.000 0.000 -20.663) 20.663 14.088 ( 0.000 0.000 17.411) 17.411 14.720 ( 0.000 0.000 1.418) 1.418 14.754 ( 0.000 0.000 6.962) 6.962 14.886 ( 0.000 0.000 3.777) 3.777 15.293 ( 0.000 0.000 -14.337) 14.337 15.439 ( 0.000 0.000 -8.145) 8.145 15.503 ( 0.000 0.000 -2.196) 2.196 15.656 ( 0.000 0.000 -14.811) 14.811 15.963 ( 0.000 0.000 18.902) 18.902 16.125 ( 0.000 0.000 12.723) 12.723 16.740 ( 0.000 0.000 -15.411) 15.411 16.818 ( 0.000 0.000 -22.565) 22.565 17.120 ( 0.000 0.000 10.502) 10.502 17.500 ( 0.000 0.000 -7.715) 7.715 17.644 ( 0.000 0.000 7.622) 7.622 17.986 ( 0.000 0.000 -8.435) 8.435 18.751 ( 0.000 0.000 6.302) 6.302 18.950 ( 0.000 0.000 -3.535) 3.535 19.110 ( 0.000 0.000 4.494) 4.494 19.192 ( 0.000 0.000 1.967) 1.967 20.528 ( 0.000 0.000 7.606) 7.606 20.595 ( 0.000 0.000 8.322) 8.322 20.743 ( 0.000 0.000 -4.611) 4.611 20.849 ( 0.000 0.000 -4.892) 4.892 22.733 ( 0.000 0.000 10.968) 10.968 23.015 ( 0.000 0.000 1.091) 1.091 23.051 ( 0.000 0.000 -1.018) 1.018 23.141 ( 0.000 0.000 -10.346) 10.346 25.044 ( 0.000 0.000 14.765) 14.765 25.165 ( 0.000 0.000 11.557) 11.557 25.624 ( 0.000 0.000 -13.992) 13.992 25.635 ( 0.000 0.000 -12.203) 12.203 ======================= Grid point 133 (50/72) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 6.360 0.000 9.689) 11.591 1.822 ( 6.732 0.000 5.122) 8.459 1.914 ( 7.355 0.000 0.959) 7.417 2.070 ( 2.694 0.000 -4.852) 5.550 2.243 ( -3.589 0.000 12.141) 12.660 2.435 ( 1.114 0.000 17.647) 17.683 2.723 ( 4.592 0.000 7.434) 8.738 2.726 ( -4.001 0.000 -11.413) 12.094 2.928 ( -4.999 0.000 1.688) 5.276 2.968 ( -4.124 0.000 -2.506) 4.826 3.149 ( 4.102 0.000 1.697) 4.440 3.181 ( -8.772 0.000 -2.087) 9.017 3.219 ( -1.283 0.000 -2.217) 2.561 3.320 ( -3.809 0.000 -2.988) 4.841 3.354 ( -0.904 0.000 -6.561) 6.623 3.407 ( 0.079 0.000 -4.195) 4.196 3.657 ( -1.310 0.000 11.472) 11.547 4.081 ( -4.784 0.000 10.976) 11.973 4.127 ( -4.152 0.000 0.025) 4.152 4.282 ( -0.679 0.000 -12.198) 12.217 4.456 ( -3.915 0.000 2.431) 4.608 4.473 ( -5.712 0.000 4.511) 7.278 4.807 ( 1.031 0.000 11.006) 11.055 5.002 ( 1.985 0.000 5.557) 5.901 5.055 ( -1.106 0.000 2.861) 3.067 5.190 ( -0.758 0.000 -3.479) 3.561 5.333 ( 3.569 0.000 2.252) 4.220 5.345 ( 1.425 0.000 1.347) 1.961 5.473 ( -7.914 0.000 5.635) 9.715 5.854 ( -0.979 0.000 -3.300) 3.442 5.907 ( 5.784 0.000 4.597) 7.388 5.925 ( 1.306 0.000 3.353) 3.598 6.324 ( -0.641 0.000 4.881) 4.923 6.381 ( 0.135 0.000 6.757) 6.758 6.465 ( -0.201 0.000 3.671) 3.676 6.504 ( 0.078 0.000 -1.931) 1.933 6.825 ( 5.073 0.000 12.101) 13.122 6.881 ( 8.063 0.000 3.340) 8.728 7.150 ( -5.561 0.000 -4.432) 7.111 7.217 ( 0.407 0.000 -2.253) 2.289 7.366 ( -1.057 0.000 -4.353) 4.480 7.386 ( 6.956 0.000 7.097) 9.938 7.446 ( 0.042 0.000 0.773) 0.774 7.589 ( 10.023 0.000 -10.108) 14.235 7.632 ( -0.836 0.000 -8.924) 8.963 7.677 ( 6.990 0.000 -1.153) 7.084 7.863 ( 7.743 0.000 -7.710) 10.927 7.973 ( 15.937 0.000 -13.580) 20.938 8.248 ( -0.195 0.000 12.590) 12.592 8.450 ( -0.584 0.000 -2.059) 2.140 8.514 ( 4.005 0.000 -0.456) 4.031 8.706 ( 0.363 0.000 -3.904) 3.921 9.597 ( -6.068 0.000 6.278) 8.731 9.678 ( -7.714 0.000 2.195) 8.020 9.829 ( 3.527 0.000 9.619) 10.245 10.143 ( -1.690 0.000 -6.693) 6.903 10.188 ( -2.466 0.000 1.495) 2.884 10.315 ( -4.903 0.000 -0.166) 4.906 10.532 ( 3.390 0.000 -1.354) 3.651 10.754 ( -2.119 0.000 -8.431) 8.693 11.042 ( -2.116 0.000 2.104) 2.984 11.095 ( -5.133 0.000 -1.554) 5.364 11.246 ( 2.264 0.000 -0.560) 2.332 11.324 ( -4.320 0.000 -5.903) 7.315 11.685 ( 2.168 0.000 -0.020) 2.168 11.760 ( -1.268 0.000 -2.679) 2.964 12.003 ( -3.027 0.000 -2.049) 3.655 12.010 ( -1.873 0.000 -3.522) 3.989 12.556 ( -4.239 0.000 -0.153) 4.242 12.621 ( -0.826 0.000 -5.785) 5.844 12.710 ( -1.505 0.000 1.553) 2.163 12.800 ( 1.910 0.000 -3.796) 4.250 13.068 ( 0.426 0.000 20.293) 20.297 13.616 ( -12.356 0.000 5.439) 13.500 13.690 ( -0.650 0.000 2.191) 2.285 13.990 ( -0.357 0.000 -20.688) 20.691 14.011 ( -6.613 0.000 14.303) 15.758 14.634 ( -12.788 0.000 -9.167) 15.734 14.713 ( -4.304 0.000 9.270) 10.221 14.811 ( -0.843 0.000 10.096) 10.131 15.323 ( 1.244 0.000 -4.462) 4.632 15.352 ( -4.638 0.000 -6.395) 7.899 15.433 ( -15.316 0.000 -9.790) 18.178 15.584 ( 2.917 0.000 -6.284) 6.928 16.025 ( 7.785 0.000 12.817) 14.996 16.376 ( 17.819 0.000 0.535) 17.827 16.744 ( -1.077 0.000 -4.566) 4.691 16.757 ( -5.892 0.000 -18.591) 19.502 16.950 ( -8.645 0.000 4.630) 9.807 17.372 ( -10.311 0.000 -9.307) 13.890 17.834 ( 11.887 0.000 3.854) 12.496 17.991 ( -0.855 0.000 -3.107) 3.223 18.656 ( -9.641 0.000 5.936) 11.321 18.829 ( -9.302 0.000 -2.549) 9.645 19.208 ( 2.221 0.000 4.028) 4.600 19.278 ( 13.276 0.000 -1.613) 13.374 20.118 ( -25.217 0.000 7.546) 26.322 20.339 ( -25.309 0.000 -5.174) 25.833 20.869 ( 11.484 0.000 8.249) 14.140 21.110 ( 10.945 0.000 -3.916) 11.625 22.772 ( 4.284 0.000 10.412) 11.259 23.053 ( 1.388 0.000 -0.096) 1.392 23.072 ( 5.281 0.000 -0.202) 5.285 23.186 ( 3.172 0.000 -10.607) 11.071 25.071 ( 2.442 0.000 12.383) 12.621 25.176 ( 0.873 0.000 10.329) 10.366 25.594 ( -3.023 0.000 -13.273) 13.613 25.608 ( -2.813 0.000 -11.503) 11.841 ======================= Grid point 134 (51/72) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 10.037 0.000 7.288) 12.404 1.935 ( -0.209 0.000 11.064) 11.066 2.079 ( 4.211 0.000 2.488) 4.891 2.109 ( 12.272 0.000 2.285) 12.483 2.295 ( 7.270 0.000 -1.420) 7.407 2.412 ( -5.719 0.000 15.064) 16.113 2.623 ( -6.007 0.000 -13.414) 14.697 2.738 ( -4.584 0.000 7.144) 8.488 2.863 ( -5.999 0.000 -2.694) 6.576 2.866 ( -1.673 0.000 -5.386) 5.640 2.972 ( -9.923 0.000 -0.674) 9.946 3.160 ( -4.213 0.000 -5.133) 6.640 3.225 ( 0.157 0.000 2.469) 2.474 3.259 ( -0.821 0.000 5.665) 5.724 3.324 ( -1.732 0.000 -7.596) 7.791 3.396 ( -0.486 0.000 -3.799) 3.830 3.673 ( 2.593 0.000 11.800) 12.081 3.940 ( -7.690 0.000 -2.979) 8.247 3.978 ( -10.497 0.000 -6.732) 12.470 4.237 ( -1.682 0.000 -2.027) 2.635 4.389 ( -2.804 0.000 9.586) 9.988 4.447 ( 0.067 0.000 -2.273) 2.274 4.737 ( -8.101 0.000 3.001) 8.639 4.983 ( -6.927 0.000 -2.016) 7.215 5.041 ( 1.522 0.000 4.247) 4.511 5.132 ( -5.248 0.000 -6.265) 8.173 5.313 ( -4.565 0.000 -1.850) 4.926 5.320 ( -4.283 0.000 0.195) 4.287 5.478 ( 7.902 0.000 15.573) 17.463 5.905 ( 6.118 0.000 -2.320) 6.543 5.978 ( 5.110 0.000 6.246) 8.070 6.038 ( 7.331 0.000 4.136) 8.417 6.304 ( -1.674 0.000 7.390) 7.577 6.437 ( 5.702 0.000 3.794) 6.849 6.452 ( -0.517 0.000 3.674) 3.710 6.506 ( 0.705 0.000 -0.835) 1.093 6.970 ( 9.834 0.000 3.214) 10.346 6.980 ( 1.987 0.000 3.722) 4.219 7.092 ( -0.021 0.000 -0.299) 0.300 7.211 ( 0.089 0.000 -3.559) 3.561 7.348 ( 0.495 0.000 -2.524) 2.572 7.555 ( 7.399 0.000 5.146) 9.012 7.594 ( 10.665 0.000 1.293) 10.743 7.603 ( -0.469 0.000 -9.527) 9.538 7.785 ( 8.247 0.000 4.161) 9.237 7.822 ( 7.349 0.000 3.435) 8.112 8.050 ( 11.956 0.000 -3.995) 12.606 8.295 ( 6.290 0.000 7.659) 9.911 8.325 ( 18.644 0.000 -13.949) 23.284 8.447 ( 2.592 0.000 -3.401) 4.276 8.600 ( 4.302 0.000 -0.843) 4.383 8.725 ( 1.693 0.000 -1.853) 2.510 9.503 ( -9.253 0.000 0.053) 9.253 9.504 ( -3.372 0.000 1.199) 3.579 9.855 ( -0.944 0.000 8.963) 9.013 10.076 ( -5.228 0.000 -2.951) 6.003 10.138 ( -2.137 0.000 -1.954) 2.895 10.240 ( -3.280 0.000 -0.494) 3.317 10.520 ( -5.105 0.000 -2.211) 5.563 10.697 ( -3.778 0.000 -6.845) 7.819 10.964 ( -7.988 0.000 -0.587) 8.010 11.004 ( -1.507 0.000 0.584) 1.616 11.206 ( -7.307 0.000 -3.613) 8.151 11.289 ( 1.890 0.000 -2.708) 3.302 11.702 ( -1.569 0.000 2.079) 2.605 11.723 ( -2.624 0.000 3.634) 4.483 11.945 ( -4.913 0.000 -1.886) 5.262 11.970 ( 0.523 0.000 -0.348) 0.628 12.470 ( -5.259 0.000 0.886) 5.333 12.577 ( -7.533 0.000 0.922) 7.589 12.621 ( -5.251 0.000 -3.830) 6.500 12.805 ( -1.511 0.000 -5.844) 6.037 13.051 ( -2.017 0.000 17.342) 17.459 13.389 ( -9.054 0.000 12.222) 15.210 13.672 ( -1.674 0.000 -1.452) 2.216 13.857 ( -9.801 0.000 0.842) 9.837 13.933 ( -4.190 0.000 -9.129) 10.045 14.334 ( -14.547 0.000 -8.281) 16.739 14.594 ( -7.682 0.000 11.783) 14.066 14.851 ( 3.133 0.000 4.726) 5.670 15.141 ( -13.324 0.000 -1.625) 13.423 15.273 ( -3.613 0.000 -8.362) 9.109 15.334 ( -1.245 0.000 -1.020) 1.610 15.612 ( 1.218 0.000 -7.515) 7.613 16.259 ( 15.085 0.000 2.547) 15.298 16.594 ( -4.960 0.000 -12.465) 13.416 16.705 ( 10.181 0.000 -3.118) 10.647 16.715 ( 1.457 0.000 7.808) 7.943 16.899 ( 0.618 0.000 -5.143) 5.180 17.198 ( -6.159 0.000 -9.594) 11.401 17.935 ( -4.495 0.000 0.994) 4.604 17.965 ( 1.145 0.000 -0.173) 1.158 18.397 ( -16.488 0.000 4.805) 17.174 18.616 ( -12.551 0.000 -5.421) 13.671 19.305 ( 8.036 0.000 7.756) 11.168 19.494 ( -5.914 0.000 -2.989) 6.626 19.671 ( -6.371 0.000 3.675) 7.355 19.838 ( -25.926 0.000 -6.102) 26.635 21.006 ( 2.710 0.000 7.646) 8.112 21.221 ( 0.553 0.000 -2.493) 2.553 22.900 ( 8.689 0.000 7.973) 11.792 23.114 ( 4.526 0.000 0.603) 4.566 23.190 ( 6.317 0.000 -2.021) 6.633 23.238 ( 2.232 0.000 -8.967) 9.240 25.118 ( 1.875 0.000 7.321) 7.557 25.184 ( -0.462 0.000 7.437) 7.452 25.510 ( -5.603 0.000 -11.421) 12.721 25.527 ( -5.508 0.000 -9.862) 11.296 ======================= Grid point 135 (52/72) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -5.695 0.000 7.832) 9.684 2.091 ( 2.107 0.000 3.965) 4.490 2.205 ( -8.301 0.000 6.546) 10.571 2.249 ( 9.630 0.000 4.561) 10.655 2.350 ( 5.663 0.000 -0.726) 5.709 2.436 ( 6.473 0.000 -2.431) 6.914 2.486 ( -3.161 0.000 -7.932) 8.539 2.594 ( -10.298 0.000 -4.701) 11.320 2.757 ( -8.726 0.000 -3.097) 9.260 2.803 ( 0.816 0.000 -3.588) 3.680 2.836 ( -4.520 0.000 2.152) 5.006 3.086 ( -3.226 0.000 5.768) 6.609 3.190 ( -5.389 0.000 -7.432) 9.180 3.214 ( -1.358 0.000 5.708) 5.867 3.366 ( 5.678 0.000 1.779) 5.950 3.398 ( 0.269 0.000 -5.265) 5.272 3.684 ( -2.292 0.000 -3.866) 4.494 3.786 ( -8.124 0.000 -8.276) 11.597 3.885 ( 2.280 0.000 -2.229) 3.188 4.216 ( -1.218 0.000 -5.427) 5.562 4.351 ( -0.981 0.000 8.030) 8.090 4.429 ( -1.915 0.000 1.777) 2.613 4.518 ( -13.476 0.000 -1.892) 13.608 4.821 ( -8.574 0.000 -3.170) 9.141 5.008 ( -6.694 0.000 -5.488) 8.656 5.054 ( -0.155 0.000 2.429) 2.434 5.204 ( -6.577 0.000 -0.129) 6.578 5.240 ( -3.723 0.000 -1.292) 3.941 5.648 ( 8.820 0.000 17.265) 19.388 6.040 ( 6.746 0.000 6.246) 9.194 6.120 ( 7.337 0.000 -1.018) 7.407 6.136 ( 1.329 0.000 4.988) 5.162 6.259 ( -1.848 0.000 7.669) 7.889 6.492 ( 6.200 0.000 8.267) 10.334 6.563 ( 7.673 0.000 -3.455) 8.415 6.609 ( 10.102 0.000 2.037) 10.306 6.989 ( -0.195 0.000 6.273) 6.276 7.126 ( 3.172 0.000 0.416) 3.199 7.208 ( 13.504 0.000 -3.082) 13.851 7.243 ( 3.247 0.000 -0.804) 3.345 7.390 ( 2.924 0.000 -3.287) 4.399 7.548 ( -5.441 0.000 3.872) 6.679 7.589 ( -1.724 0.000 -8.043) 8.226 7.752 ( 5.623 0.000 -1.650) 5.860 7.893 ( -0.150 0.000 4.102) 4.105 8.016 ( 14.622 0.000 10.672) 18.102 8.241 ( 5.483 0.000 2.300) 5.946 8.504 ( 11.843 0.000 5.613) 13.105 8.520 ( 8.200 0.000 0.529) 8.217 8.687 ( 7.116 0.000 0.565) 7.139 8.746 ( 17.544 0.000 -6.571) 18.735 8.782 ( 6.432 0.000 -4.246) 7.707 9.363 ( -4.213 0.000 -2.660) 4.982 9.469 ( -0.092 0.000 -6.341) 6.342 9.805 ( -3.354 0.000 6.715) 7.506 9.941 ( -8.883 0.000 1.050) 8.945 10.109 ( -1.384 0.000 -3.624) 3.879 10.180 ( -2.758 0.000 1.579) 3.178 10.366 ( -8.985 0.000 -4.493) 10.046 10.606 ( -5.446 0.000 -7.947) 9.634 10.807 ( -7.500 0.000 0.173) 7.502 10.964 ( -3.751 0.000 -6.547) 7.545 11.091 ( -2.838 0.000 2.302) 3.655 11.313 ( 0.644 0.000 -3.955) 4.007 11.626 ( -5.708 0.000 8.243) 10.026 11.651 ( -5.019 0.000 8.886) 10.205 11.825 ( -7.295 0.000 -0.685) 7.327 11.974 ( -3.023 0.000 -4.476) 5.401 12.310 ( -15.730 0.000 8.674) 17.963 12.353 ( -5.781 0.000 0.645) 5.817 12.539 ( -6.013 0.000 -10.592) 12.180 12.707 ( -8.767 0.000 -10.198) 13.449 13.050 ( 3.000 0.000 11.317) 11.708 13.277 ( -3.598 0.000 12.682) 13.182 13.599 ( -5.940 0.000 -3.974) 7.147 13.642 ( -11.022 0.000 -7.359) 13.253 13.869 ( -2.182 0.000 5.409) 5.832 14.152 ( -3.753 0.000 -4.894) 6.167 14.434 ( -8.318 0.000 12.205) 14.770 14.851 ( -7.510 0.000 -7.357) 10.513 14.955 ( -2.184 0.000 7.378) 7.694 15.233 ( 0.169 0.000 -9.597) 9.599 15.292 ( -2.941 0.000 8.050) 8.570 15.643 ( 1.587 0.000 -8.963) 9.103 16.510 ( -0.930 0.000 -1.476) 1.745 16.568 ( 15.948 0.000 -4.365) 16.534 16.833 ( 9.287 0.000 -0.385) 9.295 16.859 ( 4.563 0.000 -5.982) 7.524 16.924 ( 2.600 0.000 0.237) 2.611 17.163 ( 2.130 0.000 -8.131) 8.405 17.836 ( -5.484 0.000 0.156) 5.486 17.904 ( -6.447 0.000 -2.156) 6.798 18.058 ( -17.261 0.000 3.765) 17.666 18.353 ( -14.320 0.000 -8.857) 16.838 19.038 ( -26.252 0.000 4.879) 26.702 19.292 ( -23.679 0.000 -9.246) 25.420 19.562 ( 11.347 0.000 10.850) 15.700 19.887 ( 14.226 0.000 -6.403) 15.600 20.985 ( -4.428 0.000 5.658) 7.185 21.138 ( -8.756 0.000 -0.839) 8.796 23.087 ( 10.036 0.000 4.618) 11.047 23.205 ( 4.324 0.000 0.838) 4.404 23.285 ( 2.881 0.000 -5.502) 6.210 23.302 ( 5.117 0.000 -2.570) 5.726 25.132 ( -0.361 0.000 2.679) 2.703 25.153 ( -2.559 0.000 4.197) 4.915 25.384 ( -7.177 0.000 -9.120) 11.605 25.401 ( -7.232 0.000 -8.175) 10.915 ======================= Grid point 136 (53/72) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -2.014 0.000 -0.791) 2.164 1.873 ( -12.813 0.000 3.767) 13.356 2.070 ( -14.139 0.000 -13.269) 19.390 2.301 ( -15.876 0.000 -13.166) 20.625 2.388 ( 7.461 0.000 0.096) 7.461 2.395 ( 2.225 0.000 1.378) 2.617 2.529 ( 1.255 0.000 2.266) 2.590 2.651 ( 7.546 0.000 0.240) 7.549 2.675 ( 2.903 0.000 4.702) 5.526 2.788 ( 0.863 0.000 3.001) 3.123 2.882 ( 7.396 0.000 -6.753) 10.015 2.999 ( -5.287 0.000 10.479) 11.737 3.118 ( -1.361 0.000 -11.712) 11.791 3.166 ( -3.853 0.000 6.137) 7.246 3.380 ( -2.385 0.000 -6.030) 6.485 3.492 ( 2.222 0.000 1.810) 2.866 3.617 ( -0.112 0.000 -13.576) 13.576 3.702 ( -0.269 0.000 -5.980) 5.986 3.978 ( 6.245 0.000 0.024) 6.245 4.167 ( -5.520 0.000 -10.221) 11.616 4.242 ( -11.198 0.000 1.441) 11.290 4.325 ( -2.600 0.000 -2.115) 3.352 4.397 ( -2.803 0.000 3.647) 4.599 4.671 ( -7.440 0.000 -3.618) 8.273 4.917 ( -1.407 0.000 0.893) 1.667 5.034 ( -1.616 0.000 4.484) 4.766 5.108 ( -2.939 0.000 -2.161) 3.648 5.158 ( -4.666 0.000 -1.408) 4.874 5.804 ( 7.185 0.000 16.408) 17.912 6.102 ( -3.642 0.000 6.067) 7.076 6.111 ( 0.385 0.000 5.124) 5.139 6.185 ( 0.266 0.000 -2.673) 2.686 6.319 ( 8.211 0.000 11.991) 14.533 6.706 ( 13.918 0.000 10.714) 17.564 6.759 ( 10.969 0.000 -5.079) 12.088 6.803 ( 8.726 0.000 0.679) 8.752 6.993 ( 0.977 0.000 9.752) 9.801 7.092 ( -7.936 0.000 -0.632) 7.961 7.307 ( 0.550 0.000 4.353) 4.388 7.424 ( 2.228 0.000 -7.865) 8.175 7.457 ( 1.486 0.000 1.735) 2.284 7.493 ( 7.430 0.000 -9.068) 11.723 7.594 ( 7.066 0.000 1.874) 7.310 7.808 ( -1.270 0.000 4.325) 4.508 7.934 ( 8.319 0.000 -2.403) 8.659 8.248 ( -4.203 0.000 7.326) 8.446 8.253 ( 7.051 0.000 0.849) 7.102 8.599 ( 2.132 0.000 9.861) 10.089 8.625 ( 0.108 0.000 -0.535) 0.545 8.886 ( 6.814 0.000 -3.379) 7.606 8.904 ( 8.285 0.000 6.595) 10.589 9.064 ( 12.806 0.000 0.831) 12.833 9.379 ( 6.344 0.000 -4.298) 7.663 9.475 ( -2.057 0.000 -5.164) 5.559 9.760 ( -7.889 0.000 4.960) 9.319 9.812 ( 7.360 0.000 -3.508) 8.153 10.030 ( -8.466 0.000 -1.259) 8.559 10.135 ( -1.865 0.000 3.006) 3.537 10.238 ( -3.672 0.000 -9.847) 10.510 10.489 ( -7.674 0.000 -11.159) 13.543 10.742 ( 3.633 0.000 0.063) 3.633 10.896 ( -0.763 0.000 -8.180) 8.215 11.097 ( 2.593 0.000 3.650) 4.477 11.313 ( -0.972 0.000 -0.961) 1.367 11.491 ( -8.235 0.000 10.634) 13.450 11.526 ( -7.530 0.000 2.770) 8.024 11.671 ( -8.554 0.000 1.896) 8.762 11.779 ( -16.558 0.000 -4.774) 17.233 12.061 ( -8.544 0.000 8.102) 11.775 12.290 ( -1.050 0.000 -4.908) 5.019 12.367 ( -11.345 0.000 -10.581) 15.513 12.513 ( -9.971 0.000 -13.213) 16.553 13.149 ( 6.459 0.000 4.810) 8.053 13.221 ( -1.997 0.000 11.268) 11.444 13.461 ( -8.023 0.000 0.348) 8.031 13.478 ( -5.747 0.000 -2.503) 6.268 13.869 ( 2.802 0.000 8.342) 8.800 14.157 ( 3.165 0.000 -2.769) 4.205 14.282 ( -7.551 0.000 10.685) 13.084 14.646 ( -11.564 0.000 -4.630) 12.456 14.969 ( 2.015 0.000 8.124) 8.370 15.223 ( -4.145 0.000 12.836) 13.489 15.293 ( 5.903 0.000 -9.634) 11.299 15.652 ( -1.187 0.000 -9.898) 9.969 16.582 ( 7.875 0.000 2.839) 8.372 16.811 ( 7.491 0.000 -5.432) 9.253 16.916 ( 1.841 0.000 -3.510) 3.964 16.961 ( 5.249 0.000 -4.163) 6.699 17.096 ( 12.943 0.000 -2.079) 13.109 17.235 ( 4.544 0.000 -6.157) 7.653 17.716 ( -7.748 0.000 -2.691) 8.202 17.745 ( -9.530 0.000 -3.853) 10.280 17.800 ( -6.705 0.000 2.549) 7.173 18.100 ( -10.012 0.000 -10.232) 14.315 18.568 ( -21.772 0.000 2.533) 21.919 18.792 ( -26.274 0.000 -10.328) 28.231 19.861 ( 17.509 0.000 9.841) 20.085 20.154 ( 13.432 0.000 -5.926) 14.681 20.850 ( -9.120 0.000 2.614) 9.487 20.902 ( -15.075 0.000 1.330) 15.134 23.266 ( 7.975 0.000 2.071) 8.239 23.278 ( 3.429 0.000 1.389) 3.700 23.341 ( 2.410 0.000 -2.105) 3.200 23.383 ( 3.177 0.000 -1.928) 3.716 25.099 ( -2.502 0.000 1.097) 2.732 25.113 ( -1.195 0.000 -0.833) 1.457 25.243 ( -7.023 0.000 -6.888) 9.837 25.261 ( -6.843 0.000 -6.876) 9.701 ======================= Grid point 137 (54/72) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -1.719 0.000 -3.823) 4.191 1.792 ( 5.646 0.000 -9.952) 11.442 1.813 ( -10.386 0.000 -10.261) 14.600 1.987 ( -14.156 0.000 -15.175) 20.753 2.439 ( 2.337 0.000 3.229) 3.986 2.493 ( -3.066 0.000 3.530) 4.676 2.535 ( 6.969 0.000 -3.584) 7.837 2.647 ( -4.320 0.000 -4.126) 5.974 2.798 ( 6.600 0.000 7.815) 10.229 2.893 ( 6.874 0.000 2.599) 7.349 2.903 ( -4.744 0.000 9.222) 10.370 3.008 ( -2.374 0.000 -1.797) 2.978 3.136 ( 7.361 0.000 -0.861) 7.412 3.162 ( 6.407 0.000 -10.952) 12.689 3.300 ( -6.478 0.000 -3.690) 7.455 3.344 ( -11.027 0.000 -8.064) 13.661 3.759 ( 6.021 0.000 -4.438) 7.480 3.795 ( 12.490 0.000 -6.172) 13.932 3.939 ( -12.264 0.000 -3.649) 12.795 4.005 ( -6.727 0.000 -3.572) 7.617 4.210 ( 3.328 0.000 -1.115) 3.510 4.310 ( -5.857 0.000 2.927) 6.547 4.329 ( 6.231 0.000 -5.784) 8.502 4.504 ( -9.799 0.000 -5.003) 11.002 4.962 ( 4.847 0.000 3.568) 6.019 5.028 ( 1.286 0.000 3.128) 3.382 5.063 ( -5.171 0.000 0.703) 5.219 5.066 ( -2.074 0.000 -0.343) 2.102 5.925 ( 5.494 0.000 12.828) 13.955 6.021 ( -4.546 0.000 8.870) 9.967 6.121 ( 1.326 0.000 2.666) 2.977 6.160 ( -2.219 0.000 0.625) 2.306 6.527 ( 12.583 0.000 12.196) 17.524 6.776 ( -11.259 0.000 13.328) 17.447 6.915 ( 3.615 0.000 1.246) 3.823 6.921 ( 3.125 0.000 -1.732) 3.573 7.056 ( 6.511 0.000 5.858) 8.758 7.080 ( 12.206 0.000 -3.419) 12.675 7.209 ( -8.034 0.000 -1.299) 8.138 7.320 ( -10.704 0.000 -3.471) 11.253 7.550 ( 8.886 0.000 0.810) 8.923 7.711 ( 11.476 0.000 2.546) 11.756 7.716 ( -7.435 0.000 5.650) 9.338 7.805 ( 6.989 0.000 -3.742) 7.927 8.131 ( -3.384 0.000 10.007) 10.564 8.192 ( 16.213 0.000 -4.876) 16.930 8.231 ( -7.856 0.000 -4.013) 8.822 8.490 ( -12.910 0.000 -4.095) 13.544 8.711 ( 9.042 0.000 12.052) 15.067 8.889 ( -7.664 0.000 10.074) 12.658 9.042 ( 9.493 0.000 -2.546) 9.828 9.207 ( -3.781 0.000 -1.309) 4.001 9.481 ( 10.496 0.000 2.613) 10.817 9.549 ( 8.727 0.000 -2.018) 8.957 9.667 ( -3.626 0.000 3.383) 4.959 9.777 ( -16.073 0.000 2.047) 16.203 10.047 ( 13.582 0.000 -10.717) 17.301 10.129 ( 1.697 0.000 -4.804) 5.095 10.184 ( -3.049 0.000 -7.036) 7.668 10.295 ( -11.768 0.000 -11.108) 16.183 10.952 ( 15.412 0.000 1.623) 15.498 11.013 ( 13.470 0.000 -4.354) 14.157 11.181 ( 5.876 0.000 4.160) 7.199 11.225 ( -10.190 0.000 7.716) 12.782 11.314 ( -10.242 0.000 8.650) 13.406 11.404 ( -19.388 0.000 -3.049) 19.626 11.425 ( -0.524 0.000 -8.355) 8.372 11.504 ( -7.692 0.000 -1.771) 7.893 12.007 ( 2.798 0.000 2.819) 3.972 12.144 ( -10.429 0.000 -5.620) 11.847 12.292 ( 1.393 0.000 -11.440) 11.525 12.358 ( -5.670 0.000 -14.189) 15.280 13.224 ( 2.686 0.000 10.929) 11.254 13.275 ( 6.115 0.000 2.074) 6.457 13.318 ( -6.574 0.000 8.691) 10.898 13.380 ( -4.849 0.000 0.420) 4.867 13.976 ( 7.533 0.000 7.458) 10.600 14.132 ( -8.125 0.000 8.423) 11.703 14.256 ( 7.060 0.000 -2.348) 7.440 14.428 ( -10.490 0.000 -2.632) 10.815 15.034 ( 4.545 0.000 11.320) 12.198 15.132 ( -5.200 0.000 13.543) 14.507 15.439 ( 8.431 0.000 -9.562) 12.748 15.584 ( -5.868 0.000 -9.912) 11.519 16.770 ( 10.016 0.000 2.691) 10.371 16.908 ( 4.422 0.000 -1.673) 4.727 16.910 ( -3.536 0.000 0.148) 3.539 16.992 ( -2.982 0.000 -3.242) 4.405 17.333 ( 11.449 0.000 -5.619) 12.754 17.341 ( 7.038 0.000 -4.602) 8.409 17.521 ( -11.148 0.000 -4.925) 12.188 17.547 ( -10.755 0.000 -5.371) 12.021 17.893 ( 15.617 0.000 -3.915) 16.100 18.035 ( 3.570 0.000 -7.749) 8.531 18.215 ( -14.365 0.000 -2.831) 14.642 18.298 ( -24.280 0.000 -8.995) 25.893 20.216 ( 18.843 0.000 7.042) 20.116 20.408 ( 12.807 0.000 -3.722) 13.337 20.576 ( -18.145 0.000 4.037) 18.589 20.646 ( -11.688 0.000 -0.705) 11.709 23.337 ( 2.452 0.000 1.613) 2.935 23.364 ( -0.150 0.000 0.382) 0.411 23.383 ( 3.961 0.000 0.548) 3.998 23.418 ( 0.191 0.000 -0.719) 0.744 25.077 ( 0.565 0.000 -1.915) 1.997 25.105 ( 0.724 0.000 -3.584) 3.656 25.127 ( -4.587 0.000 -4.614) 6.506 25.152 ( -4.196 0.000 -5.564) 6.968 ======================= Grid point 143 (55/72) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.000 -0.782 10.462) 10.491 1.690 ( 0.000 -2.536 8.130) 8.516 1.940 ( 0.000 5.964 -3.492) 6.911 2.017 ( 0.000 -1.739 -6.476) 6.706 2.315 ( 0.000 1.133 15.569) 15.610 2.366 ( 0.000 -3.917 17.257) 17.696 2.677 ( 0.000 1.784 3.163) 3.631 2.727 ( 0.000 -3.020 -5.426) 6.210 3.014 ( 0.000 3.074 0.085) 3.075 3.075 ( 0.000 -1.619 1.586) 2.267 3.109 ( 0.000 5.769 2.740) 6.387 3.176 ( 0.000 -1.693 2.551) 3.062 3.301 ( 0.000 -2.176 -0.806) 2.320 3.309 ( 0.000 -3.212 -4.833) 5.803 3.367 ( 0.000 1.783 -7.841) 8.042 3.397 ( 0.000 -0.656 -9.299) 9.322 3.780 ( 0.000 8.788 8.325) 12.105 3.973 ( 0.000 -9.833 8.582) 13.051 4.304 ( 0.000 4.216 -12.279) 12.983 4.314 ( 0.000 10.548 16.508) 19.590 4.410 ( 0.000 -6.191 -7.193) 9.490 4.556 ( 0.000 -13.366 17.180) 21.767 4.718 ( 0.000 7.706 1.440) 7.839 4.874 ( 0.000 -7.734 4.699) 9.050 5.205 ( 0.000 5.409 2.275) 5.868 5.213 ( 0.000 1.979 0.940) 2.191 5.308 ( 0.000 1.333 4.533) 4.725 5.328 ( 0.000 0.483 2.335) 2.384 5.607 ( 0.000 3.371 5.397) 6.363 5.723 ( 0.000 -7.536 7.075) 10.337 5.927 ( 0.000 2.536 -4.483) 5.151 5.947 ( 0.000 1.119 -3.687) 3.853 6.361 ( 0.000 3.040 4.156) 5.149 6.414 ( 0.000 1.062 7.518) 7.593 6.432 ( 0.000 -2.069 4.720) 5.153 6.474 ( 0.000 -2.653 1.612) 3.104 6.763 ( 0.000 -0.390 12.629) 12.635 6.769 ( 0.000 -0.366 5.667) 5.679 7.214 ( 0.000 0.142 -5.234) 5.236 7.223 ( 0.000 -1.635 -11.608) 11.723 7.308 ( 0.000 -0.038 7.662) 7.662 7.320 ( 0.000 -1.962 1.361) 2.387 7.547 ( 0.000 -0.157 -4.018) 4.021 7.548 ( 0.000 0.172 -2.965) 2.970 7.560 ( 0.000 7.225 -6.609) 9.792 7.666 ( 0.000 -2.313 -7.433) 7.785 7.763 ( 0.000 0.039 -13.400) 13.400 7.767 ( 0.000 -1.015 -12.775) 12.815 8.268 ( 0.000 1.576 12.219) 12.320 8.336 ( 0.000 -5.493 5.965) 8.109 8.578 ( 0.000 5.270 -5.165) 7.379 8.667 ( 0.000 -3.576 -5.571) 6.619 9.714 ( 0.000 1.407 8.247) 8.366 9.740 ( 0.000 -0.884 11.217) 11.252 9.885 ( 0.000 10.449 -0.107) 10.449 10.080 ( 0.000 -7.668 -6.140) 9.824 10.246 ( 0.000 3.472 3.787) 5.137 10.351 ( 0.000 -6.651 5.753) 8.794 10.514 ( 0.000 8.573 -8.250) 11.898 10.694 ( 0.000 -7.922 -9.885) 12.668 11.082 ( 0.000 2.159 2.002) 2.944 11.160 ( 0.000 -5.054 1.452) 5.258 11.182 ( 0.000 2.999 -3.648) 4.723 11.265 ( 0.000 -6.016 -4.960) 7.797 11.762 ( 0.000 9.696 0.556) 9.712 11.897 ( 0.000 7.749 -5.268) 9.371 11.947 ( 0.000 -7.684 -2.365) 8.040 12.007 ( 0.000 -3.470 -4.130) 5.394 12.620 ( 0.000 0.995 -1.075) 1.464 12.665 ( 0.000 -3.437 1.280) 3.668 12.670 ( 0.000 2.929 -5.102) 5.883 12.728 ( 0.000 -2.553 -4.242) 4.951 13.196 ( 0.000 11.994 17.802) 21.465 13.472 ( 0.000 -15.410 11.522) 19.242 13.836 ( 0.000 5.339 -6.137) 8.134 13.931 ( 0.000 -3.650 -16.409) 16.810 14.323 ( 0.000 17.042 11.417) 20.513 14.626 ( 0.000 -12.369 8.133) 14.803 14.754 ( 0.000 3.378 2.371) 4.127 14.836 ( 0.000 -4.316 3.671) 5.667 15.355 ( 0.000 5.807 -12.001) 13.332 15.467 ( 0.000 -4.034 -4.662) 6.165 15.470 ( 0.000 3.136 -8.800) 9.342 15.568 ( 0.000 -6.698 -12.865) 14.504 16.011 ( 0.000 3.999 16.044) 16.534 16.089 ( 0.000 -3.406 13.588) 14.008 16.739 ( 0.000 0.156 -15.952) 15.952 16.763 ( 0.000 -2.790 -17.886) 18.102 17.292 ( 0.000 13.594 6.433) 15.039 17.541 ( 0.000 -10.111 6.584) 12.066 17.607 ( 0.000 10.038 -6.965) 12.218 17.840 ( 0.000 -12.171 -6.944) 14.012 18.868 ( 0.000 9.404 4.735) 10.529 19.012 ( 0.000 5.729 -1.859) 6.023 19.038 ( 0.000 -6.902 4.225) 8.093 19.134 ( 0.000 -5.559 0.811) 5.618 20.542 ( 0.000 1.390 8.057) 8.176 20.576 ( 0.000 -1.755 8.389) 8.571 20.775 ( 0.000 2.791 -4.719) 5.482 20.827 ( 0.000 -2.133 -4.859) 5.306 22.777 ( 0.000 4.428 9.840) 10.790 22.894 ( 0.000 -7.119 6.152) 9.409 23.121 ( 0.000 2.493 -5.922) 6.425 23.142 ( 0.000 -0.130 -9.336) 9.337 25.076 ( 0.000 2.893 13.925) 14.223 25.136 ( 0.000 -2.746 12.323) 12.625 25.628 ( 0.000 0.360 -13.558) 13.563 25.634 ( 0.000 -0.179 -12.665) 12.666 ======================= Grid point 144 (56/72) ======================= q-point: ( 0.09 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 5.535 -1.998 9.096) 10.834 1.802 ( 9.521 -0.662 8.409) 12.720 1.998 ( 5.668 4.814 -3.212) 8.101 2.069 ( 4.624 -0.243 -5.164) 6.936 2.255 ( -4.308 1.414 14.212) 14.918 2.365 ( -1.198 -5.099 16.967) 17.757 2.681 ( -0.896 -1.360 -3.348) 3.723 2.742 ( 2.019 -0.558 -1.492) 2.572 2.975 ( -4.018 4.889 1.210) 6.443 3.024 ( -3.429 2.305 0.724) 4.195 3.134 ( -0.934 -1.334 1.249) 2.053 3.166 ( -3.489 -1.183 0.112) 3.686 3.221 ( -5.658 0.563 -6.179) 8.397 3.258 ( -2.111 -3.914 -0.369) 4.462 3.341 ( 0.117 -0.902 -6.772) 6.832 3.418 ( -1.047 0.602 -3.618) 3.815 3.756 ( -1.779 8.337 9.456) 12.731 3.940 ( -3.312 -8.977 6.727) 11.696 4.244 ( -4.850 5.344 -2.791) 7.737 4.308 ( -4.251 0.959 -6.110) 7.504 4.413 ( 2.425 0.771 4.954) 5.569 4.532 ( -5.177 1.887 5.820) 8.014 4.663 ( 0.757 -8.953 8.381) 12.287 4.970 ( 3.417 -1.940 5.333) 6.624 5.159 ( -3.589 5.456 0.284) 6.537 5.205 ( -1.383 1.225 -2.134) 2.822 5.282 ( 0.999 -2.824 -0.048) 2.996 5.387 ( 1.549 1.511 1.905) 2.883 5.490 ( -7.457 1.498 8.577) 11.464 5.800 ( 5.630 -4.755 8.890) 11.547 5.880 ( -1.693 1.582 -5.175) 5.670 5.992 ( 2.783 1.995 -0.632) 3.482 6.349 ( -1.226 1.739 5.874) 6.247 6.365 ( -0.701 -1.055 7.069) 7.182 6.448 ( 0.947 -1.237 3.550) 3.877 6.508 ( 0.557 0.285 -1.510) 1.634 6.810 ( 6.811 -0.840 12.202) 13.999 6.902 ( 8.121 1.268 3.196) 8.819 7.110 ( -4.225 -2.092 -7.361) 8.741 7.236 ( -0.715 0.715 3.514) 3.657 7.301 ( -0.962 -2.871 -7.705) 8.279 7.419 ( 7.906 1.294 10.193) 12.964 7.447 ( -0.705 -0.114 1.267) 1.454 7.643 ( 1.813 1.035 -7.727) 8.004 7.656 ( 7.887 3.378 -5.687) 10.293 7.689 ( 5.607 2.636 -8.718) 10.696 7.801 ( 7.326 -5.501 -8.946) 12.805 7.987 ( 13.970 0.737 -11.961) 18.406 8.266 ( 1.889 1.161 11.274) 11.490 8.392 ( 4.816 -2.867 3.094) 6.402 8.562 ( -1.112 2.908 -4.176) 5.209 8.666 ( -0.304 -3.192 -4.916) 5.870 9.608 ( -6.476 0.876 7.374) 9.853 9.770 ( -7.770 6.357 0.304) 10.044 9.821 ( 1.802 -0.570 8.320) 8.532 10.113 ( 1.335 -2.660 -4.881) 5.716 10.182 ( -4.582 -0.370 3.213) 5.608 10.344 ( -1.412 1.383 4.102) 4.554 10.513 ( -0.795 0.043 -7.713) 7.754 10.706 ( 0.531 -3.582 -9.366) 10.042 11.057 ( -3.317 -0.243 2.824) 4.363 11.094 ( -4.155 0.820 0.812) 4.312 11.213 ( 1.098 -1.736 -2.811) 3.482 11.241 ( -1.952 -4.567 -4.942) 7.006 11.774 ( 0.678 8.027 0.277) 8.061 11.854 ( -4.082 4.602 -2.484) 6.634 11.951 ( -0.217 -4.893 -2.979) 5.733 11.983 ( -1.534 -1.949 -2.407) 3.456 12.581 ( -3.288 2.363 1.079) 4.190 12.629 ( -1.866 -0.607 -1.837) 2.688 12.672 ( -0.224 -1.795 -2.376) 2.986 12.780 ( 2.019 -1.420 -5.246) 5.798 13.133 ( -5.310 4.604 19.727) 20.942 13.509 ( 1.001 -7.156 9.694) 12.090 13.720 ( -6.298 3.293 -1.235) 7.214 13.953 ( -1.901 -2.816 -17.770) 18.092 14.147 ( -14.621 7.956 9.614) 19.223 14.633 ( -12.178 -0.098 -8.895) 15.081 14.648 ( 0.042 -4.597 11.057) 11.974 14.830 ( 1.246 1.148 7.990) 8.167 15.278 ( -4.211 -1.948 1.104) 4.769 15.368 ( -8.273 -0.251 -5.771) 10.090 15.445 ( -7.067 1.348 -13.093) 14.939 15.564 ( 2.155 -1.470 -7.104) 7.567 16.108 ( 11.735 6.700 9.481) 16.507 16.316 ( 15.949 -5.525 4.200) 17.394 16.685 ( -3.497 -1.908 -9.947) 10.715 16.782 ( 0.419 0.093 -15.935) 15.941 16.991 ( -16.125 2.358 5.427) 17.177 17.398 ( -14.041 1.708 -9.278) 16.916 17.819 ( 13.624 -1.106 3.270) 14.054 17.952 ( 5.016 -2.380 -2.343) 6.026 18.667 ( -14.229 0.747 6.819) 15.797 18.895 ( -9.667 4.455 -3.376) 11.166 19.170 ( 4.087 -2.810 4.339) 6.589 19.263 ( 14.583 -0.954 -2.132) 14.769 20.118 ( -25.146 -0.001 7.681) 26.293 20.345 ( -25.658 0.390 -5.246) 26.192 20.866 ( 11.604 -0.217 8.442) 14.352 21.111 ( 10.987 0.080 -3.892) 11.657 22.801 ( 3.331 2.401 9.795) 10.621 22.960 ( 5.616 -4.587 4.360) 8.461 23.121 ( 2.098 1.319 -4.377) 5.030 23.195 ( 3.100 0.534 -10.215) 10.688 25.099 ( 2.078 2.545 11.846) 12.293 25.152 ( 1.304 -2.352 10.822) 11.151 25.598 ( -3.052 0.340 -12.777) 13.141 25.606 ( -2.907 -0.234 -12.041) 12.389 ======================= Grid point 145 (57/72) ======================= q-point: ( 0.18 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 9.815 -1.279 6.839) 12.031 2.017 ( 8.362 3.468 8.699) 12.555 2.075 ( -0.222 0.794 4.816) 4.886 2.150 ( 7.832 3.809 1.876) 8.909 2.276 ( 5.983 -4.417 1.043) 7.510 2.294 ( -4.899 -5.536 12.443) 14.473 2.648 ( -2.837 2.727 -9.954) 10.703 2.752 ( -2.552 -4.468 -5.108) 7.250 2.860 ( -7.615 6.673 1.627) 10.255 2.958 ( -4.970 3.871 -0.635) 6.332 2.971 ( -9.197 0.152 0.689) 9.224 3.062 ( -5.523 -6.119 -0.643) 8.268 3.204 ( -0.072 -2.334 -5.650) 6.114 3.280 ( 3.241 -0.615 5.743) 6.623 3.328 ( -1.123 0.114 -7.502) 7.586 3.372 ( -2.872 0.205 1.257) 3.142 3.740 ( 0.407 4.782 9.207) 10.383 3.852 ( -5.568 -4.103 0.123) 6.918 4.104 ( -8.105 5.732 -7.948) 12.717 4.224 ( -4.661 -1.063 -3.830) 6.126 4.383 ( -4.013 0.037 4.261) 5.853 4.496 ( 0.056 4.772 2.586) 5.428 4.644 ( -4.059 -7.812 1.803) 8.986 4.950 ( -5.443 -1.320 4.712) 7.320 5.094 ( -2.572 2.637 -4.653) 5.934 5.140 ( -4.745 0.621 -0.665) 4.832 5.252 ( -5.077 -3.031 -2.720) 6.508 5.354 ( -4.226 1.034 -0.561) 4.386 5.491 ( 7.076 0.853 14.700) 16.337 5.910 ( 6.090 0.269 2.307) 6.518 5.936 ( 7.476 -2.220 3.907) 8.723 6.066 ( 5.068 1.322 3.200) 6.138 6.315 ( -2.664 0.634 7.345) 7.839 6.413 ( 5.101 -1.123 4.235) 6.725 6.463 ( 1.832 0.376 3.191) 3.698 6.511 ( 0.449 0.367 -1.492) 1.601 6.941 ( 5.441 -0.778 5.499) 7.775 7.017 ( 4.184 0.240 0.754) 4.258 7.091 ( 2.232 1.796 -2.734) 3.960 7.227 ( 0.388 0.406 2.287) 2.355 7.289 ( 1.270 -3.548 -6.998) 7.948 7.546 ( 7.248 -1.264 -0.822) 7.404 7.609 ( 7.120 2.760 7.424) 10.650 7.679 ( 5.650 3.852 -2.147) 7.167 7.790 ( 4.509 -1.417 1.920) 5.101 7.803 ( 6.442 0.151 1.646) 6.650 8.042 ( 16.612 -0.540 -6.992) 18.032 8.173 ( 6.533 -4.572 -1.443) 8.103 8.421 ( 10.074 3.266 -0.888) 10.627 8.513 ( 9.478 3.203 -2.635) 10.346 8.558 ( 1.406 -0.788 -2.199) 2.726 8.681 ( 3.550 -4.039 -3.635) 6.491 9.470 ( -8.070 -0.213 3.915) 8.972 9.605 ( -7.242 4.633 -4.617) 9.759 9.832 ( -1.694 -1.578 10.192) 10.451 10.071 ( -4.349 -0.361 -3.122) 5.366 10.138 ( -1.336 -0.333 1.611) 2.119 10.299 ( -2.856 5.483 1.096) 6.278 10.473 ( -3.252 -5.009 -6.688) 8.967 10.674 ( -4.380 -0.426 -9.004) 10.022 10.931 ( -8.500 -2.510 2.828) 9.303 11.044 ( -1.652 2.276 2.420) 3.710 11.153 ( -5.580 -2.575 -4.303) 7.502 11.260 ( 2.076 -2.003 -4.619) 5.446 11.741 ( -4.514 2.273 3.020) 5.888 11.767 ( -4.561 2.728 4.773) 7.143 11.926 ( -1.927 -1.432 -3.012) 3.852 11.981 ( 0.577 0.701 -1.736) 1.959 12.491 ( -6.858 1.448 4.311) 8.229 12.575 ( -6.231 -0.390 0.761) 6.289 12.626 ( -3.197 0.727 -5.907) 6.755 12.774 ( -2.910 -2.199 -6.707) 7.634 13.043 ( -2.796 -0.453 17.278) 17.508 13.413 ( -7.716 1.587 11.921) 14.288 13.686 ( -1.926 1.471 -1.935) 3.101 13.822 ( -11.526 -4.327 -12.353) 17.440 13.896 ( -7.046 -0.484 7.651) 10.413 14.390 ( -10.835 3.093 -12.045) 16.494 14.588 ( -6.466 -0.363 12.111) 13.734 14.877 ( 2.842 1.945 2.670) 4.358 15.127 ( -12.634 -0.694 -3.001) 13.004 15.220 ( -2.162 -3.757 6.089) 7.474 15.371 ( -3.195 2.709 -9.387) 10.280 15.578 ( -0.341 -2.442 -8.943) 9.277 16.368 ( 14.092 9.259 1.583) 16.936 16.597 ( 9.770 -8.020 0.810) 12.666 16.653 ( 1.232 4.003 -11.221) 11.978 16.748 ( -0.446 1.960 3.516) 4.050 16.837 ( -0.653 -5.473 -6.104) 8.225 17.173 ( -8.109 -1.481 -9.920) 12.898 17.923 ( -2.266 -0.353 2.045) 3.073 18.000 ( 0.025 1.739 -0.849) 1.936 18.373 ( -15.927 -1.309 5.993) 17.067 18.655 ( -14.426 2.262 -6.147) 15.843 19.296 ( 9.104 -0.536 7.999) 12.131 19.494 ( -5.332 -0.008 -3.176) 6.206 19.669 ( -6.791 -0.130 3.620) 7.696 19.838 ( -26.212 0.003 -6.219) 26.940 21.003 ( 2.739 -0.134 7.779) 8.249 21.222 ( 0.527 0.069 -2.470) 2.527 22.915 ( 8.085 1.059 7.693) 11.210 23.080 ( 6.437 -2.072 2.160) 7.099 23.200 ( 5.379 0.466 -3.588) 6.483 23.243 ( 2.001 0.314 -8.674) 8.907 25.136 ( 1.323 1.673 7.385) 7.687 25.170 ( 0.153 -1.397 7.453) 7.584 25.513 ( -5.661 0.309 -11.000) 12.375 25.522 ( -5.628 -0.394 -10.378) 11.812 ======================= Grid point 146 (58/72) ======================= q-point: ( 0.27 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -7.618 4.641 8.114) 12.058 2.072 ( -3.898 -2.072 6.256) 7.657 2.125 ( 3.364 -5.361 3.316) 7.145 2.279 ( 8.552 2.163 4.761) 10.024 2.317 ( 6.076 -1.351 1.626) 6.433 2.440 ( 7.424 -0.146 -1.944) 7.676 2.513 ( -8.177 3.046 -10.876) 13.944 2.619 ( -11.974 -3.309 -14.761) 19.292 2.744 ( -3.312 3.701 5.896) 7.710 2.828 ( -4.450 -0.488 2.007) 4.906 2.852 ( -3.087 2.271 -4.175) 5.668 3.003 ( -2.933 -4.867 10.522) 11.958 3.166 ( -3.411 -1.219 -12.659) 13.167 3.301 ( -1.900 4.022 6.924) 8.230 3.353 ( 2.973 -0.990 -4.274) 5.300 3.372 ( 4.468 -1.007 3.838) 5.975 3.728 ( -5.275 1.997 -4.735) 7.365 3.779 ( 2.377 0.112 1.333) 2.727 3.961 ( -7.159 6.201 -11.698) 15.052 4.112 ( -6.740 -7.110 -8.137) 12.736 4.348 ( 0.803 0.016 6.653) 6.701 4.442 ( -6.999 -2.099 5.911) 9.398 4.546 ( -4.010 3.642 -4.546) 7.072 4.804 ( -7.687 -1.324 -2.072) 8.071 5.017 ( -6.576 0.730 -4.350) 7.918 5.063 ( -2.607 0.577 4.563) 5.287 5.161 ( -3.981 -2.536 -2.517) 5.349 5.255 ( -5.304 0.542 -1.215) 5.468 5.651 ( 8.556 0.201 16.589) 18.666 6.041 ( 6.055 0.048 9.088) 10.920 6.105 ( 8.265 -0.710 -3.167) 8.879 6.144 ( 1.018 0.258 4.675) 4.791 6.261 ( -1.329 0.172 8.310) 8.417 6.498 ( 6.330 0.334 7.709) 9.980 6.569 ( 7.058 0.354 -2.297) 7.430 6.608 ( 10.718 -0.078 0.523) 10.731 6.995 ( 0.888 0.628 5.585) 5.690 7.093 ( 3.018 -2.887 1.142) 4.329 7.189 ( 7.131 0.741 -2.669) 7.650 7.268 ( 3.702 0.214 2.572) 4.513 7.379 ( 7.811 -0.617 -8.502) 11.562 7.557 ( -8.702 0.413 4.210) 9.675 7.607 ( 0.755 0.974 -8.515) 8.604 7.794 ( 2.741 3.385 -3.012) 5.295 7.889 ( 4.287 -0.307 9.448) 10.380 8.030 ( 14.680 0.176 11.120) 18.417 8.225 ( 4.084 -0.644 2.830) 5.010 8.426 ( 13.685 -3.950 -5.691) 15.339 8.541 ( 5.968 0.659 5.025) 7.829 8.629 ( 7.465 -2.685 2.302) 8.260 8.789 ( 16.865 1.587 -4.816) 17.610 8.827 ( 9.033 2.487 -5.265) 10.747 9.319 ( -6.153 -2.098 0.553) 6.524 9.520 ( -0.896 2.745 -10.244) 10.643 9.761 ( -5.177 -2.519 8.309) 10.109 9.958 ( -8.004 0.571 0.046) 8.024 10.095 ( -3.064 -0.744 0.980) 3.302 10.245 ( -2.678 5.302 1.139) 6.049 10.399 ( -3.960 0.983 -8.069) 9.042 10.557 ( -6.714 -3.131 -8.373) 11.180 10.775 ( -6.153 -1.692 2.146) 6.733 11.006 ( -4.338 2.399 -6.248) 7.976 11.042 ( -3.126 -2.982 1.707) 4.646 11.288 ( 0.519 -1.648 -5.752) 6.006 11.642 ( -6.800 1.100 8.830) 11.199 11.658 ( -5.414 0.048 9.526) 10.957 11.864 ( -4.846 3.276 -0.511) 5.872 11.954 ( -4.930 -1.907 -3.104) 6.130 12.314 ( -11.282 0.604 6.134) 12.856 12.373 ( -11.270 0.352 1.774) 11.414 12.562 ( -5.527 3.759 -9.906) 11.950 12.664 ( -7.401 -4.424 -10.151) 13.319 13.043 ( 2.601 -0.446 10.061) 10.402 13.306 ( -3.489 2.069 12.939) 13.559 13.569 ( -6.845 -1.513 -3.049) 7.644 13.587 ( -11.318 -4.058 -7.403) 14.120 13.871 ( 1.134 0.665 6.619) 6.748 14.242 ( -4.731 5.176 -8.019) 10.652 14.431 ( -8.586 -0.243 11.689) 14.506 14.837 ( -9.918 -0.972 -7.689) 12.587 14.980 ( -0.773 2.161 9.646) 9.916 15.193 ( -0.970 -4.944 7.881) 9.354 15.316 ( -1.153 4.266 -8.465) 9.549 15.569 ( -0.058 -5.383 -10.313) 11.633 16.619 ( 1.419 9.024 -1.113) 9.202 16.649 ( 14.664 6.452 -2.773) 16.259 16.811 ( 9.996 -5.620 1.311) 11.543 16.840 ( 2.649 -3.686 -4.941) 6.710 16.851 ( 4.531 -1.353 -3.783) 6.056 17.112 ( 1.988 -3.360 -9.510) 10.280 17.826 ( -6.358 -0.534 0.713) 6.420 17.922 ( -7.721 1.052 -2.470) 8.174 18.061 ( -15.761 0.211 4.423) 16.372 18.370 ( -14.215 1.066 -8.572) 16.634 19.034 ( -26.721 -0.265 4.854) 27.160 19.294 ( -23.918 0.079 -9.454) 25.719 19.561 ( 11.789 -0.075 10.817) 16.000 19.887 ( 14.289 -0.035 -6.477) 15.689 20.983 ( -4.407 -0.111 5.745) 7.242 21.139 ( -8.763 0.045 -0.821) 8.802 23.091 ( 9.431 0.245 4.568) 10.482 23.200 ( 5.731 -0.313 1.115) 5.846 23.283 ( 2.416 -0.081 -5.165) 5.702 23.304 ( 4.895 0.082 -3.172) 5.833 25.138 ( -1.294 0.435 3.318) 3.588 25.152 ( -1.650 -0.121 3.751) 4.099 25.386 ( -7.206 0.278 -8.982) 11.518 25.395 ( -7.268 -0.529 -8.483) 11.183 ======================= Grid point 147 (59/72) ======================= q-point: ( 0.36 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -6.393 -0.474 2.594) 6.915 1.885 ( -8.112 0.715 -0.110) 8.145 2.118 ( -14.167 4.523 -12.658) 19.529 2.234 ( -11.265 -5.276 -12.797) 17.846 2.368 ( 4.155 -0.890 1.692) 4.573 2.436 ( 1.510 1.794 -2.989) 3.799 2.517 ( 1.259 -0.674 3.159) 3.466 2.618 ( 7.340 -1.361 0.541) 7.484 2.715 ( 1.534 2.141 4.631) 5.328 2.789 ( 1.304 0.087 3.369) 3.613 2.886 ( 4.804 0.264 -6.949) 8.452 2.927 ( -3.878 -4.084 11.114) 12.460 3.117 ( -0.918 0.206 -11.873) 11.911 3.240 ( -4.812 3.563 7.940) 9.945 3.383 ( -0.919 0.538 -9.049) 9.111 3.482 ( 5.238 -0.512 4.067) 6.651 3.674 ( 1.373 3.230 -7.431) 8.218 3.772 ( -5.418 7.448 -12.624) 15.627 3.910 ( 3.356 -4.574 -2.472) 6.188 3.989 ( -4.100 -11.427 -8.707) 14.939 4.254 ( -10.406 0.788 5.959) 12.017 4.382 ( 0.995 0.349 3.256) 3.422 4.477 ( -4.134 6.092 -4.649) 8.707 4.671 ( -7.235 -0.477 -6.618) 9.817 4.918 ( -1.816 0.857 2.908) 3.534 5.000 ( -2.940 -2.933 6.349) 7.587 5.108 ( -1.826 0.219 -3.547) 3.995 5.161 ( -4.449 0.074 -1.383) 4.660 5.804 ( 7.121 0.043 16.270) 17.760 6.097 ( -2.989 -0.330 6.354) 7.030 6.113 ( 0.252 0.114 5.115) 5.123 6.188 ( 0.447 0.171 -2.788) 2.828 6.323 ( 7.664 0.250 11.995) 14.236 6.709 ( 13.483 0.211 10.381) 17.017 6.761 ( 11.243 0.148 -4.494) 12.109 6.811 ( 9.350 0.504 0.072) 9.364 7.005 ( 0.578 1.057 9.542) 9.617 7.076 ( -6.445 -1.128 -0.020) 6.543 7.286 ( -0.882 -3.848 -2.593) 4.723 7.350 ( 4.791 1.021 0.444) 4.919 7.441 ( -0.122 -3.074 4.388) 5.359 7.527 ( 5.634 0.456 -4.781) 7.403 7.648 ( 5.674 5.075 -7.273) 10.529 7.830 ( 3.022 -2.177 -8.255) 9.056 7.955 ( 3.927 4.890 11.676) 13.254 8.186 ( -1.552 -5.064 12.310) 13.401 8.334 ( 7.456 6.713 -2.866) 10.434 8.509 ( -0.122 -6.533 -2.846) 7.127 8.646 ( 2.533 0.511 9.036) 9.398 8.866 ( 10.415 -0.706 6.662) 12.383 8.927 ( 3.702 0.929 -1.887) 4.258 9.121 ( 12.757 4.758 -2.369) 13.820 9.281 ( 3.467 -6.364 -1.803) 7.468 9.561 ( 1.337 6.232 -4.653) 7.892 9.692 ( 2.587 -6.396 -2.960) 7.507 9.806 ( -4.717 0.073 5.410) 7.178 10.000 ( -7.512 -1.428 -1.733) 7.840 10.189 ( -3.540 2.967 -0.109) 4.620 10.312 ( -5.400 5.994 -7.580) 11.070 10.438 ( -5.494 -4.801 -10.213) 12.552 10.762 ( 5.871 1.453 -0.329) 6.057 10.918 ( -1.258 1.483 -8.668) 8.884 11.046 ( 2.265 -3.181 3.576) 5.295 11.285 ( -0.316 -1.977 -4.783) 5.185 11.482 ( -8.985 -0.366 7.893) 11.965 11.529 ( -9.518 0.081 8.806) 12.967 11.722 ( -10.493 3.392 1.158) 11.088 11.793 ( -10.509 0.583 -2.732) 10.874 12.071 ( -11.213 1.970 6.255) 12.990 12.196 ( -8.579 -6.761 -2.824) 11.282 12.424 ( -6.348 3.912 -9.633) 12.182 12.523 ( -7.373 -0.235 -14.646) 16.398 13.133 ( 6.313 -1.050 4.560) 7.859 13.259 ( -1.303 3.206 12.374) 12.849 13.402 ( -6.947 -4.037 -0.831) 8.078 13.480 ( -3.851 -0.230 -2.254) 4.468 13.905 ( 2.945 1.966 6.797) 7.664 14.191 ( -0.827 2.858 -3.556) 4.636 14.280 ( -7.024 -0.249 10.765) 12.856 14.601 ( -12.988 -3.236 -2.700) 13.654 14.989 ( 1.428 1.637 10.819) 11.035 15.161 ( -2.336 -4.119 10.762) 11.757 15.365 ( 5.550 5.770 -9.547) 12.459 15.583 ( 1.016 -5.651 -11.009) 12.416 16.687 ( 4.879 8.912 2.551) 10.476 16.860 ( 1.710 -5.781 0.032) 6.028 16.873 ( 6.496 4.751 -4.948) 9.447 16.950 ( 5.197 -1.662 -4.440) 7.035 17.051 ( 12.977 -2.885 -3.286) 13.694 17.221 ( 8.393 -0.947 -8.908) 12.276 17.702 ( -6.969 -1.669 -3.904) 8.160 17.723 ( -11.677 -0.436 -3.196) 12.114 17.815 ( -7.242 0.903 3.389) 8.046 18.138 ( -9.030 2.242 -10.140) 13.761 18.552 ( -22.507 -1.062 3.064) 22.739 18.794 ( -26.059 0.160 -10.444) 28.075 19.861 ( 17.468 0.031 9.788) 20.024 20.154 ( 13.444 0.000 -5.952) 14.703 20.849 ( -9.239 -0.118 2.685) 9.622 20.904 ( -14.915 0.091 1.316) 14.973 23.253 ( 6.687 -0.471 2.319) 7.093 23.296 ( 4.379 0.892 1.036) 4.587 23.338 ( 2.970 -0.256 -1.941) 3.557 23.381 ( 2.988 -0.146 -2.005) 3.601 25.095 ( -2.334 -0.162 0.860) 2.493 25.120 ( -1.523 0.364 -0.386) 1.613 25.244 ( -7.130 0.105 -6.780) 9.840 25.257 ( -6.611 -0.317 -7.178) 9.764 ======================= Grid point 148 (60/72) ======================= q-point: ( 0.45 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 1.353 -1.302 -4.357) 4.745 1.794 ( -4.533 0.393 -8.762) 9.873 1.872 ( -5.312 3.440 -11.571) 13.189 1.976 ( -11.526 -1.031 -15.435) 19.291 2.416 ( 2.325 -1.358 3.597) 4.492 2.477 ( -3.620 -1.056 5.241) 6.456 2.559 ( 6.726 1.551 -3.410) 7.699 2.653 ( -2.656 0.271 -3.957) 4.774 2.776 ( 4.019 -1.233 5.907) 7.250 2.848 ( -2.958 -2.570 8.591) 9.443 2.919 ( 8.069 1.406 3.714) 8.993 3.008 ( 7.116 -2.948 -6.954) 10.377 3.076 ( -6.041 2.436 0.047) 6.514 3.149 ( -4.510 -4.211 -2.013) 6.490 3.356 ( 2.025 5.139 -13.341) 14.439 3.471 ( -6.410 6.734 -7.295) 11.818 3.765 ( 5.691 0.383 -5.701) 8.064 3.780 ( 7.688 -1.091 -3.256) 8.420 3.877 ( -3.759 -7.004 -1.369) 8.066 3.941 ( -7.997 -0.785 -4.274) 9.101 4.188 ( 5.749 -1.656 3.917) 7.151 4.320 ( -6.548 1.672 0.342) 6.767 4.430 ( 0.353 5.121 -6.111) 7.981 4.514 ( -7.796 0.167 -7.920) 11.115 4.947 ( 3.228 -0.316 5.018) 5.975 4.980 ( 0.188 -3.041 4.907) 5.776 5.074 ( -1.579 0.595 -0.860) 1.894 5.086 ( -2.958 0.714 -0.163) 3.047 5.925 ( 5.469 -0.008 12.933) 14.042 6.020 ( -4.422 -0.076 9.008) 10.035 6.127 ( 1.335 0.345 2.677) 3.011 6.164 ( -2.125 0.255 0.442) 2.186 6.523 ( 12.304 -0.271 12.275) 17.382 6.767 ( -10.915 -0.518 12.948) 16.943 6.929 ( 3.796 1.209 -0.227) 3.990 6.938 ( 3.143 0.817 -2.550) 4.129 7.045 ( 5.227 -0.560 7.907) 9.495 7.082 ( 11.752 0.032 -3.195) 12.179 7.189 ( -6.797 -1.387 -2.326) 7.317 7.309 ( -8.759 -0.644 -3.303) 9.383 7.545 ( 8.562 -0.628 4.101) 9.514 7.657 ( 2.730 -1.857 3.075) 4.512 7.738 ( 4.371 1.363 1.380) 4.782 7.863 ( -1.394 2.254 -5.326) 5.949 8.112 ( 3.186 -2.499 6.904) 8.003 8.121 ( 4.747 -0.841 4.702) 6.734 8.333 ( -2.332 4.529 -6.464) 8.230 8.470 ( -9.247 -1.680 -5.248) 10.764 8.710 ( 8.901 -0.056 11.664) 14.673 8.891 ( -7.072 0.154 9.680) 11.989 9.037 ( 8.169 -0.255 -2.619) 8.582 9.198 ( -6.262 -0.636 -2.174) 6.659 9.405 ( 12.417 -2.799 4.630) 13.545 9.634 ( -2.726 1.691 2.917) 4.336 9.717 ( 3.734 7.784 1.133) 8.708 9.839 ( -6.162 4.188 -4.703) 8.810 9.906 ( 10.275 -9.825 -4.017) 14.773 10.080 ( -7.780 -4.291 -2.644) 9.270 10.242 ( -0.013 3.064 -9.829) 10.296 10.322 ( -6.601 1.200 -14.443) 15.925 10.946 ( 11.854 0.038 2.282) 12.072 11.055 ( 14.136 2.618 -2.359) 14.569 11.107 ( 1.900 -3.276 7.457) 8.363 11.281 ( -2.134 1.369 0.600) 2.605 11.290 ( -12.600 -1.361 4.128) 13.329 11.331 ( -4.661 -2.162 -0.067) 5.139 11.502 ( -9.924 2.514 -4.916) 11.357 11.540 ( -12.837 2.675 -6.566) 14.665 11.970 ( 0.312 -1.966 5.826) 6.156 12.041 ( -6.461 -5.507 -0.755) 8.523 12.357 ( -0.627 2.966 -11.968) 12.346 12.398 ( -4.749 2.151 -14.235) 15.159 13.255 ( 2.977 1.603 7.931) 8.622 13.270 ( 4.992 0.496 4.595) 6.804 13.309 ( -3.013 -0.918 5.772) 6.575 13.391 ( -5.487 0.584 -0.412) 5.533 13.996 ( 6.212 1.020 7.094) 9.484 14.130 ( -7.013 0.685 8.357) 10.931 14.234 ( 3.988 -1.620 -0.761) 4.371 14.372 ( -9.965 -3.826 -0.339) 10.680 15.039 ( 3.429 0.471 12.501) 12.972 15.106 ( -3.266 -1.598 12.351) 12.876 15.489 ( 6.329 3.709 -10.202) 12.565 15.577 ( -2.296 -1.203 -11.058) 11.357 16.788 ( 5.447 1.685 3.848) 6.879 16.871 ( -1.819 -2.352 1.146) 3.187 16.957 ( 3.258 3.402 -3.181) 5.684 16.999 ( -0.543 -0.314 -4.261) 4.307 17.252 ( 8.605 -3.258 -1.958) 9.407 17.406 ( 8.751 2.563 -7.697) 11.933 17.465 ( -11.269 -2.946 -2.923) 12.009 17.586 ( -7.111 1.346 -8.100) 10.863 17.891 ( 14.735 -0.105 -3.210) 15.081 18.055 ( 1.517 1.439 -8.229) 8.490 18.188 ( -14.614 -1.766 -1.942) 14.848 18.308 ( -23.416 0.530 -9.015) 25.097 20.215 ( 18.816 -0.017 7.048) 20.093 20.408 ( 12.829 0.018 -3.739) 13.362 20.575 ( -18.050 -0.061 4.050) 18.499 20.647 ( -11.779 0.064 -0.697) 11.799 23.338 ( 2.535 0.101 1.485) 2.939 23.356 ( 0.931 -0.390 0.963) 1.395 23.393 ( 2.586 0.565 -0.043) 2.647 23.415 ( 0.405 -0.242 -0.582) 0.749 25.074 ( 0.533 -0.164 -1.860) 1.942 25.105 ( -0.042 0.011 -3.312) 3.312 25.128 ( -4.051 0.088 -4.699) 6.205 25.152 ( -3.940 0.032 -5.798) 7.010 ======================= Grid point 165 (61/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 0.000 0.000 -2.490) 2.490 1.817 ( 0.000 0.000 2.490) 2.490 1.873 ( 0.000 0.000 -8.514) 8.514 1.873 ( 0.000 0.000 8.514) 8.514 2.556 ( 0.000 0.000 -10.562) 10.562 2.556 ( 0.000 0.000 10.562) 10.562 2.686 ( 0.000 0.000 -6.167) 6.167 2.686 ( 0.000 0.000 6.167) 6.167 3.002 ( 0.000 0.000 -2.060) 2.060 3.002 ( 0.000 0.000 2.060) 2.060 3.184 ( 0.000 0.000 -5.059) 5.059 3.184 ( 0.000 0.000 5.059) 5.059 3.281 ( 0.000 0.000 -2.370) 2.370 3.281 ( 0.000 0.000 2.370) 2.370 3.289 ( 0.000 0.000 -1.205) 1.205 3.289 ( 0.000 0.000 1.205) 1.205 3.940 ( 0.000 0.000 -15.541) 15.541 3.940 ( 0.000 0.000 15.541) 15.541 4.237 ( 0.000 0.000 -2.209) 2.209 4.237 ( 0.000 0.000 2.209) 2.209 4.566 ( 0.000 0.000 -4.854) 4.854 4.566 ( 0.000 0.000 4.854) 4.854 5.023 ( 0.000 0.000 -8.041) 8.041 5.023 ( 0.000 0.000 8.041) 8.041 5.174 ( 0.000 0.000 -10.939) 10.939 5.174 ( 0.000 0.000 10.939) 10.939 5.265 ( 0.000 0.000 -5.704) 5.704 5.265 ( 0.000 0.000 5.704) 5.704 5.763 ( 0.000 0.000 -10.699) 10.699 5.763 ( 0.000 0.000 10.699) 10.699 5.894 ( 0.000 0.000 -1.428) 1.428 5.894 ( 0.000 0.000 1.428) 1.428 6.412 ( 0.000 0.000 -5.100) 5.100 6.412 ( 0.000 0.000 5.100) 5.100 6.491 ( 0.000 0.000 -1.113) 1.113 6.491 ( 0.000 0.000 1.113) 1.113 6.946 ( 0.000 0.000 -14.019) 14.019 6.946 ( 0.000 0.000 14.019) 14.019 7.074 ( 0.000 0.000 -12.056) 12.056 7.074 ( 0.000 0.000 12.056) 12.056 7.356 ( 0.000 0.000 -1.497) 1.497 7.356 ( 0.000 0.000 1.497) 1.497 7.509 ( 0.000 0.000 -6.224) 6.224 7.509 ( 0.000 0.000 6.224) 6.224 7.567 ( 0.000 0.000 -5.831) 5.831 7.567 ( 0.000 0.000 5.831) 5.831 7.585 ( 0.000 0.000 -2.953) 2.953 7.585 ( 0.000 0.000 2.953) 2.953 8.457 ( 0.000 0.000 -0.714) 0.714 8.457 ( 0.000 0.000 0.714) 0.714 8.533 ( 0.000 0.000 -12.039) 12.039 8.533 ( 0.000 0.000 12.039) 12.039 9.782 ( 0.000 0.000 -1.733) 1.733 9.782 ( 0.000 0.000 1.733) 1.733 9.969 ( 0.000 0.000 -10.204) 10.204 9.969 ( 0.000 0.000 10.204) 10.204 10.300 ( 0.000 0.000 -5.360) 5.360 10.300 ( 0.000 0.000 5.360) 5.360 10.584 ( 0.000 0.000 -8.979) 8.979 10.584 ( 0.000 0.000 8.979) 8.979 11.103 ( 0.000 0.000 -1.882) 1.882 11.103 ( 0.000 0.000 1.882) 1.882 11.269 ( 0.000 0.000 -3.529) 3.529 11.269 ( 0.000 0.000 3.529) 3.529 11.688 ( 0.000 0.000 -2.798) 2.798 11.688 ( 0.000 0.000 2.798) 2.798 11.984 ( 0.000 0.000 -0.545) 0.545 11.984 ( 0.000 0.000 0.545) 0.545 12.589 ( 0.000 0.000 -0.612) 0.612 12.589 ( 0.000 0.000 0.612) 0.612 12.725 ( 0.000 0.000 -0.174) 0.174 12.725 ( 0.000 0.000 0.174) 0.174 13.520 ( 0.000 0.000 -23.733) 23.733 13.520 ( 0.000 0.000 23.733) 23.733 13.752 ( 0.000 0.000 -1.579) 1.579 13.752 ( 0.000 0.000 1.579) 1.579 14.479 ( 0.000 0.000 -20.456) 20.456 14.479 ( 0.000 0.000 20.456) 20.456 14.881 ( 0.000 0.000 -4.391) 4.391 14.881 ( 0.000 0.000 4.391) 4.391 15.273 ( 0.000 0.000 -7.578) 7.578 15.273 ( 0.000 0.000 7.578) 7.578 15.487 ( 0.000 0.000 -2.447) 2.447 15.487 ( 0.000 0.000 2.447) 2.447 16.374 ( 0.000 0.000 -22.064) 22.064 16.374 ( 0.000 0.000 22.064) 22.064 16.417 ( 0.000 0.000 -16.242) 16.242 16.417 ( 0.000 0.000 16.242) 16.242 17.324 ( 0.000 0.000 -9.912) 9.912 17.324 ( 0.000 0.000 9.912) 9.912 17.813 ( 0.000 0.000 -8.929) 8.929 17.813 ( 0.000 0.000 8.929) 8.929 18.864 ( 0.000 0.000 -5.098) 5.098 18.864 ( 0.000 0.000 5.098) 5.098 19.183 ( 0.000 0.000 -2.533) 2.533 19.183 ( 0.000 0.000 2.533) 2.533 20.651 ( 0.000 0.000 -5.050) 5.050 20.651 ( 0.000 0.000 5.050) 5.050 20.740 ( 0.000 0.000 -6.331) 6.331 20.740 ( 0.000 0.000 6.331) 6.331 22.940 ( 0.000 0.000 -10.186) 10.186 22.940 ( 0.000 0.000 10.186) 10.186 23.033 ( 0.000 0.000 -0.840) 0.840 23.033 ( 0.000 0.000 0.840) 0.840 25.337 ( 0.000 0.000 -14.826) 14.826 25.337 ( 0.000 0.000 14.826) 14.826 25.396 ( 0.000 0.000 -11.910) 11.910 25.396 ( 0.000 0.000 11.910) 11.910 ======================= Grid point 167 (62/72) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 7.572 0.000 -2.061) 7.848 1.894 ( 7.572 0.000 2.061) 7.848 1.929 ( 5.429 0.000 -7.648) 9.379 1.929 ( 5.429 0.000 7.648) 9.379 2.484 ( -5.523 0.000 -10.986) 12.296 2.484 ( -5.523 0.000 10.986) 12.296 2.732 ( 2.207 0.000 -8.029) 8.327 2.732 ( 2.207 0.000 8.029) 8.327 2.944 ( -5.727 0.000 -0.801) 5.782 2.944 ( -5.727 0.000 0.801) 5.782 3.122 ( -4.967 0.000 -0.006) 4.967 3.122 ( -4.967 0.000 0.006) 4.967 3.251 ( -0.582 0.000 -3.129) 3.182 3.251 ( -0.582 0.000 3.129) 3.182 3.339 ( 1.705 0.000 -2.943) 3.401 3.339 ( 1.705 0.000 2.943) 3.401 3.947 ( 0.899 0.000 -16.300) 16.325 3.947 ( 0.899 0.000 16.300) 16.325 4.131 ( -10.512 0.000 -0.021) 10.512 4.131 ( -10.512 0.000 0.021) 10.512 4.546 ( -1.450 0.000 -1.313) 1.956 4.546 ( -1.450 0.000 1.313) 1.956 5.032 ( -4.917 0.000 -8.766) 10.051 5.032 ( -4.917 0.000 8.766) 10.051 5.099 ( -0.685 0.000 -4.258) 4.313 5.099 ( -0.685 0.000 4.258) 4.313 5.309 ( 1.469 0.000 -2.320) 2.746 5.309 ( 1.469 0.000 2.320) 2.746 5.710 ( -1.999 0.000 -11.338) 11.513 5.710 ( -1.999 0.000 11.338) 11.513 5.956 ( 4.530 0.000 -0.307) 4.541 5.956 ( 4.530 0.000 0.307) 4.541 6.415 ( 0.469 0.000 -3.799) 3.828 6.415 ( 0.469 0.000 3.799) 3.828 6.488 ( -0.205 0.000 -0.848) 0.873 6.488 ( -0.205 0.000 0.848) 0.873 6.974 ( 2.844 0.000 -3.470) 4.486 6.974 ( 2.844 0.000 3.470) 4.486 7.088 ( -0.320 0.000 -6.400) 6.408 7.088 ( -0.320 0.000 6.400) 6.408 7.372 ( 2.740 0.000 -4.089) 4.922 7.372 ( 2.740 0.000 4.089) 4.922 7.496 ( 1.598 0.000 -4.714) 4.978 7.496 ( 1.598 0.000 4.714) 4.978 7.666 ( 12.191 0.000 -9.336) 15.355 7.666 ( 12.191 0.000 9.336) 15.355 7.746 ( 10.824 0.000 -0.511) 10.836 7.746 ( 10.824 0.000 0.511) 10.836 8.420 ( -2.666 0.000 -2.815) 3.877 8.420 ( -2.666 0.000 2.815) 3.877 8.576 ( 3.442 0.000 -7.688) 8.424 8.576 ( 3.442 0.000 7.688) 8.424 9.682 ( -8.320 0.000 -2.141) 8.591 9.682 ( -8.320 0.000 2.141) 8.591 10.003 ( 1.818 0.000 -7.765) 7.975 10.003 ( 1.818 0.000 7.765) 7.975 10.253 ( -4.170 0.000 -4.544) 6.167 10.253 ( -4.170 0.000 4.544) 6.167 10.596 ( 0.345 0.000 -6.737) 6.746 10.596 ( 0.345 0.000 6.737) 6.746 11.071 ( -3.293 0.000 -0.966) 3.432 11.071 ( -3.293 0.000 0.966) 3.432 11.253 ( -1.508 0.000 -1.565) 2.174 11.253 ( -1.508 0.000 1.565) 2.174 11.708 ( 1.810 0.000 -2.230) 2.872 11.708 ( 1.810 0.000 2.230) 2.872 11.974 ( -1.018 0.000 -0.140) 1.027 11.974 ( -1.018 0.000 0.140) 1.027 12.560 ( -2.451 0.000 -0.949) 2.628 12.560 ( -2.451 0.000 0.949) 2.628 12.743 ( 0.544 0.000 -1.825) 1.905 12.743 ( 0.544 0.000 1.825) 1.905 13.524 ( -0.056 0.000 -23.952) 23.952 13.524 ( -0.056 0.000 23.952) 23.952 13.694 ( -5.479 0.000 -1.558) 5.696 13.694 ( -5.479 0.000 1.558) 5.696 14.349 ( -11.605 0.000 -17.766) 21.220 14.349 ( -11.605 0.000 17.766) 21.220 14.879 ( -1.271 0.000 -5.235) 5.387 14.879 ( -1.271 0.000 5.235) 5.387 15.230 ( -4.392 0.000 -3.204) 5.436 15.230 ( -4.392 0.000 3.204) 5.436 15.463 ( -1.467 0.000 -5.519) 5.710 15.463 ( -1.467 0.000 5.519) 5.710 16.319 ( -0.130 0.000 -14.106) 14.106 16.319 ( -0.130 0.000 14.106) 14.106 16.564 ( 8.832 0.000 -6.110) 10.739 16.564 ( 8.832 0.000 6.110) 10.740 17.163 ( -11.606 0.000 -11.817) 16.564 17.163 ( -11.606 0.000 11.817) 16.564 17.918 ( 6.007 0.000 -4.231) 7.348 17.918 ( 6.007 0.000 4.231) 7.348 18.759 ( -10.121 0.000 -4.438) 11.051 18.759 ( -10.121 0.000 4.438) 11.051 19.254 ( 6.947 0.000 -1.205) 7.051 19.254 ( 6.947 0.000 1.205) 7.051 20.241 ( -25.489 0.000 -5.167) 26.007 20.241 ( -25.489 0.000 5.167) 26.007 21.011 ( 11.526 0.000 -6.070) 13.026 21.011 ( 11.526 0.000 6.070) 13.026 22.973 ( 3.359 0.000 -9.960) 10.511 22.973 ( 3.359 0.000 9.960) 10.511 23.065 ( 3.151 0.000 -0.178) 3.156 23.065 ( 3.151 0.000 0.178) 3.156 25.324 ( -1.368 0.000 -12.116) 12.193 25.324 ( -1.368 0.000 12.116) 12.193 25.389 ( -0.908 0.000 -9.604) 9.647 25.389 ( -0.908 0.000 9.604) 9.646 ======================= Grid point 169 (63/72) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 4.901 0.000 -4.554) 6.690 2.041 ( 4.901 0.000 4.554) 6.690 2.092 ( 11.454 0.000 -3.779) 12.062 2.092 ( 11.454 0.000 3.779) 12.062 2.385 ( -3.484 0.000 -9.715) 10.321 2.385 ( -3.484 0.000 9.715) 10.321 2.671 ( -10.384 0.000 -10.961) 15.098 2.671 ( -10.384 0.000 10.961) 15.098 2.838 ( -3.588 0.000 -1.183) 3.778 2.838 ( -3.588 0.000 1.183) 3.778 3.027 ( -4.690 0.000 -6.350) 7.894 3.027 ( -4.690 0.000 6.350) 7.894 3.253 ( 0.880 0.000 -0.090) 0.884 3.253 ( 0.880 0.000 0.090) 0.884 3.353 ( 0.169 0.000 -1.603) 1.611 3.353 ( 0.169 0.000 1.603) 1.611 3.877 ( -14.152 0.000 -2.611) 14.391 3.877 ( -14.152 0.000 2.611) 14.391 3.974 ( 1.542 0.000 -14.892) 14.972 3.974 ( 1.542 0.000 14.892) 14.972 4.515 ( -1.990 0.000 -0.813) 2.150 4.515 ( -1.990 0.000 0.813) 2.150 4.854 ( -10.823 0.000 -9.214) 14.214 4.854 ( -10.823 0.000 9.214) 14.214 5.091 ( -2.760 0.000 -0.188) 2.767 5.091 ( -2.760 0.000 0.188) 2.767 5.294 ( -2.727 0.000 -1.068) 2.929 5.294 ( -2.727 0.000 1.068) 2.929 5.763 ( 7.478 0.000 -11.587) 13.790 5.763 ( 7.478 0.000 11.587) 13.790 6.064 ( 6.660 0.000 -1.761) 6.889 6.064 ( 6.660 0.000 1.761) 6.889 6.425 ( -0.130 0.000 -4.514) 4.515 6.425 ( -0.130 0.000 4.514) 4.515 6.496 ( 2.177 0.000 -0.639) 2.268 6.496 ( 2.177 0.000 0.639) 2.268 7.036 ( 3.459 0.000 -0.884) 3.571 7.036 ( 3.459 0.000 0.884) 3.571 7.089 ( 1.825 0.000 -3.067) 3.569 7.089 ( 1.825 0.000 3.067) 3.569 7.407 ( 1.305 0.000 -6.936) 7.058 7.407 ( 1.305 0.000 6.936) 7.058 7.604 ( 6.124 0.000 -0.340) 6.134 7.604 ( 6.124 0.000 0.340) 6.134 7.935 ( 9.547 0.000 -6.424) 11.507 7.935 ( 9.547 0.000 6.424) 11.507 8.011 ( 20.270 0.000 -15.526) 25.533 8.011 ( 20.270 0.000 15.526) 25.533 8.403 ( 3.085 0.000 -2.758) 4.138 8.403 ( 3.085 0.000 2.758) 4.138 8.649 ( 3.860 0.000 -4.965) 6.289 8.649 ( 3.860 0.000 4.965) 6.289 9.508 ( -8.973 0.000 -0.215) 8.975 9.508 ( -8.973 0.000 0.215) 8.975 10.005 ( -1.934 0.000 -5.135) 5.487 10.005 ( -1.934 0.000 5.135) 5.487 10.167 ( -4.076 0.000 -4.631) 6.169 10.167 ( -4.076 0.000 4.631) 6.169 10.563 ( -4.233 0.000 -5.774) 7.160 10.563 ( -4.233 0.000 5.774) 7.160 10.979 ( -6.083 0.000 -1.979) 6.397 10.979 ( -6.083 0.000 1.979) 6.397 11.220 ( -1.707 0.000 -3.518) 3.910 11.220 ( -1.707 0.000 3.518) 3.910 11.747 ( 1.830 0.000 -1.441) 2.329 11.747 ( 1.830 0.000 1.441) 2.329 11.941 ( -2.693 0.000 -1.565) 3.115 11.941 ( -2.693 0.000 1.565) 3.115 12.498 ( -4.193 0.000 -2.677) 4.974 12.498 ( -4.193 0.000 2.677) 4.974 12.699 ( -5.905 0.000 -5.013) 7.746 12.699 ( -5.905 0.000 5.013) 7.746 13.460 ( -7.435 0.000 -19.661) 21.020 13.460 ( -7.435 0.000 19.661) 21.020 13.601 ( -3.167 0.000 -3.502) 4.721 13.601 ( -3.167 0.000 3.502) 4.721 14.117 ( -10.030 0.000 -12.682) 16.169 14.117 ( -10.030 0.000 12.682) 16.169 14.806 ( -6.132 0.000 -8.820) 10.742 14.806 ( -6.132 0.000 8.820) 10.742 15.135 ( -4.331 0.000 -4.964) 6.588 15.135 ( -4.331 0.000 4.964) 6.588 15.454 ( 0.436 0.000 -8.298) 8.310 15.454 ( 0.436 0.000 8.298) 8.310 16.375 ( 5.432 0.000 -8.978) 10.493 16.375 ( 5.432 0.000 8.978) 10.493 16.712 ( 6.104 0.000 -3.205) 6.894 16.712 ( 6.104 0.000 3.205) 6.894 16.999 ( -3.956 0.000 -10.410) 11.136 16.999 ( -3.956 0.000 10.410) 11.136 17.957 ( -2.075 0.000 -0.875) 2.252 17.957 ( -2.075 0.000 0.875) 2.252 18.502 ( -15.784 0.000 -5.813) 16.820 18.502 ( -15.784 0.000 5.813) 16.820 19.419 ( 6.946 0.000 -4.313) 8.176 19.419 ( 6.946 0.000 4.313) 8.176 19.746 ( -22.521 0.000 -3.707) 22.824 19.746 ( -22.521 0.000 3.707) 22.824 21.139 ( 1.715 0.000 -5.638) 5.893 21.139 ( 1.715 0.000 5.638) 5.893 23.062 ( 5.555 0.000 -8.429) 10.095 23.062 ( 5.555 0.000 8.429) 10.095 23.146 ( 4.930 0.000 -2.063) 5.344 23.146 ( 4.930 0.000 2.063) 5.344 25.283 ( -2.977 0.000 -7.450) 8.023 25.283 ( -2.977 0.000 7.450) 8.023 25.352 ( -3.037 0.000 -5.962) 6.691 25.352 ( -3.037 0.000 5.962) 6.691 ======================= Grid point 171 (64/72) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -7.060 0.000 -9.141) 11.550 2.023 ( -7.060 0.000 9.141) 11.550 2.294 ( 7.366 0.000 -0.472) 7.381 2.294 ( 7.366 0.000 0.472) 7.381 2.384 ( -16.729 0.000 -9.936) 19.457 2.384 ( -16.729 0.000 9.936) 19.457 2.431 ( 8.246 0.000 -0.580) 8.267 2.431 ( 8.246 0.000 0.580) 8.266 2.775 ( -3.025 0.000 -0.847) 3.141 2.775 ( -3.025 0.000 0.847) 3.141 2.946 ( -3.428 0.000 -8.839) 9.480 2.946 ( -3.428 0.000 8.839) 9.480 3.272 ( -0.475 0.000 -6.351) 6.369 3.272 ( -0.475 0.000 6.351) 6.369 3.355 ( 0.535 0.000 -5.467) 5.493 3.355 ( 0.535 0.000 5.467) 5.493 3.644 ( -8.304 0.000 -4.178) 9.295 3.644 ( -8.304 0.000 4.178) 9.295 3.997 ( 0.835 0.000 -10.768) 10.801 3.997 ( 0.835 0.000 10.769) 10.801 4.445 ( -6.315 0.000 -2.444) 6.772 4.445 ( -6.315 0.000 2.444) 6.772 4.659 ( -8.134 0.000 -11.782) 14.317 4.659 ( -8.134 0.000 11.782) 14.317 5.023 ( -2.995 0.000 -4.241) 5.192 5.023 ( -2.995 0.000 4.241) 5.192 5.218 ( -4.785 0.000 -1.136) 4.918 5.218 ( -4.785 0.000 1.136) 4.918 5.939 ( 8.818 0.000 -11.629) 14.595 5.939 ( 8.818 0.000 11.629) 14.595 6.170 ( 2.454 0.000 -1.478) 2.865 6.170 ( 2.454 0.000 1.478) 2.865 6.433 ( 3.311 0.000 -8.939) 9.533 6.433 ( 3.311 0.000 8.939) 9.533 6.602 ( 8.613 0.000 -2.842) 9.070 6.602 ( 8.613 0.000 2.842) 9.070 7.119 ( 3.972 0.000 -5.673) 6.925 7.119 ( 3.972 0.000 5.673) 6.925 7.166 ( 6.777 0.000 -3.862) 7.800 7.166 ( 6.777 0.000 3.862) 7.800 7.434 ( 0.797 0.000 -6.243) 6.294 7.434 ( 0.797 0.000 6.243) 6.294 7.656 ( -0.099 0.000 -6.032) 6.033 7.656 ( -0.099 0.000 6.032) 6.033 8.030 ( 2.411 0.000 -7.176) 7.570 8.030 ( 2.411 0.000 7.176) 7.570 8.387 ( 13.803 0.000 -12.251) 18.456 8.387 ( 13.803 0.000 12.251) 18.456 8.631 ( 19.401 0.000 -4.318) 19.875 8.631 ( 19.401 0.000 4.318) 19.875 8.725 ( 5.244 0.000 -3.259) 6.174 8.725 ( 5.244 0.000 3.259) 6.174 9.361 ( -5.522 0.000 -2.905) 6.240 9.361 ( -5.522 0.000 2.905) 6.240 9.926 ( -5.866 0.000 -3.323) 6.742 9.926 ( -5.866 0.000 3.323) 6.742 10.112 ( -1.492 0.000 -4.479) 4.721 10.112 ( -1.492 0.000 4.479) 4.721 10.433 ( -8.783 0.000 -8.480) 12.209 10.433 ( -8.783 0.000 8.480) 12.209 10.849 ( -6.593 0.000 -4.238) 7.838 10.849 ( -6.593 0.000 4.238) 7.837 11.194 ( -0.711 0.000 -6.783) 6.821 11.194 ( -0.711 0.000 6.783) 6.821 11.758 ( -1.463 0.000 -3.214) 3.531 11.758 ( -1.463 0.000 3.214) 3.531 11.848 ( -7.385 0.000 -6.711) 9.979 11.848 ( -7.385 0.000 6.711) 9.979 12.391 ( -6.935 0.000 -4.010) 8.011 12.391 ( -6.935 0.000 4.010) 8.011 12.510 ( -12.876 0.000 -10.305) 16.492 12.510 ( -12.876 0.000 10.305) 16.492 13.316 ( -5.739 0.000 -12.111) 13.402 13.316 ( -5.739 0.000 12.111) 13.402 13.525 ( -4.498 0.000 -1.934) 4.896 13.525 ( -4.498 0.000 1.934) 4.896 14.017 ( -0.745 0.000 -8.436) 8.468 14.017 ( -0.745 0.000 8.436) 8.468 14.665 ( -8.033 0.000 -10.755) 13.424 14.665 ( -8.033 0.000 10.755) 13.424 15.085 ( -0.560 0.000 -6.199) 6.224 15.085 ( -0.560 0.000 6.199) 6.224 15.466 ( 0.347 0.000 -9.043) 9.050 15.466 ( 0.347 0.000 9.043) 9.050 16.512 ( 8.369 0.000 -1.468) 8.497 16.512 ( 8.369 0.000 1.468) 8.497 16.805 ( 4.289 0.000 -0.397) 4.308 16.805 ( 4.289 0.000 0.397) 4.308 17.013 ( 4.359 0.000 -6.946) 8.201 17.013 ( 4.359 0.000 6.946) 8.201 17.861 ( -7.021 0.000 -2.079) 7.323 17.861 ( -7.021 0.000 2.079) 7.323 18.179 ( -16.697 0.000 -8.100) 18.558 18.179 ( -16.697 0.000 8.100) 18.558 19.142 ( -26.043 0.000 -6.082) 26.743 19.142 ( -26.043 0.000 6.082) 26.743 19.748 ( 13.070 0.000 -8.015) 15.331 19.748 ( 13.070 0.000 8.015) 15.331 21.086 ( -6.791 0.000 -4.182) 7.975 21.086 ( -6.791 0.000 4.182) 7.975 23.179 ( 6.299 0.000 -4.793) 7.915 23.179 ( 6.299 0.000 4.793) 7.915 23.245 ( 5.139 0.000 -2.684) 5.797 23.245 ( 5.139 0.000 2.684) 5.797 25.211 ( -4.347 0.000 -3.496) 5.578 25.211 ( -4.347 0.000 3.496) 5.578 25.271 ( -5.227 0.000 -3.214) 6.136 25.271 ( -5.227 0.000 3.214) 6.136 ======================= Grid point 173 (65/72) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -10.296 0.000 -8.260) 13.200 1.837 ( -10.296 0.000 8.260) 13.200 2.025 ( -17.796 0.000 -11.327) 21.095 2.025 ( -17.796 0.000 11.327) 21.095 2.403 ( 4.256 0.000 -0.923) 4.355 2.403 ( 4.256 0.000 0.923) 4.355 2.610 ( 4.099 0.000 -3.949) 5.692 2.610 ( 4.099 0.000 3.949) 5.692 2.766 ( 5.538 0.000 -4.501) 7.136 2.766 ( 5.538 0.000 4.501) 7.136 2.910 ( 0.286 0.000 -8.118) 8.123 2.910 ( 0.286 0.000 8.118) 8.123 3.182 ( -7.286 0.000 -7.246) 10.275 3.182 ( -7.286 0.000 7.246) 10.275 3.375 ( -1.117 0.000 -8.969) 9.038 3.375 ( -1.117 0.000 8.969) 9.038 3.586 ( 2.313 0.000 -5.914) 6.350 3.586 ( 2.313 0.000 5.914) 6.350 4.020 ( 1.489 0.000 -4.416) 4.660 4.020 ( 1.489 0.000 4.416) 4.660 4.274 ( -9.355 0.000 -2.396) 9.657 4.274 ( -9.355 0.000 2.396) 9.657 4.538 ( -5.776 0.000 -8.409) 10.202 4.538 ( -5.776 0.000 8.409) 10.202 5.001 ( 0.651 0.000 -5.363) 5.402 5.001 ( 0.651 0.000 5.363) 5.402 5.127 ( -4.127 0.000 -2.146) 4.652 5.127 ( -4.127 0.000 2.146) 4.652 6.063 ( 3.899 0.000 -9.687) 10.442 6.063 ( 3.899 0.000 9.687) 10.442 6.161 ( -1.784 0.000 -0.094) 1.786 6.161 ( -1.784 0.000 0.094) 1.786 6.567 ( 9.138 0.000 -12.154) 15.207 6.567 ( 9.138 0.000 12.154) 15.207 6.809 ( 11.734 0.000 -1.095) 11.784 6.809 ( 11.734 0.000 1.095) 11.784 7.135 ( -2.889 0.000 -0.299) 2.905 7.135 ( -2.889 0.000 0.299) 2.905 7.332 ( 2.821 0.000 -3.402) 4.419 7.332 ( 2.821 0.000 3.402) 4.419 7.402 ( 2.969 0.000 -4.802) 5.646 7.402 ( 2.969 0.000 4.802) 5.646 7.712 ( 6.976 0.000 -7.914) 10.550 7.712 ( 6.976 0.000 7.914) 10.550 8.064 ( 0.944 0.000 -10.030) 10.075 8.064 ( 0.944 0.000 10.030) 10.075 8.508 ( -1.435 0.000 -10.286) 10.386 8.508 ( -1.435 0.000 10.286) 10.386 8.791 ( 5.503 0.000 -7.306) 9.147 8.791 ( 5.503 0.000 7.306) 9.146 9.045 ( 14.906 0.000 -5.496) 15.886 9.045 ( 14.906 0.000 5.496) 15.886 9.334 ( 3.610 0.000 -2.353) 4.309 9.334 ( 3.610 0.000 2.353) 4.309 9.821 ( -3.108 0.000 -0.218) 3.115 9.821 ( -3.108 0.000 0.218) 3.115 10.068 ( -5.297 0.000 -5.911) 7.937 10.068 ( -5.297 0.000 5.911) 7.937 10.267 ( -6.845 0.000 -9.998) 12.117 10.267 ( -6.845 0.000 9.998) 12.117 10.779 ( 1.562 0.000 -3.799) 4.108 10.779 ( 1.562 0.000 3.799) 4.108 11.204 ( 2.045 0.000 -6.731) 7.035 11.204 ( 2.045 0.000 6.731) 7.035 11.631 ( -12.263 0.000 -2.057) 12.435 11.631 ( -12.263 0.000 2.057) 12.435 11.685 ( -9.150 0.000 -0.578) 9.169 11.685 ( -9.150 0.000 0.578) 9.169 12.233 ( -9.304 0.000 -0.846) 9.343 12.233 ( -9.304 0.000 0.846) 9.343 12.264 ( -10.144 0.000 -9.746) 14.067 12.264 ( -10.144 0.000 9.746) 14.067 13.265 ( 0.488 0.000 -5.138) 5.162 13.265 ( 0.488 0.000 5.138) 5.162 13.457 ( -2.690 0.000 -0.364) 2.715 13.457 ( -2.690 0.000 0.364) 2.715 14.047 ( 3.286 0.000 -8.255) 8.885 14.047 ( 3.286 0.000 8.255) 8.885 14.498 ( -9.240 0.000 -9.997) 13.613 14.498 ( -9.240 0.000 9.997) 13.613 15.124 ( 4.597 0.000 -7.810) 9.063 15.124 ( 4.597 0.000 7.810) 9.063 15.453 ( -2.039 0.000 -10.559) 10.754 15.453 ( -2.039 0.000 10.559) 10.754 16.684 ( 8.993 0.000 -6.692) 11.209 16.684 ( 8.993 0.000 6.692) 11.209 16.893 ( 4.345 0.000 -1.526) 4.605 16.893 ( 4.345 0.000 1.526) 4.605 17.131 ( 7.405 0.000 -4.247) 8.536 17.131 ( 7.405 0.000 4.247) 8.536 17.700 ( -10.072 0.000 -0.813) 10.105 17.700 ( -10.072 0.000 0.813) 10.105 17.910 ( -8.824 0.000 -8.206) 12.050 17.910 ( -8.824 0.000 8.206) 12.050 18.640 ( -25.076 0.000 -5.238) 25.617 18.640 ( -25.076 0.000 5.238) 25.617 20.028 ( 15.240 0.000 -7.216) 16.862 20.028 ( 15.240 0.000 7.216) 16.862 20.896 ( -12.319 0.000 -1.640) 12.428 20.896 ( -12.319 0.000 1.640) 12.428 23.294 ( 5.315 0.000 -0.839) 5.381 23.294 ( 5.315 0.000 0.839) 5.381 23.335 ( 3.907 0.000 -2.225) 4.497 23.335 ( 3.907 0.000 2.225) 4.497 25.125 ( -4.118 0.000 -0.802) 4.196 25.125 ( -4.118 0.000 0.802) 4.196 25.163 ( -5.411 0.000 -1.535) 5.624 25.163 ( -5.411 0.000 1.535) 5.624 ======================= Grid point 175 (66/72) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -3.226 0.000 -0.673) 3.296 1.691 ( -3.226 0.000 0.673) 3.296 1.750 ( -9.404 0.000 -7.192) 11.839 1.750 ( -9.404 0.000 7.192) 11.839 2.485 ( 4.444 0.000 -1.916) 4.840 2.485 ( 4.444 0.000 1.916) 4.840 2.573 ( -4.401 0.000 -3.812) 5.822 2.573 ( -4.401 0.000 3.812) 5.822 2.918 ( 5.084 0.000 -2.401) 5.622 2.918 ( 5.084 0.000 2.401) 5.622 2.981 ( 3.442 0.000 -1.803) 3.886 2.981 ( 3.442 0.000 1.803) 3.886 3.075 ( 1.616 0.000 -4.388) 4.676 3.075 ( 1.616 0.000 4.388) 4.676 3.257 ( -9.974 0.000 -0.310) 9.979 3.257 ( -9.974 0.000 0.310) 9.979 3.721 ( 10.350 0.000 -1.005) 10.399 3.721 ( 10.350 0.000 1.005) 10.399 3.939 ( -10.652 0.000 -2.693) 10.987 3.939 ( -10.652 0.000 2.693) 10.987 4.240 ( 6.495 0.000 -3.341) 7.304 4.240 ( 6.495 0.000 3.341) 7.304 4.401 ( -8.469 0.000 -5.308) 9.995 4.401 ( -8.469 0.000 5.308) 9.995 5.030 ( 1.882 0.000 -2.818) 3.389 5.030 ( 1.882 0.000 2.818) 3.389 5.068 ( -2.196 0.000 -0.554) 2.265 5.068 ( -2.196 0.000 0.554) 2.265 6.107 ( 1.366 0.000 -5.406) 5.576 6.107 ( 1.366 0.000 5.407) 5.577 6.131 ( -1.273 0.000 -2.635) 2.927 6.131 ( -1.273 0.000 2.635) 2.927 6.759 ( 10.497 0.000 -10.756) 15.029 6.759 ( 10.497 0.000 10.756) 15.029 6.945 ( -5.278 0.000 -1.475) 5.481 6.945 ( -5.278 0.000 1.475) 5.481 7.081 ( 5.337 0.000 -4.696) 7.109 7.081 ( 5.337 0.000 4.696) 7.109 7.226 ( -7.147 0.000 -5.399) 8.957 7.226 ( -7.147 0.000 5.399) 8.957 7.625 ( 12.528 0.000 -6.136) 13.950 7.625 ( 12.528 0.000 6.136) 13.950 7.798 ( -2.781 0.000 -1.579) 3.198 7.798 ( -2.781 0.000 1.579) 3.198 8.129 ( 9.055 0.000 -0.025) 9.055 8.129 ( 9.055 0.000 0.025) 9.055 8.362 ( -11.932 0.000 -8.471) 14.633 8.362 ( -11.932 0.000 8.471) 14.634 8.930 ( 8.877 0.000 -8.814) 12.509 8.930 ( 8.877 0.000 8.814) 12.509 9.101 ( -6.742 0.000 -9.588) 11.721 9.101 ( -6.742 0.000 9.588) 11.721 9.514 ( 13.409 0.000 -1.414) 13.484 9.514 ( 13.409 0.000 1.414) 13.484 9.762 ( -9.280 0.000 -4.866) 10.478 9.762 ( -9.280 0.000 4.866) 10.478 9.995 ( 4.168 0.000 -5.673) 7.040 9.995 ( 4.168 0.000 5.673) 7.040 10.140 ( -7.733 0.000 -3.056) 8.315 10.140 ( -7.733 0.000 3.056) 8.315 10.969 ( 17.073 0.000 -0.817) 17.092 10.969 ( 17.073 0.000 0.817) 17.092 11.281 ( 5.170 0.000 -5.903) 7.847 11.281 ( 5.170 0.000 5.903) 7.847 11.340 ( -17.002 0.000 -3.804) 17.423 11.340 ( -17.002 0.000 3.804) 17.423 11.462 ( -11.798 0.000 -4.587) 12.658 11.462 ( -11.798 0.000 4.587) 12.658 12.105 ( -2.552 0.000 -7.394) 7.823 12.105 ( -2.552 0.000 7.395) 7.823 12.128 ( -4.454 0.000 -6.116) 7.566 12.128 ( -4.454 0.000 6.116) 7.566 13.317 ( 4.150 0.000 -0.619) 4.196 13.317 ( 4.150 0.000 0.619) 4.196 13.398 ( -3.751 0.000 -0.105) 3.752 13.398 ( -3.751 0.000 0.105) 3.752 14.147 ( 7.154 0.000 -8.344) 10.991 14.147 ( 7.154 0.000 8.344) 10.991 14.313 ( -9.567 0.000 -8.601) 12.865 14.313 ( -9.567 0.000 8.601) 12.865 15.246 ( 7.330 0.000 -10.194) 12.555 15.246 ( 7.330 0.000 10.194) 12.555 15.378 ( -5.686 0.000 -11.292) 12.643 15.378 ( -5.686 0.000 11.292) 12.643 16.844 ( 7.104 0.000 -4.258) 8.282 16.844 ( 7.104 0.000 4.258) 8.282 16.932 ( -1.270 0.000 -2.243) 2.578 16.932 ( -1.270 0.000 2.243) 2.578 17.289 ( 8.819 0.000 -0.618) 8.841 17.289 ( 8.819 0.000 0.618) 8.841 17.481 ( -11.243 0.000 -0.937) 11.282 17.481 ( -11.243 0.000 0.937) 11.281 17.906 ( 8.384 0.000 -4.474) 9.504 17.906 ( 8.384 0.000 4.474) 9.504 18.196 ( -20.130 0.000 -1.567) 20.191 18.196 ( -20.130 0.000 1.567) 20.191 20.329 ( 15.740 0.000 -4.619) 16.404 20.329 ( 15.740 0.000 4.619) 16.404 20.628 ( -15.006 0.000 -1.474) 15.079 20.628 ( -15.006 0.000 1.475) 15.079 23.372 ( 2.533 0.000 -1.386) 2.887 23.372 ( 2.533 0.000 1.386) 2.887 23.386 ( 1.116 0.000 -1.908) 2.211 23.386 ( 1.116 0.000 1.908) 2.211 25.068 ( -1.390 0.000 -0.479) 1.470 25.068 ( -1.390 0.000 0.479) 1.471 25.081 ( -2.709 0.000 -0.851) 2.839 25.081 ( -2.709 0.000 0.850) 2.839 ======================= Grid point 187 (67/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.000 1.577 -6.632) 6.817 1.835 ( 0.000 1.577 6.632) 6.817 1.864 ( 0.000 -1.056 -8.647) 8.711 1.864 ( 0.000 -1.056 8.647) 8.711 2.569 ( 0.000 1.542 -10.116) 10.233 2.569 ( 0.000 1.542 10.116) 10.233 2.626 ( 0.000 -4.172 -8.333) 9.319 2.626 ( 0.000 -4.172 8.333) 9.319 3.082 ( 0.000 6.108 -5.308) 8.092 3.082 ( 0.000 6.108 5.308) 8.092 3.173 ( 0.000 -2.141 -5.342) 5.755 3.173 ( 0.000 -2.141 5.342) 5.755 3.261 ( 0.000 -0.831 -0.806) 1.158 3.261 ( 0.000 -0.831 0.806) 1.158 3.273 ( 0.000 -1.346 -2.471) 2.814 3.273 ( 0.000 -1.346 2.471) 2.814 4.009 ( 0.000 6.411 -14.216) 15.594 4.009 ( 0.000 6.411 14.216) 15.594 4.152 ( 0.000 -7.204 -10.695) 12.895 4.152 ( 0.000 -7.204 10.695) 12.895 4.657 ( 0.000 8.244 -9.116) 12.291 4.657 ( 0.000 8.244 9.116) 12.291 4.854 ( 0.000 -11.248 -8.348) 14.008 4.854 ( 0.000 -11.248 8.348) 14.008 5.269 ( 0.000 3.753 -4.893) 6.166 5.269 ( 0.000 3.753 4.893) 6.166 5.284 ( 0.000 1.218 -5.047) 5.192 5.284 ( 0.000 1.218 5.047) 5.192 5.787 ( 0.000 2.643 -9.688) 10.042 5.787 ( 0.000 2.643 9.688) 10.042 5.855 ( 0.000 -3.553 -5.843) 6.839 5.855 ( 0.000 -3.553 5.844) 6.839 6.438 ( 0.000 2.307 -3.653) 4.320 6.438 ( 0.000 2.307 3.653) 4.320 6.479 ( 0.000 -1.431 -0.538) 1.528 6.479 ( 0.000 -1.431 0.538) 1.528 6.957 ( 0.000 1.548 -12.762) 12.855 6.957 ( 0.000 1.548 12.762) 12.855 7.016 ( 0.000 -4.189 -12.030) 12.738 7.016 ( 0.000 -4.189 12.030) 12.738 7.431 ( 0.000 5.857 -6.576) 8.806 7.431 ( 0.000 5.857 6.576) 8.806 7.516 ( 0.000 -0.821 -10.835) 10.866 7.516 ( 0.000 -0.821 10.835) 10.866 7.556 ( 0.000 -1.763 -2.322) 2.915 7.556 ( 0.000 -1.763 2.322) 2.915 7.560 ( 0.000 -0.707 -5.958) 6.000 7.560 ( 0.000 -0.707 5.958) 6.000 8.462 ( 0.000 1.022 -6.396) 6.477 8.462 ( 0.000 1.022 6.396) 6.477 8.502 ( 0.000 -2.564 -10.733) 11.035 8.502 ( 0.000 -2.564 10.733) 11.035 9.843 ( 0.000 5.201 -4.421) 6.827 9.843 ( 0.000 5.201 4.421) 6.827 9.935 ( 0.000 -3.461 -8.541) 9.215 9.935 ( 0.000 -3.461 8.541) 9.215 10.359 ( 0.000 5.948 -7.208) 9.346 10.359 ( 0.000 5.948 7.208) 9.346 10.503 ( 0.000 -7.331 -9.115) 11.698 10.503 ( 0.000 -7.331 9.115) 11.698 11.123 ( 0.000 2.187 -2.366) 3.222 11.123 ( 0.000 2.187 2.366) 3.222 11.194 ( 0.000 -4.991 -2.362) 5.521 11.194 ( 0.000 -4.991 2.362) 5.521 11.802 ( 0.000 8.429 -3.652) 9.186 11.802 ( 0.000 8.429 3.652) 9.186 11.938 ( 0.000 -4.794 -1.812) 5.125 11.938 ( 0.000 -4.794 1.812) 5.125 12.618 ( 0.000 2.836 -1.117) 3.048 12.618 ( 0.000 2.836 1.117) 3.048 12.686 ( 0.000 -3.457 -1.125) 3.635 12.686 ( 0.000 -3.457 1.125) 3.635 13.570 ( 0.000 4.786 -19.396) 19.978 13.570 ( 0.000 4.786 19.396) 19.978 13.682 ( 0.000 -5.896 -9.379) 11.078 13.682 ( 0.000 -5.896 9.379) 11.078 14.596 ( 0.000 10.151 -14.652) 17.825 14.596 ( 0.000 10.151 14.652) 17.825 14.793 ( 0.000 -8.429 -7.258) 11.123 14.793 ( 0.000 -8.429 7.258) 11.123 15.318 ( 0.000 4.452 -5.995) 7.467 15.318 ( 0.000 4.452 5.995) 7.467 15.425 ( 0.000 -5.515 -2.387) 6.010 15.425 ( 0.000 -5.515 2.387) 6.010 16.376 ( 0.000 0.609 -19.887) 19.896 16.376 ( 0.000 0.609 19.887) 19.896 16.400 ( 0.000 -1.489 -17.192) 17.256 16.400 ( 0.000 -1.489 17.192) 17.256 17.452 ( 0.000 11.478 -8.517) 14.293 17.452 ( 0.000 11.478 8.517) 14.293 17.692 ( 0.000 -11.095 -7.925) 13.635 17.692 ( 0.000 -11.095 7.925) 13.635 18.954 ( 0.000 7.886 -3.824) 8.764 18.954 ( 0.000 7.886 3.824) 8.764 19.111 ( 0.000 -6.879 -2.843) 7.444 19.111 ( 0.000 -6.879 2.843) 7.444 20.675 ( 0.000 2.210 -5.661) 6.077 20.675 ( 0.000 2.210 5.661) 6.077 20.720 ( 0.000 -1.917 -6.235) 6.523 20.720 ( 0.000 -1.917 6.235) 6.523 22.962 ( 0.000 2.097 -9.082) 9.321 22.962 ( 0.000 2.097 9.082) 9.321 23.008 ( 0.000 -2.249 -5.588) 6.024 23.008 ( 0.000 -2.249 5.588) 6.024 25.353 ( 0.000 1.426 -14.112) 14.183 25.353 ( 0.000 1.426 14.112) 14.183 25.382 ( 0.000 -1.293 -12.658) 12.724 25.382 ( 0.000 -1.293 12.658) 12.724 ======================= Grid point 189 (68/72) ======================= q-point: ( 0.09 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 4.987 -0.445 -7.658) 9.150 1.884 ( 4.987 -0.445 7.658) 9.150 1.946 ( 7.970 0.874 -6.562) 10.361 1.946 ( 7.970 0.874 6.562) 10.361 2.510 ( -4.358 2.445 -10.757) 11.861 2.510 ( -4.358 2.445 10.757) 11.861 2.641 ( -0.700 -5.660 -9.617) 11.181 2.641 ( -0.700 -5.660 9.617) 11.181 3.036 ( -4.464 6.112 -2.288) 7.906 3.036 ( -4.464 6.112 2.288) 7.906 3.113 ( -4.994 -1.414 -1.629) 5.440 3.113 ( -4.994 -1.414 1.629) 5.440 3.221 ( -1.470 -2.085 -4.769) 5.408 3.221 ( -1.470 -2.085 4.769) 5.408 3.331 ( 2.556 -0.584 -4.898) 5.555 3.331 ( 2.556 -0.584 4.898) 5.555 3.998 ( -1.182 4.411 -14.178) 14.895 3.998 ( -1.182 4.411 14.178) 14.895 4.095 ( -5.818 -3.536 -10.161) 12.231 4.095 ( -5.818 -3.536 10.161) 12.231 4.575 ( -5.253 2.185 -4.382) 7.181 4.575 ( -5.253 2.185 4.382) 7.181 4.925 ( 1.861 -5.319 -12.705) 13.899 4.925 ( 1.861 -5.319 12.705) 13.899 5.159 ( -4.856 2.195 -3.711) 6.494 5.159 ( -4.856 2.195 3.711) 6.494 5.326 ( -0.222 0.905 -5.873) 5.946 5.326 ( -0.222 0.905 5.873) 5.946 5.720 ( -2.410 0.707 -10.952) 11.236 5.720 ( -2.410 0.707 10.952) 11.236 5.942 ( 5.791 -0.891 -4.891) 7.632 5.942 ( 5.791 -0.891 4.891) 7.632 6.434 ( -0.067 1.861 -2.436) 3.066 6.434 ( -0.067 1.861 2.436) 3.066 6.473 ( -0.336 -1.602 -0.525) 1.719 6.473 ( -0.336 -1.602 0.525) 1.719 6.972 ( 2.487 0.013 -4.184) 4.867 6.972 ( 2.487 0.013 4.184) 4.867 7.061 ( 1.404 -1.673 -11.114) 11.326 7.061 ( 1.404 -1.673 11.114) 11.326 7.395 ( -1.021 1.173 -7.920) 8.071 7.395 ( -1.021 1.173 7.920) 8.071 7.533 ( 5.875 3.383 -3.006) 7.416 7.533 ( 5.875 3.383 3.006) 7.416 7.644 ( 9.013 -2.529 -5.707) 10.963 7.644 ( 9.013 -2.529 5.707) 10.963 7.742 ( 12.325 0.010 -9.544) 15.588 7.742 ( 12.325 0.010 9.544) 15.588 8.447 ( -0.901 2.910 -3.701) 4.794 8.447 ( -0.901 2.910 3.701) 4.794 8.526 ( 2.066 -4.324 -6.875) 8.380 8.526 ( 2.066 -4.324 6.875) 8.380 9.722 ( -9.112 2.505 -4.065) 10.287 9.722 ( -9.112 2.505 4.065) 10.287 9.992 ( 2.479 -0.769 -7.318) 7.765 9.992 ( 2.479 -0.769 7.318) 7.765 10.297 ( -4.727 3.669 -7.281) 9.425 10.297 ( -4.727 3.669 7.281) 9.425 10.529 ( 0.833 -5.156 -7.858) 9.436 10.529 ( 0.833 -5.156 7.858) 9.436 11.099 ( -2.604 2.809 -0.960) 3.949 11.099 ( -2.604 2.809 0.960) 3.949 11.181 ( -1.095 -5.060 -0.550) 5.206 11.181 ( -1.095 -5.060 0.550) 5.206 11.803 ( 0.036 6.891 -2.562) 7.352 11.803 ( 0.036 6.891 2.562) 7.352 11.934 ( -0.345 -3.831 -1.569) 4.154 11.934 ( -0.345 -3.831 1.569) 4.154 12.592 ( -1.925 2.761 -0.806) 3.461 12.592 ( -1.925 2.761 0.806) 3.461 12.702 ( 0.242 -3.282 -3.007) 4.458 12.702 ( 0.242 -3.282 3.007) 4.458 13.551 ( -2.679 2.154 -21.401) 21.676 13.551 ( -2.679 2.154 21.401) 21.676 13.661 ( -1.847 -2.515 -5.200) 6.065 13.661 ( -1.847 -2.515 5.200) 6.065 14.385 ( -15.644 2.277 -13.885) 21.041 14.385 ( -15.644 2.277 13.885) 21.041 14.852 ( 1.101 -1.762 -7.346) 7.634 14.852 ( 1.101 -1.762 7.346) 7.634 15.270 ( -4.353 3.131 -3.554) 6.433 15.270 ( -4.353 3.131 3.554) 6.433 15.418 ( -0.709 -3.462 -7.084) 7.917 15.418 ( -0.709 -3.462 7.084) 7.917 16.365 ( 2.161 3.865 -13.564) 14.269 16.365 ( 2.161 3.865 13.564) 14.269 16.508 ( 7.332 -4.424 -9.835) 13.040 16.508 ( 7.332 -4.424 9.835) 13.040 17.193 ( -15.623 1.887 -11.306) 19.377 17.193 ( -15.623 1.886 11.306) 19.377 17.891 ( 9.669 -1.666 -3.656) 10.471 17.891 ( 9.669 -1.666 3.656) 10.471 18.798 ( -12.575 2.508 -6.152) 14.222 18.798 ( -12.575 2.508 6.152) 14.222 19.227 ( 8.920 -1.838 -1.853) 9.294 19.227 ( 8.920 -1.838 1.853) 9.294 20.245 ( -25.690 0.213 -5.369) 26.246 20.245 ( -25.690 0.213 5.369) 26.246 21.011 ( 11.594 0.010 -6.213) 13.154 21.011 ( 11.594 0.010 6.213) 13.154 22.992 ( 3.016 1.639 -9.443) 10.047 22.992 ( 3.016 1.639 9.443) 10.047 23.044 ( 3.502 -1.789 -4.221) 5.769 23.044 ( 3.502 -1.789 4.221) 5.769 25.342 ( -1.261 1.558 -11.499) 11.672 25.342 ( -1.261 1.558 11.499) 11.672 25.374 ( -1.031 -1.434 -10.247) 10.398 25.374 ( -1.031 -1.434 10.247) 10.398 ======================= Grid point 191 (69/72) ======================= q-point: ( 0.18 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 6.538 -1.399 -6.257) 9.157 2.006 ( 6.538 -1.399 6.257) 9.157 2.144 ( 11.399 2.434 -4.023) 12.330 2.144 ( 11.399 2.434 4.023) 12.330 2.418 ( -4.824 3.673 -11.758) 13.230 2.418 ( -4.824 3.673 11.758) 13.230 2.557 ( -8.275 -7.640 -12.176) 16.586 2.557 ( -8.275 -7.640 12.176) 16.586 2.923 ( -6.861 5.043 -2.309) 8.823 2.923 ( -6.861 5.043 2.309) 8.823 3.013 ( -4.861 -1.636 -4.737) 6.982 3.013 ( -4.861 -1.636 4.737) 6.982 3.208 ( 0.268 -2.257 -5.451) 5.906 3.208 ( 0.268 -2.257 5.451) 5.906 3.370 ( 1.913 0.520 -2.319) 3.051 3.370 ( 1.913 0.520 2.319) 3.051 3.912 ( -9.578 2.473 -6.272) 11.713 3.912 ( -9.578 2.473 6.272) 11.713 3.986 ( -3.090 0.557 -12.363) 12.756 3.986 ( -3.090 0.557 12.363) 12.756 4.497 ( -2.837 -1.152 -4.812) 5.703 4.497 ( -2.837 -1.152 4.812) 5.703 4.829 ( -9.153 -1.522 -13.419) 16.314 4.829 ( -9.153 -1.522 13.419) 16.314 5.113 ( -2.555 1.366 -5.851) 6.530 5.113 ( -2.555 1.366 5.851) 6.530 5.283 ( -3.670 -0.768 -5.600) 6.739 5.283 ( -3.670 -0.768 5.600) 6.739 5.764 ( 7.112 0.048 -11.623) 13.626 5.764 ( 7.112 0.048 11.623) 13.626 6.067 ( 6.926 0.157 -3.636) 7.824 6.067 ( 6.926 0.157 3.636) 7.824 6.435 ( -0.509 0.968 -4.495) 4.626 6.435 ( -0.509 0.968 4.495) 4.626 6.484 ( 2.588 -1.114 -0.816) 2.933 6.484 ( 2.588 -1.114 0.816) 2.933 7.037 ( 3.927 0.205 -2.003) 4.413 7.037 ( 3.927 0.205 2.003) 4.413 7.075 ( 1.740 -0.932 -7.837) 8.082 7.075 ( 1.740 -0.932 7.837) 8.082 7.394 ( 1.015 -0.613 -9.109) 9.186 7.394 ( 1.015 -0.613 9.109) 9.186 7.684 ( 4.566 6.020 -0.772) 7.595 7.684 ( 4.566 6.020 0.772) 7.595 7.880 ( 15.645 -4.889 -8.439) 18.436 7.880 ( 15.645 -4.889 8.439) 18.436 8.002 ( 13.866 -0.303 -12.769) 18.853 8.002 ( 13.866 -0.303 12.769) 18.853 8.465 ( 4.466 5.662 -2.946) 7.790 8.465 ( 4.466 5.662 2.946) 7.790 8.586 ( 4.544 -5.707 -4.873) 8.773 8.586 ( 4.544 -5.707 4.873) 8.773 9.533 ( -9.901 1.513 -2.839) 10.411 9.533 ( -9.901 1.513 2.839) 10.411 9.993 ( -2.636 -0.650 -5.632) 6.252 9.993 ( -2.636 -0.650 5.632) 6.252 10.219 ( -2.796 3.824 -6.503) 8.045 10.219 ( -2.796 3.824 6.503) 8.045 10.501 ( -3.751 -4.517 -7.380) 9.430 10.501 ( -3.751 -4.517 7.380) 9.430 11.009 ( -6.844 2.225 -4.672) 8.580 11.009 ( -6.844 2.225 4.672) 8.580 11.165 ( -0.523 -3.602 -4.505) 5.791 11.165 ( -0.523 -3.602 4.505) 5.791 11.806 ( 0.370 4.204 -2.540) 4.926 11.806 ( 0.370 4.204 2.540) 4.926 11.916 ( -2.006 -2.221 -3.518) 4.619 11.916 ( -2.006 -2.221 3.518) 4.619 12.540 ( -4.093 3.559 -1.801) 5.715 12.540 ( -4.093 3.559 1.801) 5.715 12.656 ( -5.603 -3.622 -5.436) 8.606 12.656 ( -5.603 -3.622 5.436) 8.606 13.447 ( -7.440 -0.722 -20.829) 22.129 13.447 ( -7.440 -0.722 20.829) 22.129 13.606 ( -4.691 0.281 -6.464) 7.992 13.606 ( -4.691 0.281 6.464) 7.992 14.125 ( -8.859 0.457 -13.750) 16.363 14.125 ( -8.859 0.457 13.750) 16.363 14.798 ( -5.940 -0.442 -8.518) 10.394 14.798 ( -5.940 -0.442 8.518) 10.394 15.187 ( -3.532 3.912 -7.344) 9.039 15.187 ( -3.532 3.912 7.344) 9.039 15.398 ( -1.245 -4.186 -9.023) 10.024 15.398 ( -1.245 -4.186 9.023) 10.024 16.459 ( 7.065 6.996 -7.642) 12.540 16.459 ( 7.065 6.996 7.642) 12.540 16.653 ( 7.277 -5.668 -5.410) 10.694 16.653 ( 7.277 -5.668 5.410) 10.694 16.970 ( -6.649 -1.628 -10.559) 12.584 16.970 ( -6.649 -1.628 10.559) 12.584 17.969 ( -1.380 0.741 -2.254) 2.745 17.969 ( -1.380 0.742 2.254) 2.745 18.513 ( -16.308 0.694 -7.739) 18.065 18.513 ( -16.308 0.694 7.739) 18.065 19.415 ( 7.777 -0.250 -4.524) 9.001 19.415 ( 7.777 -0.250 4.524) 9.001 19.744 ( -23.006 -0.126 -3.782) 23.315 19.744 ( -23.006 -0.126 3.782) 23.315 21.140 ( 1.700 0.025 -5.737) 5.984 21.140 ( 1.700 0.025 5.737) 5.984 23.072 ( 5.113 0.784 -8.255) 9.742 23.072 ( 5.113 0.784 8.255) 9.742 23.133 ( 5.423 -0.900 -3.190) 6.355 23.133 ( 5.423 -0.900 3.190) 6.355 25.301 ( -3.012 1.661 -7.079) 7.871 25.301 ( -3.012 1.661 7.079) 7.871 25.336 ( -3.040 -1.571 -6.339) 7.203 25.336 ( -3.040 -1.571 6.339) 7.203 ======================= Grid point 193 (70/72) ======================= q-point: ( 0.27 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -4.042 2.699 -6.497) 8.114 2.058 ( -4.042 2.699 6.497) 8.114 2.253 ( -7.071 -3.287 -6.250) 9.993 2.253 ( -7.071 -3.287 6.250) 9.993 2.369 ( -5.022 -0.636 -8.106) 9.557 2.369 ( -5.022 -0.636 8.106) 9.557 2.428 ( 8.767 -0.184 -1.473) 8.892 2.428 ( 8.767 -0.184 1.473) 8.892 2.806 ( -4.208 2.083 -1.310) 4.874 2.806 ( -4.208 2.083 1.310) 4.874 2.933 ( -3.187 -1.046 -8.594) 9.226 2.933 ( -3.187 -1.046 8.594) 9.226 3.216 ( -0.499 -2.109 -8.810) 9.073 3.216 ( -0.499 -2.109 8.810) 9.073 3.421 ( 3.536 2.365 -2.380) 4.874 3.421 ( 3.536 2.365 2.380) 4.874 3.711 ( -9.952 6.066 -5.909) 13.067 3.711 ( -9.952 6.066 5.909) 13.067 3.923 ( -3.326 -6.193 -7.805) 10.504 3.923 ( -3.326 -6.193 7.805) 10.504 4.455 ( -2.003 0.687 -4.678) 5.135 4.455 ( -2.003 0.687 4.678) 5.135 4.649 ( -8.905 -0.694 -11.638) 14.671 4.649 ( -8.905 -0.694 11.638) 14.671 5.045 ( -3.246 1.585 -4.659) 5.895 5.045 ( -3.246 1.585 4.659) 5.895 5.198 ( -4.874 -1.428 -4.327) 6.672 5.198 ( -4.874 -1.428 4.327) 6.672 5.937 ( 8.831 -0.103 -11.798) 14.737 5.937 ( 8.831 -0.103 11.798) 14.737 6.170 ( 2.233 -0.019 -2.233) 3.158 6.170 ( 2.233 -0.019 2.233) 3.158 6.443 ( 3.366 0.673 -9.203) 9.823 6.443 ( 3.366 0.673 9.203) 9.823 6.596 ( 8.888 -0.438 -2.268) 9.184 6.596 ( 8.888 -0.438 2.268) 9.184 7.122 ( 4.196 0.421 -1.620) 4.517 7.122 ( 4.196 0.421 1.620) 4.517 7.149 ( 5.787 -1.254 -5.874) 8.341 7.149 ( 5.787 -1.254 5.874) 8.341 7.433 ( 2.880 -0.023 -8.329) 8.813 7.433 ( 2.880 -0.023 8.329) 8.813 7.672 ( -4.319 0.909 -6.832) 8.133 7.672 ( -4.319 0.909 6.832) 8.133 8.103 ( 6.848 7.048 -8.575) 13.042 8.103 ( 6.848 7.048 8.575) 13.042 8.276 ( 11.711 -8.997 -8.701) 17.141 8.276 ( 11.711 -8.997 8.701) 17.141 8.674 ( 16.245 2.929 -5.196) 17.306 8.674 ( 16.245 2.929 5.196) 17.306 8.716 ( 9.334 -1.187 -4.254) 10.326 8.716 ( 9.333 -1.187 4.254) 10.326 9.363 ( -6.638 0.146 -4.683) 8.125 9.363 ( -6.638 0.146 4.683) 8.125 9.897 ( -6.762 -1.479 -5.107) 8.602 9.897 ( -6.762 -1.479 5.107) 8.602 10.187 ( -1.062 5.028 -6.588) 8.355 10.187 ( -1.062 5.028 6.588) 8.355 10.395 ( -6.846 -3.117 -6.942) 10.236 10.395 ( -6.846 -3.117 6.942) 10.236 10.858 ( -7.496 0.620 -6.374) 9.860 10.858 ( -7.496 0.620 6.374) 9.860 11.152 ( -0.718 -2.523 -7.130) 7.597 11.152 ( -0.718 -2.523 7.130) 7.597 11.799 ( -2.581 2.993 -4.529) 6.011 11.799 ( -2.581 2.993 4.529) 6.011 11.839 ( -5.805 -1.037 -6.280) 8.615 11.839 ( -5.805 -1.037 6.280) 8.615 12.418 ( -8.393 2.525 -4.260) 9.745 12.418 ( -8.393 2.525 4.260) 9.745 12.481 ( -11.816 -2.608 -8.960) 15.056 12.481 ( -11.816 -2.608 8.960) 15.056 13.310 ( -5.642 -0.418 -14.740) 15.789 13.310 ( -5.642 -0.418 14.740) 15.789 13.499 ( -4.646 -1.435 -4.288) 6.483 13.499 ( -4.646 -1.435 4.288) 6.483 14.052 ( -0.346 2.042 -10.635) 10.835 14.052 ( -0.346 2.042 10.635) 10.835 14.657 ( -8.163 -0.499 -10.489) 13.300 14.657 ( -8.163 -0.499 10.489) 13.300 15.147 ( -0.270 5.225 -7.587) 9.216 15.147 ( -0.270 5.225 7.587) 9.216 15.377 ( -0.724 -6.748 -9.091) 11.345 15.377 ( -0.724 -6.748 9.091) 11.345 16.618 ( 8.740 8.925 -0.693) 12.511 16.618 ( 8.740 8.925 0.693) 12.511 16.779 ( 5.750 -3.729 -0.464) 6.869 16.779 ( 5.750 -3.729 0.464) 6.869 16.941 ( 3.352 -4.734 -7.646) 9.597 16.941 ( 3.352 -4.734 7.646) 9.597 17.867 ( -8.267 0.349 -2.904) 8.769 17.867 ( -8.267 0.349 2.904) 8.769 18.195 ( -15.821 0.946 -8.537) 18.003 18.195 ( -15.821 0.946 8.537) 18.003 19.139 ( -26.270 -0.157 -6.259) 27.006 19.139 ( -26.270 -0.157 6.259) 27.006 19.747 ( 13.258 -0.101 -8.034) 15.503 19.747 ( 13.258 -0.101 8.034) 15.503 21.086 ( -6.800 0.005 -4.263) 8.026 21.086 ( -6.800 0.005 4.263) 8.026 23.182 ( 6.050 0.242 -4.813) 7.735 23.182 ( 6.050 0.242 4.813) 7.735 23.241 ( 5.445 -0.287 -2.845) 6.150 23.241 ( 5.445 -0.287 2.845) 6.150 25.226 ( -4.597 1.405 -3.477) 5.933 25.226 ( -4.597 1.405 3.477) 5.933 25.256 ( -5.018 -1.366 -3.293) 6.156 25.256 ( -5.018 -1.366 3.293) 6.156 ======================= Grid point 195 (71/72) ======================= q-point: ( 0.36 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -11.410 3.668 -9.737) 15.442 1.878 ( -11.410 3.668 9.737) 15.442 1.980 ( -15.591 -3.925 -9.369) 18.608 1.980 ( -15.591 -3.925 9.369) 18.608 2.407 ( 4.321 0.218 -1.537) 4.592 2.407 ( 4.321 0.218 1.537) 4.592 2.585 ( 4.186 -1.411 -3.100) 5.397 2.585 ( 4.186 -1.411 3.100) 5.397 2.786 ( 2.667 1.189 -3.312) 4.415 2.786 ( 2.667 1.189 3.312) 4.415 2.913 ( 2.003 0.026 -8.313) 8.550 2.913 ( 2.003 0.026 8.313) 8.551 3.156 ( -5.551 -1.196 -11.857) 13.147 3.156 ( -5.551 -1.196 11.857) 13.147 3.458 ( -4.796 5.258 -12.539) 14.418 3.458 ( -4.796 5.258 12.539) 14.418 3.592 ( 2.292 0.673 -6.483) 6.910 3.592 ( 2.292 0.673 6.483) 6.910 3.894 ( 0.775 -7.448 -1.419) 7.621 3.894 ( 0.775 -7.448 1.419) 7.621 4.384 ( -5.960 7.218 -5.214) 10.714 4.384 ( -5.960 7.218 5.214) 10.714 4.500 ( -6.151 -3.900 -8.620) 11.285 4.500 ( -6.151 -3.900 8.620) 11.285 5.015 ( 0.094 1.095 -5.266) 5.379 5.015 ( 0.094 1.095 5.266) 5.379 5.109 ( -3.852 -1.318 -3.933) 5.661 5.109 ( -3.852 -1.318 3.933) 5.661 6.063 ( 4.115 0.034 -9.789) 10.619 6.063 ( 4.115 0.034 9.789) 10.619 6.160 ( -1.736 -0.024 -0.284) 1.759 6.160 ( -1.736 -0.024 0.284) 1.759 6.572 ( 8.768 0.346 -12.313) 15.120 6.572 ( 8.768 0.346 12.313) 15.120 6.808 ( 11.911 -0.070 -1.208) 11.972 6.808 ( 11.911 -0.070 1.208) 11.972 7.147 ( -3.001 1.069 -3.833) 4.984 7.147 ( -3.001 1.069 3.833) 4.984 7.252 ( 2.060 -3.881 -7.658) 8.829 7.252 ( 2.060 -3.881 7.658) 8.829 7.501 ( 5.184 6.031 -5.194) 9.499 7.501 ( 5.184 6.031 5.194) 9.499 7.640 ( 3.937 -5.510 -8.989) 11.255 7.640 ( 3.937 -5.510 8.989) 11.255 8.181 ( 1.364 9.563 -10.319) 14.135 8.181 ( 1.364 9.563 10.319) 14.135 8.397 ( 1.349 -9.206 -8.626) 12.688 8.397 ( 1.349 -9.206 8.626) 12.688 8.834 ( 3.557 2.440 -7.169) 8.367 8.834 ( 3.557 2.440 7.169) 8.367 9.027 ( 13.794 -1.234 -7.184) 15.602 9.027 ( 13.794 -1.234 7.184) 15.602 9.345 ( 6.168 0.732 -9.316) 11.197 9.345 ( 6.168 0.732 9.316) 11.197 9.769 ( -4.676 -2.819 -5.554) 7.789 9.769 ( -4.676 -2.819 5.554) 7.789 10.136 ( -5.647 4.244 -10.410) 12.580 10.136 ( -5.647 4.244 10.410) 12.580 10.255 ( -7.019 -1.206 -6.809) 9.853 10.255 ( -7.019 -1.206 6.809) 9.853 10.792 ( 2.851 0.949 -3.809) 4.851 10.792 ( 2.851 0.949 3.809) 4.851 11.155 ( 1.626 -3.011 -6.871) 7.676 11.155 ( 1.626 -3.011 6.871) 7.676 11.640 ( -11.924 0.510 -7.354) 14.019 11.640 ( -11.924 0.510 7.354) 14.019 11.706 ( -10.674 1.249 -6.252) 12.433 11.706 ( -10.674 1.249 6.252) 12.433 12.241 ( -9.013 0.946 -5.122) 10.410 12.241 ( -9.013 0.946 5.122) 10.410 12.261 ( -8.965 -0.623 -9.627) 13.170 12.261 ( -8.965 -0.623 9.627) 13.170 13.257 ( 0.333 -0.516 -7.076) 7.102 13.257 ( 0.333 -0.516 7.076) 7.102 13.445 ( -1.824 -0.694 -2.479) 3.155 13.445 ( -1.824 -0.694 2.479) 3.155 14.070 ( 2.146 1.433 -8.455) 8.840 14.070 ( 2.146 1.433 8.455) 8.840 14.487 ( -9.363 -0.706 -8.827) 12.887 14.487 ( -9.363 -0.706 8.827) 12.887 15.183 ( 3.850 5.205 -9.136) 11.198 15.183 ( 3.850 5.205 9.136) 11.198 15.370 ( -0.287 -6.591 -10.538) 12.433 15.370 ( -0.287 -6.591 10.538) 12.433 16.770 ( 6.592 7.153 -5.290) 11.073 16.770 ( 6.592 7.153 5.290) 11.073 16.876 ( 4.015 -2.509 -2.269) 5.250 16.876 ( 4.015 -2.509 2.269) 5.250 17.079 ( 10.115 -3.667 -5.142) 11.925 17.079 ( 10.115 -3.667 5.142) 11.925 17.677 ( -10.844 -1.175 -1.030) 10.956 17.677 ( -10.844 -1.175 1.030) 10.956 17.943 ( -8.796 1.816 -8.902) 12.646 17.943 ( -8.796 1.816 8.903) 12.646 18.635 ( -25.081 -0.284 -5.823) 25.749 18.635 ( -25.081 -0.284 5.823) 25.749 20.027 ( 15.253 -0.011 -7.204) 16.869 20.027 ( 15.253 -0.011 7.204) 16.869 20.896 ( -12.312 0.007 -1.753) 12.436 20.896 ( -12.312 0.007 1.753) 12.436 23.295 ( 5.247 0.047 -1.923) 5.589 23.295 ( 5.247 0.047 1.923) 5.589 23.334 ( 3.998 -0.043 -2.259) 4.592 23.334 ( 3.998 -0.043 2.259) 4.592 25.134 ( -4.464 0.839 -1.632) 4.826 25.134 ( -4.464 0.839 1.632) 4.826 25.154 ( -5.086 -0.839 -1.401) 5.342 25.154 ( -5.087 -0.839 1.401) 5.342 ======================= Grid point 197 (72/72) ======================= q-point: ( 0.45 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -4.551 1.360 -3.951) 6.179 1.707 ( -4.551 1.360 3.951) 6.179 1.739 ( -7.901 -1.009 -4.530) 9.163 1.739 ( -7.901 -1.009 4.530) 9.163 2.492 ( 4.454 0.477 -3.631) 5.766 2.492 ( 4.454 0.477 3.631) 5.766 2.573 ( -3.540 -0.036 -4.292) 5.564 2.573 ( -3.540 -0.036 4.292) 5.564 2.879 ( 5.636 -1.957 -5.043) 7.812 2.879 ( 5.636 -1.957 5.043) 7.812 2.979 ( -1.892 -0.694 -3.823) 4.321 2.979 ( -1.891 -0.694 3.823) 4.321 3.086 ( 4.951 0.793 -11.156) 12.231 3.086 ( 4.951 0.793 11.156) 12.231 3.276 ( -11.117 1.125 -9.990) 14.988 3.276 ( -11.117 1.125 9.990) 14.988 3.738 ( 9.624 1.310 -1.782) 9.875 3.738 ( 9.624 1.310 1.782) 9.875 3.890 ( -3.995 -2.997 -1.639) 5.256 3.890 ( -3.995 -2.997 1.639) 5.256 4.299 ( 0.108 4.186 -5.705) 7.077 4.299 ( 0.108 4.186 5.705) 7.077 4.383 ( -6.334 -1.836 -4.095) 7.762 4.383 ( -6.334 -1.836 4.095) 7.762 5.032 ( 1.227 0.266 -3.321) 3.551 5.032 ( 1.227 0.266 3.321) 3.551 5.058 ( -1.627 -0.722 -2.734) 3.262 5.058 ( -1.627 -0.722 2.734) 3.262 6.111 ( 1.358 0.241 -5.796) 5.957 6.111 ( 1.358 0.241 5.796) 5.957 6.132 ( -1.123 0.043 -2.571) 2.806 6.132 ( -1.123 0.043 2.571) 2.806 6.758 ( 10.209 -0.068 -11.091) 15.075 6.758 ( 10.209 -0.068 11.091) 15.075 6.940 ( -5.323 -0.265 -3.208) 6.221 6.940 ( -5.323 -0.265 3.209) 6.221 7.085 ( 4.785 0.333 -4.669) 6.694 7.085 ( 4.785 0.333 4.669) 6.694 7.210 ( -5.170 -1.030 -6.397) 8.289 7.210 ( -5.170 -1.030 6.397) 8.289 7.661 ( 8.994 3.322 -6.722) 11.709 7.661 ( 8.994 3.322 6.722) 11.709 7.744 ( 2.406 -4.354 -5.499) 7.415 7.744 ( 2.406 -4.354 5.499) 7.415 8.196 ( 2.799 4.984 -5.760) 8.115 8.196 ( 2.799 4.984 5.760) 8.115 8.325 ( -7.926 -3.352 -8.684) 12.225 8.325 ( -7.926 -3.352 8.684) 12.225 8.925 ( 7.591 -0.311 -8.757) 11.593 8.925 ( 7.591 -0.311 8.757) 11.593 9.087 ( -6.312 -0.881 -8.794) 10.861 9.087 ( -6.312 -0.881 8.794) 10.861 9.555 ( 13.108 2.847 -9.203) 16.268 9.555 ( 13.108 2.847 9.203) 16.268 9.743 ( -2.851 -1.721 -3.814) 5.063 9.743 ( -2.851 -1.721 3.814) 5.063 10.017 ( -1.779 2.022 -10.500) 10.840 10.017 ( -1.779 2.022 10.500) 10.840 10.114 ( -7.846 -2.160 -1.971) 8.374 10.114 ( -7.846 -2.160 1.971) 8.374 10.998 ( 17.142 2.083 -3.081) 17.541 10.998 ( 17.142 2.083 3.081) 17.541 11.234 ( 6.568 -3.132 -4.666) 8.644 11.234 ( 6.568 -3.132 4.666) 8.644 11.369 ( -17.412 2.738 -5.761) 18.543 11.369 ( -17.412 2.738 5.761) 18.543 11.432 ( -13.693 -2.873 -6.406) 15.388 11.432 ( -13.693 -2.873 6.406) 15.388 12.127 ( -2.310 1.704 -2.033) 3.517 12.127 ( -2.310 1.704 2.033) 3.517 12.142 ( -3.560 0.593 -3.576) 5.081 12.142 ( -3.560 0.593 3.576) 5.081 13.309 ( 4.344 -0.489 -1.705) 4.692 13.309 ( 4.344 -0.489 1.705) 4.692 13.394 ( -3.784 -0.237 -0.803) 3.875 13.394 ( -3.784 -0.237 0.803) 3.875 14.149 ( 6.260 0.134 -6.763) 9.216 14.149 ( 6.260 0.134 6.763) 9.216 14.303 ( -9.264 -0.621 -6.601) 11.391 14.303 ( -9.264 -0.621 6.601) 11.391 15.275 ( 4.915 2.504 -11.407) 12.671 15.275 ( 4.915 2.504 11.407) 12.671 15.349 ( -2.361 -2.509 -11.997) 12.482 15.349 ( -2.361 -2.509 11.997) 12.482 16.873 ( 4.085 2.475 -4.410) 6.501 16.873 ( 4.085 2.475 4.410) 6.501 16.917 ( -0.099 -1.583 -3.385) 3.738 16.917 ( -0.099 -1.583 3.385) 3.738 17.284 ( 9.989 -0.310 -4.360) 10.904 17.284 ( 9.989 -0.310 4.360) 10.904 17.470 ( -10.072 -0.653 -3.250) 10.604 17.470 ( -10.072 -0.653 3.250) 10.604 17.915 ( 7.022 0.576 -5.020) 8.651 17.915 ( 7.022 0.576 5.020) 8.651 18.192 ( -19.958 -0.207 -2.818) 20.157 18.192 ( -19.958 -0.207 2.818) 20.157 20.329 ( 15.749 -0.004 -4.634) 16.417 20.329 ( 15.749 -0.004 4.634) 16.417 20.628 ( -15.013 0.009 -1.558) 15.093 20.628 ( -15.013 0.009 1.558) 15.093 23.373 ( 2.526 0.012 -1.693) 3.041 23.373 ( 2.526 0.012 1.693) 3.041 23.386 ( 1.126 0.006 -1.877) 2.189 23.386 ( 1.126 0.006 1.877) 2.189 25.071 ( -1.700 0.250 -1.190) 2.090 25.071 ( -1.700 0.250 1.190) 2.090 25.078 ( -2.403 -0.263 -0.626) 2.497 25.078 ( -2.403 -0.263 0.626) 2.497 =================== 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 3/35640 10.0 682.834 406.449 967.280 0.000 0.000 -0.000 3/35640 20.0 160.046 87.736 211.225 0.000 0.000 -0.000 3/35640 30.0 65.668 33.305 86.282 0.000 0.000 -0.000 3/35640 40.0 36.640 17.888 48.510 0.000 0.000 -0.000 3/35640 50.0 24.306 11.602 32.402 0.000 0.000 -0.000 3/35640 60.0 17.883 8.406 23.939 0.000 0.000 -0.000 3/35640 70.0 14.056 6.531 18.845 0.000 0.000 -0.000 3/35640 80.0 11.552 5.318 15.482 0.000 0.000 -0.000 3/35640 90.0 9.799 4.477 13.110 0.000 0.000 -0.000 3/35640 100.0 8.509 3.862 11.356 0.000 0.000 -0.000 3/35640 110.0 7.522 3.396 10.008 0.000 0.000 -0.000 3/35640 120.0 6.744 3.030 8.944 0.000 0.000 -0.000 3/35640 130.0 6.116 2.736 8.083 0.000 0.000 -0.000 3/35640 140.0 5.599 2.495 7.374 0.000 0.000 -0.000 3/35640 150.0 5.166 2.293 6.779 0.000 0.000 -0.000 3/35640 160.0 4.798 2.122 6.275 0.000 0.000 -0.000 3/35640 170.0 4.481 1.976 5.841 0.000 0.000 -0.000 3/35640 180.0 4.207 1.849 5.465 0.000 0.000 -0.000 3/35640 190.0 3.966 1.737 5.135 0.000 0.000 -0.000 3/35640 200.0 3.752 1.639 4.843 0.000 0.000 -0.000 3/35640 210.0 3.562 1.552 4.584 0.000 0.000 -0.000 3/35640 220.0 3.392 1.473 4.352 0.000 0.000 -0.000 3/35640 230.0 3.238 1.403 4.143 0.000 0.000 -0.000 3/35640 240.0 3.098 1.339 3.953 0.000 0.000 -0.000 3/35640 250.0 2.971 1.280 3.781 0.000 0.000 -0.000 3/35640 260.0 2.854 1.227 3.624 0.000 0.000 -0.000 3/35640 270.0 2.747 1.178 3.479 0.000 0.000 -0.000 3/35640 280.0 2.647 1.133 3.346 0.000 0.000 -0.000 3/35640 290.0 2.555 1.091 3.223 0.000 0.000 -0.000 3/35640 300.0 2.470 1.053 3.109 0.000 0.000 -0.000 3/35640 310.0 2.390 1.017 3.003 0.000 0.000 -0.000 3/35640 320.0 2.316 0.983 2.904 0.000 0.000 -0.000 3/35640 330.0 2.246 0.952 2.812 0.000 0.000 -0.000 3/35640 340.0 2.180 0.923 2.725 0.000 0.000 -0.000 3/35640 350.0 2.118 0.895 2.644 0.000 0.000 -0.000 3/35640 360.0 2.060 0.869 2.568 0.000 0.000 -0.000 3/35640 370.0 2.005 0.845 2.496 0.000 0.000 -0.000 3/35640 380.0 1.953 0.822 2.428 0.000 0.000 -0.000 3/35640 390.0 1.903 0.800 2.363 0.000 0.000 -0.000 3/35640 400.0 1.856 0.779 2.302 0.000 0.000 -0.000 3/35640 410.0 1.812 0.759 2.245 0.000 0.000 -0.000 3/35640 420.0 1.769 0.741 2.190 0.000 0.000 -0.000 3/35640 430.0 1.729 0.723 2.137 0.000 0.000 -0.000 3/35640 440.0 1.690 0.706 2.088 0.000 0.000 -0.000 3/35640 450.0 1.653 0.690 2.040 0.000 0.000 -0.000 3/35640 460.0 1.617 0.675 1.995 0.000 0.000 -0.000 3/35640 470.0 1.584 0.660 1.951 0.000 0.000 -0.000 3/35640 480.0 1.551 0.646 1.910 0.000 0.000 -0.000 3/35640 490.0 1.520 0.632 1.870 0.000 0.000 -0.000 3/35640 500.0 1.490 0.620 1.832 0.000 0.000 -0.000 3/35640 510.0 1.461 0.607 1.795 0.000 0.000 -0.000 3/35640 520.0 1.433 0.595 1.760 0.000 0.000 -0.000 3/35640 530.0 1.407 0.584 1.727 0.000 0.000 -0.000 3/35640 540.0 1.381 0.573 1.694 0.000 0.000 -0.000 3/35640 550.0 1.356 0.562 1.663 0.000 0.000 -0.000 3/35640 560.0 1.333 0.552 1.633 0.000 0.000 -0.000 3/35640 570.0 1.309 0.542 1.604 0.000 0.000 -0.000 3/35640 580.0 1.287 0.533 1.576 0.000 0.000 -0.000 3/35640 590.0 1.266 0.523 1.549 0.000 0.000 -0.000 3/35640 600.0 1.245 0.515 1.523 0.000 0.000 -0.000 3/35640 610.0 1.225 0.506 1.497 0.000 0.000 -0.000 3/35640 620.0 1.205 0.498 1.473 0.000 0.000 -0.000 3/35640 630.0 1.186 0.490 1.449 0.000 0.000 -0.000 3/35640 640.0 1.168 0.482 1.427 0.000 0.000 -0.000 3/35640 650.0 1.150 0.475 1.404 0.000 0.000 -0.000 3/35640 660.0 1.133 0.467 1.383 0.000 0.000 -0.000 3/35640 670.0 1.116 0.460 1.362 0.000 0.000 -0.000 3/35640 680.0 1.100 0.453 1.342 0.000 0.000 -0.000 3/35640 690.0 1.084 0.447 1.322 0.000 0.000 -0.000 3/35640 700.0 1.069 0.440 1.303 0.000 0.000 -0.000 3/35640 710.0 1.054 0.434 1.285 0.000 0.000 -0.000 3/35640 720.0 1.040 0.428 1.267 0.000 0.000 -0.000 3/35640 730.0 1.026 0.422 1.249 0.000 0.000 -0.000 3/35640 740.0 1.012 0.416 1.232 0.000 0.000 -0.000 3/35640 750.0 0.999 0.411 1.216 0.000 0.000 -0.000 3/35640 760.0 0.986 0.405 1.200 0.000 0.000 -0.000 3/35640 770.0 0.973 0.400 1.184 0.000 0.000 -0.000 3/35640 780.0 0.961 0.395 1.169 0.000 0.000 -0.000 3/35640 790.0 0.949 0.390 1.154 0.000 0.000 -0.000 3/35640 800.0 0.937 0.385 1.139 0.000 0.000 -0.000 3/35640 810.0 0.925 0.380 1.125 0.000 0.000 -0.000 3/35640 820.0 0.914 0.375 1.111 0.000 0.000 -0.000 3/35640 830.0 0.903 0.371 1.098 0.000 0.000 -0.000 3/35640 840.0 0.893 0.366 1.085 0.000 0.000 -0.000 3/35640 850.0 0.882 0.362 1.072 0.000 0.000 -0.000 3/35640 860.0 0.872 0.358 1.059 0.000 0.000 -0.000 3/35640 870.0 0.862 0.354 1.047 0.000 0.000 -0.000 3/35640 880.0 0.852 0.350 1.035 0.000 0.000 -0.000 3/35640 890.0 0.843 0.346 1.024 0.000 0.000 -0.000 3/35640 900.0 0.834 0.342 1.012 0.000 0.000 -0.000 3/35640 910.0 0.825 0.338 1.001 0.000 0.000 -0.000 3/35640 920.0 0.816 0.334 0.990 0.000 0.000 -0.000 3/35640 930.0 0.807 0.331 0.979 0.000 0.000 -0.000 3/35640 940.0 0.798 0.327 0.969 0.000 0.000 -0.000 3/35640 950.0 0.790 0.324 0.959 0.000 0.000 -0.000 3/35640 960.0 0.782 0.320 0.949 0.000 0.000 -0.000 3/35640 970.0 0.774 0.317 0.939 0.000 0.000 -0.000 3/35640 980.0 0.766 0.314 0.929 0.000 0.000 -0.000 3/35640 990.0 0.758 0.311 0.920 0.000 0.000 -0.000 3/35640 1000.0 0.751 0.307 0.911 0.000 0.000 -0.000 3/35640 Thermal conductivity related properties were written into "kappa-m11310.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:57:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|