----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:46:33]------------------------- 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: [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.995508090000000 -6.911027635000000 0.000000000000000 b 1.995508090000000 6.911027635000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.758348570000001 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 2 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 *3 S 0.42400142622799 0.57599857377201 0.25000000000000 32.065 4 S 0.57599857377201 0.42400142622799 0.75000000000000 32.065 *5 S 0.73997595119126 0.26002404880874 0.38827343521390 32.065 6 S 0.26002404880874 0.73997595119126 0.88827343521390 32.065 7 S 0.26002404880874 0.73997595119126 0.61172656478610 32.065 8 S 0.73997595119126 0.26002404880874 0.11172656478610 32.065 *9 Cu 0.16472436783662 0.83527563216338 0.75000000000000 63.546 10 Cu 0.83527563216338 0.16472436783662 0.25000000000000 63.546 *11 Rb 0.10608927194391 0.89391072805608 0.25000000000000 85.468 12 Rb 0.89391072805608 0.10608927194392 0.75000000000000 85.468 *13 Sm 0.63413094074314 0.36586905925686 0.93895054632733 150.360 14 Sm 0.36586905925686 0.63413094074314 0.43895054632733 150.360 15 Sm 0.63413094074314 0.36586905925686 0.56104945367267 150.360 16 Sm 0.36586905925686 0.63413094074314 0.06104945367267 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.991016180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.822055270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.758348570000001 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 2 *3 S 0.50000000000000 0.07599857377201 0.25000000000000 32.065 > 3 4 S 0.00000000000000 0.42400142622799 0.75000000000000 32.065 > 4 *5 S 0.00000000000000 0.26002404880874 0.38827343521390 32.065 > 5 6 S 0.50000000000000 0.23997595119126 0.88827343521390 32.065 > 6 7 S 0.50000000000000 0.23997595119126 0.61172656478610 32.065 > 7 8 S 0.00000000000000 0.26002404880874 0.11172656478610 32.065 > 8 9 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 > 1 10 S 0.50000000000000 0.50000000000000 0.00000000000000 32.065 > 2 11 S 0.00000000000000 0.57599857377201 0.25000000000000 32.065 > 3 12 S 0.50000000000000 0.92400142622799 0.75000000000000 32.065 > 4 13 S 0.50000000000000 0.76002404880874 0.38827343521390 32.065 > 5 14 S 0.00000000000000 0.73997595119126 0.88827343521390 32.065 > 6 15 S 0.00000000000000 0.73997595119126 0.61172656478610 32.065 > 7 16 S 0.50000000000000 0.76002404880874 0.11172656478610 32.065 > 8 *17 Cu 0.50000000000000 0.33527563216338 0.75000000000000 63.546 > 9 18 Cu 0.00000000000000 0.16472436783662 0.25000000000000 63.546 > 10 19 Cu 0.00000000000000 0.83527563216338 0.75000000000000 63.546 > 9 20 Cu 0.50000000000000 0.66472436783662 0.25000000000000 63.546 > 10 *21 Rb 0.50000000000000 0.39391072805609 0.25000000000000 85.468 > 11 22 Rb 0.00000000000000 0.10608927194392 0.75000000000000 85.468 > 12 23 Rb 0.00000000000000 0.89391072805608 0.25000000000000 85.468 > 11 24 Rb 0.50000000000000 0.60608927194392 0.75000000000000 85.468 > 12 *25 Sm 0.00000000000000 0.36586905925686 0.93895054632733 150.360 > 13 26 Sm 0.50000000000000 0.13413094074314 0.43895054632733 150.360 > 14 27 Sm 0.00000000000000 0.36586905925686 0.56104945367267 150.360 > 15 28 Sm 0.50000000000000 0.13413094074314 0.06104945367267 150.360 > 16 29 Sm 0.50000000000000 0.86586905925686 0.93895054632733 150.360 > 13 30 Sm 0.00000000000000 0.63413094074314 0.43895054632733 150.360 > 14 31 Sm 0.50000000000000 0.86586905925686 0.56104945367267 150.360 > 15 32 Sm 0.00000000000000 0.63413094074314 0.06104945367267 150.360 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.964064720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.822055270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.758348570000001 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 1 2 S 0.25000000000000 0.00000000000000 0.50000000000000 32.065 > 1 3 S 0.50000000000000 0.00000000000000 0.50000000000000 32.065 > 1 4 S 0.75000000000000 0.00000000000000 0.50000000000000 32.065 > 1 5 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 2 6 S 0.25000000000000 0.00000000000000 0.00000000000000 32.065 > 2 7 S 0.50000000000000 0.00000000000000 0.00000000000000 32.065 > 2 8 S 0.75000000000000 0.00000000000000 0.00000000000000 32.065 > 2 *9 S 0.12500000000000 0.07599857377201 0.25000000000000 32.065 > 3 10 S 0.37500000000000 0.07599857377201 0.25000000000000 32.065 > 3 11 S 0.62500000000000 0.07599857377201 0.25000000000000 32.065 > 3 12 S 0.87500000000000 0.07599857377201 0.25000000000000 32.065 > 3 13 S 0.00000000000000 0.42400142622799 0.75000000000000 32.065 > 4 14 S 0.25000000000000 0.42400142622799 0.75000000000000 32.065 > 4 15 S 0.50000000000000 0.42400142622799 0.75000000000000 32.065 > 4 16 S 0.75000000000000 0.42400142622799 0.75000000000000 32.065 > 4 *17 S 0.00000000000000 0.26002404880874 0.38827343521390 32.065 > 5 18 S 0.25000000000000 0.26002404880874 0.38827343521390 32.065 > 5 19 S 0.50000000000000 0.26002404880874 0.38827343521390 32.065 > 5 20 S 0.75000000000000 0.26002404880874 0.38827343521390 32.065 > 5 21 S 0.12500000000000 0.23997595119126 0.88827343521390 32.065 > 6 22 S 0.37500000000000 0.23997595119126 0.88827343521390 32.065 > 6 23 S 0.62500000000000 0.23997595119126 0.88827343521390 32.065 > 6 24 S 0.87500000000000 0.23997595119126 0.88827343521390 32.065 > 6 25 S 0.12500000000000 0.23997595119126 0.61172656478610 32.065 > 7 26 S 0.37500000000000 0.23997595119126 0.61172656478610 32.065 > 7 27 S 0.62500000000000 0.23997595119126 0.61172656478610 32.065 > 7 28 S 0.87500000000000 0.23997595119126 0.61172656478610 32.065 > 7 29 S 0.00000000000000 0.26002404880874 0.11172656478610 32.065 > 8 30 S 0.25000000000000 0.26002404880874 0.11172656478610 32.065 > 8 31 S 0.50000000000000 0.26002404880874 0.11172656478610 32.065 > 8 32 S 0.75000000000000 0.26002404880874 0.11172656478610 32.065 > 8 33 S 0.12500000000000 0.50000000000000 0.50000000000000 32.065 > 1 34 S 0.37500000000000 0.50000000000000 0.50000000000000 32.065 > 1 35 S 0.62500000000000 0.50000000000000 0.50000000000000 32.065 > 1 36 S 0.87500000000000 0.50000000000000 0.50000000000000 32.065 > 1 37 S 0.12500000000000 0.50000000000000 0.00000000000000 32.065 > 2 38 S 0.37500000000000 0.50000000000000 0.00000000000000 32.065 > 2 39 S 0.62500000000000 0.50000000000000 0.00000000000000 32.065 > 2 40 S 0.87500000000000 0.50000000000000 0.00000000000000 32.065 > 2 41 S 0.00000000000000 0.57599857377201 0.25000000000000 32.065 > 3 42 S 0.25000000000000 0.57599857377201 0.25000000000000 32.065 > 3 43 S 0.50000000000000 0.57599857377201 0.25000000000000 32.065 > 3 44 S 0.75000000000000 0.57599857377201 0.25000000000000 32.065 > 3 45 S 0.12500000000000 0.92400142622799 0.75000000000000 32.065 > 4 46 S 0.37500000000000 0.92400142622799 0.75000000000000 32.065 > 4 47 S 0.62500000000000 0.92400142622799 0.75000000000000 32.065 > 4 48 S 0.87500000000000 0.92400142622799 0.75000000000000 32.065 > 4 49 S 0.12500000000000 0.76002404880874 0.38827343521390 32.065 > 5 50 S 0.37500000000000 0.76002404880874 0.38827343521390 32.065 > 5 51 S 0.62500000000000 0.76002404880874 0.38827343521390 32.065 > 5 52 S 0.87500000000000 0.76002404880874 0.38827343521390 32.065 > 5 53 S 0.00000000000000 0.73997595119126 0.88827343521390 32.065 > 6 54 S 0.25000000000000 0.73997595119126 0.88827343521390 32.065 > 6 55 S 0.50000000000000 0.73997595119126 0.88827343521390 32.065 > 6 56 S 0.75000000000000 0.73997595119126 0.88827343521390 32.065 > 6 57 S 0.00000000000000 0.73997595119126 0.61172656478610 32.065 > 7 58 S 0.25000000000000 0.73997595119126 0.61172656478610 32.065 > 7 59 S 0.50000000000000 0.73997595119126 0.61172656478610 32.065 > 7 60 S 0.75000000000000 0.73997595119126 0.61172656478610 32.065 > 7 61 S 0.12500000000000 0.76002404880874 0.11172656478610 32.065 > 8 62 S 0.37500000000000 0.76002404880874 0.11172656478610 32.065 > 8 63 S 0.62500000000000 0.76002404880874 0.11172656478610 32.065 > 8 64 S 0.87500000000000 0.76002404880874 0.11172656478610 32.065 > 8 *65 Cu 0.12500000000000 0.33527563216338 0.75000000000000 63.546 > 9 66 Cu 0.37500000000000 0.33527563216338 0.75000000000000 63.546 > 9 67 Cu 0.62500000000000 0.33527563216338 0.75000000000000 63.546 > 9 68 Cu 0.87500000000000 0.33527563216338 0.75000000000000 63.546 > 9 69 Cu 0.00000000000000 0.16472436783662 0.25000000000000 63.546 > 10 70 Cu 0.25000000000000 0.16472436783662 0.25000000000000 63.546 > 10 71 Cu 0.50000000000000 0.16472436783662 0.25000000000000 63.546 > 10 72 Cu 0.75000000000000 0.16472436783662 0.25000000000000 63.546 > 10 73 Cu 0.00000000000000 0.83527563216338 0.75000000000000 63.546 > 9 74 Cu 0.25000000000000 0.83527563216338 0.75000000000000 63.546 > 9 75 Cu 0.50000000000000 0.83527563216338 0.75000000000000 63.546 > 9 76 Cu 0.75000000000000 0.83527563216338 0.75000000000000 63.546 > 9 77 Cu 0.12500000000000 0.66472436783662 0.25000000000000 63.546 > 10 78 Cu 0.37500000000000 0.66472436783662 0.25000000000000 63.546 > 10 79 Cu 0.62500000000000 0.66472436783662 0.25000000000000 63.546 > 10 80 Cu 0.87500000000000 0.66472436783662 0.25000000000000 63.546 > 10 *81 Rb 0.12500000000000 0.39391072805609 0.25000000000000 85.468 > 11 82 Rb 0.37500000000000 0.39391072805609 0.25000000000000 85.468 > 11 83 Rb 0.62500000000000 0.39391072805609 0.25000000000000 85.468 > 11 84 Rb 0.87500000000000 0.39391072805609 0.25000000000000 85.468 > 11 85 Rb 0.00000000000000 0.10608927194392 0.75000000000000 85.468 > 12 86 Rb 0.25000000000000 0.10608927194392 0.75000000000000 85.468 > 12 87 Rb 0.50000000000000 0.10608927194392 0.75000000000000 85.468 > 12 88 Rb 0.75000000000000 0.10608927194392 0.75000000000000 85.468 > 12 89 Rb 0.00000000000000 0.89391072805608 0.25000000000000 85.468 > 11 90 Rb 0.25000000000000 0.89391072805608 0.25000000000000 85.468 > 11 91 Rb 0.50000000000000 0.89391072805608 0.25000000000000 85.468 > 11 92 Rb 0.75000000000000 0.89391072805608 0.25000000000000 85.468 > 11 93 Rb 0.12500000000000 0.60608927194392 0.75000000000000 85.468 > 12 94 Rb 0.37500000000000 0.60608927194392 0.75000000000000 85.468 > 12 95 Rb 0.62500000000000 0.60608927194392 0.75000000000000 85.468 > 12 96 Rb 0.87500000000000 0.60608927194392 0.75000000000000 85.468 > 12 *97 Sm 0.00000000000000 0.36586905925686 0.93895054632733 150.360 > 13 98 Sm 0.25000000000000 0.36586905925686 0.93895054632733 150.360 > 13 99 Sm 0.50000000000000 0.36586905925686 0.93895054632733 150.360 > 13 100 Sm 0.75000000000000 0.36586905925686 0.93895054632733 150.360 > 13 101 Sm 0.12500000000000 0.13413094074314 0.43895054632733 150.360 > 14 102 Sm 0.37500000000000 0.13413094074314 0.43895054632733 150.360 > 14 103 Sm 0.62500000000000 0.13413094074314 0.43895054632733 150.360 > 14 104 Sm 0.87500000000000 0.13413094074314 0.43895054632733 150.360 > 14 105 Sm 0.00000000000000 0.36586905925686 0.56104945367267 150.360 > 15 106 Sm 0.25000000000000 0.36586905925686 0.56104945367267 150.360 > 15 107 Sm 0.50000000000000 0.36586905925686 0.56104945367267 150.360 > 15 108 Sm 0.75000000000000 0.36586905925686 0.56104945367267 150.360 > 15 109 Sm 0.12500000000000 0.13413094074314 0.06104945367267 150.360 > 16 110 Sm 0.37500000000000 0.13413094074314 0.06104945367267 150.360 > 16 111 Sm 0.62500000000000 0.13413094074314 0.06104945367267 150.360 > 16 112 Sm 0.87500000000000 0.13413094074314 0.06104945367267 150.360 > 16 113 Sm 0.12500000000000 0.86586905925686 0.93895054632733 150.360 > 13 114 Sm 0.37500000000000 0.86586905925686 0.93895054632733 150.360 > 13 115 Sm 0.62500000000000 0.86586905925686 0.93895054632733 150.360 > 13 116 Sm 0.87500000000000 0.86586905925686 0.93895054632733 150.360 > 13 117 Sm 0.00000000000000 0.63413094074314 0.43895054632733 150.360 > 14 118 Sm 0.25000000000000 0.63413094074314 0.43895054632733 150.360 > 14 119 Sm 0.50000000000000 0.63413094074314 0.43895054632733 150.360 > 14 120 Sm 0.75000000000000 0.63413094074314 0.43895054632733 150.360 > 14 121 Sm 0.12500000000000 0.86586905925686 0.56104945367267 150.360 > 15 122 Sm 0.37500000000000 0.86586905925686 0.56104945367267 150.360 > 15 123 Sm 0.62500000000000 0.86586905925686 0.56104945367267 150.360 > 15 124 Sm 0.87500000000000 0.86586905925686 0.56104945367267 150.360 > 15 125 Sm 0.00000000000000 0.63413094074314 0.06104945367267 150.360 > 16 126 Sm 0.25000000000000 0.63413094074314 0.06104945367267 150.360 > 16 127 Sm 0.50000000000000 0.63413094074314 0.06104945367267 150.360 > 16 128 Sm 0.75000000000000 0.63413094074314 0.06104945367267 150.360 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4255948 0.0000000 0.0000000 0.0000000 6.0664790 0.0000000 0.0000000 0.0000000 7.9638791 -------------------------- Born effective charges -------------------------- 1 S -4.0000647 0.0000000 0.0000000 0.0000000 -3.1839559 0.9371200 0.0000000 0.8413409 -1.6084376 2 S -4.0000647 0.0000000 0.0000000 0.0000000 -3.1839559 -0.9371200 0.0000000 -0.8413409 -1.6084376 3 S -1.6732892 0.0000000 0.0000000 0.0000000 -1.3618366 0.0000000 0.0000000 0.0000000 -3.5737942 4 S -1.6732892 0.0000000 0.0000000 0.0000000 -1.3618366 0.0000000 0.0000000 0.0000000 -3.5737942 5 S -2.6376452 0.0000000 0.0000000 0.0000000 -2.2065335 -0.3910046 0.0000000 -0.6707703 -2.7577352 6 S -2.6376452 0.0000000 0.0000000 0.0000000 -2.2065335 0.3910046 0.0000000 0.6707703 -2.7577352 7 S -2.6376452 0.0000000 0.0000000 0.0000000 -2.2065335 -0.3910046 0.0000000 -0.6707703 -2.7577352 8 S -2.6376452 0.0000000 0.0000000 0.0000000 -2.2065335 0.3910046 0.0000000 0.6707703 -2.7577352 9 Cu 0.5056084 0.0000000 0.0000000 0.0000000 0.2958350 0.0000000 0.0000000 0.0000000 0.1456842 10 Cu 0.5056084 0.0000000 0.0000000 0.0000000 0.2958350 0.0000000 0.0000000 0.0000000 0.1456842 11 Rb 1.1215259 0.0000000 0.0000000 0.0000000 1.5946370 0.0000000 0.0000000 0.0000000 1.2377647 12 Rb 1.1215259 0.0000000 0.0000000 0.0000000 1.5946370 0.0000000 0.0000000 0.0000000 1.2377647 13 Sm 4.6607550 0.0000000 0.0000000 0.0000000 3.5341937 -0.0433734 0.0000000 -0.3112440 4.6571266 14 Sm 4.6607550 0.0000000 0.0000000 0.0000000 3.5341937 0.0433734 0.0000000 0.3112440 4.6571266 15 Sm 4.6607550 0.0000000 0.0000000 0.0000000 3.5341937 0.0433734 0.0000000 0.3112440 4.6571266 16 Sm 4.6607550 0.0000000 0.0000000 0.0000000 3.5341937 -0.0433734 0.0000000 -0.3112440 4.6571266 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1333 Number of blocks in projector: 1333 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: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1333, 1309), data: False |-- (162, 162), data: True |-- (216, 216), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (280, 274), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 1.908 Solver_block: 200 / 240 - Time: 1.877 Solver_block: 240 / 240 - Time: 0.822 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.637 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1333 Number of blocks in projector: 1333 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: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1333, 1309), data: False |-- (162, 162), data: True |-- (216, 216), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (280, 274), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:46:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:46:51]------------------------- 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): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.995508090000000 -6.911027635000000 0.000000000000000 b 1.995508090000000 6.911027635000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.758348570000001 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 2 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 3 S 0.42400142622799 0.57599857377201 0.25000000000000 32.065 4 S 0.57599857377201 0.42400142622799 0.75000000000000 32.065 5 S 0.73997595119126 0.26002404880874 0.38827343521390 32.065 6 S 0.26002404880874 0.73997595119126 0.88827343521390 32.065 7 S 0.26002404880874 0.73997595119126 0.61172656478610 32.065 8 S 0.73997595119126 0.26002404880874 0.11172656478610 32.065 9 Cu 0.16472436783662 0.83527563216338 0.75000000000000 63.546 10 Cu 0.83527563216338 0.16472436783662 0.25000000000000 63.546 11 Rb 0.10608927194391 0.89391072805608 0.25000000000000 85.468 12 Rb 0.89391072805608 0.10608927194392 0.75000000000000 85.468 13 Sm 0.63413094074314 0.36586905925686 0.93895054632733 150.360 14 Sm 0.36586905925686 0.63413094074314 0.43895054632733 150.360 15 Sm 0.63413094074314 0.36586905925686 0.56104945367267 150.360 16 Sm 0.36586905925686 0.63413094074314 0.06104945367267 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.964064720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.822055270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.758348570000001 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 1 2 S 0.25000000000000 0.00000000000000 0.50000000000000 32.065 > 1 3 S 0.50000000000000 0.00000000000000 0.50000000000000 32.065 > 1 4 S 0.75000000000000 0.00000000000000 0.50000000000000 32.065 > 1 5 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 5 6 S 0.25000000000000 0.00000000000000 0.00000000000000 32.065 > 5 7 S 0.50000000000000 0.00000000000000 0.00000000000000 32.065 > 5 8 S 0.75000000000000 0.00000000000000 0.00000000000000 32.065 > 5 9 S 0.12500000000000 0.07599857377201 0.25000000000000 32.065 > 9 10 S 0.37500000000000 0.07599857377201 0.25000000000000 32.065 > 9 11 S 0.62500000000000 0.07599857377201 0.25000000000000 32.065 > 9 12 S 0.87500000000000 0.07599857377201 0.25000000000000 32.065 > 9 13 S 0.00000000000000 0.42400142622799 0.75000000000000 32.065 > 13 14 S 0.25000000000000 0.42400142622799 0.75000000000000 32.065 > 13 15 S 0.50000000000000 0.42400142622799 0.75000000000000 32.065 > 13 16 S 0.75000000000000 0.42400142622799 0.75000000000000 32.065 > 13 17 S 0.00000000000000 0.26002404880874 0.38827343521390 32.065 > 17 18 S 0.25000000000000 0.26002404880874 0.38827343521390 32.065 > 17 19 S 0.50000000000000 0.26002404880874 0.38827343521390 32.065 > 17 20 S 0.75000000000000 0.26002404880874 0.38827343521390 32.065 > 17 21 S 0.12500000000000 0.23997595119126 0.88827343521390 32.065 > 21 22 S 0.37500000000000 0.23997595119126 0.88827343521390 32.065 > 21 23 S 0.62500000000000 0.23997595119126 0.88827343521390 32.065 > 21 24 S 0.87500000000000 0.23997595119126 0.88827343521390 32.065 > 21 25 S 0.12500000000000 0.23997595119126 0.61172656478610 32.065 > 25 26 S 0.37500000000000 0.23997595119126 0.61172656478610 32.065 > 25 27 S 0.62500000000000 0.23997595119126 0.61172656478610 32.065 > 25 28 S 0.87500000000000 0.23997595119126 0.61172656478610 32.065 > 25 29 S 0.00000000000000 0.26002404880874 0.11172656478610 32.065 > 29 30 S 0.25000000000000 0.26002404880874 0.11172656478610 32.065 > 29 31 S 0.50000000000000 0.26002404880874 0.11172656478610 32.065 > 29 32 S 0.75000000000000 0.26002404880874 0.11172656478610 32.065 > 29 33 S 0.12500000000000 0.50000000000000 0.50000000000000 32.065 > 1 34 S 0.37500000000000 0.50000000000000 0.50000000000000 32.065 > 1 35 S 0.62500000000000 0.50000000000000 0.50000000000000 32.065 > 1 36 S 0.87500000000000 0.50000000000000 0.50000000000000 32.065 > 1 37 S 0.12500000000000 0.50000000000000 0.00000000000000 32.065 > 5 38 S 0.37500000000000 0.50000000000000 0.00000000000000 32.065 > 5 39 S 0.62500000000000 0.50000000000000 0.00000000000000 32.065 > 5 40 S 0.87500000000000 0.50000000000000 0.00000000000000 32.065 > 5 41 S 0.00000000000000 0.57599857377201 0.25000000000000 32.065 > 9 42 S 0.25000000000000 0.57599857377201 0.25000000000000 32.065 > 9 43 S 0.50000000000000 0.57599857377201 0.25000000000000 32.065 > 9 44 S 0.75000000000000 0.57599857377201 0.25000000000000 32.065 > 9 45 S 0.12500000000000 0.92400142622799 0.75000000000000 32.065 > 13 46 S 0.37500000000000 0.92400142622799 0.75000000000000 32.065 > 13 47 S 0.62500000000000 0.92400142622799 0.75000000000000 32.065 > 13 48 S 0.87500000000000 0.92400142622799 0.75000000000000 32.065 > 13 49 S 0.12500000000000 0.76002404880874 0.38827343521390 32.065 > 17 50 S 0.37500000000000 0.76002404880874 0.38827343521390 32.065 > 17 51 S 0.62500000000000 0.76002404880874 0.38827343521390 32.065 > 17 52 S 0.87500000000000 0.76002404880874 0.38827343521390 32.065 > 17 53 S 0.00000000000000 0.73997595119126 0.88827343521390 32.065 > 21 54 S 0.25000000000000 0.73997595119126 0.88827343521390 32.065 > 21 55 S 0.50000000000000 0.73997595119126 0.88827343521390 32.065 > 21 56 S 0.75000000000000 0.73997595119126 0.88827343521390 32.065 > 21 57 S 0.00000000000000 0.73997595119126 0.61172656478610 32.065 > 25 58 S 0.25000000000000 0.73997595119126 0.61172656478610 32.065 > 25 59 S 0.50000000000000 0.73997595119126 0.61172656478610 32.065 > 25 60 S 0.75000000000000 0.73997595119126 0.61172656478610 32.065 > 25 61 S 0.12500000000000 0.76002404880874 0.11172656478610 32.065 > 29 62 S 0.37500000000000 0.76002404880874 0.11172656478610 32.065 > 29 63 S 0.62500000000000 0.76002404880874 0.11172656478610 32.065 > 29 64 S 0.87500000000000 0.76002404880874 0.11172656478610 32.065 > 29 65 Cu 0.12500000000000 0.33527563216338 0.75000000000000 63.546 > 65 66 Cu 0.37500000000000 0.33527563216338 0.75000000000000 63.546 > 65 67 Cu 0.62500000000000 0.33527563216338 0.75000000000000 63.546 > 65 68 Cu 0.87500000000000 0.33527563216338 0.75000000000000 63.546 > 65 69 Cu 0.00000000000000 0.16472436783662 0.25000000000000 63.546 > 69 70 Cu 0.25000000000000 0.16472436783662 0.25000000000000 63.546 > 69 71 Cu 0.50000000000000 0.16472436783662 0.25000000000000 63.546 > 69 72 Cu 0.75000000000000 0.16472436783662 0.25000000000000 63.546 > 69 73 Cu 0.00000000000000 0.83527563216338 0.75000000000000 63.546 > 65 74 Cu 0.25000000000000 0.83527563216338 0.75000000000000 63.546 > 65 75 Cu 0.50000000000000 0.83527563216338 0.75000000000000 63.546 > 65 76 Cu 0.75000000000000 0.83527563216338 0.75000000000000 63.546 > 65 77 Cu 0.12500000000000 0.66472436783662 0.25000000000000 63.546 > 69 78 Cu 0.37500000000000 0.66472436783662 0.25000000000000 63.546 > 69 79 Cu 0.62500000000000 0.66472436783662 0.25000000000000 63.546 > 69 80 Cu 0.87500000000000 0.66472436783662 0.25000000000000 63.546 > 69 81 Rb 0.12500000000000 0.39391072805609 0.25000000000000 85.468 > 81 82 Rb 0.37500000000000 0.39391072805609 0.25000000000000 85.468 > 81 83 Rb 0.62500000000000 0.39391072805609 0.25000000000000 85.468 > 81 84 Rb 0.87500000000000 0.39391072805609 0.25000000000000 85.468 > 81 85 Rb 0.00000000000000 0.10608927194392 0.75000000000000 85.468 > 85 86 Rb 0.25000000000000 0.10608927194392 0.75000000000000 85.468 > 85 87 Rb 0.50000000000000 0.10608927194392 0.75000000000000 85.468 > 85 88 Rb 0.75000000000000 0.10608927194392 0.75000000000000 85.468 > 85 89 Rb 0.00000000000000 0.89391072805608 0.25000000000000 85.468 > 81 90 Rb 0.25000000000000 0.89391072805608 0.25000000000000 85.468 > 81 91 Rb 0.50000000000000 0.89391072805608 0.25000000000000 85.468 > 81 92 Rb 0.75000000000000 0.89391072805608 0.25000000000000 85.468 > 81 93 Rb 0.12500000000000 0.60608927194392 0.75000000000000 85.468 > 85 94 Rb 0.37500000000000 0.60608927194392 0.75000000000000 85.468 > 85 95 Rb 0.62500000000000 0.60608927194392 0.75000000000000 85.468 > 85 96 Rb 0.87500000000000 0.60608927194392 0.75000000000000 85.468 > 85 97 Sm 0.00000000000000 0.36586905925686 0.93895054632733 150.360 > 97 98 Sm 0.25000000000000 0.36586905925686 0.93895054632733 150.360 > 97 99 Sm 0.50000000000000 0.36586905925686 0.93895054632733 150.360 > 97 100 Sm 0.75000000000000 0.36586905925686 0.93895054632733 150.360 > 97 101 Sm 0.12500000000000 0.13413094074314 0.43895054632733 150.360 > 101 102 Sm 0.37500000000000 0.13413094074314 0.43895054632733 150.360 > 101 103 Sm 0.62500000000000 0.13413094074314 0.43895054632733 150.360 > 101 104 Sm 0.87500000000000 0.13413094074314 0.43895054632733 150.360 > 101 105 Sm 0.00000000000000 0.36586905925686 0.56104945367267 150.360 > 105 106 Sm 0.25000000000000 0.36586905925686 0.56104945367267 150.360 > 105 107 Sm 0.50000000000000 0.36586905925686 0.56104945367267 150.360 > 105 108 Sm 0.75000000000000 0.36586905925686 0.56104945367267 150.360 > 105 109 Sm 0.12500000000000 0.13413094074314 0.06104945367267 150.360 > 109 110 Sm 0.37500000000000 0.13413094074314 0.06104945367267 150.360 > 109 111 Sm 0.62500000000000 0.13413094074314 0.06104945367267 150.360 > 109 112 Sm 0.87500000000000 0.13413094074314 0.06104945367267 150.360 > 109 113 Sm 0.12500000000000 0.86586905925686 0.93895054632733 150.360 > 97 114 Sm 0.37500000000000 0.86586905925686 0.93895054632733 150.360 > 97 115 Sm 0.62500000000000 0.86586905925686 0.93895054632733 150.360 > 97 116 Sm 0.87500000000000 0.86586905925686 0.93895054632733 150.360 > 97 117 Sm 0.00000000000000 0.63413094074314 0.43895054632733 150.360 > 101 118 Sm 0.25000000000000 0.63413094074314 0.43895054632733 150.360 > 101 119 Sm 0.50000000000000 0.63413094074314 0.43895054632733 150.360 > 101 120 Sm 0.75000000000000 0.63413094074314 0.43895054632733 150.360 > 101 121 Sm 0.12500000000000 0.86586905925686 0.56104945367267 150.360 > 105 122 Sm 0.37500000000000 0.86586905925686 0.56104945367267 150.360 > 105 123 Sm 0.62500000000000 0.86586905925686 0.56104945367267 150.360 > 105 124 Sm 0.87500000000000 0.86586905925686 0.56104945367267 150.360 > 105 125 Sm 0.00000000000000 0.63413094074314 0.06104945367267 150.360 > 109 126 Sm 0.25000000000000 0.63413094074314 0.06104945367267 150.360 > 109 127 Sm 0.50000000000000 0.63413094074314 0.06104945367267 150.360 > 109 128 Sm 0.75000000000000 0.63413094074314 0.06104945367267 150.360 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4255948 0.0000000 0.0000000 0.0000000 6.0664790 0.0000000 0.0000000 0.0000000 7.9638791 -------------------------- Born effective charges -------------------------- 1 S -4.0000647 0.0000000 0.0000000 0.0000000 -3.1839559 0.9371200 0.0000000 0.8413409 -1.6084376 2 S -4.0000647 0.0000000 0.0000000 0.0000000 -3.1839559 -0.9371200 0.0000000 -0.8413409 -1.6084376 3 S -1.6732892 0.0000000 0.0000000 0.0000000 -1.3618366 0.0000000 0.0000000 0.0000000 -3.5737942 4 S -1.6732892 0.0000000 0.0000000 0.0000000 -1.3618366 0.0000000 0.0000000 0.0000000 -3.5737942 5 S -2.6376452 0.0000000 0.0000000 0.0000000 -2.2065335 -0.3910046 0.0000000 -0.6707703 -2.7577352 6 S -2.6376452 0.0000000 0.0000000 0.0000000 -2.2065335 0.3910046 0.0000000 0.6707703 -2.7577352 7 S -2.6376452 0.0000000 0.0000000 0.0000000 -2.2065335 -0.3910046 0.0000000 -0.6707703 -2.7577352 8 S -2.6376452 0.0000000 0.0000000 0.0000000 -2.2065335 0.3910046 0.0000000 0.6707703 -2.7577352 9 Cu 0.5056084 0.0000000 0.0000000 0.0000000 0.2958350 0.0000000 0.0000000 0.0000000 0.1456842 10 Cu 0.5056084 0.0000000 0.0000000 0.0000000 0.2958350 0.0000000 0.0000000 0.0000000 0.1456842 11 Rb 1.1215259 0.0000000 0.0000000 0.0000000 1.5946370 0.0000000 0.0000000 0.0000000 1.2377647 12 Rb 1.1215259 0.0000000 0.0000000 0.0000000 1.5946370 0.0000000 0.0000000 0.0000000 1.2377647 13 Sm 4.6607550 0.0000000 0.0000000 0.0000000 3.5341937 -0.0433734 0.0000000 -0.3112440 4.6571266 14 Sm 4.6607550 0.0000000 0.0000000 0.0000000 3.5341937 0.0433734 0.0000000 0.3112440 4.6571266 15 Sm 4.6607550 0.0000000 0.0000000 0.0000000 3.5341937 0.0433734 0.0000000 0.3112440 4.6571266 16 Sm 4.6607550 0.0000000 0.0000000 0.0000000 3.5341937 -0.0433734 0.0000000 -0.3112440 4.6571266 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzx) 0.00000000 (zzx) 0.00000000 (zxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 2026-01-07 23:47:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:47:11]------------------------- 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): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.995508090000000 -6.911027635000000 0.000000000000000 b 1.995508090000000 6.911027635000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.758348570000001 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 2 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 3 S 0.42400142622799 0.57599857377201 0.25000000000000 32.065 4 S 0.57599857377201 0.42400142622799 0.75000000000000 32.065 5 S 0.73997595119126 0.26002404880874 0.38827343521390 32.065 6 S 0.26002404880874 0.73997595119126 0.88827343521390 32.065 7 S 0.26002404880874 0.73997595119126 0.61172656478610 32.065 8 S 0.73997595119126 0.26002404880874 0.11172656478610 32.065 9 Cu 0.16472436783662 0.83527563216338 0.75000000000000 63.546 10 Cu 0.83527563216338 0.16472436783662 0.25000000000000 63.546 11 Rb 0.10608927194391 0.89391072805608 0.25000000000000 85.468 12 Rb 0.89391072805608 0.10608927194392 0.75000000000000 85.468 13 Sm 0.63413094074314 0.36586905925686 0.93895054632733 150.360 14 Sm 0.36586905925686 0.63413094074314 0.43895054632733 150.360 15 Sm 0.63413094074314 0.36586905925686 0.56104945367267 150.360 16 Sm 0.36586905925686 0.63413094074314 0.06104945367267 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.964064720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.822055270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.758348570000001 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 1 2 S 0.25000000000000 0.00000000000000 0.50000000000000 32.065 > 1 3 S 0.50000000000000 0.00000000000000 0.50000000000000 32.065 > 1 4 S 0.75000000000000 0.00000000000000 0.50000000000000 32.065 > 1 5 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 5 6 S 0.25000000000000 0.00000000000000 0.00000000000000 32.065 > 5 7 S 0.50000000000000 0.00000000000000 0.00000000000000 32.065 > 5 8 S 0.75000000000000 0.00000000000000 0.00000000000000 32.065 > 5 9 S 0.12500000000000 0.07599857377201 0.25000000000000 32.065 > 9 10 S 0.37500000000000 0.07599857377201 0.25000000000000 32.065 > 9 11 S 0.62500000000000 0.07599857377201 0.25000000000000 32.065 > 9 12 S 0.87500000000000 0.07599857377201 0.25000000000000 32.065 > 9 13 S 0.00000000000000 0.42400142622799 0.75000000000000 32.065 > 13 14 S 0.25000000000000 0.42400142622799 0.75000000000000 32.065 > 13 15 S 0.50000000000000 0.42400142622799 0.75000000000000 32.065 > 13 16 S 0.75000000000000 0.42400142622799 0.75000000000000 32.065 > 13 17 S 0.00000000000000 0.26002404880874 0.38827343521390 32.065 > 17 18 S 0.25000000000000 0.26002404880874 0.38827343521390 32.065 > 17 19 S 0.50000000000000 0.26002404880874 0.38827343521390 32.065 > 17 20 S 0.75000000000000 0.26002404880874 0.38827343521390 32.065 > 17 21 S 0.12500000000000 0.23997595119126 0.88827343521390 32.065 > 21 22 S 0.37500000000000 0.23997595119126 0.88827343521390 32.065 > 21 23 S 0.62500000000000 0.23997595119126 0.88827343521390 32.065 > 21 24 S 0.87500000000000 0.23997595119126 0.88827343521390 32.065 > 21 25 S 0.12500000000000 0.23997595119126 0.61172656478610 32.065 > 25 26 S 0.37500000000000 0.23997595119126 0.61172656478610 32.065 > 25 27 S 0.62500000000000 0.23997595119126 0.61172656478610 32.065 > 25 28 S 0.87500000000000 0.23997595119126 0.61172656478610 32.065 > 25 29 S 0.00000000000000 0.26002404880874 0.11172656478610 32.065 > 29 30 S 0.25000000000000 0.26002404880874 0.11172656478610 32.065 > 29 31 S 0.50000000000000 0.26002404880874 0.11172656478610 32.065 > 29 32 S 0.75000000000000 0.26002404880874 0.11172656478610 32.065 > 29 33 S 0.12500000000000 0.50000000000000 0.50000000000000 32.065 > 1 34 S 0.37500000000000 0.50000000000000 0.50000000000000 32.065 > 1 35 S 0.62500000000000 0.50000000000000 0.50000000000000 32.065 > 1 36 S 0.87500000000000 0.50000000000000 0.50000000000000 32.065 > 1 37 S 0.12500000000000 0.50000000000000 0.00000000000000 32.065 > 5 38 S 0.37500000000000 0.50000000000000 0.00000000000000 32.065 > 5 39 S 0.62500000000000 0.50000000000000 0.00000000000000 32.065 > 5 40 S 0.87500000000000 0.50000000000000 0.00000000000000 32.065 > 5 41 S 0.00000000000000 0.57599857377201 0.25000000000000 32.065 > 9 42 S 0.25000000000000 0.57599857377201 0.25000000000000 32.065 > 9 43 S 0.50000000000000 0.57599857377201 0.25000000000000 32.065 > 9 44 S 0.75000000000000 0.57599857377201 0.25000000000000 32.065 > 9 45 S 0.12500000000000 0.92400142622799 0.75000000000000 32.065 > 13 46 S 0.37500000000000 0.92400142622799 0.75000000000000 32.065 > 13 47 S 0.62500000000000 0.92400142622799 0.75000000000000 32.065 > 13 48 S 0.87500000000000 0.92400142622799 0.75000000000000 32.065 > 13 49 S 0.12500000000000 0.76002404880874 0.38827343521390 32.065 > 17 50 S 0.37500000000000 0.76002404880874 0.38827343521390 32.065 > 17 51 S 0.62500000000000 0.76002404880874 0.38827343521390 32.065 > 17 52 S 0.87500000000000 0.76002404880874 0.38827343521390 32.065 > 17 53 S 0.00000000000000 0.73997595119126 0.88827343521390 32.065 > 21 54 S 0.25000000000000 0.73997595119126 0.88827343521390 32.065 > 21 55 S 0.50000000000000 0.73997595119126 0.88827343521390 32.065 > 21 56 S 0.75000000000000 0.73997595119126 0.88827343521390 32.065 > 21 57 S 0.00000000000000 0.73997595119126 0.61172656478610 32.065 > 25 58 S 0.25000000000000 0.73997595119126 0.61172656478610 32.065 > 25 59 S 0.50000000000000 0.73997595119126 0.61172656478610 32.065 > 25 60 S 0.75000000000000 0.73997595119126 0.61172656478610 32.065 > 25 61 S 0.12500000000000 0.76002404880874 0.11172656478610 32.065 > 29 62 S 0.37500000000000 0.76002404880874 0.11172656478610 32.065 > 29 63 S 0.62500000000000 0.76002404880874 0.11172656478610 32.065 > 29 64 S 0.87500000000000 0.76002404880874 0.11172656478610 32.065 > 29 65 Cu 0.12500000000000 0.33527563216338 0.75000000000000 63.546 > 65 66 Cu 0.37500000000000 0.33527563216338 0.75000000000000 63.546 > 65 67 Cu 0.62500000000000 0.33527563216338 0.75000000000000 63.546 > 65 68 Cu 0.87500000000000 0.33527563216338 0.75000000000000 63.546 > 65 69 Cu 0.00000000000000 0.16472436783662 0.25000000000000 63.546 > 69 70 Cu 0.25000000000000 0.16472436783662 0.25000000000000 63.546 > 69 71 Cu 0.50000000000000 0.16472436783662 0.25000000000000 63.546 > 69 72 Cu 0.75000000000000 0.16472436783662 0.25000000000000 63.546 > 69 73 Cu 0.00000000000000 0.83527563216338 0.75000000000000 63.546 > 65 74 Cu 0.25000000000000 0.83527563216338 0.75000000000000 63.546 > 65 75 Cu 0.50000000000000 0.83527563216338 0.75000000000000 63.546 > 65 76 Cu 0.75000000000000 0.83527563216338 0.75000000000000 63.546 > 65 77 Cu 0.12500000000000 0.66472436783662 0.25000000000000 63.546 > 69 78 Cu 0.37500000000000 0.66472436783662 0.25000000000000 63.546 > 69 79 Cu 0.62500000000000 0.66472436783662 0.25000000000000 63.546 > 69 80 Cu 0.87500000000000 0.66472436783662 0.25000000000000 63.546 > 69 81 Rb 0.12500000000000 0.39391072805609 0.25000000000000 85.468 > 81 82 Rb 0.37500000000000 0.39391072805609 0.25000000000000 85.468 > 81 83 Rb 0.62500000000000 0.39391072805609 0.25000000000000 85.468 > 81 84 Rb 0.87500000000000 0.39391072805609 0.25000000000000 85.468 > 81 85 Rb 0.00000000000000 0.10608927194392 0.75000000000000 85.468 > 85 86 Rb 0.25000000000000 0.10608927194392 0.75000000000000 85.468 > 85 87 Rb 0.50000000000000 0.10608927194392 0.75000000000000 85.468 > 85 88 Rb 0.75000000000000 0.10608927194392 0.75000000000000 85.468 > 85 89 Rb 0.00000000000000 0.89391072805608 0.25000000000000 85.468 > 81 90 Rb 0.25000000000000 0.89391072805608 0.25000000000000 85.468 > 81 91 Rb 0.50000000000000 0.89391072805608 0.25000000000000 85.468 > 81 92 Rb 0.75000000000000 0.89391072805608 0.25000000000000 85.468 > 81 93 Rb 0.12500000000000 0.60608927194392 0.75000000000000 85.468 > 85 94 Rb 0.37500000000000 0.60608927194392 0.75000000000000 85.468 > 85 95 Rb 0.62500000000000 0.60608927194392 0.75000000000000 85.468 > 85 96 Rb 0.87500000000000 0.60608927194392 0.75000000000000 85.468 > 85 97 Sm 0.00000000000000 0.36586905925686 0.93895054632733 150.360 > 97 98 Sm 0.25000000000000 0.36586905925686 0.93895054632733 150.360 > 97 99 Sm 0.50000000000000 0.36586905925686 0.93895054632733 150.360 > 97 100 Sm 0.75000000000000 0.36586905925686 0.93895054632733 150.360 > 97 101 Sm 0.12500000000000 0.13413094074314 0.43895054632733 150.360 > 101 102 Sm 0.37500000000000 0.13413094074314 0.43895054632733 150.360 > 101 103 Sm 0.62500000000000 0.13413094074314 0.43895054632733 150.360 > 101 104 Sm 0.87500000000000 0.13413094074314 0.43895054632733 150.360 > 101 105 Sm 0.00000000000000 0.36586905925686 0.56104945367267 150.360 > 105 106 Sm 0.25000000000000 0.36586905925686 0.56104945367267 150.360 > 105 107 Sm 0.50000000000000 0.36586905925686 0.56104945367267 150.360 > 105 108 Sm 0.75000000000000 0.36586905925686 0.56104945367267 150.360 > 105 109 Sm 0.12500000000000 0.13413094074314 0.06104945367267 150.360 > 109 110 Sm 0.37500000000000 0.13413094074314 0.06104945367267 150.360 > 109 111 Sm 0.62500000000000 0.13413094074314 0.06104945367267 150.360 > 109 112 Sm 0.87500000000000 0.13413094074314 0.06104945367267 150.360 > 109 113 Sm 0.12500000000000 0.86586905925686 0.93895054632733 150.360 > 97 114 Sm 0.37500000000000 0.86586905925686 0.93895054632733 150.360 > 97 115 Sm 0.62500000000000 0.86586905925686 0.93895054632733 150.360 > 97 116 Sm 0.87500000000000 0.86586905925686 0.93895054632733 150.360 > 97 117 Sm 0.00000000000000 0.63413094074314 0.43895054632733 150.360 > 101 118 Sm 0.25000000000000 0.63413094074314 0.43895054632733 150.360 > 101 119 Sm 0.50000000000000 0.63413094074314 0.43895054632733 150.360 > 101 120 Sm 0.75000000000000 0.63413094074314 0.43895054632733 150.360 > 101 121 Sm 0.12500000000000 0.86586905925686 0.56104945367267 150.360 > 105 122 Sm 0.37500000000000 0.86586905925686 0.56104945367267 150.360 > 105 123 Sm 0.62500000000000 0.86586905925686 0.56104945367267 150.360 > 105 124 Sm 0.87500000000000 0.86586905925686 0.56104945367267 150.360 > 105 125 Sm 0.00000000000000 0.63413094074314 0.06104945367267 150.360 > 109 126 Sm 0.25000000000000 0.63413094074314 0.06104945367267 150.360 > 109 127 Sm 0.50000000000000 0.63413094074314 0.06104945367267 150.360 > 109 128 Sm 0.75000000000000 0.63413094074314 0.06104945367267 150.360 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.4255948 0.0000000 0.0000000 0.0000000 6.0664790 0.0000000 0.0000000 0.0000000 7.9638791 -------------------------- Born effective charges -------------------------- 1 S -4.0000647 0.0000000 0.0000000 0.0000000 -3.1839559 0.9371200 0.0000000 0.8413409 -1.6084376 2 S -4.0000647 0.0000000 0.0000000 0.0000000 -3.1839559 -0.9371200 0.0000000 -0.8413409 -1.6084376 3 S -1.6732892 0.0000000 0.0000000 0.0000000 -1.3618366 0.0000000 0.0000000 0.0000000 -3.5737942 4 S -1.6732892 0.0000000 0.0000000 0.0000000 -1.3618366 0.0000000 0.0000000 0.0000000 -3.5737942 5 S -2.6376452 0.0000000 0.0000000 0.0000000 -2.2065335 -0.3910046 0.0000000 -0.6707703 -2.7577352 6 S -2.6376452 0.0000000 0.0000000 0.0000000 -2.2065335 0.3910046 0.0000000 0.6707703 -2.7577352 7 S -2.6376452 0.0000000 0.0000000 0.0000000 -2.2065335 -0.3910046 0.0000000 -0.6707703 -2.7577352 8 S -2.6376452 0.0000000 0.0000000 0.0000000 -2.2065335 0.3910046 0.0000000 0.6707703 -2.7577352 9 Cu 0.5056084 0.0000000 0.0000000 0.0000000 0.2958350 0.0000000 0.0000000 0.0000000 0.1456842 10 Cu 0.5056084 0.0000000 0.0000000 0.0000000 0.2958350 0.0000000 0.0000000 0.0000000 0.1456842 11 Rb 1.1215259 0.0000000 0.0000000 0.0000000 1.5946370 0.0000000 0.0000000 0.0000000 1.2377647 12 Rb 1.1215259 0.0000000 0.0000000 0.0000000 1.5946370 0.0000000 0.0000000 0.0000000 1.2377647 13 Sm 4.6607550 0.0000000 0.0000000 0.0000000 3.5341937 -0.0433734 0.0000000 -0.3112440 4.6571266 14 Sm 4.6607550 0.0000000 0.0000000 0.0000000 3.5341937 0.0433734 0.0000000 0.3112440 4.6571266 15 Sm 4.6607550 0.0000000 0.0000000 0.0000000 3.5341937 0.0433734 0.0000000 0.3112440 4.6571266 16 Sm 4.6607550 0.0000000 0.0000000 0.0000000 3.5341937 -0.0433734 0.0000000 -0.3112440 4.6571266 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzx) 0.00000000 (zzx) 0.00000000 (zxz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 4 ] 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: 0.57, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 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 1.149 ( 0.000 0.000 0.000) 0.000 1.367 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.098 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 0.000) 0.000 2.707 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.536 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.372 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.709 ( 0.000 0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 7.099 ( 0.000 0.000 0.000) 0.000 7.166 ( 0.000 0.000 0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 7.467 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.582 ( 0.000 0.000 0.000) 0.000 7.679 ( 0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 8.847 ( 0.000 0.000 0.000) 0.000 9.205 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 9.669 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 22.765 -5.612 0.000) 23.446 0.563 ( 28.156 -1.688 0.000) 28.206 0.976 ( 44.998 -12.957 0.000) 46.827 1.259 ( 9.530 -3.344 0.000) 10.100 1.544 ( 14.088 -1.505 0.000) 14.168 1.811 ( 9.924 -1.006 0.000) 9.975 2.098 ( 2.669 2.554 0.000) 3.694 2.102 ( 3.383 0.537 0.000) 3.425 2.184 ( -1.041 1.262 0.000) 1.636 2.322 ( 11.239 2.335 0.000) 11.479 2.387 ( 2.937 0.374 0.000) 2.961 2.432 ( 6.897 3.051 0.000) 7.542 2.601 ( 0.876 0.293 0.000) 0.924 2.639 ( 2.876 -2.042 0.000) 3.527 2.706 ( 2.382 0.376 0.000) 2.412 2.796 ( 6.930 -0.614 0.000) 6.958 2.905 ( 1.840 -2.728 0.000) 3.291 3.195 ( -1.648 2.107 0.000) 2.675 3.393 ( -1.942 2.209 0.000) 2.941 3.478 ( -1.900 -0.415 0.000) 1.945 3.528 ( -0.716 -0.038 0.000) 0.717 3.628 ( -1.478 -4.070 0.000) 4.330 3.652 ( 0.625 0.315 0.000) 0.700 3.833 ( -5.071 1.598 0.000) 5.317 3.905 ( -1.823 -2.270 0.000) 2.911 4.045 ( -5.655 2.631 0.000) 6.237 5.685 ( 28.870 -0.223 0.000) 28.871 6.295 ( -3.906 -2.836 0.000) 4.827 6.357 ( 0.505 14.186 0.000) 14.195 6.555 ( 1.041 4.860 0.000) 4.970 6.734 ( 1.286 4.127 0.000) 4.322 6.765 ( 6.329 0.102 0.000) 6.330 6.808 ( 5.508 -3.714 0.000) 6.644 7.031 ( -4.918 -0.865 0.000) 4.994 7.125 ( -3.313 1.839 0.000) 3.789 7.286 ( 2.402 -0.360 0.000) 2.429 7.385 ( -2.136 9.078 0.000) 9.326 7.514 ( 1.781 -0.256 0.000) 1.800 7.565 ( 3.173 0.609 0.000) 3.231 7.646 ( 5.789 -1.512 0.000) 5.983 7.651 ( -3.117 -0.898 0.000) 3.244 7.906 ( -2.344 1.392 0.000) 2.726 8.496 ( -0.355 -6.856 0.000) 6.865 8.834 ( -1.383 0.073 0.000) 1.385 9.198 ( -0.627 0.149 0.000) 0.645 9.345 ( -1.177 1.093 0.000) 1.606 9.629 ( -5.270 -2.542 0.000) 5.851 9.709 ( -2.420 -1.165 0.000) 2.685 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 21.034 -4.136 0.000) 21.437 1.093 ( 26.073 0.353 0.000) 26.075 1.510 ( 13.376 -3.400 0.000) 13.802 1.768 ( 6.889 -0.759 0.000) 6.930 1.845 ( 37.265 -11.028 0.000) 38.862 2.037 ( 11.049 -2.971 0.000) 11.441 2.148 ( -1.270 2.107 0.000) 2.461 2.186 ( 8.106 3.909 0.000) 9.000 2.191 ( 4.342 0.213 0.000) 4.348 2.460 ( 4.845 2.392 0.000) 5.403 2.525 ( 8.976 0.763 0.000) 9.009 2.605 ( 12.201 2.186 0.000) 12.396 2.651 ( 4.594 3.149 0.000) 5.570 2.793 ( 12.667 -1.702 0.000) 12.781 2.797 ( 9.085 1.884 0.000) 9.278 2.929 ( 5.968 0.456 0.000) 5.985 3.003 ( 6.188 -5.892 0.000) 8.545 3.141 ( -2.143 2.202 0.000) 3.073 3.342 ( -2.332 0.743 0.000) 2.447 3.425 ( -3.971 -0.538 0.000) 4.008 3.514 ( -0.746 0.307 0.000) 0.806 3.605 ( -3.236 -3.140 0.000) 4.509 3.654 ( -1.055 2.645 0.000) 2.848 3.708 ( -5.466 -0.381 0.000) 5.479 3.872 ( -5.142 1.482 0.000) 5.352 3.887 ( -5.540 0.640 0.000) 5.577 6.216 ( 7.113 1.850 0.000) 7.350 6.296 ( -1.480 0.952 0.000) 1.759 6.342 ( 21.372 -5.098 0.000) 21.972 6.548 ( -1.162 2.578 0.000) 2.828 6.719 ( -0.799 2.055 0.000) 2.204 6.871 ( 5.568 2.403 0.000) 6.064 6.951 ( 6.751 -0.826 0.000) 6.802 6.983 ( -0.058 -0.947 0.000) 0.949 7.051 ( -1.461 2.548 0.000) 2.937 7.300 ( -1.105 8.741 0.000) 8.810 7.355 ( 4.124 -0.952 0.000) 4.232 7.442 ( -5.340 -0.487 0.000) 5.362 7.577 ( -4.578 -1.095 0.000) 4.707 7.694 ( 2.222 1.000 0.000) 2.437 7.743 ( 3.757 -2.729 0.000) 4.643 7.881 ( 4.086 3.214 0.000) 5.199 8.521 ( 0.135 -0.816 0.000) 0.827 8.789 ( -3.418 0.033 0.000) 3.418 9.185 ( -0.392 0.249 0.000) 0.464 9.317 ( -0.398 2.593 0.000) 2.623 9.521 ( -6.601 -1.930 0.000) 6.877 9.653 ( -4.195 -2.259 0.000) 4.764 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 18.274 -2.425 0.000) 18.435 1.554 ( 22.365 2.625 0.000) 22.518 1.776 ( 11.904 -1.679 0.000) 12.022 1.850 ( 2.543 -0.243 0.000) 2.555 2.126 ( 0.347 1.204 0.000) 1.253 2.233 ( 0.507 -0.441 0.000) 0.672 2.240 ( 8.085 -3.491 0.000) 8.806 2.347 ( 10.541 4.628 0.000) 11.512 2.437 ( 12.400 5.390 0.000) 13.520 2.573 ( 13.787 -5.598 0.000) 14.880 2.670 ( 7.232 -3.239 0.000) 7.924 2.697 ( 2.511 6.338 0.000) 6.817 2.827 ( 10.641 2.065 0.000) 10.839 3.028 ( 9.463 0.439 0.000) 9.473 3.033 ( 5.276 -0.701 0.000) 5.322 3.085 ( 12.814 1.145 0.000) 12.865 3.104 ( 4.100 0.296 0.000) 4.110 3.180 ( 6.656 -3.774 0.000) 7.651 3.288 ( -4.235 -1.387 0.000) 4.457 3.341 ( -4.327 -1.316 0.000) 4.523 3.485 ( -1.114 0.370 0.000) 1.174 3.531 ( -3.815 0.808 0.000) 3.900 3.576 ( -1.877 -0.029 0.000) 1.878 3.685 ( 0.289 0.280 0.000) 0.402 3.725 ( -5.016 -2.364 0.000) 5.545 3.856 ( -0.674 0.215 0.000) 0.708 6.258 ( 2.212 -1.513 0.000) 2.680 6.305 ( 2.328 -1.155 0.000) 2.599 6.476 ( -3.957 2.538 0.000) 4.701 6.635 ( 1.129 3.047 0.000) 3.250 6.720 ( 2.655 0.058 0.000) 2.656 6.945 ( 2.531 0.716 0.000) 2.631 7.028 ( 3.791 -0.066 0.000) 3.791 7.054 ( 1.974 -0.851 0.000) 2.149 7.144 ( 14.150 3.094 0.000) 14.484 7.243 ( -1.287 5.462 0.000) 5.612 7.364 ( -1.761 0.271 0.000) 1.782 7.410 ( -1.254 -3.185 0.000) 3.423 7.550 ( 3.676 0.174 0.000) 3.680 7.592 ( -8.298 -0.840 0.000) 8.340 7.844 ( 3.297 -0.568 0.000) 3.345 8.006 ( 7.989 1.441 0.000) 8.118 8.492 ( -2.009 5.391 0.000) 5.753 8.699 ( -5.879 -0.055 0.000) 5.879 9.186 ( 0.734 0.371 0.000) 0.822 9.300 ( 0.411 4.677 0.000) 4.695 9.416 ( -5.279 -2.499 0.000) 5.841 9.581 ( -4.724 -3.390 0.000) 5.814 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 14.453 -0.774 0.000) 14.474 1.888 ( 1.360 -0.102 0.000) 1.364 1.917 ( 17.116 4.048 0.000) 17.588 1.957 ( 5.850 -0.513 0.000) 5.872 2.157 ( 3.079 0.987 0.000) 3.233 2.249 ( 1.429 -2.204 0.000) 2.626 2.387 ( 5.992 -0.483 0.000) 6.012 2.466 ( 2.397 8.592 0.000) 8.921 2.521 ( 8.945 5.889 0.000) 10.709 2.683 ( 0.917 8.534 0.000) 8.583 2.755 ( 3.501 -4.358 0.000) 5.591 2.905 ( 5.848 -1.215 0.000) 5.972 2.931 ( 0.968 8.035 0.000) 8.093 3.081 ( 3.283 -1.086 0.000) 3.458 3.111 ( 0.841 -3.108 0.000) 3.220 3.138 ( -1.220 1.160 0.000) 1.684 3.159 ( -6.777 -1.882 0.000) 7.034 3.251 ( 4.190 -1.111 0.000) 4.335 3.272 ( -4.719 -3.237 0.000) 5.723 3.293 ( 3.344 0.008 0.000) 3.344 3.531 ( 0.584 -2.213 0.000) 2.289 3.580 ( 2.610 -9.097 0.000) 9.464 3.649 ( 6.022 0.813 0.000) 6.077 3.721 ( 8.218 -1.819 0.000) 8.417 3.736 ( 5.401 -0.542 0.000) 5.428 3.879 ( 5.527 -0.604 0.000) 5.560 6.323 ( 3.890 1.330 0.000) 4.111 6.370 ( 0.478 1.343 0.000) 1.425 6.414 ( 2.579 1.194 0.000) 2.842 6.589 ( -2.118 1.995 0.000) 2.910 6.751 ( 2.406 1.980 0.000) 3.116 6.965 ( 0.175 0.977 0.000) 0.993 7.032 ( -3.657 -0.745 0.000) 3.733 7.087 ( 1.027 0.250 0.000) 1.057 7.206 ( 1.509 2.576 0.000) 2.985 7.347 ( -1.938 1.169 0.000) 2.263 7.353 ( 0.998 -2.192 0.000) 2.408 7.426 ( 6.735 0.623 0.000) 6.764 7.461 ( -4.063 -2.467 0.000) 4.753 7.673 ( 7.922 0.342 0.000) 7.930 7.864 ( -1.322 -0.305 0.000) 1.356 8.123 ( 2.966 -1.577 0.000) 3.359 8.398 ( -2.498 9.425 0.000) 9.750 8.566 ( -7.862 0.000 0.000) 7.862 9.206 ( 1.374 0.562 0.000) 1.485 9.271 ( -0.471 5.657 0.000) 5.676 9.349 ( -3.189 -2.602 0.000) 4.116 9.514 ( -4.273 -3.730 0.000) 5.672 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 6.933 0.070 0.000) 6.933 1.911 ( 1.700 0.066 0.000) 1.701 2.032 ( 3.141 -0.404 0.000) 3.167 2.158 ( 9.965 4.295 0.000) 10.851 2.196 ( 1.315 0.418 0.000) 1.380 2.335 ( 5.235 -2.390 0.000) 5.755 2.430 ( 0.151 9.314 0.000) 9.315 2.483 ( 3.165 1.512 0.000) 3.508 2.635 ( 5.451 4.186 0.000) 6.873 2.668 ( 3.434 7.606 0.000) 8.345 2.814 ( -5.619 7.741 0.000) 9.565 2.817 ( -0.441 -5.002 0.000) 5.021 2.910 ( 0.367 1.429 0.000) 1.475 3.023 ( -5.800 -4.648 0.000) 7.433 3.086 ( -4.252 0.367 0.000) 4.268 3.096 ( -2.009 -0.422 0.000) 2.053 3.222 ( 2.960 -2.909 0.000) 4.150 3.253 ( 0.699 -2.393 0.000) 2.493 3.321 ( 0.640 1.344 0.000) 1.488 3.359 ( 5.432 -3.285 0.000) 6.348 3.539 ( -0.327 -1.449 0.000) 1.486 3.616 ( -2.380 -9.631 0.000) 9.921 3.674 ( 0.637 1.331 0.000) 1.476 3.787 ( 1.522 5.009 0.000) 5.235 3.980 ( 11.801 -2.939 0.000) 12.161 4.131 ( 13.769 -4.647 0.000) 14.532 6.332 ( -1.008 2.264 0.000) 2.479 6.365 ( 1.747 4.403 0.000) 4.737 6.528 ( 6.998 1.057 0.000) 7.078 6.568 ( 0.874 -0.015 0.000) 0.874 6.813 ( 4.989 1.941 0.000) 5.354 6.934 ( -3.082 0.468 0.000) 3.117 6.962 ( -3.706 -2.250 0.000) 4.336 7.079 ( -0.123 0.334 0.000) 0.356 7.249 ( -0.956 1.491 0.000) 1.771 7.297 ( 2.256 0.301 0.000) 2.276 7.307 ( -4.609 -0.554 0.000) 4.642 7.469 ( 1.962 -2.155 0.000) 2.914 7.533 ( 3.129 0.373 0.000) 3.152 7.805 ( -4.741 -0.494 0.000) 4.767 7.836 ( 8.981 0.138 0.000) 8.982 8.103 ( -4.321 1.583 0.000) 4.602 8.342 ( 0.845 4.696 0.000) 4.771 8.399 ( -9.329 0.184 0.000) 9.330 9.226 ( 0.912 0.527 0.000) 1.054 9.229 ( -0.738 4.259 0.000) 4.323 9.317 ( -1.542 -1.796 0.000) 2.367 9.456 ( -3.579 -2.741 0.000) 4.508 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 0.818 0.202 0.000) 0.843 1.949 ( 0.213 -0.506 0.000) 0.549 2.106 ( 3.347 0.809 0.000) 3.443 2.208 ( -0.085 -0.533 0.000) 0.540 2.250 ( 2.235 3.130 0.000) 3.846 2.383 ( -0.397 2.691 0.000) 2.720 2.440 ( 3.579 -1.484 0.000) 3.874 2.511 ( 0.842 1.414 0.000) 1.645 2.686 ( -3.490 3.420 0.000) 4.886 2.703 ( 3.785 3.116 0.000) 4.902 2.715 ( 2.320 1.481 0.000) 2.753 2.811 ( -1.062 -2.033 0.000) 2.294 2.936 ( -0.640 0.018 0.000) 0.640 2.970 ( 0.820 -2.266 0.000) 2.410 3.013 ( -2.381 0.002 0.000) 2.381 3.041 ( -3.553 -0.472 0.000) 3.585 3.262 ( 0.326 -1.577 0.000) 1.611 3.278 ( 0.587 -0.552 0.000) 0.805 3.320 ( 0.293 1.345 0.000) 1.377 3.448 ( 1.919 -1.389 0.000) 2.369 3.539 ( -0.175 -0.506 0.000) 0.535 3.623 ( -1.128 -5.045 0.000) 5.170 3.678 ( 0.247 0.483 0.000) 0.543 3.779 ( 0.525 3.427 0.000) 3.467 4.152 ( 4.381 -1.135 0.000) 4.525 4.344 ( 5.358 -2.026 0.000) 5.729 6.313 ( -0.160 0.814 0.000) 0.830 6.357 ( 0.021 1.953 0.000) 1.953 6.601 ( 1.562 0.385 0.000) 1.609 6.638 ( 4.199 1.124 0.000) 4.347 6.865 ( -2.957 -0.406 0.000) 2.984 6.884 ( 1.294 0.309 0.000) 1.331 6.940 ( 1.065 -1.325 0.000) 1.700 7.094 ( 1.366 0.072 0.000) 1.368 7.190 ( -2.559 0.354 0.000) 2.583 7.213 ( -3.892 0.505 0.000) 3.925 7.366 ( 2.428 0.154 0.000) 2.433 7.548 ( 5.119 -0.790 0.000) 5.180 7.558 ( 0.231 -0.041 0.000) 0.234 7.695 ( -6.342 -0.215 0.000) 6.345 8.016 ( -2.282 1.750 0.000) 2.876 8.017 ( 9.770 -0.061 0.000) 9.771 8.210 ( -10.013 0.217 0.000) 10.016 8.341 ( 0.202 0.741 0.000) 0.768 9.203 ( -0.183 1.556 0.000) 1.567 9.235 ( 0.239 0.195 0.000) 0.309 9.306 ( -0.425 -0.594 0.000) 0.731 9.414 ( -1.589 -1.028 0.000) 1.893 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 22.095 0.000 0.000) 22.095 1.098 ( 26.834 0.000 0.000) 26.834 1.490 ( 14.170 0.000 0.000) 14.170 1.763 ( 7.302 0.000 0.000) 7.302 1.779 ( 39.606 0.000 0.000) 39.606 2.020 ( 10.877 0.000 0.000) 10.877 2.160 ( -1.684 -0.000 0.000) 1.684 2.192 ( 4.236 0.000 0.000) 4.236 2.209 ( 7.889 0.000 0.000) 7.889 2.472 ( 5.877 0.000 0.000) 5.877 2.532 ( 7.605 0.000 0.000) 7.605 2.618 ( 11.139 0.000 0.000) 11.139 2.669 ( 4.852 0.000 0.000) 4.852 2.783 ( 13.651 0.000 0.000) 13.651 2.810 ( 9.520 0.000 0.000) 9.520 2.932 ( 5.897 0.000 0.000) 5.897 2.965 ( 6.532 0.000 0.000) 6.532 3.155 ( -2.854 -0.000 0.000) 2.854 3.347 ( -3.357 -0.000 0.000) 3.357 3.421 ( -3.871 -0.000 0.000) 3.871 3.515 ( -0.657 -0.000 0.000) 0.657 3.586 ( -1.772 -0.000 0.000) 1.772 3.670 ( 0.974 0.000 0.000) 0.974 3.705 ( -8.019 -0.000 0.000) 8.019 3.874 ( -1.235 -0.000 0.000) 1.235 3.896 ( -10.024 -0.000 0.000) 10.024 6.230 ( -1.437 -0.000 0.000) 1.437 6.301 ( -2.973 -0.000 0.000) 2.973 6.309 ( 30.588 0.000 0.000) 30.588 6.562 ( -2.068 -0.000 0.000) 2.068 6.731 ( -1.080 -0.000 0.000) 1.080 6.887 ( 4.873 0.000 0.000) 4.873 6.945 ( 7.232 0.000 0.000) 7.232 6.976 ( 0.178 0.000 0.000) 0.178 7.067 ( -1.564 -0.000 0.000) 1.564 7.350 ( 3.846 0.000 0.000) 3.846 7.362 ( -1.640 -0.000 0.000) 1.640 7.428 ( -6.346 -0.000 0.000) 6.346 7.570 ( -4.362 -0.000 0.000) 4.362 7.707 ( -2.295 -0.000 0.000) 2.295 7.721 ( 8.171 0.000 0.000) 8.171 7.902 ( 4.066 0.000 0.000) 4.066 8.514 ( 2.124 0.000 0.000) 2.124 8.789 ( -3.450 -0.000 0.000) 3.450 9.187 ( -0.391 -0.000 0.000) 0.391 9.333 ( -0.119 -0.000 0.000) 0.119 9.509 ( -6.477 -0.000 0.000) 6.477 9.640 ( -4.301 -0.000 0.000) 4.301 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 19.250 -0.862 0.000) 19.269 1.578 ( 22.973 1.366 0.000) 23.014 1.762 ( 12.886 -0.619 0.000) 12.901 1.849 ( 2.619 -0.086 0.000) 2.621 2.134 ( -0.449 0.262 0.000) 0.520 2.213 ( 8.875 -1.259 0.000) 8.964 2.231 ( 0.252 -0.067 0.000) 0.261 2.383 ( 11.284 1.594 0.000) 11.396 2.451 ( 26.736 -1.211 0.000) 26.763 2.573 ( 3.898 4.212 0.000) 5.738 2.627 ( 4.228 -4.397 0.000) 6.100 2.748 ( 3.405 2.344 0.000) 4.134 2.842 ( 11.542 0.687 0.000) 11.562 3.021 ( 4.193 -0.526 0.000) 4.226 3.037 ( 8.466 0.318 0.000) 8.472 3.094 ( 14.470 0.425 0.000) 14.476 3.110 ( 2.755 0.566 0.000) 2.813 3.146 ( 9.002 -2.051 0.000) 9.232 3.279 ( -3.703 -0.372 0.000) 3.722 3.331 ( -5.429 -0.480 0.000) 5.450 3.489 ( -2.145 0.217 0.000) 2.155 3.539 ( -4.310 0.431 0.000) 4.331 3.576 ( -2.864 0.041 0.000) 2.865 3.687 ( 0.714 0.092 0.000) 0.720 3.706 ( -7.090 -0.964 0.000) 7.155 3.857 ( -0.278 0.035 0.000) 0.280 6.245 ( 2.848 -0.610 0.000) 2.913 6.295 ( 2.275 -0.532 0.000) 2.337 6.496 ( -3.914 0.928 0.000) 4.023 6.658 ( 2.153 0.999 0.000) 2.374 6.721 ( 2.542 0.039 0.000) 2.542 6.952 ( 2.236 0.339 0.000) 2.262 7.026 ( 4.085 -0.094 0.000) 4.087 7.047 ( 2.449 -0.318 0.000) 2.469 7.175 ( 13.708 1.876 0.000) 13.836 7.295 ( -4.571 3.304 0.000) 5.641 7.358 ( -0.431 -1.169 0.000) 1.246 7.379 ( -2.271 -1.783 0.000) 2.887 7.551 ( 4.081 0.056 0.000) 4.082 7.586 ( -8.465 -0.302 0.000) 8.470 7.839 ( 3.639 -0.223 0.000) 3.646 8.019 ( 6.359 0.624 0.000) 6.389 8.536 ( 0.015 2.111 0.000) 2.111 8.699 ( -5.890 -0.020 0.000) 5.890 9.190 ( 0.837 0.197 0.000) 0.860 9.341 ( 1.163 2.157 0.000) 2.451 9.394 ( -5.421 -1.155 0.000) 5.543 9.550 ( -5.213 -1.692 0.000) 5.480 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 15.200 -0.408 0.000) 15.206 1.886 ( 1.441 -0.091 0.000) 1.444 1.953 ( 5.859 -0.259 0.000) 5.865 1.956 ( 17.154 2.652 0.000) 17.358 2.165 ( 3.964 0.421 0.000) 3.987 2.230 ( 0.220 -1.160 0.000) 1.181 2.378 ( 7.569 -0.679 0.000) 7.599 2.551 ( 3.959 5.672 0.000) 6.917 2.584 ( 6.769 5.365 0.000) 8.637 2.709 ( 3.138 -3.753 0.000) 4.892 2.764 ( 1.200 5.767 0.000) 5.891 2.880 ( 10.157 -3.075 0.000) 10.612 3.011 ( 4.934 5.834 0.000) 7.641 3.052 ( 1.008 -3.136 0.000) 3.294 3.093 ( 2.015 -1.050 0.000) 2.272 3.148 ( -3.926 0.755 0.000) 3.998 3.164 ( -6.964 2.932 0.000) 7.556 3.235 ( -5.823 -3.244 0.000) 6.666 3.239 ( 1.642 -1.042 0.000) 1.945 3.301 ( 5.122 1.544 0.000) 5.350 3.475 ( -0.957 -9.024 0.000) 9.074 3.511 ( 1.107 -1.344 0.000) 1.742 3.658 ( 9.865 0.626 0.000) 9.885 3.705 ( 3.480 -1.048 0.000) 3.635 3.734 ( 8.937 -0.031 0.000) 8.937 3.876 ( 3.068 -0.139 0.000) 3.071 6.334 ( 5.823 0.764 0.000) 5.873 6.381 ( 4.941 0.622 0.000) 4.980 6.425 ( -1.411 0.759 0.000) 1.603 6.606 ( -3.476 0.934 0.000) 3.599 6.771 ( 2.886 1.432 0.000) 3.222 6.974 ( 0.201 0.570 0.000) 0.604 7.025 ( -4.312 -0.490 0.000) 4.339 7.090 ( 1.147 0.175 0.000) 1.161 7.232 ( 0.862 1.868 0.000) 2.057 7.332 ( -0.913 -1.331 0.000) 1.614 7.356 ( -1.932 0.467 0.000) 1.987 7.431 ( 8.972 0.310 0.000) 8.977 7.438 ( -4.884 -1.622 0.000) 5.147 7.676 ( 7.829 0.194 0.000) 7.831 7.861 ( -1.332 -0.187 0.000) 1.345 8.109 ( 2.448 -0.912 0.000) 2.613 8.484 ( -2.746 5.680 0.000) 6.309 8.566 ( -7.791 -0.001 0.000) 7.791 9.213 ( 1.586 0.662 0.000) 1.719 9.321 ( -3.092 -2.174 0.000) 3.780 9.332 ( -0.366 5.077 0.000) 5.090 9.470 ( -4.455 -3.974 0.000) 5.969 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 6.970 0.050 0.000) 6.970 1.910 ( 1.377 -0.124 0.000) 1.382 2.030 ( 4.168 -0.031 0.000) 4.168 2.201 ( 9.731 3.195 0.000) 10.242 2.203 ( 0.398 0.746 0.000) 0.846 2.309 ( 5.707 -2.120 0.000) 6.088 2.499 ( 4.271 1.323 0.000) 4.472 2.531 ( -0.317 8.253 0.000) 8.259 2.682 ( 3.473 3.959 0.000) 5.266 2.748 ( 1.599 5.141 0.000) 5.384 2.768 ( 0.507 -2.338 0.000) 2.392 2.896 ( -7.795 6.743 0.000) 10.307 2.931 ( -0.357 1.940 0.000) 1.972 2.967 ( -6.409 -4.735 0.000) 7.968 3.089 ( -4.768 0.135 0.000) 4.770 3.090 ( -2.489 -0.806 0.000) 2.616 3.192 ( 3.337 -2.348 0.000) 4.080 3.223 ( 2.284 -2.920 0.000) 3.707 3.299 ( 4.033 -4.932 0.000) 6.371 3.354 ( 2.190 1.877 0.000) 2.884 3.509 ( -1.312 -8.474 0.000) 8.575 3.525 ( 0.130 -1.114 0.000) 1.121 3.689 ( 0.283 1.257 0.000) 1.288 3.854 ( 3.812 6.354 0.000) 7.410 3.950 ( 12.460 -2.339 0.000) 12.678 4.075 ( 13.491 -5.477 0.000) 14.560 6.357 ( -1.655 2.124 0.000) 2.693 6.417 ( 2.513 4.688 0.000) 5.319 6.535 ( 7.446 0.260 0.000) 7.451 6.560 ( -0.137 -1.450 0.000) 1.457 6.833 ( 4.453 1.637 0.000) 4.744 6.939 ( -3.646 0.402 0.000) 3.668 6.939 ( -4.122 -1.869 0.000) 4.526 7.084 ( -0.140 0.404 0.000) 0.428 7.261 ( -3.187 0.712 0.000) 3.266 7.299 ( -3.379 -0.739 0.000) 3.458 7.300 ( 3.410 0.356 0.000) 3.429 7.448 ( 2.758 -1.525 0.000) 3.152 7.538 ( 2.629 0.467 0.000) 2.670 7.800 ( -4.808 -0.368 0.000) 4.822 7.837 ( 8.875 0.105 0.000) 8.876 8.109 ( -2.725 -0.047 0.000) 2.725 8.398 ( -2.341 4.707 0.000) 5.257 8.401 ( -9.259 0.132 0.000) 9.260 9.234 ( 0.905 0.946 0.000) 1.309 9.277 ( -1.984 4.429 0.000) 4.853 9.295 ( -1.061 -2.135 0.000) 2.384 9.422 ( -2.821 -3.329 0.000) 4.364 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 0.713 0.246 0.000) 0.754 1.943 ( 0.539 -0.595 0.000) 0.803 2.120 ( 3.441 1.673 0.000) 3.826 2.201 ( -0.141 -0.731 0.000) 0.745 2.293 ( 1.612 3.982 0.000) 4.296 2.419 ( 4.016 -1.981 0.000) 4.478 2.423 ( -4.522 4.725 0.000) 6.541 2.530 ( -0.281 1.919 0.000) 1.939 2.701 ( -1.046 -1.481 0.000) 1.813 2.725 ( -6.302 3.349 0.000) 7.137 2.748 ( 0.234 2.239 0.000) 2.252 2.787 ( 1.020 -2.285 0.000) 2.502 2.925 ( -0.726 -2.008 0.000) 2.135 2.962 ( 3.698 0.943 0.000) 3.816 3.012 ( -2.384 -0.043 0.000) 2.385 3.035 ( -2.986 -0.766 0.000) 3.083 3.242 ( 1.376 -1.828 0.000) 2.288 3.270 ( 1.211 -0.860 0.000) 1.485 3.336 ( -0.334 1.376 0.000) 1.416 3.426 ( 3.172 -2.784 0.000) 4.220 3.533 ( 0.321 -0.552 0.000) 0.638 3.536 ( -0.064 -7.639 0.000) 7.639 3.685 ( -0.189 0.682 0.000) 0.708 3.863 ( 1.856 9.097 0.000) 9.285 4.140 ( 5.594 -1.073 0.000) 5.696 4.311 ( 6.894 -3.813 0.000) 7.879 6.323 ( -1.102 0.825 0.000) 1.377 6.386 ( -1.782 3.059 0.000) 3.540 6.592 ( 0.593 -1.860 0.000) 1.952 6.646 ( 3.166 0.431 0.000) 3.195 6.863 ( -2.695 -0.091 0.000) 2.697 6.887 ( 0.528 0.262 0.000) 0.589 6.931 ( 2.911 -0.401 0.000) 2.939 7.097 ( 1.485 0.464 0.000) 1.555 7.191 ( -3.093 -0.159 0.000) 3.097 7.220 ( -3.799 0.718 0.000) 3.866 7.367 ( 2.159 0.087 0.000) 2.161 7.541 ( 6.027 -0.372 0.000) 6.038 7.556 ( 0.048 -0.253 0.000) 0.258 7.691 ( -6.211 -0.430 0.000) 6.226 8.016 ( 9.672 -0.039 0.000) 9.672 8.033 ( -3.531 1.300 0.000) 3.762 8.212 ( -10.061 0.188 0.000) 10.063 8.352 ( -0.955 1.135 0.000) 1.483 9.221 ( -1.908 1.668 0.000) 2.534 9.238 ( 0.060 0.463 0.000) 0.466 9.297 ( 0.157 -0.997 0.000) 1.009 9.401 ( -0.448 -1.232 0.000) 1.311 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -0.888 -0.158 0.000) 0.902 1.954 ( -0.084 0.267 0.000) 0.280 2.103 ( -3.412 0.235 0.000) 3.420 2.213 ( 0.283 0.385 0.000) 0.478 2.231 ( -4.965 -0.241 0.000) 4.970 2.358 ( -2.663 -1.974 0.000) 3.315 2.450 ( -2.339 0.255 0.000) 2.353 2.500 ( -1.879 -0.427 0.000) 1.927 2.651 ( -5.346 -5.039 0.000) 7.346 2.653 ( 0.070 -2.429 0.000) 2.430 2.700 ( -5.274 -2.245 0.000) 5.732 2.833 ( 3.278 1.817 0.000) 3.747 2.937 ( -0.234 0.286 0.000) 0.369 2.994 ( 1.189 1.576 0.000) 1.974 3.012 ( 2.309 -0.043 0.000) 2.310 3.049 ( 4.364 1.145 0.000) 4.512 3.273 ( 1.249 0.231 0.000) 1.270 3.282 ( -0.036 0.145 0.000) 0.149 3.310 ( -1.620 -0.133 0.000) 1.625 3.459 ( -0.581 0.481 0.000) 0.754 3.544 ( 0.681 0.264 0.000) 0.730 3.598 ( 2.049 -6.517 0.000) 6.832 3.675 ( -0.666 -0.095 0.000) 0.673 3.831 ( 0.482 9.572 0.000) 9.584 4.164 ( -3.188 0.920 0.000) 3.318 4.355 ( -3.646 -0.008 0.000) 3.646 6.305 ( -0.615 -0.614 0.000) 0.869 6.343 ( -1.854 -0.714 0.000) 1.987 6.586 ( -1.905 -2.057 0.000) 2.804 6.622 ( -5.088 -1.555 0.000) 5.320 6.871 ( 2.927 0.587 0.000) 2.985 6.879 ( -2.661 -0.435 0.000) 2.696 6.959 ( 0.878 1.892 0.000) 2.086 7.096 ( -1.443 0.527 0.000) 1.536 7.183 ( 2.095 -0.958 0.000) 2.303 7.209 ( 3.552 -0.090 0.000) 3.553 7.364 ( -2.710 -0.196 0.000) 2.717 7.557 ( -0.207 -0.222 0.000) 0.304 7.558 ( -4.275 1.103 0.000) 4.415 7.695 ( 6.761 -0.181 0.000) 6.763 7.996 ( 0.174 -1.712 0.000) 1.721 8.017 ( -9.880 0.071 0.000) 9.881 8.207 ( 9.965 -0.195 0.000) 9.966 8.336 ( -0.810 -0.166 0.000) 0.826 9.188 ( -1.367 -1.166 0.000) 1.797 9.234 ( -0.379 0.043 0.000) 0.382 9.310 ( 0.951 0.109 0.000) 0.957 9.423 ( 2.534 0.666 0.000) 2.620 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -6.947 -0.051 0.000) 6.948 1.909 ( -1.820 -0.378 0.000) 1.859 2.039 ( -2.451 0.899 0.000) 2.610 2.109 ( -10.154 -4.281 0.000) 11.020 2.193 ( -2.054 -0.102 0.000) 2.056 2.331 ( -2.540 -8.268 0.000) 8.649 2.361 ( -4.691 2.321 0.000) 5.234 2.467 ( -2.335 -1.450 0.000) 2.749 2.585 ( -4.971 -6.991 0.000) 8.578 2.591 ( -6.483 -3.598 0.000) 7.415 2.729 ( 3.809 -7.393 0.000) 8.316 2.874 ( 0.596 5.012 0.000) 5.048 2.901 ( -0.247 -0.131 0.000) 0.280 3.050 ( 3.768 -0.350 0.000) 3.784 3.081 ( 3.738 -0.507 0.000) 3.773 3.116 ( 3.827 3.730 0.000) 5.344 3.252 ( -2.752 2.161 0.000) 3.499 3.275 ( 0.304 1.587 0.000) 1.616 3.304 ( -0.045 -1.254 0.000) 1.255 3.396 ( -4.775 3.046 0.000) 5.663 3.555 ( 0.848 1.282 0.000) 1.537 3.661 ( -0.960 -0.942 0.000) 1.345 3.668 ( 2.090 -2.400 0.000) 3.183 3.788 ( 0.156 6.918 0.000) 6.920 4.013 ( -11.066 2.812 0.000) 11.418 4.177 ( -13.270 3.439 0.000) 13.708 6.310 ( 0.626 -1.606 0.000) 1.724 6.321 ( -1.690 -3.387 0.000) 3.785 6.511 ( -6.806 -1.892 0.000) 7.064 6.562 ( -1.115 -1.046 0.000) 1.529 6.791 ( -5.451 -1.835 0.000) 5.751 6.929 ( 2.398 -0.423 0.000) 2.435 6.987 ( 3.006 2.166 0.000) 3.704 7.077 ( 0.141 0.090 0.000) 0.167 7.229 ( -0.534 -1.980 0.000) 2.051 7.293 ( -1.859 -0.405 0.000) 1.902 7.309 ( 5.468 -0.130 0.000) 5.470 7.495 ( -1.272 2.426 0.000) 2.739 7.531 ( -3.301 0.036 0.000) 3.302 7.811 ( 4.709 0.488 0.000) 4.734 7.834 ( -9.106 -0.131 0.000) 9.107 8.068 ( 4.973 -4.607 0.000) 6.779 8.304 ( -3.393 -1.896 0.000) 3.887 8.397 ( 9.406 -0.194 0.000) 9.408 9.184 ( -0.380 -3.631 0.000) 3.651 9.222 ( -0.947 -0.234 0.000) 0.976 9.334 ( 2.001 1.187 0.000) 2.327 9.482 ( 4.131 2.063 0.000) 4.618 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -13.366 1.037 0.000) 13.406 1.873 ( -16.359 -3.652 0.000) 16.762 1.888 ( -1.187 -0.029 0.000) 1.187 1.964 ( -5.766 0.739 0.000) 5.813 2.143 ( -3.248 -1.370 0.000) 3.525 2.277 ( -2.106 2.699 0.000) 3.423 2.339 ( -2.484 -9.510 0.000) 9.829 2.414 ( -4.108 -0.595 0.000) 4.150 2.457 ( -8.856 -5.009 0.000) 10.174 2.580 ( -1.804 -9.488 0.000) 9.658 2.800 ( -3.989 3.353 0.000) 5.211 2.838 ( 1.155 -8.397 0.000) 8.476 2.917 ( -1.770 1.666 0.000) 2.430 3.081 ( -3.110 -0.950 0.000) 3.252 3.123 ( -0.085 -1.426 0.000) 1.428 3.152 ( -2.596 3.491 0.000) 4.351 3.194 ( 5.074 4.000 0.000) 6.461 3.264 ( -4.379 1.317 0.000) 4.573 3.303 ( -1.852 1.789 0.000) 2.575 3.305 ( 4.148 2.566 0.000) 4.878 3.557 ( 0.104 2.331 0.000) 2.333 3.640 ( -3.386 -0.794 0.000) 3.478 3.655 ( -6.593 3.237 0.000) 7.344 3.745 ( -11.853 2.508 0.000) 12.115 3.760 ( -0.080 4.466 0.000) 4.467 3.891 ( -9.201 1.533 0.000) 9.328 6.306 ( -1.568 -1.546 0.000) 2.202 6.352 ( 2.608 -1.776 0.000) 3.156 6.399 ( -5.235 -1.475 0.000) 5.439 6.562 ( 0.034 -2.953 0.000) 2.953 6.730 ( -1.655 -1.649 0.000) 2.336 6.953 ( -0.200 -1.181 0.000) 1.198 7.041 ( 2.983 0.788 0.000) 3.085 7.085 ( -1.144 -0.100 0.000) 1.149 7.178 ( -1.798 -2.316 0.000) 2.932 7.330 ( 1.322 -1.867 0.000) 2.288 7.379 ( -3.455 2.408 0.000) 4.211 7.418 ( -3.625 -0.885 0.000) 3.732 7.490 ( 3.384 2.668 0.000) 4.309 7.669 ( -8.067 -0.407 0.000) 8.078 7.867 ( 1.260 0.280 0.000) 1.291 8.142 ( -3.307 1.760 0.000) 3.746 8.284 ( 2.087 -10.589 0.000) 10.793 8.566 ( 7.966 -0.003 0.000) 7.966 9.201 ( -1.280 -0.332 0.000) 1.323 9.209 ( 0.199 -5.306 0.000) 5.310 9.376 ( 3.358 2.058 0.000) 3.938 9.552 ( 4.425 3.033 0.000) 5.365 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -16.559 3.541 0.000) 16.933 1.531 ( -20.305 -1.019 0.000) 20.331 1.798 ( -10.288 2.329 0.000) 10.549 1.854 ( -2.425 0.323 0.000) 2.446 2.105 ( -1.479 -2.564 0.000) 2.960 2.241 ( -1.311 0.874 0.000) 1.576 2.285 ( -9.006 -3.794 0.000) 9.772 2.288 ( -7.676 2.318 0.000) 8.018 2.355 ( -5.736 -8.320 0.000) 10.105 2.600 ( -2.454 -9.851 0.000) 10.152 2.663 ( -12.747 8.038 0.000) 15.069 2.711 ( -10.476 4.101 0.000) 11.250 2.797 ( -8.874 -3.299 0.000) 9.468 3.015 ( -8.969 -1.471 0.000) 9.089 3.044 ( -6.311 0.787 0.000) 6.360 3.069 ( -10.227 -1.622 0.000) 10.355 3.108 ( -7.412 1.243 0.000) 7.516 3.224 ( -3.473 3.797 0.000) 5.146 3.309 ( 2.683 2.125 0.000) 3.423 3.359 ( 2.513 2.044 0.000) 3.239 3.483 ( -0.967 0.001 0.000) 0.967 3.525 ( 3.229 -0.129 0.000) 3.231 3.577 ( 0.694 0.282 0.000) 0.749 3.681 ( 0.335 -0.440 0.000) 0.553 3.754 ( 2.041 2.702 0.000) 3.386 3.852 ( 1.189 -0.566 0.000) 1.317 6.276 ( -1.323 1.716 0.000) 2.167 6.316 ( -2.676 0.539 0.000) 2.730 6.443 ( 4.007 -3.222 0.000) 5.141 6.591 ( -0.350 -4.851 0.000) 4.864 6.720 ( -1.966 -0.096 0.000) 1.968 6.937 ( -2.537 -0.682 0.000) 2.627 7.027 ( -3.503 -0.198 0.000) 3.509 7.065 ( -0.922 1.051 0.000) 1.398 7.117 ( -15.818 -1.493 0.000) 15.888 7.181 ( -1.955 -5.374 0.000) 5.718 7.351 ( 1.753 -2.109 0.000) 2.743 7.443 ( 0.507 2.581 0.000) 2.630 7.547 ( -2.977 -0.337 0.000) 2.996 7.604 ( 7.916 1.192 0.000) 8.005 7.851 ( -2.759 0.614 0.000) 2.826 7.990 ( -9.809 -1.286 0.000) 9.892 8.422 ( 4.861 -6.943 0.000) 8.476 8.700 ( 5.857 0.079 0.000) 5.857 9.182 ( -0.666 -0.315 0.000) 0.737 9.244 ( 0.255 -5.237 0.000) 5.243 9.444 ( 5.122 2.387 0.000) 5.651 9.620 ( 4.512 3.431 0.000) 5.669 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -18.385 7.108 0.000) 19.711 1.109 ( -22.361 3.947 0.000) 22.707 1.561 ( -11.337 5.649 0.000) 12.667 1.779 ( -5.838 1.136 0.000) 5.947 1.994 ( -30.451 13.759 0.000) 33.416 2.087 ( -12.457 6.149 0.000) 13.892 2.115 ( 0.467 -3.794 0.000) 3.823 2.131 ( -8.394 -5.390 0.000) 9.976 2.186 ( -4.891 -0.600 0.000) 4.927 2.423 ( -4.528 -3.458 0.000) 5.698 2.520 ( -10.509 -0.461 0.000) 10.519 2.574 ( -14.216 -3.202 0.000) 14.572 2.600 ( -3.850 -5.688 0.000) 6.869 2.775 ( -8.847 -1.943 0.000) 9.058 2.817 ( -10.814 2.566 0.000) 11.114 2.920 ( -7.024 -1.272 0.000) 7.138 3.061 ( -2.798 1.330 0.000) 3.098 3.129 ( -1.548 2.860 0.000) 3.252 3.335 ( 1.300 -0.437 0.000) 1.371 3.430 ( 4.113 0.148 0.000) 4.115 3.509 ( 1.067 -0.555 0.000) 1.203 3.618 ( 1.598 -3.299 0.000) 3.666 3.647 ( 6.004 3.897 0.000) 7.157 3.712 ( 3.461 0.345 0.000) 3.478 3.831 ( 5.672 -4.918 0.000) 7.507 3.891 ( 2.745 0.725 0.000) 2.839 6.197 ( -13.536 -1.408 0.000) 13.609 6.278 ( -2.583 -2.267 0.000) 3.437 6.407 ( -13.093 6.155 0.000) 14.468 6.506 ( -1.318 -4.834 0.000) 5.010 6.690 ( 0.376 -2.858 0.000) 2.883 6.845 ( -6.109 -1.920 0.000) 6.403 6.953 ( -4.752 -1.250 0.000) 4.913 6.992 ( 0.322 0.479 0.000) 0.577 7.027 ( -0.002 -0.750 0.000) 0.750 7.195 ( -0.073 -9.579 0.000) 9.579 7.368 ( -4.580 1.217 0.000) 4.739 7.429 ( 4.084 -2.442 0.000) 4.758 7.591 ( 4.974 1.337 0.000) 5.151 7.688 ( -3.269 -0.108 0.000) 3.271 7.775 ( -3.211 2.861 0.000) 4.300 7.847 ( -2.416 -2.397 0.000) 3.404 8.522 ( 3.151 -1.010 0.000) 3.309 8.788 ( 3.326 -0.067 0.000) 3.327 9.182 ( 0.387 -0.328 0.000) 0.507 9.280 ( 1.008 -3.861 0.000) 3.991 9.546 ( 6.646 2.286 0.000) 7.029 9.685 ( 4.069 3.276 0.000) 5.225 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -17.501 12.795 0.000) 21.679 0.644 ( -19.654 13.625 0.000) 23.914 1.203 ( -36.954 25.260 0.000) 44.762 1.328 ( -7.883 8.545 0.000) 11.626 1.576 ( -12.839 4.024 0.000) 13.455 1.832 ( -10.557 2.647 0.000) 10.884 2.048 ( -3.148 -5.858 0.000) 6.650 2.090 ( -3.927 -1.707 0.000) 4.282 2.156 ( 1.354 -3.669 0.000) 3.911 2.291 ( -11.488 -2.695 0.000) 11.800 2.376 ( -3.169 -1.616 0.000) 3.557 2.377 ( -8.165 -6.180 0.000) 10.240 2.585 ( 0.514 -2.814 0.000) 2.861 2.674 ( -2.819 3.774 0.000) 4.710 2.697 ( -2.059 -1.203 0.000) 2.384 2.791 ( -7.143 -1.807 0.000) 7.368 2.968 ( -1.909 7.817 0.000) 8.047 3.150 ( 0.991 -5.411 0.000) 5.501 3.370 ( 1.949 -1.294 0.000) 2.339 3.485 ( 1.706 0.555 0.000) 1.794 3.529 ( 1.142 0.260 0.000) 1.171 3.642 ( -0.166 -1.683 0.000) 1.691 3.692 ( 2.385 6.450 0.000) 6.877 3.804 ( 4.098 -3.101 0.000) 5.139 3.941 ( 4.695 3.258 0.000) 5.715 3.988 ( 4.857 -7.247 0.000) 8.724 5.691 ( -27.449 0.797 0.000) 27.461 6.114 ( -27.716 -23.585 0.000) 36.393 6.352 ( 4.119 6.801 0.000) 7.951 6.491 ( 0.371 -5.975 0.000) 5.987 6.683 ( -3.925 -4.332 0.000) 5.846 6.775 ( -2.138 1.677 0.000) 2.718 6.852 ( -3.031 3.543 0.000) 4.663 7.040 ( 4.425 0.395 0.000) 4.443 7.090 ( 2.948 -4.005 0.000) 4.973 7.272 ( 1.825 -9.507 0.000) 9.680 7.293 ( -2.445 0.827 0.000) 2.581 7.507 ( 1.882 -2.226 0.000) 2.915 7.551 ( -7.045 -0.367 0.000) 7.054 7.668 ( 3.324 1.868 0.000) 3.813 7.671 ( -4.659 2.287 0.000) 5.190 7.898 ( 2.965 0.305 0.000) 2.981 8.572 ( 4.094 4.717 0.000) 6.246 8.833 ( 1.329 -0.210 0.000) 1.345 9.196 ( 0.657 -0.286 0.000) 0.717 9.323 ( 1.355 -2.666 0.000) 2.990 9.664 ( 6.843 2.831 0.000) 7.405 9.732 ( 2.431 2.877 0.000) 3.767 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.258 ( 0.000 22.683 0.000) 22.683 0.338 ( 0.000 30.028 0.000) 30.028 0.461 ( 0.000 41.149 0.000) 41.149 1.197 ( 0.000 8.230 0.000) 8.230 1.390 ( 0.000 3.962 0.000) 3.962 1.709 ( 0.000 1.221 0.000) 1.221 2.063 ( -0.000 -5.707 0.000) 5.707 2.066 ( -0.000 -1.561 0.000) 1.561 2.148 ( 0.000 0.071 0.000) 0.071 2.187 ( -0.000 -1.623 0.000) 1.623 2.334 ( -0.000 -6.744 0.000) 6.744 2.351 ( -0.000 -1.336 0.000) 1.336 2.634 ( -0.000 -0.084 0.000) 0.084 2.634 ( 0.000 3.139 0.000) 3.139 2.677 ( -0.000 -0.829 0.000) 0.829 2.699 ( -0.000 -1.327 0.000) 1.327 2.927 ( 0.000 4.415 0.000) 4.415 3.194 ( -0.000 -4.350 0.000) 4.350 3.430 ( -0.000 -3.783 0.000) 3.783 3.498 ( 0.000 0.293 0.000) 0.293 3.540 ( 0.000 0.684 0.000) 0.684 3.644 ( -0.000 -0.405 0.000) 0.405 3.677 ( 0.000 6.884 0.000) 6.884 3.868 ( -0.000 -3.635 0.000) 3.635 4.074 ( -0.000 -5.577 0.000) 5.577 4.103 ( -0.000 -1.302 0.000) 1.302 5.326 ( 0.000 2.014 0.000) 2.014 5.382 ( 0.000 1.834 0.000) 1.834 6.374 ( 0.000 6.275 0.000) 6.275 6.567 ( -0.000 -8.330 0.000) 8.330 6.650 ( -0.000 -6.902 0.000) 6.902 6.728 ( 0.000 5.572 0.000) 5.572 6.805 ( 0.000 5.242 0.000) 5.242 7.096 ( -0.000 -0.375 0.000) 0.375 7.144 ( -0.000 -3.598 0.000) 3.598 7.266 ( 0.000 0.606 0.000) 0.606 7.335 ( -0.000 -5.159 0.000) 5.159 7.469 ( 0.000 0.150 0.000) 0.150 7.560 ( 0.000 0.462 0.000) 0.462 7.585 ( 0.000 0.385 0.000) 0.385 7.690 ( 0.000 1.777 0.000) 1.777 7.919 ( 0.000 1.032 0.000) 1.032 8.657 ( -0.000 -0.174 0.000) 0.174 8.846 ( -0.000 -0.196 0.000) 0.196 9.204 ( -0.000 -0.163 0.000) 0.163 9.351 ( -0.000 -1.873 0.000) 1.873 9.742 ( 0.000 2.181 0.000) 2.181 9.773 ( -0.000 -0.565 0.000) 0.565 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 15.466 0.000 0.000) 15.466 1.886 ( 1.461 0.000 0.000) 1.461 1.951 ( 5.850 0.000 0.000) 5.850 1.972 ( 17.070 0.000 0.000) 17.070 2.167 ( 4.702 0.000 0.000) 4.702 2.224 ( -0.580 -0.000 0.000) 0.580 2.374 ( 8.118 0.000 0.000) 8.118 2.581 ( 6.702 0.000 0.000) 6.702 2.626 ( 3.194 0.000 0.000) 3.194 2.681 ( 3.047 0.000 0.000) 3.047 2.802 ( 1.531 0.000 0.000) 1.531 2.855 ( 11.876 0.000 0.000) 11.876 3.032 ( 0.149 0.000 0.000) 0.149 3.047 ( 8.929 0.000 0.000) 8.929 3.086 ( 2.432 0.000 0.000) 2.432 3.153 ( -7.432 -0.000 0.000) 7.432 3.193 ( -3.113 -0.000 0.000) 3.113 3.212 ( -6.261 -0.000 0.000) 6.261 3.229 ( -2.405 -0.000 0.000) 2.405 3.319 ( 6.098 0.000 0.000) 6.098 3.410 ( -2.831 -0.000 0.000) 2.831 3.503 ( 1.290 0.000 0.000) 1.290 3.662 ( 12.629 0.000 0.000) 12.629 3.698 ( 0.375 0.000 0.000) 0.375 3.734 ( 9.926 0.000 0.000) 9.926 3.875 ( 2.260 0.000 0.000) 2.260 6.339 ( 6.581 0.000 0.000) 6.581 6.385 ( 6.853 0.000 0.000) 6.853 6.429 ( -3.118 -0.000 0.000) 3.118 6.611 ( -3.920 -0.000 0.000) 3.920 6.779 ( 3.055 0.000 0.000) 3.055 6.977 ( 0.216 0.000 0.000) 0.216 7.022 ( -4.612 -0.000 0.000) 4.612 7.091 ( 1.223 0.000 0.000) 1.223 7.243 ( 0.529 0.000 0.000) 0.529 7.325 ( -1.632 -0.000 0.000) 1.632 7.359 ( -1.687 -0.000 0.000) 1.687 7.428 ( -5.383 -0.000 0.000) 5.383 7.433 ( 9.781 0.000 0.000) 9.781 7.677 ( 7.796 0.000 0.000) 7.796 7.860 ( -1.332 -0.000 0.000) 1.332 8.104 ( 2.245 0.000 0.000) 2.245 8.517 ( -2.877 -0.000 0.000) 2.877 8.566 ( -7.766 -0.000 0.000) 7.766 9.218 ( 1.782 0.000 0.000) 1.782 9.308 ( -3.138 -0.000 0.000) 3.138 9.369 ( 0.685 0.000 0.000) 0.685 9.439 ( -5.531 -0.000 0.000) 5.531 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 7.021 0.017 0.000) 7.021 1.909 ( 1.108 -0.076 0.000) 1.110 2.030 ( 4.919 0.035 0.000) 4.919 2.211 ( -0.569 0.496 0.000) 0.755 2.226 ( 9.511 1.181 0.000) 9.584 2.291 ( 6.312 -0.988 0.000) 6.389 2.510 ( 5.333 0.577 0.000) 5.364 2.603 ( 0.298 3.993 0.000) 4.004 2.714 ( 1.573 0.970 0.000) 1.848 2.727 ( 0.702 -1.358 0.000) 1.529 2.817 ( 1.768 3.909 0.000) 4.291 2.913 ( -2.852 -3.082 0.000) 4.199 2.955 ( -10.180 3.132 0.000) 10.651 2.961 ( -6.894 1.658 0.000) 7.091 3.079 ( -3.069 -0.805 0.000) 3.173 3.089 ( -5.171 -0.062 0.000) 5.171 3.175 ( 2.275 -0.441 0.000) 2.318 3.195 ( 4.436 -1.662 0.000) 4.737 3.243 ( 5.946 -3.882 0.000) 7.101 3.377 ( 1.093 1.865 0.000) 2.162 3.439 ( 1.076 -3.844 0.000) 3.992 3.516 ( 0.402 -0.411 0.000) 0.575 3.700 ( -0.028 0.540 0.000) 0.540 3.921 ( 4.900 5.262 0.000) 7.191 3.931 ( 12.927 -0.921 0.000) 12.959 4.014 ( 13.555 -4.946 0.000) 14.429 6.375 ( -2.259 0.907 0.000) 2.435 6.463 ( 5.009 3.054 0.000) 5.867 6.536 ( 7.914 -0.039 0.000) 7.914 6.539 ( -2.872 -1.863 0.000) 3.423 6.847 ( 4.161 0.727 0.000) 4.224 6.923 ( -4.298 -0.811 0.000) 4.374 6.942 ( -3.972 0.163 0.000) 3.975 7.087 ( -0.147 0.171 0.000) 0.226 7.265 ( -4.613 0.142 0.000) 4.615 7.293 ( -2.534 -0.328 0.000) 2.555 7.304 ( 4.107 0.215 0.000) 4.113 7.436 ( 3.358 -0.565 0.000) 3.405 7.542 ( 2.257 0.202 0.000) 2.266 7.797 ( -4.860 -0.136 0.000) 4.862 7.838 ( 8.815 0.039 0.000) 8.815 8.107 ( -1.849 -0.162 0.000) 1.856 8.402 ( -9.217 0.048 0.000) 9.217 8.436 ( -4.162 1.906 0.000) 4.577 9.247 ( 1.136 1.232 0.000) 1.676 9.272 ( -0.945 -1.735 0.000) 1.976 9.324 ( -3.806 3.561 0.000) 5.212 9.384 ( -1.282 -3.159 0.000) 3.410 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 0.470 0.277 0.000) 0.545 1.937 ( 0.998 -0.496 0.000) 1.115 2.141 ( 4.164 1.806 0.000) 4.538 2.191 ( -0.868 -0.961 0.000) 1.295 2.328 ( 2.065 2.061 0.000) 2.918 2.399 ( 4.068 -1.421 0.000) 4.308 2.490 ( -8.287 6.867 0.000) 10.762 2.550 ( -1.177 1.512 0.000) 1.916 2.682 ( -4.141 -1.620 0.000) 4.447 2.735 ( -2.516 -4.349 0.000) 5.024 2.756 ( -8.326 2.102 0.000) 8.587 2.777 ( 0.892 0.362 0.000) 0.962 2.908 ( 3.515 -0.756 0.000) 3.596 2.978 ( 2.955 1.516 0.000) 3.321 3.012 ( -2.323 -0.051 0.000) 2.324 3.025 ( -2.044 -0.837 0.000) 2.209 3.225 ( 2.232 -1.224 0.000) 2.545 3.261 ( 1.816 -0.693 0.000) 1.944 3.348 ( 0.361 0.693 0.000) 0.781 3.385 ( 2.565 -3.767 0.000) 4.558 3.480 ( 1.541 -2.540 0.000) 2.970 3.528 ( 0.662 -0.345 0.000) 0.746 3.691 ( -0.525 0.489 0.000) 0.718 3.957 ( 2.472 7.212 0.000) 7.624 4.130 ( 6.519 -0.663 0.000) 6.553 4.265 ( 8.302 -4.118 0.000) 9.267 6.331 ( -1.907 0.538 0.000) 1.981 6.422 ( -3.624 3.216 0.000) 4.845 6.564 ( 0.226 -2.874 0.000) 2.883 6.649 ( 2.329 0.017 0.000) 2.329 6.863 ( -2.347 0.062 0.000) 2.347 6.890 ( 0.622 0.241 0.000) 0.667 6.929 ( 3.716 0.003 0.000) 3.716 7.103 ( 1.777 0.445 0.000) 1.831 7.188 ( -3.606 -0.298 0.000) 3.618 7.227 ( -3.476 0.530 0.000) 3.516 7.368 ( 1.972 0.036 0.000) 1.972 7.539 ( 6.733 -0.095 0.000) 6.733 7.553 ( -0.215 -0.237 0.000) 0.320 7.687 ( -6.283 -0.334 0.000) 6.292 8.016 ( 9.606 -0.017 0.000) 9.606 8.044 ( -3.941 0.648 0.000) 3.994 8.214 ( -10.096 0.110 0.000) 10.096 8.364 ( -2.181 0.873 0.000) 2.349 9.238 ( -3.529 1.195 0.000) 3.726 9.244 ( -0.271 0.581 0.000) 0.641 9.285 ( 0.813 -0.972 0.000) 1.267 9.388 ( 0.748 -0.950 0.000) 1.209 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -0.946 -0.105 0.000) 0.952 1.955 ( -0.144 0.061 0.000) 0.156 2.110 ( -3.519 0.800 0.000) 3.608 2.216 ( 0.577 0.208 0.000) 0.614 2.243 ( -8.738 2.273 0.000) 9.028 2.337 ( -4.920 -1.751 0.000) 5.222 2.446 ( -0.631 -0.707 0.000) 0.948 2.501 ( -2.672 0.498 0.000) 2.718 2.598 ( -5.863 -4.113 0.000) 7.162 2.634 ( -3.244 -1.111 0.000) 3.429 2.666 ( -6.059 -3.561 0.000) 7.028 2.851 ( 5.166 1.461 0.000) 5.368 2.940 ( -0.301 0.227 0.000) 0.377 3.004 ( 0.368 0.541 0.000) 0.654 3.012 ( 2.211 -0.052 0.000) 2.212 3.067 ( 5.854 1.717 0.000) 6.101 3.271 ( 1.938 -0.341 0.000) 1.968 3.282 ( 0.426 -0.075 0.000) 0.432 3.315 ( -1.967 0.665 0.000) 2.076 3.453 ( 0.982 -1.783 0.000) 2.035 3.533 ( 2.548 -3.963 0.000) 4.712 3.546 ( 1.047 0.055 0.000) 1.048 3.675 ( -0.968 0.138 0.000) 0.978 3.938 ( 0.248 8.696 0.000) 8.700 4.172 ( -2.262 0.570 0.000) 2.333 4.346 ( -1.872 -1.471 0.000) 2.381 6.300 ( -1.087 -0.355 0.000) 1.144 6.340 ( -3.614 0.143 0.000) 3.617 6.560 ( -1.384 -2.276 0.000) 2.664 6.606 ( -5.714 -1.339 0.000) 5.868 6.875 ( -3.702 -0.379 0.000) 3.722 6.877 ( 2.704 0.482 0.000) 2.747 6.979 ( 2.006 1.510 0.000) 2.510 7.105 ( -1.714 1.039 0.000) 2.005 7.169 ( 1.869 -1.346 0.000) 2.303 7.210 ( 2.904 0.201 0.000) 2.911 7.362 ( -2.936 -0.165 0.000) 2.940 7.554 ( -0.012 -0.319 0.000) 0.319 7.571 ( -3.730 1.040 0.000) 3.872 7.692 ( 7.345 -0.444 0.000) 7.358 7.980 ( -2.046 -1.182 0.000) 2.363 8.018 ( -9.976 0.058 0.000) 9.976 8.206 ( 9.926 -0.132 0.000) 9.927 8.336 ( -0.961 0.145 0.000) 0.972 9.177 ( -2.562 -0.693 0.000) 2.654 9.235 ( -0.526 0.162 0.000) 0.551 9.309 ( 1.404 -0.178 0.000) 1.415 9.429 ( 3.241 0.336 0.000) 3.259 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -7.048 0.015 0.000) 7.048 1.903 ( -1.669 -0.544 0.000) 1.755 2.051 ( -2.307 1.092 0.000) 2.552 2.066 ( -10.484 -3.322 0.000) 10.997 2.193 ( -2.627 0.029 0.000) 2.627 2.251 ( -5.426 -6.020 0.000) 8.105 2.386 ( -3.904 2.113 0.000) 4.439 2.451 ( -2.870 -1.223 0.000) 3.119 2.515 ( -5.462 -5.437 0.000) 7.707 2.557 ( -6.399 -2.507 0.000) 6.873 2.653 ( 2.271 -6.083 0.000) 6.493 2.903 ( -2.135 0.903 0.000) 2.318 2.930 ( 3.174 4.442 0.000) 5.459 3.030 ( 1.902 -2.585 0.000) 3.210 3.076 ( 3.274 -0.499 0.000) 3.311 3.162 ( 5.362 3.842 0.000) 6.596 3.263 ( -3.056 0.038 0.000) 3.056 3.289 ( 1.000 0.938 0.000) 1.371 3.303 ( 1.123 1.188 0.000) 1.635 3.424 ( -3.833 1.889 0.000) 4.274 3.567 ( 1.309 0.770 0.000) 1.518 3.618 ( 2.882 -5.065 0.000) 5.827 3.654 ( -1.247 -0.396 0.000) 1.309 3.881 ( -0.879 8.137 0.000) 8.184 4.041 ( -10.333 2.151 0.000) 10.554 4.207 ( -11.999 2.056 0.000) 12.174 6.291 ( -1.898 -2.117 0.000) 2.843 6.297 ( 0.628 -0.652 0.000) 0.905 6.488 ( -6.962 -2.241 0.000) 7.314 6.548 ( -1.110 -1.402 0.000) 1.788 6.773 ( -5.690 -1.399 0.000) 5.860 6.924 ( 1.743 -0.335 0.000) 1.775 7.009 ( 2.277 1.725 0.000) 2.857 7.082 ( 0.255 0.649 0.000) 0.697 7.206 ( -1.217 -2.076 0.000) 2.406 7.288 ( -2.119 -0.463 0.000) 2.169 7.304 ( 5.545 -0.703 0.000) 5.590 7.521 ( -0.749 2.263 0.000) 2.384 7.533 ( -2.937 0.368 0.000) 2.960 7.816 ( 4.754 0.371 0.000) 4.768 7.833 ( -9.215 -0.092 0.000) 9.215 8.008 ( 3.451 -5.606 0.000) 6.583 8.296 ( -3.785 0.144 0.000) 3.788 8.395 ( 9.471 -0.159 0.000) 9.472 9.149 ( -1.310 -2.636 0.000) 2.943 9.220 ( -1.004 -0.058 0.000) 1.005 9.344 ( 2.373 0.611 0.000) 2.450 9.502 ( 4.554 1.371 0.000) 4.756 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -12.151 1.111 0.000) 12.201 1.842 ( -14.372 -1.667 0.000) 14.468 1.887 ( -0.947 -0.241 0.000) 0.977 1.973 ( -5.604 0.853 0.000) 5.668 2.127 ( -4.179 -1.423 0.000) 4.415 2.225 ( -2.430 -10.497 0.000) 10.775 2.307 ( -2.639 2.571 0.000) 3.684 2.380 ( -7.400 -4.635 0.000) 8.731 2.431 ( -4.300 -1.867 0.000) 4.688 2.486 ( -3.614 -5.919 0.000) 6.935 2.749 ( 2.438 -7.399 0.000) 7.791 2.830 ( -3.982 2.307 0.000) 4.602 2.946 ( -0.379 3.105 0.000) 3.128 3.062 ( -2.247 -2.290 0.000) 3.208 3.107 ( -0.881 -1.409 0.000) 1.661 3.181 ( -4.855 1.436 0.000) 5.063 3.237 ( 4.392 3.343 0.000) 5.519 3.287 ( -3.163 3.215 0.000) 4.510 3.328 ( -1.343 2.412 0.000) 2.760 3.329 ( 4.016 1.845 0.000) 4.419 3.581 ( 0.633 1.856 0.000) 1.961 3.632 ( -1.861 -0.671 0.000) 1.979 3.658 ( -3.463 -1.596 0.000) 3.813 3.775 ( -13.934 2.812 0.000) 14.215 3.824 ( -0.982 5.781 0.000) 5.863 3.915 ( -12.744 2.783 0.000) 13.044 6.290 ( 0.386 -1.363 0.000) 1.417 6.333 ( 2.312 -1.536 0.000) 2.776 6.381 ( -4.792 -1.764 0.000) 5.106 6.526 ( -2.081 -3.234 0.000) 3.846 6.715 ( -0.907 -1.051 0.000) 1.388 6.940 ( -0.329 -1.159 0.000) 1.205 7.049 ( 2.400 0.693 0.000) 2.498 7.085 ( -1.940 0.149 0.000) 1.946 7.157 ( -0.948 -1.414 0.000) 1.702 7.307 ( 0.257 -2.330 0.000) 2.344 7.404 ( -3.321 1.950 0.000) 3.851 7.407 ( -2.818 -0.863 0.000) 2.947 7.520 ( 2.826 2.510 0.000) 3.779 7.665 ( -8.240 -0.367 0.000) 8.248 7.869 ( 1.076 0.041 0.000) 1.077 8.151 ( 4.764 -3.457 0.000) 5.886 8.180 ( -6.377 -4.473 0.000) 7.790 8.566 ( 8.079 -0.006 0.000) 8.079 9.155 ( -0.139 -4.310 0.000) 4.312 9.198 ( -1.254 -0.166 0.000) 1.265 9.394 ( 3.482 1.299 0.000) 3.716 9.581 ( 4.620 2.227 0.000) 5.129 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -14.481 3.990 0.000) 15.020 1.539 ( -16.446 2.835 0.000) 16.689 1.826 ( -8.526 2.525 0.000) 8.892 1.857 ( -2.317 0.272 0.000) 2.333 2.070 ( -2.674 -3.544 0.000) 4.440 2.212 ( -8.341 -7.086 0.000) 10.944 2.251 ( -2.558 0.839 0.000) 2.692 2.259 ( -4.601 -7.874 0.000) 9.120 2.345 ( -5.470 4.804 0.000) 7.280 2.474 ( -2.619 -12.172 0.000) 12.450 2.720 ( -6.405 2.923 0.000) 7.041 2.756 ( -6.625 -3.928 0.000) 7.702 2.785 ( -13.744 7.812 0.000) 15.809 2.994 ( -6.317 -2.393 0.000) 6.755 3.050 ( -7.812 -1.801 0.000) 8.017 3.050 ( -7.920 0.245 0.000) 7.924 3.136 ( -11.720 3.761 0.000) 12.308 3.261 ( -0.463 2.817 0.000) 2.855 3.334 ( 0.038 2.355 0.000) 2.356 3.386 ( 1.220 2.573 0.000) 2.848 3.486 ( -3.974 0.610 0.000) 4.020 3.530 ( 1.935 1.129 0.000) 2.240 3.582 ( -0.245 0.481 0.000) 0.540 3.675 ( 0.965 -0.498 0.000) 1.086 3.782 ( -0.658 2.149 0.000) 2.248 3.844 ( 1.491 -0.910 0.000) 1.746 6.294 ( -0.580 1.378 0.000) 1.495 6.311 ( -2.962 -1.700 0.000) 3.415 6.412 ( 3.476 -2.108 0.000) 4.066 6.531 ( -0.257 -5.742 0.000) 5.748 6.718 ( -0.830 -0.208 0.000) 0.855 6.930 ( -1.871 -0.629 0.000) 1.974 7.023 ( -3.226 -0.533 0.000) 3.270 7.075 ( 0.078 0.876 0.000) 0.880 7.114 ( -17.088 0.936 0.000) 17.114 7.129 ( -5.527 -3.672 0.000) 6.635 7.321 ( 1.666 -3.151 0.000) 3.565 7.466 ( 0.244 1.509 0.000) 1.528 7.542 ( -2.402 -0.617 0.000) 2.480 7.618 ( 7.403 1.352 0.000) 7.525 7.856 ( -2.336 0.210 0.000) 2.346 7.981 ( -10.470 -0.195 0.000) 10.472 8.343 ( 7.198 -7.177 0.000) 10.165 8.701 ( 5.826 0.085 0.000) 5.827 9.180 ( -0.655 -0.213 0.000) 0.689 9.187 ( 0.773 -4.741 0.000) 4.804 9.467 ( 4.970 1.633 0.000) 5.232 9.655 ( 4.525 2.839 0.000) 5.342 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -15.170 8.437 0.000) 17.359 1.188 ( -15.767 10.305 0.000) 18.836 1.629 ( -8.874 6.224 0.000) 10.839 1.790 ( -4.714 0.802 0.000) 4.781 2.058 ( -10.160 -5.090 0.000) 11.363 2.066 ( -0.438 -4.810 0.000) 4.830 2.105 ( -15.522 4.632 0.000) 16.198 2.179 ( -5.503 -0.755 0.000) 5.555 2.185 ( -12.931 7.528 0.000) 14.963 2.418 ( -11.553 4.946 0.000) 12.567 2.486 ( -5.211 -7.297 0.000) 8.967 2.537 ( -16.029 -3.377 0.000) 16.381 2.550 ( -8.717 -1.531 0.000) 8.851 2.759 ( -9.365 -0.633 0.000) 9.387 2.847 ( -9.100 2.660 0.000) 9.481 2.900 ( -8.674 -2.362 0.000) 8.990 3.031 ( -2.141 -4.252 0.000) 4.761 3.201 ( -2.322 7.556 0.000) 7.905 3.334 ( 1.198 0.277 0.000) 1.229 3.423 ( 3.586 -1.385 0.000) 3.845 3.503 ( 1.591 -0.459 0.000) 1.656 3.588 ( 0.590 -1.859 0.000) 1.950 3.676 ( 8.844 -0.005 0.000) 8.844 3.715 ( 2.867 0.249 0.000) 2.878 3.778 ( 0.371 -3.258 0.000) 3.279 3.897 ( 3.485 0.202 0.000) 3.491 6.185 ( -16.164 -0.744 0.000) 16.181 6.248 ( -7.485 -3.067 0.000) 8.089 6.444 ( -3.839 -6.086 0.000) 7.196 6.462 ( -7.469 2.857 0.000) 7.997 6.666 ( -0.120 -0.664 0.000) 0.675 6.833 ( -5.533 -0.146 0.000) 5.534 6.923 ( -3.021 -3.302 0.000) 4.475 6.993 ( 0.425 -0.088 0.000) 0.434 7.040 ( -1.651 2.539 0.000) 3.029 7.095 ( -0.145 -8.059 0.000) 8.060 7.382 ( -4.747 1.290 0.000) 4.919 7.395 ( 3.271 -3.363 0.000) 4.691 7.603 ( 5.187 0.576 0.000) 5.219 7.691 ( -3.340 0.615 0.000) 3.396 7.803 ( -6.011 1.700 0.000) 6.247 7.832 ( 2.223 -0.112 0.000) 2.226 8.498 ( 5.663 -3.183 0.000) 6.496 8.787 ( 3.187 -0.100 0.000) 3.189 9.178 ( 0.366 -0.298 0.000) 0.472 9.236 ( 1.687 -3.942 0.000) 4.288 9.568 ( 6.393 1.613 0.000) 6.593 9.722 ( 4.086 3.250 0.000) 5.222 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -12.425 14.754 0.000) 19.289 0.849 ( -8.681 21.784 0.000) 23.451 1.437 ( -5.635 10.365 0.000) 11.798 1.501 ( -29.376 27.113 0.000) 39.976 1.628 ( -10.531 5.084 0.000) 11.694 1.866 ( -11.543 3.160 0.000) 11.968 1.983 ( -3.819 -4.877 0.000) 6.194 2.061 ( -4.954 -3.813 0.000) 6.251 2.108 ( 1.242 -4.408 0.000) 4.579 2.265 ( -10.325 -1.951 0.000) 10.508 2.305 ( -9.641 -6.487 0.000) 11.621 2.351 ( -3.773 -2.984 0.000) 4.810 2.539 ( 1.182 -5.239 0.000) 5.371 2.680 ( -1.681 -1.750 0.000) 2.427 2.716 ( -2.911 3.761 0.000) 4.756 2.758 ( -7.657 -3.881 0.000) 8.584 3.025 ( -1.125 -2.104 0.000) 2.386 3.123 ( -0.929 4.945 0.000) 5.032 3.366 ( 2.216 0.372 0.000) 2.247 3.485 ( 1.482 -0.738 0.000) 1.656 3.533 ( 1.755 0.151 0.000) 1.762 3.613 ( 0.300 -3.064 0.000) 3.079 3.758 ( 2.241 4.844 0.000) 5.337 3.776 ( 2.753 -1.607 0.000) 3.188 3.882 ( 4.402 -10.687 0.000) 11.558 3.973 ( 5.158 1.585 0.000) 5.396 5.703 ( -25.400 1.420 0.000) 25.440 5.904 ( -33.253 -13.537 0.000) 35.903 6.423 ( -0.151 -6.085 0.000) 6.087 6.427 ( 3.972 5.543 0.000) 6.819 6.650 ( -4.213 -1.080 0.000) 4.349 6.794 ( -0.031 1.587 0.000) 1.587 6.881 ( -1.699 1.495 0.000) 2.263 7.040 ( 3.808 -0.194 0.000) 3.813 7.049 ( 1.997 -2.623 0.000) 3.296 7.175 ( 2.888 -8.116 0.000) 8.614 7.304 ( -2.472 1.164 0.000) 2.733 7.471 ( 2.799 -3.473 0.000) 4.460 7.561 ( -6.467 1.660 0.000) 6.677 7.687 ( 3.518 1.317 0.000) 3.756 7.689 ( -5.106 0.931 0.000) 5.190 7.909 ( 3.637 1.467 0.000) 3.922 8.598 ( 4.220 0.419 0.000) 4.241 8.830 ( 1.232 -0.318 0.000) 1.273 9.192 ( 0.696 -0.317 0.000) 0.765 9.290 ( 1.631 -3.157 0.000) 3.554 9.686 ( 6.206 1.127 0.000) 6.308 9.769 ( 2.498 3.489 0.000) 4.291 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 0.000 20.809 0.000) 20.809 0.665 ( 0.000 28.401 0.000) 28.401 0.912 ( 0.000 39.639 0.000) 39.639 1.318 ( 0.000 12.480 0.000) 12.480 1.451 ( 0.000 6.761 0.000) 6.761 1.728 ( 0.000 2.215 0.000) 2.215 1.989 ( -0.000 -6.910 0.000) 6.910 2.038 ( -0.000 -3.621 0.000) 3.621 2.149 ( -0.000 -0.094 0.000) 0.094 2.161 ( -0.000 -3.016 0.000) 3.016 2.242 ( -0.000 -9.101 0.000) 9.101 2.329 ( -0.000 -2.712 0.000) 2.712 2.611 ( -0.000 -4.214 0.000) 4.214 2.663 ( -0.000 -1.891 0.000) 1.891 2.673 ( 0.000 3.585 0.000) 3.585 2.680 ( -0.000 -1.944 0.000) 1.944 2.995 ( 0.000 6.331 0.000) 6.331 3.130 ( -0.000 -5.465 0.000) 5.465 3.403 ( -0.000 -1.039 0.000) 1.039 3.499 ( -0.000 -0.230 0.000) 0.230 3.551 ( 0.000 1.065 0.000) 1.065 3.631 ( -0.000 -2.233 0.000) 2.233 3.752 ( 0.000 5.812 0.000) 5.812 3.823 ( -0.000 -3.845 0.000) 3.845 3.987 ( -0.000 -9.693 0.000) 9.693 4.082 ( -0.000 -2.346 0.000) 2.346 5.358 ( 0.000 3.519 0.000) 3.519 5.410 ( 0.000 3.150 0.000) 3.150 6.469 ( 0.000 10.137 0.000) 10.137 6.474 ( -0.000 -8.208 0.000) 8.208 6.574 ( -0.000 -6.434 0.000) 6.434 6.778 ( 0.000 3.476 0.000) 3.476 6.855 ( 0.000 3.618 0.000) 3.618 7.091 ( -0.000 -0.552 0.000) 0.552 7.096 ( -0.000 -4.628 0.000) 4.628 7.260 ( -0.000 -7.885 0.000) 7.885 7.274 ( 0.000 0.973 0.000) 0.973 7.471 ( 0.000 0.267 0.000) 0.267 7.567 ( 0.000 0.738 0.000) 0.738 7.586 ( -0.000 -0.397 0.000) 0.397 7.712 ( 0.000 1.962 0.000) 1.962 7.935 ( 0.000 1.711 0.000) 1.711 8.653 ( -0.000 -0.525 0.000) 0.525 8.843 ( -0.000 -0.360 0.000) 0.360 9.202 ( -0.000 -0.276 0.000) 0.276 9.324 ( -0.000 -2.815 0.000) 2.815 9.765 ( -0.000 -0.891 0.000) 0.891 9.774 ( 0.000 3.390 0.000) 3.390 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.023 0.000 0.000) 0.023 1.933 ( 1.530 0.000 0.000) 1.530 2.154 ( 5.744 0.000 0.000) 5.744 2.184 ( -2.457 -0.000 0.000) 2.457 2.339 ( 2.068 0.000 0.000) 2.068 2.391 ( 4.056 0.000 0.000) 4.056 2.545 ( -10.955 -0.000 0.000) 10.955 2.555 ( -0.964 -0.000 0.000) 0.964 2.673 ( -5.162 -0.000 0.000) 5.162 2.696 ( -2.398 -0.000 0.000) 2.398 2.769 ( -9.111 -0.000 0.000) 9.111 2.779 ( 0.191 0.000 0.000) 0.191 2.905 ( 5.129 0.000 0.000) 5.129 2.988 ( 2.690 0.000 0.000) 2.690 3.012 ( -2.279 -0.000 0.000) 2.279 3.019 ( -1.559 -0.000 0.000) 1.559 3.218 ( 2.671 0.000 0.000) 2.671 3.256 ( 2.091 0.000 0.000) 2.091 3.349 ( 4.852 0.000 0.000) 4.852 3.364 ( -2.064 -0.000 0.000) 2.064 3.468 ( 2.336 0.000 0.000) 2.336 3.526 ( 0.781 0.000 0.000) 0.781 3.694 ( -0.655 -0.000 0.000) 0.655 4.003 ( 2.273 0.000 0.000) 2.273 4.126 ( 6.868 0.000 0.000) 6.868 4.237 ( 9.217 0.000 0.000) 9.217 6.334 ( -2.229 -0.000 0.000) 2.229 6.445 ( -5.052 -0.000 0.000) 5.052 6.543 ( 0.855 0.000 0.000) 0.855 6.648 ( 2.016 0.000 0.000) 2.016 6.863 ( -2.195 -0.000 0.000) 2.195 6.891 ( 0.740 0.000 0.000) 0.740 6.929 ( 3.901 0.000 0.000) 3.901 7.105 ( 1.963 0.000 0.000) 1.963 7.186 ( -3.855 -0.000 0.000) 3.855 7.230 ( -3.302 -0.000 0.000) 3.302 7.368 ( 1.906 0.000 0.000) 1.906 7.538 ( 7.003 0.000 0.000) 7.003 7.552 ( -0.341 -0.000 0.000) 0.341 7.685 ( -6.347 -0.000 0.000) 6.347 8.016 ( 9.582 0.000 0.000) 9.582 8.048 ( -3.994 -0.000 0.000) 3.994 8.214 ( -10.108 -0.000 0.000) 10.108 8.369 ( -2.708 -0.000 0.000) 2.708 9.245 ( -4.296 -0.000 0.000) 4.296 9.249 ( -0.629 -0.000 0.000) 0.629 9.279 ( 1.299 0.000 0.000) 1.299 9.382 ( 1.359 0.000 0.000) 1.359 ======================= Grid point 43 (31/147) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -0.982 -0.037 0.000) 0.983 1.956 ( -0.235 -0.002 0.000) 0.235 2.117 ( -3.655 0.442 0.000) 3.682 2.218 ( 0.830 0.050 0.000) 0.832 2.273 ( -12.794 2.334 0.000) 13.005 2.318 ( -5.422 -1.533 0.000) 5.635 2.439 ( 0.456 -0.462 0.000) 0.649 2.507 ( -3.173 0.227 0.000) 3.181 2.567 ( -5.816 -1.214 0.000) 5.942 2.626 ( -5.164 -0.268 0.000) 5.171 2.630 ( -5.077 -2.163 0.000) 5.518 2.863 ( 6.346 0.601 0.000) 6.374 2.941 ( -0.598 -0.030 0.000) 0.599 3.009 ( -0.366 0.262 0.000) 0.450 3.011 ( 2.141 -0.023 0.000) 2.141 3.081 ( 6.581 0.710 0.000) 6.619 3.270 ( 2.271 0.082 0.000) 2.273 3.281 ( 0.709 -0.058 0.000) 0.711 3.321 ( -1.841 0.298 0.000) 1.865 3.427 ( 2.466 -1.866 0.000) 3.093 3.512 ( 2.038 -0.561 0.000) 2.114 3.546 ( 1.222 -0.005 0.000) 1.222 3.677 ( -1.116 0.088 0.000) 1.120 4.010 ( -0.415 3.629 0.000) 3.653 4.177 ( -1.761 0.190 0.000) 1.771 4.330 ( -0.471 -1.071 0.000) 1.170 6.297 ( -1.283 -0.113 0.000) 1.288 6.343 ( -4.878 0.216 0.000) 4.883 6.541 ( -0.649 -1.003 0.000) 1.194 6.595 ( -6.048 -0.525 0.000) 6.071 6.872 ( -4.220 -0.148 0.000) 4.223 6.881 ( 2.518 0.180 0.000) 2.525 6.990 ( 2.481 0.552 0.000) 2.541 7.117 ( -2.412 0.830 0.000) 2.551 7.155 ( 2.278 -0.939 0.000) 2.464 7.212 ( 2.372 0.136 0.000) 2.376 7.360 ( -3.062 -0.063 0.000) 3.063 7.551 ( 0.178 -0.151 0.000) 0.233 7.579 ( -3.552 0.448 0.000) 3.580 7.687 ( 7.812 -0.250 0.000) 7.816 7.971 ( -3.428 -0.410 0.000) 3.453 8.019 ( -10.032 0.023 0.000) 10.032 8.205 ( 9.905 -0.046 0.000) 9.905 8.338 ( -0.951 0.100 0.000) 0.956 9.172 ( -3.222 -0.227 0.000) 3.230 9.237 ( -0.648 0.092 0.000) 0.654 9.307 ( 1.698 -0.122 0.000) 1.703 9.431 ( 3.630 0.097 0.000) 3.632 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -7.331 0.071 0.000) 7.332 1.897 ( -1.289 -0.422 0.000) 1.356 2.038 ( -10.977 -1.777 0.000) 11.120 2.062 ( -2.464 0.750 0.000) 2.576 2.194 ( -3.012 0.030 0.000) 3.012 2.199 ( -7.605 -3.150 0.000) 8.232 2.407 ( -3.005 1.545 0.000) 3.379 2.440 ( -4.212 -0.776 0.000) 4.283 2.468 ( -5.767 -2.970 0.000) 6.487 2.536 ( -5.065 -1.226 0.000) 5.212 2.597 ( 1.062 -3.732 0.000) 3.880 2.916 ( -1.286 1.396 0.000) 1.898 2.972 ( 2.541 2.704 0.000) 3.711 3.000 ( 1.601 -2.380 0.000) 2.869 3.071 ( 2.943 -0.313 0.000) 2.959 3.191 ( 4.723 1.154 0.000) 4.862 3.266 ( -1.949 0.722 0.000) 2.079 3.297 ( 1.441 0.438 0.000) 1.506 3.321 ( 1.757 1.657 0.000) 2.416 3.436 ( -2.612 0.229 0.000) 2.622 3.569 ( 3.002 -3.208 0.000) 4.393 3.572 ( 1.584 0.290 0.000) 1.610 3.652 ( -1.422 -0.055 0.000) 1.423 3.955 ( -2.543 4.738 0.000) 5.377 4.059 ( -9.764 1.154 0.000) 9.832 4.223 ( -10.467 0.820 0.000) 10.499 6.274 ( -2.115 -0.952 0.000) 2.319 6.294 ( 0.981 -0.003 0.000) 0.981 6.465 ( -7.423 -1.633 0.000) 7.600 6.534 ( -1.098 -0.980 0.000) 1.472 6.761 ( -5.748 -0.747 0.000) 5.797 6.921 ( 1.275 -0.196 0.000) 1.290 7.025 ( 1.770 0.977 0.000) 2.022 7.090 ( 0.490 0.821 0.000) 0.956 7.185 ( -1.564 -1.556 0.000) 2.206 7.284 ( -2.509 -0.312 0.000) 2.528 7.296 ( 5.205 -0.637 0.000) 5.243 7.538 ( -2.413 0.325 0.000) 2.434 7.543 ( -0.359 1.474 0.000) 1.517 7.819 ( 4.890 0.188 0.000) 4.894 7.832 ( -9.283 -0.044 0.000) 9.283 7.954 ( 1.605 -3.670 0.000) 4.005 8.301 ( -3.518 0.454 0.000) 3.547 8.393 ( 9.512 -0.089 0.000) 9.512 9.126 ( -1.928 -1.383 0.000) 2.373 9.220 ( -1.063 0.010 0.000) 1.063 9.348 ( 2.629 0.224 0.000) 2.638 9.513 ( 4.831 0.683 0.000) 4.879 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -11.075 0.893 0.000) 11.111 1.839 ( -10.935 1.038 0.000) 10.984 1.883 ( -0.734 -0.337 0.000) 0.808 1.982 ( -5.401 0.728 0.000) 5.450 2.112 ( -4.076 -9.402 0.000) 10.247 2.113 ( -5.274 -1.109 0.000) 5.390 2.332 ( -3.363 1.903 0.000) 3.864 2.335 ( -7.967 -3.162 0.000) 8.571 2.378 ( -5.427 -5.469 0.000) 7.705 2.467 ( -2.761 0.328 0.000) 2.781 2.678 ( 3.434 -5.159 0.000) 6.197 2.858 ( -3.351 2.896 0.000) 4.429 2.968 ( -0.904 -0.286 0.000) 0.948 3.044 ( -1.303 0.040 0.000) 1.304 3.093 ( -1.388 -1.045 0.000) 1.738 3.184 ( -5.207 -0.603 0.000) 5.242 3.267 ( 2.641 2.148 0.000) 3.405 3.330 ( -2.894 3.769 0.000) 4.752 3.346 ( 4.044 1.118 0.000) 4.196 3.352 ( -0.239 1.986 0.000) 2.000 3.598 ( 1.009 1.174 0.000) 1.548 3.626 ( -1.264 -0.484 0.000) 1.353 3.633 ( 0.129 -2.540 0.000) 2.543 3.804 ( -14.679 2.272 0.000) 14.854 3.874 ( -3.197 3.096 0.000) 4.450 3.951 ( -14.219 3.289 0.000) 14.595 6.277 ( 1.603 -0.883 0.000) 1.830 6.320 ( -0.564 -0.755 0.000) 0.942 6.361 ( -2.039 -1.754 0.000) 2.690 6.493 ( -3.590 -2.525 0.000) 4.388 6.706 ( -0.417 -0.555 0.000) 0.694 6.928 ( -0.523 -0.861 0.000) 1.007 7.056 ( 1.936 0.484 0.000) 1.995 7.087 ( -3.649 0.158 0.000) 3.652 7.148 ( 1.470 -0.256 0.000) 1.493 7.281 ( -1.129 -2.204 0.000) 2.477 7.397 ( 3.206 -0.791 0.000) 3.302 7.423 ( -8.362 1.360 0.000) 8.472 7.545 ( 2.355 1.975 0.000) 3.073 7.661 ( -8.400 -0.244 0.000) 8.404 7.867 ( 0.731 -0.368 0.000) 0.819 8.073 ( 6.438 -6.426 0.000) 9.096 8.183 ( -7.966 1.053 0.000) 8.036 8.566 ( 8.175 -0.007 0.000) 8.175 9.115 ( -0.423 -2.802 0.000) 2.834 9.197 ( -1.260 -0.067 0.000) 1.261 9.405 ( 3.552 0.664 0.000) 3.613 9.601 ( 4.774 1.363 0.000) 4.965 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -12.466 3.580 0.000) 12.970 1.597 ( -11.361 7.478 0.000) 13.602 1.852 ( -6.663 1.856 0.000) 6.917 1.860 ( -2.602 0.573 0.000) 2.665 2.029 ( -3.867 -3.641 0.000) 5.311 2.120 ( -3.342 -9.767 0.000) 10.323 2.188 ( -8.102 -4.584 0.000) 9.309 2.258 ( -3.758 0.469 0.000) 3.787 2.337 ( -3.417 -11.411 0.000) 11.912 2.395 ( -4.253 3.518 0.000) 5.520 2.713 ( -4.593 -3.493 0.000) 5.770 2.752 ( -6.276 3.254 0.000) 7.070 2.858 ( -12.124 5.211 0.000) 13.197 2.961 ( -4.885 -3.692 0.000) 6.123 3.031 ( -6.285 -1.567 0.000) 6.478 3.048 ( -8.776 -0.652 0.000) 8.800 3.190 ( -11.992 5.630 0.000) 13.248 3.286 ( 0.541 1.614 0.000) 1.703 3.359 ( -0.919 2.152 0.000) 2.340 3.413 ( 1.903 2.207 0.000) 2.914 3.496 ( -7.966 1.231 0.000) 8.060 3.548 ( -1.153 1.851 0.000) 2.181 3.587 ( -0.894 0.439 0.000) 0.996 3.670 ( 1.501 -0.422 0.000) 1.559 3.801 ( -2.157 1.147 0.000) 2.443 3.833 ( 1.164 -0.974 0.000) 1.518 6.281 ( -2.434 -3.187 0.000) 4.011 6.307 ( -0.003 0.973 0.000) 0.973 6.397 ( 1.794 -0.724 0.000) 1.935 6.468 ( -0.744 -5.257 0.000) 5.310 6.715 ( -0.005 -0.267 0.000) 0.267 6.923 ( -0.846 -0.765 0.000) 1.140 7.015 ( -3.036 -0.787 0.000) 3.136 7.085 ( 0.812 0.802 0.000) 1.141 7.103 ( -9.002 -1.096 0.000) 9.068 7.132 ( -17.297 2.141 0.000) 17.429 7.284 ( 2.187 -3.250 0.000) 3.917 7.477 ( 1.003 0.677 0.000) 1.210 7.533 ( -2.719 -0.899 0.000) 2.864 7.633 ( 6.937 1.275 0.000) 7.053 7.855 ( -2.278 -0.382 0.000) 2.310 7.987 ( -9.831 1.210 0.000) 9.905 8.266 ( 8.484 -6.419 0.000) 10.638 8.702 ( 5.792 0.072 0.000) 5.792 9.141 ( 1.168 -3.553 0.000) 3.740 9.178 ( -0.673 -0.125 0.000) 0.684 9.481 ( 4.834 0.893 0.000) 4.915 9.682 ( 4.613 1.990 0.000) 5.024 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -12.170 8.086 0.000) 14.612 1.333 ( -8.900 15.407 0.000) 17.793 1.693 ( -6.977 5.027 0.000) 8.599 1.795 ( -4.182 0.061 0.000) 4.182 2.005 ( -8.695 -3.915 0.000) 9.535 2.012 ( -0.801 -4.543 0.000) 4.613 2.114 ( -7.838 -3.482 0.000) 8.577 2.171 ( -5.806 -0.581 0.000) 5.835 2.230 ( -9.514 1.631 0.000) 9.653 2.384 ( -0.554 -9.012 0.000) 9.029 2.501 ( -17.403 -3.079 0.000) 17.673 2.527 ( -16.147 8.979 0.000) 18.476 2.554 ( -13.813 3.608 0.000) 14.276 2.769 ( -10.745 2.800 0.000) 11.104 2.868 ( -10.610 -3.339 0.000) 11.123 2.874 ( -7.694 1.970 0.000) 7.943 2.987 ( -3.730 -3.137 0.000) 4.874 3.274 ( -0.503 4.716 0.000) 4.742 3.341 ( 0.833 1.372 0.000) 1.605 3.403 ( 1.829 -1.930 0.000) 2.658 3.499 ( 1.856 -0.290 0.000) 1.879 3.577 ( 0.111 -0.281 0.000) 0.302 3.629 ( 4.300 -7.108 0.000) 8.308 3.717 ( 2.855 0.160 0.000) 2.860 3.778 ( 0.903 2.061 0.000) 2.250 3.895 ( 4.087 -0.435 0.000) 4.110 6.181 ( -16.997 -0.044 0.000) 16.997 6.216 ( -10.741 -2.280 0.000) 10.981 6.374 ( -5.350 -6.322 0.000) 8.282 6.462 ( -3.089 -2.567 0.000) 4.016 6.679 ( -0.793 2.261 0.000) 2.396 6.840 ( -5.028 1.135 0.000) 5.155 6.893 ( -4.114 -1.730 0.000) 4.463 6.991 ( 0.432 -0.399 0.000) 0.588 7.017 ( 0.127 -5.978 0.000) 5.980 7.074 ( -0.835 3.286 0.000) 3.391 7.359 ( 3.099 -3.001 0.000) 4.315 7.397 ( -4.485 1.533 0.000) 4.740 7.602 ( 5.056 -0.709 0.000) 5.106 7.702 ( -2.923 1.357 0.000) 3.222 7.804 ( -5.530 -0.852 0.000) 5.595 7.849 ( 2.357 2.418 0.000) 3.376 8.455 ( 7.557 -4.182 0.000) 8.637 8.786 ( 3.026 -0.115 0.000) 3.028 9.175 ( 0.329 -0.230 0.000) 0.401 9.195 ( 2.319 -3.266 0.000) 4.006 9.582 ( 6.046 0.861 0.000) 6.107 9.755 ( 4.211 2.635 0.000) 4.967 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -8.870 13.884 0.000) 16.476 1.106 ( -2.683 23.646 0.000) 23.798 1.545 ( -4.009 8.583 0.000) 9.473 1.680 ( -7.415 3.956 0.000) 8.404 1.775 ( -19.482 19.266 0.000) 27.400 1.888 ( -9.533 1.132 0.000) 9.600 1.969 ( -8.696 3.698 0.000) 9.450 2.007 ( -5.128 -5.071 0.000) 7.212 2.068 ( -1.177 -2.925 0.000) 3.153 2.235 ( -10.467 -6.017 0.000) 12.073 2.248 ( -9.452 -0.754 0.000) 9.482 2.310 ( -4.982 -4.160 0.000) 6.490 2.473 ( 0.767 -6.280 0.000) 6.327 2.662 ( -1.864 -1.448 0.000) 2.361 2.710 ( -7.832 -4.530 0.000) 9.048 2.755 ( -3.130 3.056 0.000) 4.374 2.964 ( -1.697 -6.192 0.000) 6.420 3.216 ( -1.015 8.969 0.000) 9.027 3.370 ( 2.107 0.061 0.000) 2.107 3.465 ( 1.854 -2.921 0.000) 3.460 3.527 ( 1.131 -1.123 0.000) 1.594 3.591 ( 0.665 -0.650 0.000) 0.930 3.730 ( 0.033 -11.854 0.000) 11.855 3.768 ( 2.131 -0.126 0.000) 2.134 3.821 ( 4.820 2.167 0.000) 5.285 3.981 ( 4.530 0.088 0.000) 4.531 5.721 ( -23.500 1.730 0.000) 23.564 5.802 ( -29.744 -5.640 0.000) 30.274 6.358 ( -0.654 -5.457 0.000) 5.496 6.457 ( 1.850 -0.014 0.000) 1.850 6.663 ( -1.833 2.639 0.000) 3.214 6.808 ( 0.363 0.858 0.000) 0.932 6.882 ( 0.212 -1.011 0.000) 1.033 7.037 ( 3.547 -0.408 0.000) 3.570 7.047 ( 0.353 2.327 0.000) 2.354 7.090 ( 2.726 -7.033 0.000) 7.543 7.320 ( -2.426 1.735 0.000) 2.983 7.436 ( 3.398 -2.858 0.000) 4.440 7.583 ( -5.651 2.068 0.000) 6.017 7.692 ( -5.862 -0.296 0.000) 5.869 7.693 ( 3.519 -0.328 0.000) 3.535 7.928 ( 3.899 1.713 0.000) 4.259 8.590 ( 4.624 -1.493 0.000) 4.859 8.826 ( 1.119 -0.366 0.000) 1.177 9.189 ( 0.707 -0.296 0.000) 0.766 9.256 ( 1.930 -2.854 0.000) 3.445 9.692 ( 5.258 0.237 0.000) 5.264 9.807 ( 2.623 3.253 0.000) 4.179 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.000 18.291 0.000) 18.291 0.967 ( 0.000 25.893 0.000) 25.893 1.338 ( 0.000 36.430 0.000) 36.430 1.455 ( 0.000 11.404 0.000) 11.404 1.534 ( 0.000 7.882 0.000) 7.882 1.756 ( 0.000 2.713 0.000) 2.713 1.924 ( -0.000 -4.190 0.000) 4.190 1.982 ( -0.000 -6.546 0.000) 6.546 2.122 ( -0.000 -3.970 0.000) 3.970 2.145 ( -0.000 -0.611 0.000) 0.611 2.146 ( -0.000 -7.498 0.000) 7.498 2.291 ( -0.000 -4.192 0.000) 4.192 2.542 ( -0.000 -8.042 0.000) 8.042 2.636 ( -0.000 -2.723 0.000) 2.723 2.659 ( -0.000 -1.836 0.000) 1.836 2.711 ( 0.000 3.106 0.000) 3.106 2.988 ( -0.000 -6.863 0.000) 6.863 3.154 ( 0.000 8.814 0.000) 8.814 3.399 ( -0.000 -0.077 0.000) 0.077 3.491 ( -0.000 -1.313 0.000) 1.313 3.553 ( -0.000 -1.415 0.000) 1.415 3.603 ( -0.000 -1.668 0.000) 1.668 3.775 ( -0.000 -4.727 0.000) 4.727 3.794 ( -0.000 -1.293 0.000) 1.293 3.889 ( -0.000 -4.732 0.000) 4.732 4.054 ( -0.000 -2.549 0.000) 2.549 5.401 ( 0.000 4.086 0.000) 4.086 5.449 ( 0.000 3.557 0.000) 3.557 6.389 ( -0.000 -6.879 0.000) 6.879 6.511 ( -0.000 -4.776 0.000) 4.776 6.582 ( 0.000 9.250 0.000) 9.250 6.806 ( 0.000 1.510 0.000) 1.510 6.884 ( 0.000 1.665 0.000) 1.665 7.055 ( -0.000 -1.883 0.000) 1.883 7.085 ( -0.000 -0.500 0.000) 0.500 7.168 ( -0.000 -8.355 0.000) 8.355 7.288 ( 0.000 1.430 0.000) 1.430 7.474 ( 0.000 0.326 0.000) 0.326 7.576 ( 0.000 -0.683 0.000) 0.683 7.576 ( 0.000 0.037 0.000) 0.037 7.728 ( 0.000 0.597 0.000) 0.597 7.955 ( 0.000 1.911 0.000) 1.911 8.645 ( -0.000 -0.979 0.000) 0.979 8.838 ( -0.000 -0.456 0.000) 0.456 9.199 ( -0.000 -0.309 0.000) 0.309 9.292 ( -0.000 -2.840 0.000) 2.840 9.754 ( -0.000 -0.897 0.000) 0.897 9.814 ( 0.000 3.584 0.000) 3.584 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -7.603 -0.000 0.000) 7.603 1.895 ( -0.976 -0.000 0.000) 0.976 2.028 ( -11.239 -0.000 0.000) 11.239 2.066 ( -2.571 -0.000 0.000) 2.571 2.182 ( -8.385 -0.000 0.000) 8.385 2.194 ( -3.150 -0.000 0.000) 3.150 2.416 ( -2.535 -0.000 0.000) 2.535 2.435 ( -4.750 -0.000 0.000) 4.750 2.451 ( -6.023 -0.000 0.000) 6.023 2.529 ( -4.317 -0.000 0.000) 4.317 2.575 ( 0.528 0.000 0.000) 0.528 2.927 ( -0.699 -0.000 0.000) 0.699 2.980 ( -2.288 -0.000 0.000) 2.288 2.992 ( 5.909 0.000 0.000) 5.909 3.069 ( 2.822 0.000 0.000) 2.822 3.195 ( 3.698 0.000 0.000) 3.698 3.272 ( -1.094 -0.000 0.000) 1.094 3.299 ( 1.595 0.000 0.000) 1.595 3.332 ( 2.306 0.000 0.000) 2.306 3.434 ( -1.760 -0.000 0.000) 1.760 3.551 ( 2.552 0.000 0.000) 2.552 3.574 ( 1.663 0.000 0.000) 1.663 3.652 ( -1.471 -0.000 0.000) 1.471 3.982 ( -3.340 -0.000 0.000) 3.340 4.066 ( -9.547 -0.000 0.000) 9.547 4.227 ( -9.716 -0.000 0.000) 9.716 6.269 ( -2.201 -0.000 0.000) 2.201 6.295 ( 1.245 0.000 0.000) 1.245 6.455 ( -7.727 -0.000 0.000) 7.727 6.528 ( -1.102 -0.000 0.000) 1.102 6.757 ( -5.747 -0.000 0.000) 5.747 6.920 ( 1.106 0.000 0.000) 1.106 7.030 ( 1.594 0.000 0.000) 1.594 7.096 ( 0.675 0.000 0.000) 0.675 7.175 ( -1.745 -0.000 0.000) 1.745 7.282 ( -2.678 -0.000 0.000) 2.678 7.292 ( 5.015 0.000 0.000) 5.015 7.540 ( -2.184 -0.000 0.000) 2.184 7.551 ( -0.191 -0.000 0.000) 0.191 7.820 ( 4.992 0.000 0.000) 4.992 7.832 ( -9.305 -0.000 0.000) 9.305 7.933 ( 0.810 0.000 0.000) 0.810 8.304 ( -3.392 -0.000 0.000) 3.392 8.393 ( 9.526 0.000 0.000) 9.526 9.119 ( -2.145 -0.000 0.000) 2.145 9.220 ( -1.089 -0.000 0.000) 1.089 9.349 ( 2.723 0.000 0.000) 2.723 9.517 ( 4.928 0.000 0.000) 4.928 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -10.430 0.349 0.000) 10.436 1.859 ( -6.485 1.896 0.000) 6.756 1.880 ( -0.626 -0.163 0.000) 0.647 1.988 ( -5.236 0.296 0.000) 5.244 2.028 ( -7.535 -4.884 0.000) 8.979 2.104 ( -6.006 -0.430 0.000) 6.021 2.313 ( -7.855 -0.822 0.000) 7.898 2.333 ( -6.763 -2.327 0.000) 7.153 2.347 ( -4.048 0.727 0.000) 4.113 2.471 ( -2.098 0.240 0.000) 2.111 2.638 ( 4.163 -1.876 0.000) 4.566 2.894 ( -2.327 3.498 0.000) 4.202 2.941 ( -2.265 -3.431 0.000) 4.111 3.057 ( -0.335 1.215 0.000) 1.260 3.085 ( -1.644 -0.388 0.000) 1.689 3.175 ( -5.112 -0.682 0.000) 5.157 3.284 ( 1.644 0.794 0.000) 1.825 3.354 ( 4.081 0.375 0.000) 4.098 3.357 ( -5.036 0.983 0.000) 5.131 3.373 ( 1.935 1.489 0.000) 2.442 3.607 ( 1.590 0.440 0.000) 1.650 3.609 ( 2.258 -1.328 0.000) 2.620 3.622 ( -1.505 -0.218 0.000) 1.520 3.822 ( -14.788 0.875 0.000) 14.814 3.895 ( -4.759 0.917 0.000) 4.847 3.979 ( -14.233 1.418 0.000) 14.303 6.270 ( 2.121 -0.295 0.000) 2.141 6.316 ( -4.962 -0.047 0.000) 4.962 6.345 ( 2.186 -0.897 0.000) 2.363 6.473 ( -4.318 -0.958 0.000) 4.423 6.702 ( -0.197 -0.173 0.000) 0.262 6.922 ( -0.665 -0.319 0.000) 0.738 7.059 ( 1.661 0.175 0.000) 1.671 7.088 ( -5.079 0.031 0.000) 5.079 7.149 ( 3.948 0.192 0.000) 3.952 7.262 ( -2.480 -1.004 0.000) 2.676 7.390 ( 4.756 -0.307 0.000) 4.766 7.434 ( -9.269 0.470 0.000) 9.281 7.561 ( 2.038 0.804 0.000) 2.191 7.659 ( -8.500 -0.084 0.000) 8.500 7.862 ( 0.438 -0.350 0.000) 0.561 8.024 ( 6.765 -2.211 0.000) 7.117 8.191 ( -8.036 0.401 0.000) 8.046 8.566 ( 8.230 -0.003 0.000) 8.230 9.094 ( -0.584 -0.971 0.000) 1.133 9.197 ( -1.270 -0.016 0.000) 1.270 9.410 ( 3.584 0.198 0.000) 3.589 9.611 ( 4.858 0.459 0.000) 4.879 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -10.965 2.182 0.000) 11.179 1.703 ( -6.084 11.286 0.000) 12.821 1.858 ( -3.033 0.008 0.000) 3.033 1.877 ( -5.140 1.594 0.000) 5.382 1.994 ( -4.888 -2.545 0.000) 5.511 1.995 ( -1.738 -12.442 0.000) 12.563 2.156 ( -8.698 -1.290 0.000) 8.794 2.230 ( -6.288 -7.385 0.000) 9.699 2.262 ( -4.548 0.139 0.000) 4.550 2.425 ( -2.546 1.823 0.000) 3.131 2.682 ( -3.300 -2.025 0.000) 3.871 2.796 ( -5.934 4.573 0.000) 7.492 2.900 ( -11.010 1.436 0.000) 11.103 2.914 ( -6.808 -3.709 0.000) 7.753 3.017 ( -5.583 -0.916 0.000) 5.658 3.039 ( -8.863 -0.838 0.000) 8.903 3.249 ( -7.818 4.576 0.000) 9.058 3.296 ( -0.459 0.187 0.000) 0.496 3.379 ( -0.509 1.309 0.000) 1.405 3.432 ( 3.436 1.049 0.000) 3.593 3.511 ( -11.470 1.239 0.000) 11.537 3.567 ( -5.234 1.446 0.000) 5.430 3.591 ( -1.203 0.199 0.000) 1.219 3.666 ( 1.870 -0.236 0.000) 1.885 3.808 ( -1.409 0.228 0.000) 1.427 3.824 ( -0.576 -0.553 0.000) 0.798 6.249 ( -2.111 -2.230 0.000) 3.070 6.316 ( 0.702 0.702 0.000) 0.993 6.392 ( 0.485 -0.278 0.000) 0.559 6.419 ( -1.649 -3.351 0.000) 3.735 6.712 ( 0.348 -0.184 0.000) 0.394 6.914 ( -0.238 -0.640 0.000) 0.683 7.008 ( -3.174 -0.481 0.000) 3.210 7.092 ( 1.684 0.497 0.000) 1.756 7.100 ( -11.596 0.331 0.000) 11.601 7.155 ( -17.432 1.724 0.000) 17.517 7.252 ( 3.491 -2.249 0.000) 4.153 7.482 ( 3.127 0.214 0.000) 3.135 7.523 ( -4.403 -0.754 0.000) 4.467 7.645 ( 6.626 0.821 0.000) 6.677 7.849 ( -2.293 -0.488 0.000) 2.345 8.005 ( -9.154 1.710 0.000) 9.312 8.204 ( 9.186 -4.349 0.000) 10.163 8.702 ( 5.764 0.041 0.000) 5.764 9.110 ( 1.422 -1.897 0.000) 2.370 9.177 ( -0.693 -0.056 0.000) 0.696 9.487 ( 4.739 0.369 0.000) 4.753 9.699 ( 4.691 1.021 0.000) 4.801 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -9.844 6.018 0.000) 11.538 1.521 ( -3.856 17.924 0.000) 18.334 1.732 ( -6.977 1.598 0.000) 7.157 1.798 ( -3.682 0.825 0.000) 3.773 1.969 ( -0.274 -3.082 0.000) 3.094 1.974 ( -6.897 -1.871 0.000) 7.147 2.049 ( -3.740 -7.047 0.000) 7.978 2.166 ( -5.662 -0.248 0.000) 5.667 2.176 ( -6.595 -10.888 0.000) 12.730 2.350 ( -3.148 2.584 0.000) 4.073 2.471 ( -18.414 -2.272 0.000) 18.553 2.547 ( -16.202 0.275 0.000) 16.204 2.638 ( -12.029 5.572 0.000) 13.257 2.794 ( -9.449 -2.512 0.000) 9.777 2.859 ( -12.266 4.272 0.000) 12.989 2.890 ( -6.643 0.914 0.000) 6.706 2.980 ( -7.856 3.469 0.000) 8.588 3.285 ( -1.114 -2.902 0.000) 3.109 3.371 ( 0.698 3.309 0.000) 3.381 3.386 ( -0.207 -1.032 0.000) 1.053 3.496 ( 1.768 -0.250 0.000) 1.785 3.548 ( 0.066 -6.480 0.000) 6.480 3.578 ( 0.192 0.260 0.000) 0.323 3.719 ( 3.040 0.107 0.000) 3.042 3.802 ( 1.773 1.905 0.000) 2.602 3.889 ( 4.630 -0.654 0.000) 4.676 6.184 ( -17.250 0.494 0.000) 17.257 6.202 ( -11.577 -0.218 0.000) 11.579 6.307 ( -6.438 -5.736 0.000) 8.623 6.423 ( -0.628 -3.645 0.000) 3.699 6.699 ( -0.877 1.082 0.000) 1.392 6.855 ( -5.248 1.461 0.000) 5.447 6.887 ( -5.770 0.390 0.000) 5.783 6.959 ( 0.196 -4.025 0.000) 4.030 6.989 ( 0.631 -0.253 0.000) 0.679 7.109 ( 0.704 2.797 0.000) 2.884 7.331 ( 3.222 -2.042 0.000) 3.815 7.416 ( -3.784 1.792 0.000) 4.187 7.588 ( 4.568 -1.685 0.000) 4.869 7.720 ( -2.275 1.812 0.000) 2.909 7.791 ( -4.353 -1.390 0.000) 4.570 7.875 ( 0.705 2.102 0.000) 2.217 8.411 ( 9.110 -3.586 0.000) 9.791 8.785 ( 2.882 -0.097 0.000) 2.884 9.165 ( 2.815 -2.127 0.000) 3.528 9.173 ( 0.290 -0.144 0.000) 0.323 9.588 ( 5.792 0.368 0.000) 5.804 9.780 ( 4.356 1.695 0.000) 4.674 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -6.517 11.113 0.000) 12.883 1.364 ( -0.789 22.320 0.000) 22.334 1.611 ( -4.067 2.348 0.000) 4.696 1.717 ( -4.087 3.232 0.000) 5.210 1.852 ( -5.898 0.571 0.000) 5.926 1.939 ( -10.015 3.845 0.000) 10.728 1.967 ( -4.794 -1.624 0.000) 5.062 2.037 ( -7.608 3.372 0.000) 8.322 2.041 ( -4.297 -1.929 0.000) 4.710 2.170 ( -10.774 -5.589 0.000) 12.138 2.249 ( -8.384 -3.350 0.000) 9.028 2.291 ( -11.548 5.869 0.000) 12.954 2.415 ( -1.569 -2.494 0.000) 2.947 2.654 ( -3.684 0.554 0.000) 3.725 2.663 ( -6.728 -3.757 0.000) 7.706 2.783 ( -3.349 1.867 0.000) 3.834 2.906 ( -2.774 -3.931 0.000) 4.811 3.284 ( -0.443 0.060 0.000) 0.447 3.367 ( 0.733 1.006 0.000) 1.245 3.428 ( 1.949 -3.083 0.000) 3.647 3.515 ( 0.315 -0.842 0.000) 0.899 3.592 ( 1.045 0.421 0.000) 1.127 3.601 ( 0.463 -9.418 0.000) 9.430 3.770 ( 2.143 0.454 0.000) 2.190 3.843 ( 3.069 1.290 0.000) 3.329 3.979 ( 3.982 -0.349 0.000) 3.997 5.740 ( -22.209 1.526 0.000) 22.262 5.764 ( -26.135 -1.700 0.000) 26.191 6.305 ( -0.256 -4.095 0.000) 4.103 6.444 ( 1.054 -1.640 0.000) 1.949 6.683 ( -1.159 0.449 0.000) 1.243 6.814 ( -0.125 0.260 0.000) 0.288 6.871 ( 1.436 -0.679 0.000) 1.588 7.014 ( 2.277 -4.842 0.000) 5.351 7.040 ( 3.435 -0.748 0.000) 3.516 7.093 ( 0.183 5.172 0.000) 5.175 7.345 ( -2.155 2.838 0.000) 3.563 7.408 ( 4.019 -2.054 0.000) 4.513 7.606 ( -5.583 2.096 0.000) 5.963 7.678 ( 3.226 -2.245 0.000) 3.930 7.684 ( -6.408 -1.104 0.000) 6.502 7.945 ( 3.940 1.429 0.000) 4.191 8.570 ( 5.428 -1.882 0.000) 5.745 8.822 ( 1.017 -0.326 0.000) 1.068 9.186 ( 0.706 -0.225 0.000) 0.741 9.228 ( 2.194 -2.090 0.000) 3.030 9.693 ( 4.652 -0.039 0.000) 4.653 9.839 ( 2.767 2.461 0.000) 3.703 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 0.000 14.991 0.000) 14.991 1.238 ( 0.000 22.685 0.000) 22.685 1.553 ( 0.000 5.305 0.000) 5.305 1.621 ( 0.000 7.443 0.000) 7.443 1.700 ( 0.000 25.787 0.000) 25.787 1.785 ( 0.000 2.249 0.000) 2.249 1.905 ( -0.000 -6.135 0.000) 6.135 1.916 ( 0.000 5.128 0.000) 5.128 2.075 ( -0.000 -4.291 0.000) 4.291 2.078 ( -0.000 -4.897 0.000) 4.897 2.134 ( -0.000 -1.298 0.000) 1.298 2.236 ( -0.000 -5.618 0.000) 5.618 2.443 ( -0.000 -8.849 0.000) 8.849 2.607 ( -0.000 -2.322 0.000) 2.322 2.639 ( -0.000 -1.743 0.000) 1.743 2.740 ( 0.000 2.179 0.000) 2.179 2.908 ( -0.000 -6.514 0.000) 6.514 3.255 ( 0.000 7.556 0.000) 7.556 3.388 ( -0.000 -2.465 0.000) 2.465 3.466 ( -0.000 -3.010 0.000) 3.010 3.527 ( -0.000 -2.060 0.000) 2.060 3.601 ( 0.000 0.534 0.000) 0.534 3.662 ( -0.000 -11.266 0.000) 11.266 3.789 ( 0.000 0.282 0.000) 0.282 3.880 ( 0.000 0.283 0.000) 0.283 4.030 ( -0.000 -1.633 0.000) 1.633 5.445 ( 0.000 3.554 0.000) 3.554 5.486 ( 0.000 2.994 0.000) 2.994 6.324 ( -0.000 -4.654 0.000) 4.654 6.470 ( -0.000 -2.559 0.000) 2.559 6.654 ( 0.000 3.211 0.000) 3.211 6.814 ( 0.000 0.073 0.000) 0.073 6.893 ( 0.000 0.028 0.000) 0.028 7.067 ( 0.000 4.056 0.000) 4.056 7.073 ( -0.000 -4.506 0.000) 4.506 7.088 ( -0.000 -2.902 0.000) 2.902 7.308 ( 0.000 2.420 0.000) 2.420 7.478 ( 0.000 0.313 0.000) 0.313 7.557 ( -0.000 -1.910 0.000) 1.910 7.583 ( 0.000 0.567 0.000) 0.567 7.722 ( -0.000 -1.583 0.000) 1.583 7.976 ( 0.000 1.685 0.000) 1.685 8.632 ( -0.000 -1.242 0.000) 1.242 8.833 ( -0.000 -0.450 0.000) 0.450 9.195 ( -0.000 -0.265 0.000) 0.265 9.263 ( -0.000 -2.300 0.000) 2.300 9.745 ( -0.000 -0.676 0.000) 0.676 9.851 ( 0.000 3.052 0.000) 3.052 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -10.398 -0.000 0.000) 10.398 1.821 ( 0.475 0.000 0.000) 0.475 1.858 ( -2.882 -0.000 0.000) 2.882 1.870 ( -6.023 -0.000 0.000) 6.023 1.887 ( -4.829 -0.000 0.000) 4.829 1.978 ( -5.369 -0.000 0.000) 5.369 2.154 ( -8.088 -0.000 0.000) 8.088 2.183 ( -7.813 -0.000 0.000) 7.813 2.262 ( -4.813 -0.000 0.000) 4.813 2.435 ( -2.051 -0.000 0.000) 2.051 2.670 ( -2.875 -0.000 0.000) 2.875 2.846 ( -5.669 -0.000 0.000) 5.669 2.859 ( -4.628 -0.000 0.000) 4.628 2.918 ( -14.338 -0.000 0.000) 14.338 3.012 ( -5.394 -0.000 0.000) 5.394 3.033 ( -8.488 -0.000 0.000) 8.488 3.284 ( -3.912 -0.000 0.000) 3.912 3.290 ( -2.617 -0.000 0.000) 2.617 3.387 ( -0.190 -0.000 0.000) 0.190 3.437 ( 3.945 0.000 0.000) 3.945 3.519 ( -12.679 -0.000 0.000) 12.679 3.576 ( -7.264 -0.000 0.000) 7.264 3.592 ( -1.232 -0.000 0.000) 1.232 3.665 ( 2.003 0.000 0.000) 2.003 3.808 ( -0.080 -0.000 0.000) 0.080 3.821 ( -2.164 -0.000 0.000) 2.164 6.236 ( -2.053 -0.000 0.000) 2.053 6.321 ( 1.283 0.000 0.000) 1.283 6.390 ( 0.048 0.000 0.000) 0.048 6.399 ( -2.341 -0.000 0.000) 2.341 6.711 ( 0.429 0.000 0.000) 0.429 6.910 ( -0.114 -0.000 0.000) 0.114 7.005 ( -3.248 -0.000 0.000) 3.248 7.095 ( 2.014 0.000 0.000) 2.014 7.103 ( -12.835 -0.000 0.000) 12.835 7.166 ( -17.459 -0.000 0.000) 17.459 7.239 ( 4.454 0.000 0.000) 4.454 7.483 ( 4.707 0.000 0.000) 4.707 7.519 ( -5.774 -0.000 0.000) 5.774 7.650 ( 6.516 0.000 0.000) 6.516 7.846 ( -2.261 -0.000 0.000) 2.261 8.017 ( -9.228 -0.000 0.000) 9.228 8.178 ( 9.712 0.000 0.000) 9.712 8.703 ( 5.753 0.000 0.000) 5.753 9.099 ( 1.510 0.000 0.000) 1.510 9.176 ( -0.702 -0.000 0.000) 0.702 9.489 ( 4.705 0.000 0.000) 4.705 9.704 ( 4.720 0.000 0.000) 4.720 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -8.539 2.276 0.000) 8.837 1.720 ( -1.629 16.711 0.000) 16.790 1.736 ( -8.110 -0.263 0.000) 8.114 1.810 ( -2.957 0.867 0.000) 3.082 1.913 ( 0.541 -11.479 0.000) 11.492 1.946 ( 0.371 -1.095 0.000) 1.156 2.005 ( -6.737 1.388 0.000) 6.879 2.059 ( -6.611 -7.998 0.000) 10.376 2.165 ( -5.321 -0.039 0.000) 5.321 2.383 ( -3.256 1.950 0.000) 3.795 2.453 ( -19.035 -0.858 0.000) 19.054 2.549 ( -19.848 0.080 0.000) 19.848 2.683 ( -10.934 3.024 0.000) 11.345 2.747 ( -8.087 -4.028 0.000) 9.034 2.888 ( -6.989 0.656 0.000) 7.020 2.895 ( -6.083 0.204 0.000) 6.087 3.079 ( -11.693 11.756 0.000) 16.581 3.214 ( -6.249 -9.266 0.000) 11.177 3.379 ( -1.469 -0.236 0.000) 1.488 3.399 ( 1.321 1.385 0.000) 1.914 3.494 ( 1.658 -0.106 0.000) 1.661 3.499 ( -0.181 -2.114 0.000) 2.122 3.581 ( 0.290 0.149 0.000) 0.326 3.720 ( 3.210 0.044 0.000) 3.210 3.817 ( 1.501 0.700 0.000) 1.656 3.883 ( 5.164 -0.314 0.000) 5.174 6.189 ( -17.554 0.362 0.000) 17.557 6.213 ( -11.506 2.182 0.000) 11.712 6.250 ( -6.984 -4.294 0.000) 8.198 6.392 ( 0.728 -1.627 0.000) 1.782 6.705 ( -1.108 0.093 0.000) 1.112 6.869 ( -6.214 0.865 0.000) 6.274 6.894 ( -6.662 0.498 0.000) 6.680 6.926 ( 0.933 -1.682 0.000) 1.924 6.988 ( 0.647 -0.064 0.000) 0.650 7.131 ( 1.784 1.118 0.000) 2.106 7.315 ( 3.352 -0.728 0.000) 3.430 7.434 ( -2.973 1.045 0.000) 3.151 7.570 ( 3.987 -1.091 0.000) 4.134 7.739 ( -1.152 1.381 0.000) 1.798 7.776 ( -4.813 -1.206 0.000) 4.962 7.892 ( -0.181 0.850 0.000) 0.869 8.382 ( 10.131 -1.437 0.000) 10.233 8.784 ( 2.797 -0.038 0.000) 2.797 9.149 ( 3.091 -0.735 0.000) 3.177 9.172 ( 0.265 -0.049 0.000) 0.269 9.591 ( 5.672 0.096 0.000) 5.672 9.792 ( 4.449 0.583 0.000) 4.487 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -5.108 6.405 0.000) 8.192 1.595 ( -1.379 18.818 0.000) 18.869 1.605 ( -5.259 -1.955 0.000) 5.611 1.755 ( -2.088 2.937 0.000) 3.604 1.863 ( -5.526 1.097 0.000) 5.634 1.939 ( -5.371 -3.608 0.000) 6.470 1.963 ( -0.924 0.079 0.000) 0.927 2.015 ( -0.831 -4.941 0.000) 5.010 2.032 ( -9.730 0.769 0.000) 9.760 2.111 ( -10.575 -5.006 0.000) 11.700 2.214 ( -9.241 -1.347 0.000) 9.338 2.308 ( -9.840 -3.023 0.000) 10.294 2.473 ( -5.436 8.026 0.000) 9.694 2.629 ( -5.227 -2.080 0.000) 5.626 2.690 ( -8.009 6.166 0.000) 10.108 2.797 ( -3.478 0.731 0.000) 3.554 2.887 ( -4.253 1.397 0.000) 4.476 3.189 ( -2.986 -14.044 0.000) 14.358 3.402 ( 1.846 -1.501 0.000) 2.379 3.405 ( 0.669 3.624 0.000) 3.685 3.508 ( 0.099 -0.423 0.000) 0.434 3.538 ( 1.949 -2.508 0.000) 3.176 3.596 ( 1.016 0.254 0.000) 1.047 3.776 ( 2.379 0.459 0.000) 2.422 3.851 ( 1.987 0.302 0.000) 2.010 3.975 ( 3.774 -0.290 0.000) 3.785 5.753 ( -21.601 0.876 0.000) 21.619 5.755 ( -24.206 -0.258 0.000) 24.207 6.269 ( 0.682 -2.191 0.000) 2.295 6.428 ( 1.758 -1.045 0.000) 2.046 6.678 ( -1.713 -0.872 0.000) 1.922 6.815 ( -0.818 0.007 0.000) 0.818 6.867 ( 1.252 -0.113 0.000) 1.257 6.968 ( 1.733 -2.937 0.000) 3.410 7.037 ( 3.627 -0.031 0.000) 3.627 7.144 ( 0.851 3.505 0.000) 3.607 7.382 ( -1.315 3.483 0.000) 3.723 7.391 ( 4.418 -1.111 0.000) 4.555 7.629 ( -5.974 1.983 0.000) 6.295 7.647 ( 2.629 -2.951 0.000) 3.952 7.669 ( -6.539 -1.556 0.000) 6.721 7.958 ( 3.888 0.808 0.000) 3.971 8.552 ( 6.153 -1.234 0.000) 6.275 8.819 ( 0.948 -0.193 0.000) 0.967 9.184 ( 0.704 -0.120 0.000) 0.714 9.210 ( 2.374 -1.092 0.000) 2.613 9.692 ( 4.358 -0.058 0.000) 4.358 9.860 ( 2.879 1.318 0.000) 3.167 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.000 10.325 0.000) 10.325 1.470 ( 0.000 18.761 0.000) 18.761 1.567 ( -0.000 -2.006 0.000) 2.006 1.695 ( 0.000 5.662 0.000) 5.662 1.799 ( -0.000 -0.304 0.000) 0.304 1.850 ( 0.000 6.119 0.000) 6.119 1.865 ( -0.000 -1.063 0.000) 1.063 2.029 ( -0.000 -3.711 0.000) 3.711 2.033 ( -0.000 -3.361 0.000) 3.361 2.058 ( 0.000 11.159 0.000) 11.159 2.118 ( -0.000 -1.572 0.000) 1.572 2.170 ( -0.000 -5.830 0.000) 5.830 2.389 ( 0.000 2.964 0.000) 2.964 2.587 ( -0.000 -1.262 0.000) 1.262 2.621 ( -0.000 -1.386 0.000) 1.386 2.758 ( 0.000 1.081 0.000) 1.081 2.852 ( -0.000 -3.250 0.000) 3.250 3.240 ( -0.000 -12.146 0.000) 12.146 3.387 ( 0.000 4.247 0.000) 4.247 3.434 ( -0.000 -2.299 0.000) 2.299 3.512 ( -0.000 -0.841 0.000) 0.841 3.577 ( -0.000 -3.767 0.000) 3.767 3.606 ( 0.000 0.279 0.000) 0.279 3.796 ( 0.000 0.784 0.000) 0.784 3.877 ( -0.000 -0.671 0.000) 0.671 4.017 ( -0.000 -0.732 0.000) 0.732 5.477 ( 0.000 2.241 0.000) 2.241 5.513 ( 0.000 1.842 0.000) 1.842 6.286 ( -0.000 -2.320 0.000) 2.320 6.452 ( -0.000 -0.731 0.000) 0.731 6.662 ( -0.000 -0.886 0.000) 0.886 6.811 ( -0.000 -0.545 0.000) 0.545 6.888 ( -0.000 -0.758 0.000) 0.758 7.010 ( -0.000 -4.769 0.000) 4.769 7.082 ( -0.000 -0.017 0.000) 0.017 7.127 ( 0.000 5.397 0.000) 5.397 7.345 ( 0.000 4.266 0.000) 4.266 7.481 ( 0.000 0.227 0.000) 0.227 7.536 ( -0.000 -1.650 0.000) 1.650 7.588 ( 0.000 0.320 0.000) 0.320 7.693 ( -0.000 -3.462 0.000) 3.462 7.992 ( 0.000 1.142 0.000) 1.142 8.619 ( -0.000 -1.057 0.000) 1.057 8.829 ( -0.000 -0.330 0.000) 0.330 9.193 ( -0.000 -0.171 0.000) 0.171 9.242 ( -0.000 -1.465 0.000) 1.465 9.740 ( -0.000 -0.387 0.000) 0.387 9.880 ( 0.000 2.030 0.000) 2.030 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -4.622 -0.000 0.000) 4.622 1.591 ( -5.793 -0.000 0.000) 5.793 1.743 ( -1.955 -0.000 0.000) 1.955 1.772 ( -1.569 -0.000 0.000) 1.569 1.839 ( -9.685 -0.000 0.000) 9.685 1.914 ( 1.029 0.000 0.000) 1.029 1.963 ( 1.365 0.000 0.000) 1.365 1.976 ( 1.430 0.000 0.000) 1.430 2.054 ( -18.323 -0.000 0.000) 18.323 2.067 ( -4.611 -0.000 0.000) 4.611 2.214 ( -11.955 -0.000 0.000) 11.955 2.284 ( -9.405 -0.000 0.000) 9.405 2.515 ( -3.208 -0.000 0.000) 3.208 2.618 ( -4.344 -0.000 0.000) 4.344 2.739 ( -8.878 -0.000 0.000) 8.878 2.801 ( -3.514 -0.000 0.000) 3.514 2.934 ( -7.916 -0.000 0.000) 7.916 3.061 ( -3.174 -0.000 0.000) 3.174 3.394 ( 1.810 0.000 0.000) 1.810 3.427 ( 0.965 0.000 0.000) 0.965 3.506 ( 0.053 0.000 0.000) 0.053 3.526 ( 2.436 0.000 0.000) 2.436 3.597 ( 0.955 0.000 0.000) 0.955 3.779 ( 2.508 0.000 0.000) 2.508 3.853 ( 1.618 0.000 0.000) 1.618 3.973 ( 3.698 0.000 0.000) 3.698 5.754 ( -23.675 -0.000 0.000) 23.675 5.758 ( -21.451 -0.000 0.000) 21.451 6.257 ( 1.181 0.000 0.000) 1.181 6.422 ( 2.227 0.000 0.000) 2.227 6.672 ( -1.951 -0.000 0.000) 1.951 6.815 ( -1.135 -0.000 0.000) 1.135 6.866 ( 0.942 0.000 0.000) 0.942 6.952 ( 1.586 0.000 0.000) 1.586 7.037 ( 3.667 0.000 0.000) 3.667 7.164 ( 1.028 0.000 0.000) 1.028 7.384 ( 4.549 0.000 0.000) 4.549 7.406 ( -0.602 -0.000 0.000) 0.602 7.627 ( 2.187 0.000 0.000) 2.187 7.649 ( -7.245 -0.000 0.000) 7.245 7.651 ( -5.484 -0.000 0.000) 5.484 7.963 ( 3.853 0.000 0.000) 3.853 8.545 ( 6.439 0.000 0.000) 6.439 8.818 ( 0.924 0.000 0.000) 0.924 9.183 ( 0.704 0.000 0.000) 0.704 9.204 ( 2.437 0.000 0.000) 2.437 9.692 ( 4.273 0.000 0.000) 4.273 9.868 ( 2.922 0.000 0.000) 2.922 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 0.000 3.795 0.000) 3.795 1.538 ( -0.000 -1.942 0.000) 1.942 1.651 ( 0.000 13.570 0.000) 13.570 1.741 ( 0.000 2.287 0.000) 2.287 1.764 ( -0.000 -6.445 0.000) 6.445 1.865 ( 0.000 0.377 0.000) 0.377 1.911 ( 0.000 4.616 0.000) 4.616 1.998 ( -0.000 -1.638 0.000) 1.638 2.006 ( -0.000 -1.345 0.000) 1.345 2.069 ( -0.000 -4.031 0.000) 4.031 2.104 ( -0.000 -0.477 0.000) 0.477 2.118 ( -0.000 -2.950 0.000) 2.950 2.504 ( 0.000 10.514 0.000) 10.514 2.578 ( -0.000 -0.328 0.000) 0.328 2.610 ( -0.000 -0.566 0.000) 0.566 2.766 ( 0.000 0.281 0.000) 0.281 2.844 ( 0.000 1.937 0.000) 1.937 3.076 ( -0.000 -13.020 0.000) 13.020 3.418 ( -0.000 -0.701 0.000) 0.701 3.430 ( 0.000 2.304 0.000) 2.304 3.506 ( -0.000 -0.261 0.000) 0.261 3.558 ( -0.000 -0.558 0.000) 0.558 3.607 ( 0.000 0.037 0.000) 0.037 3.803 ( 0.000 0.408 0.000) 0.408 3.871 ( -0.000 -0.323 0.000) 0.323 4.012 ( -0.000 -0.286 0.000) 0.286 5.494 ( 0.000 0.733 0.000) 0.733 5.527 ( 0.000 0.597 0.000) 0.597 6.270 ( -0.000 -0.626 0.000) 0.626 6.449 ( -0.000 -0.025 0.000) 0.025 6.650 ( -0.000 -0.744 0.000) 0.744 6.805 ( -0.000 -0.311 0.000) 0.311 6.880 ( -0.000 -0.439 0.000) 0.439 6.974 ( -0.000 -1.677 0.000) 1.677 7.082 ( 0.000 0.041 0.000) 0.041 7.169 ( 0.000 1.859 0.000) 1.859 7.393 ( 0.000 3.186 0.000) 3.186 7.483 ( 0.000 0.083 0.000) 0.083 7.523 ( -0.000 -0.655 0.000) 0.655 7.590 ( 0.000 0.099 0.000) 0.099 7.656 ( -0.000 -2.472 0.000) 2.472 8.000 ( 0.000 0.403 0.000) 0.403 8.610 ( -0.000 -0.416 0.000) 0.416 8.826 ( -0.000 -0.121 0.000) 0.121 9.192 ( -0.000 -0.058 0.000) 0.058 9.231 ( -0.000 -0.500 0.000) 0.500 9.737 ( -0.000 -0.121 0.000) 0.121 9.895 ( 0.000 0.711 0.000) 0.711 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 0.000 0.000 20.591) 20.591 0.442 ( 0.000 0.000 23.694) 23.694 0.811 ( 0.000 0.000 40.689) 40.689 1.068 ( 0.000 0.000 -10.456) 10.456 1.190 ( 0.000 0.000 -15.902) 15.902 1.812 ( 0.000 0.000 8.613) 8.613 2.057 ( 0.000 0.000 -7.339) 7.339 2.076 ( 0.000 0.000 -5.518) 5.518 2.144 ( 0.000 0.000 3.548) 3.548 2.250 ( 0.000 0.000 3.483) 3.483 2.270 ( 0.000 0.000 -18.714) 18.714 2.345 ( 0.000 0.000 -1.482) 1.482 2.463 ( 0.000 0.000 2.641) 2.641 2.642 ( 0.000 0.000 -3.933) 3.933 2.686 ( 0.000 0.000 0.379) 0.379 2.703 ( 0.000 0.000 -0.383) 0.383 3.029 ( 0.000 0.000 10.217) 10.217 3.208 ( 0.000 0.000 -1.109) 1.109 3.407 ( 0.000 0.000 -0.577) 0.577 3.528 ( 0.000 0.000 -0.319) 0.319 3.539 ( 0.000 0.000 0.146) 0.146 3.557 ( 0.000 0.000 -5.934) 5.934 3.926 ( 0.000 0.000 3.271) 3.271 3.936 ( 0.000 0.000 2.341) 2.341 3.937 ( 0.000 0.000 2.547) 2.547 4.081 ( 0.000 0.000 -2.918) 2.918 5.323 ( 0.000 0.000 0.877) 0.877 5.363 ( 0.000 0.000 -0.850) 0.850 6.497 ( 0.000 0.000 0.085) 0.085 6.507 ( 0.000 0.000 -0.274) 0.274 6.651 ( 0.000 0.000 -0.095) 0.095 6.656 ( 0.000 0.000 -0.264) 0.264 6.718 ( 0.000 0.000 0.878) 0.878 6.750 ( 0.000 0.000 -0.553) 0.553 7.128 ( 0.000 0.000 2.930) 2.930 7.182 ( 0.000 0.000 1.315) 1.315 7.439 ( 0.000 0.000 -2.409) 2.409 7.481 ( 0.000 0.000 -4.618) 4.618 7.481 ( 0.000 0.000 1.381) 1.381 7.545 ( 0.000 0.000 -1.363) 1.363 7.678 ( 0.000 0.000 5.966) 5.966 7.893 ( 0.000 0.000 -4.626) 4.626 8.899 ( 0.000 0.000 5.270) 5.270 9.143 ( 0.000 0.000 -5.920) 5.920 9.379 ( 0.000 0.000 1.537) 1.537 9.392 ( 0.000 0.000 1.323) 1.323 9.676 ( 0.000 0.000 0.804) 0.804 9.727 ( 0.000 0.000 -1.320) 1.320 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 22.633 -1.911 10.808) 25.154 0.769 ( 16.016 -3.963 20.509) 26.322 1.148 ( 19.885 -4.837 -0.862) 20.483 1.209 ( 24.690 -7.112 14.232) 29.372 1.394 ( 16.020 -2.379 -13.210) 20.900 1.898 ( 7.142 -0.478 6.538) 9.695 2.059 ( 1.732 4.234 -3.395) 5.697 2.120 ( 6.421 -0.762 -1.293) 6.594 2.212 ( 4.934 4.152 -0.190) 6.451 2.296 ( 4.622 0.450 -6.268) 7.801 2.341 ( 5.926 -4.281 -5.147) 8.941 2.402 ( 5.738 -1.068 -6.279) 8.573 2.484 ( 4.777 1.242 3.586) 6.101 2.616 ( 0.006 1.469 -1.999) 2.481 2.710 ( 2.684 0.364 0.603) 2.775 2.779 ( 5.886 0.467 -2.395) 6.372 3.033 ( 0.594 -0.725 8.428) 8.480 3.178 ( -1.813 1.883 -1.404) 2.967 3.383 ( -1.781 1.383 -0.246) 2.269 3.486 ( -2.906 0.572 -1.308) 3.238 3.526 ( -1.153 0.271 -0.536) 1.300 3.548 ( -1.508 -3.254 -2.526) 4.387 3.801 ( -3.324 -0.433 8.460) 9.100 3.870 ( -5.146 1.800 3.618) 6.543 3.917 ( -2.309 -1.815 0.732) 3.027 4.018 ( -5.633 2.535 -2.871) 6.811 5.699 ( 30.038 -0.046 1.875) 30.096 6.058 ( 30.616 7.055 -21.758) 38.217 6.384 ( -4.401 2.586 1.466) 5.311 6.471 ( -0.243 -3.943 -5.799) 7.017 6.713 ( 2.529 0.497 -2.084) 3.315 6.736 ( 1.454 -0.238 -2.118) 2.580 6.785 ( 6.153 -2.421 0.816) 6.663 6.894 ( 14.994 -3.068 -8.809) 17.659 7.073 ( -3.687 0.358 3.647) 5.198 7.143 ( -3.299 0.867 1.184) 3.611 7.376 ( -3.035 4.610 -1.468) 5.711 7.460 ( -3.062 -3.267 -5.791) 7.321 7.564 ( 6.051 -0.460 2.023) 6.397 7.621 ( 4.507 2.091 0.134) 4.970 7.663 ( 0.068 -2.420 3.572) 4.315 7.864 ( -2.724 -0.310 -4.673) 5.418 8.886 ( -1.291 0.257 5.276) 5.438 8.994 ( -17.196 6.298 17.434) 25.285 9.164 ( -3.006 0.465 -1.106) 3.236 9.332 ( -4.180 1.771 -1.765) 4.870 9.645 ( -3.876 -2.667 1.693) 5.000 9.708 ( -2.433 -1.919 -0.568) 3.150 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 15.797 -3.215 14.433) 21.638 1.135 ( 23.661 -0.292 4.657) 24.117 1.442 ( 14.902 -2.938 -6.570) 16.549 1.668 ( 9.733 -1.965 -10.530) 14.473 1.934 ( 31.323 -6.159 8.530) 33.043 2.025 ( 7.078 -3.320 2.076) 8.089 2.084 ( 2.559 2.766 -3.155) 4.915 2.273 ( 5.214 3.461 4.521) 7.721 2.285 ( 7.995 -0.061 7.226) 10.776 2.446 ( 6.632 -0.178 -2.038) 6.940 2.493 ( 11.009 2.174 -3.342) 11.709 2.612 ( 14.000 -2.673 -7.873) 16.283 2.630 ( 10.324 -0.016 -2.103) 10.536 2.654 ( 5.059 1.763 -1.661) 5.609 2.805 ( 8.769 1.489 0.935) 8.944 2.906 ( 7.559 -0.106 -2.923) 8.105 3.072 ( 2.899 -0.757 4.108) 5.084 3.134 ( -1.340 1.250 -0.612) 1.932 3.337 ( -2.219 0.197 0.233) 2.240 3.425 ( -3.456 -0.093 -0.952) 3.586 3.494 ( -1.838 0.613 -1.948) 2.747 3.530 ( -2.090 -2.337 -2.670) 4.118 3.715 ( -7.964 3.022 3.373) 9.162 3.780 ( -2.583 -0.980 5.405) 6.071 3.858 ( -7.446 2.415 -1.779) 8.027 3.890 ( -1.395 -1.002 0.461) 1.779 6.208 ( 7.364 1.411 -0.644) 7.526 6.244 ( 3.520 -0.604 -3.002) 4.666 6.413 ( 16.363 -2.593 5.136) 17.345 6.548 ( 1.529 2.674 -0.408) 3.107 6.720 ( 0.269 1.535 0.186) 1.569 6.837 ( 8.939 0.846 -5.707) 10.640 6.913 ( 4.878 -1.374 0.490) 5.091 7.015 ( -0.660 0.192 -0.251) 0.732 7.063 ( -0.498 3.450 1.372) 3.746 7.195 ( 10.596 3.248 -9.150) 14.372 7.310 ( -0.315 2.664 -0.563) 2.741 7.415 ( -2.675 -4.120 -5.638) 7.478 7.546 ( -5.492 -0.382 3.657) 6.609 7.684 ( -1.754 0.096 -1.701) 2.445 7.751 ( 5.725 -1.902 1.143) 6.140 7.855 ( 4.796 1.154 -3.178) 5.868 8.733 ( -7.091 4.256 16.400) 18.368 8.848 ( -2.767 0.051 5.854) 6.475 9.132 ( -1.250 0.085 -5.302) 5.448 9.224 ( -4.751 3.864 -8.339) 10.346 9.579 ( -4.070 -2.792 4.328) 6.564 9.659 ( -3.831 -2.557 0.138) 4.608 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 14.989 -2.254 7.395) 16.865 1.560 ( 20.395 2.016 0.820) 20.511 1.732 ( 13.135 -1.079 -4.075) 13.794 1.809 ( 4.898 -0.971 -5.827) 7.674 2.074 ( 2.663 -0.298 -4.093) 4.892 2.107 ( 1.682 -0.150 -2.992) 3.435 2.375 ( 6.076 3.001 4.158) 7.950 2.386 ( 7.868 4.331 3.052) 9.486 2.496 ( 7.443 3.985 5.886) 10.291 2.598 ( 12.326 -4.994 1.816) 13.422 2.671 ( 11.364 -3.200 1.015) 11.849 2.719 ( 4.144 3.614 2.920) 6.226 2.826 ( 10.325 2.225 -0.832) 10.595 2.938 ( 11.217 -3.305 -7.153) 13.708 3.016 ( 8.700 0.473 -0.797) 8.749 3.091 ( 9.539 -0.296 -1.736) 9.700 3.122 ( 6.906 0.612 1.069) 7.015 3.162 ( 2.750 -1.170 -1.738) 3.457 3.305 ( -1.190 -0.915 2.229) 2.687 3.357 ( -3.000 -1.342 1.548) 3.633 3.466 ( 0.529 0.986 -3.760) 3.923 3.483 ( -2.833 -0.201 -2.744) 3.949 3.553 ( -6.164 0.246 -0.206) 6.172 3.640 ( -7.805 -1.086 -2.823) 8.371 3.811 ( 0.060 -0.792 5.480) 5.537 3.882 ( 0.149 -0.017 1.652) 1.659 6.253 ( 2.073 -1.415 -0.275) 2.525 6.286 ( 2.285 -1.419 -1.741) 3.204 6.501 ( -2.962 2.827 2.580) 4.840 6.613 ( 0.696 3.000 -2.352) 3.875 6.775 ( 1.902 -0.014 5.419) 5.743 6.961 ( 3.549 0.733 1.393) 3.882 7.006 ( 0.210 -0.481 -4.698) 4.728 7.018 ( 4.686 -0.051 -1.010) 4.794 7.164 ( 13.235 3.065 2.191) 13.761 7.250 ( 1.775 5.268 0.046) 5.559 7.354 ( 1.401 0.414 -0.515) 1.549 7.432 ( -5.685 -2.076 0.641) 6.086 7.471 ( 6.404 -1.900 -4.836) 8.247 7.566 ( -7.925 -1.342 -2.829) 8.521 7.865 ( 4.151 -0.478 2.182) 4.714 7.978 ( 6.680 0.558 -2.885) 7.298 8.610 ( -3.766 6.534 11.472) 13.728 8.777 ( -4.666 -0.171 7.665) 8.975 9.110 ( -1.374 0.925 -8.825) 8.979 9.124 ( -2.588 4.031 -11.823) 12.757 9.528 ( -2.705 -2.178 6.114) 7.031 9.598 ( -3.822 -3.147 1.227) 5.101 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 12.553 -0.964 2.777) 12.892 1.873 ( 8.140 1.807 -0.793) 8.376 1.890 ( 7.890 0.568 -4.343) 9.024 1.930 ( 6.867 0.025 -2.723) 7.387 2.136 ( 4.206 0.217 -1.661) 4.528 2.170 ( 4.636 -1.511 -3.139) 5.799 2.447 ( 4.024 5.645 2.331) 7.314 2.488 ( 4.307 5.742 0.716) 7.214 2.565 ( 5.832 3.310 5.064) 8.403 2.696 ( 1.850 5.384 -0.406) 5.707 2.753 ( 2.569 0.285 2.144) 3.358 2.926 ( 3.292 4.251 -0.115) 5.378 2.957 ( 3.196 2.380 3.272) 5.156 3.049 ( -0.117 -0.747 -2.404) 2.520 3.095 ( 2.393 -2.288 -1.764) 3.751 3.101 ( 0.088 -0.450 -1.640) 1.703 3.219 ( -4.965 -0.924 4.303) 6.635 3.232 ( 3.103 -0.905 -0.244) 3.242 3.277 ( 3.263 -0.531 -1.405) 3.592 3.334 ( -3.018 -3.532 4.800) 6.680 3.476 ( -1.128 -1.597 -6.151) 6.454 3.539 ( -2.355 -5.763 -4.675) 7.785 3.625 ( 12.537 -3.781 -0.727) 13.115 3.650 ( 11.809 -3.112 -2.475) 12.460 3.836 ( 3.519 -0.086 5.404) 6.449 3.908 ( 3.952 0.103 1.669) 4.292 6.304 ( 2.356 1.280 -0.918) 2.834 6.344 ( 2.134 0.965 -2.487) 3.417 6.461 ( 1.827 1.808 4.311) 5.019 6.594 ( 0.543 2.480 -0.917) 2.699 6.772 ( 0.272 0.848 3.214) 3.335 6.967 ( -2.738 0.096 -4.322) 5.117 6.998 ( 0.727 1.153 1.782) 2.244 7.088 ( 1.089 0.683 -1.022) 1.642 7.231 ( -0.702 1.917 2.551) 3.267 7.331 ( -1.434 0.833 -1.666) 2.351 7.359 ( 0.085 -1.813 0.553) 1.897 7.408 ( 1.345 -1.431 -1.860) 2.705 7.478 ( 2.793 -0.715 2.028) 3.525 7.617 ( 6.954 0.110 -4.771) 8.434 7.907 ( 0.067 -0.365 3.766) 3.784 8.071 ( 2.186 -1.149 -4.628) 5.245 8.497 ( -3.330 8.872 10.515) 14.155 8.676 ( -5.710 -0.373 10.391) 11.863 9.042 ( -2.106 4.718 -15.854) 16.675 9.102 ( -0.622 -0.013 -9.904) 9.924 9.494 ( -1.937 -1.241 6.886) 7.260 9.551 ( -2.887 -2.956 2.561) 4.861 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 6.629 -0.202 0.329) 6.640 1.915 ( 1.461 -0.193 0.434) 1.536 2.000 ( 3.227 -0.073 -2.767) 4.251 2.071 ( 5.954 0.411 -6.592) 8.892 2.232 ( 5.624 1.642 1.741) 6.112 2.286 ( 5.942 -0.595 -2.657) 6.536 2.448 ( 0.087 8.818 1.769) 8.994 2.512 ( 1.314 4.231 0.286) 4.440 2.665 ( 5.394 3.391 2.197) 6.739 2.691 ( 2.634 6.458 2.875) 7.544 2.761 ( -2.073 2.611 -1.866) 3.821 2.852 ( -3.809 1.051 -0.085) 3.953 2.945 ( 0.474 1.495 3.013) 3.397 3.002 ( -2.268 -2.160 -1.163) 3.341 3.106 ( -1.355 -0.708 1.282) 1.996 3.124 ( -5.200 -1.363 3.749) 6.553 3.197 ( 2.491 -2.546 -2.163) 4.167 3.289 ( -0.580 1.120 -3.357) 3.586 3.301 ( 1.281 -1.820 4.131) 4.692 3.364 ( 3.868 -4.131 1.040) 5.754 3.491 ( 0.649 -2.293 -4.449) 5.047 3.529 ( -1.445 -6.240 -6.201) 8.915 3.741 ( 0.758 -0.594 3.918) 4.035 3.797 ( 1.974 3.013 0.523) 3.640 4.011 ( 11.375 -2.835 3.023) 12.107 4.117 ( 12.984 -4.206 -1.655) 13.748 6.310 ( -0.033 2.457 -1.140) 2.708 6.347 ( 0.322 3.863 -2.280) 4.497 6.552 ( 6.454 0.375 3.731) 7.465 6.627 ( 3.684 1.302 3.379) 5.166 6.806 ( 3.832 1.197 -0.011) 4.015 6.913 ( -2.816 -0.288 -2.527) 3.794 6.973 ( -3.153 -0.245 1.171) 3.372 7.053 ( -2.534 -0.427 -2.552) 3.621 7.237 ( -0.596 1.789 -0.353) 1.918 7.274 ( -1.248 0.583 -1.426) 1.983 7.347 ( -0.738 -1.446 2.642) 3.100 7.438 ( 1.176 -2.147 -2.442) 3.458 7.567 ( 3.858 0.759 3.037) 4.968 7.727 ( 3.961 0.489 -5.461) 6.764 7.885 ( -1.683 0.002 3.675) 4.042 8.066 ( -2.955 -1.507 -4.894) 5.912 8.396 ( -2.380 7.247 10.738) 13.172 8.574 ( -4.725 -0.616 13.239) 14.071 8.988 ( -0.939 3.602 -16.881) 17.286 9.087 ( -1.138 -0.474 -12.244) 12.306 9.467 ( -1.305 -0.714 7.253) 7.404 9.517 ( -2.048 -1.808 3.770) 4.655 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 0.678 0.003 0.473) 0.827 1.944 ( 0.285 -0.412 -0.514) 0.718 2.072 ( 3.006 0.225 -2.415) 3.862 2.140 ( 1.514 -0.418 -5.028) 5.267 2.298 ( 1.844 2.204 3.067) 4.203 2.390 ( 2.042 -0.052 -1.472) 2.518 2.391 ( 1.069 1.776 -1.000) 2.301 2.483 ( -1.719 3.800 -3.272) 5.301 2.696 ( -1.539 1.599 1.234) 2.539 2.716 ( 2.261 2.643 0.108) 3.480 2.738 ( 2.515 1.313 2.689) 3.909 2.815 ( -1.089 -1.427 -0.520) 1.869 2.981 ( 2.459 0.918 2.924) 3.929 2.993 ( 1.076 -1.303 1.424) 2.210 3.036 ( -4.037 -1.007 4.051) 5.807 3.059 ( -3.381 -0.519 2.705) 4.361 3.230 ( 0.077 -1.369 -2.893) 3.202 3.273 ( -0.110 0.996 -4.926) 5.027 3.323 ( 0.384 -0.719 3.818) 3.904 3.432 ( 1.223 -0.992 -1.102) 1.922 3.514 ( 0.474 -1.761 -2.537) 3.125 3.545 ( -0.095 -2.814 -4.900) 5.652 3.744 ( -0.166 -0.377 3.810) 3.832 3.792 ( 0.185 2.776 0.865) 2.913 4.186 ( 4.536 -1.292 3.373) 5.798 4.321 ( 5.207 -1.907 -2.527) 6.094 6.299 ( -0.021 0.883 -0.988) 1.326 6.329 ( -0.134 1.799 -2.369) 2.978 6.653 ( 3.012 0.003 5.277) 6.076 6.700 ( 4.085 2.023 5.321) 7.006 6.864 ( -1.907 -0.156 -0.352) 1.946 6.883 ( 2.054 0.329 -0.162) 2.087 6.909 ( -1.652 -1.861 -2.862) 3.793 7.028 ( -0.717 -0.208 -5.857) 5.904 7.193 ( -1.759 0.753 0.683) 2.032 7.226 ( -2.433 0.544 0.214) 2.502 7.378 ( 1.579 -0.304 1.334) 2.090 7.472 ( 0.973 -0.862 -3.933) 4.142 7.632 ( 4.233 0.725 4.009) 5.875 7.723 ( -4.284 -0.672 1.925) 4.744 7.883 ( 1.795 1.787 -4.617) 5.266 8.013 ( -2.569 -1.836 -6.537) 7.259 8.329 ( -1.213 2.960 14.386) 14.738 8.512 ( -1.855 -0.465 13.818) 13.950 8.966 ( -0.034 1.402 -16.955) 17.013 9.068 ( -0.792 -0.372 -13.750) 13.778 9.453 ( -0.456 -0.231 7.308) 7.325 9.495 ( -0.805 -0.579 4.561) 4.668 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 16.355 0.000 14.857) 22.095 1.136 ( 24.561 0.000 4.219) 24.920 1.425 ( 15.701 0.000 -6.340) 16.933 1.657 ( 10.293 0.000 -11.029) 15.086 1.892 ( 36.742 0.000 12.036) 38.663 2.010 ( 3.943 0.000 0.870) 4.038 2.101 ( 1.126 0.000 -3.212) 3.403 2.285 ( 7.875 0.000 6.973) 10.518 2.297 ( 4.912 0.000 5.717) 7.537 2.439 ( 8.884 0.000 -4.963) 10.177 2.515 ( 8.528 0.000 -1.932) 8.745 2.582 ( 16.013 0.000 -13.984) 21.259 2.635 ( 9.755 0.000 1.409) 9.857 2.667 ( 4.610 0.000 -0.663) 4.657 2.814 ( 8.920 0.000 0.717) 8.949 2.905 ( 7.218 0.000 -2.815) 7.747 3.066 ( 3.397 0.000 5.533) 6.493 3.142 ( -2.237 -0.000 -1.066) 2.478 3.338 ( -2.867 -0.000 0.018) 2.867 3.424 ( -3.541 -0.000 -0.570) 3.586 3.504 ( -1.710 -0.000 -3.988) 4.339 3.510 ( -1.389 -0.000 -0.728) 1.569 3.734 ( -8.933 -0.000 3.028) 9.432 3.772 ( -0.983 -0.000 6.257) 6.334 3.873 ( -9.184 -0.000 -2.349) 9.480 3.884 ( -0.832 -0.000 0.511) 0.977 6.220 ( -0.228 -0.000 -0.940) 0.968 6.235 ( 8.621 0.000 -2.806) 9.066 6.398 ( 17.833 0.000 5.610) 18.695 6.564 ( 0.755 0.000 -0.499) 0.905 6.729 ( -0.043 -0.000 -0.153) 0.159 6.842 ( 9.801 0.000 -7.828) 12.544 6.905 ( 4.924 0.000 1.971) 5.304 7.016 ( -0.737 -0.000 0.063) 0.739 7.084 ( -1.262 -0.000 1.761) 2.167 7.211 ( 14.485 0.000 -10.477) 17.877 7.346 ( -1.083 -0.000 -1.516) 1.863 7.373 ( -4.211 -0.000 -5.110) 6.621 7.544 ( -5.758 -0.000 3.577) 6.778 7.686 ( -3.441 -0.000 -2.314) 4.147 7.739 ( 7.601 0.000 1.866) 7.826 7.862 ( 4.955 0.000 -3.878) 6.292 8.759 ( -7.554 -0.000 17.909) 19.437 8.848 ( -2.810 -0.000 5.863) 6.502 9.132 ( -1.250 -0.000 -5.333) 5.478 9.247 ( -4.749 -0.000 -7.792) 9.125 9.562 ( -3.717 -0.000 4.023) 5.478 9.643 ( -3.734 -0.000 -0.063) 3.734 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 15.784 -0.797 7.601) 17.537 1.578 ( 20.968 0.985 0.195) 20.992 1.724 ( 14.091 -0.375 -3.617) 14.552 1.801 ( 5.295 -0.383 -6.588) 8.460 2.068 ( 2.658 -0.421 -4.019) 4.837 2.107 ( 0.597 0.039 -2.367) 2.442 2.395 ( 4.969 0.936 7.318) 8.895 2.425 ( 8.433 2.014 3.249) 9.259 2.521 ( 24.085 -0.583 7.135) 25.127 2.576 ( 5.043 2.497 0.412) 5.642 2.624 ( 5.944 -4.196 0.132) 7.277 2.757 ( 4.133 1.897 1.324) 4.736 2.844 ( 11.159 0.834 -0.514) 11.202 2.909 ( 12.039 -1.618 -8.912) 15.065 3.019 ( 7.767 0.086 -1.205) 7.861 3.091 ( 12.124 0.143 -2.203) 12.323 3.121 ( 3.704 -0.372 0.759) 3.799 3.158 ( 4.296 0.136 -0.069) 4.299 3.299 ( -0.085 -0.284 2.900) 2.915 3.346 ( -4.545 -0.515 1.560) 4.833 3.473 ( -1.592 0.345 -2.512) 2.994 3.483 ( -0.448 0.125 -4.158) 4.184 3.555 ( -7.993 0.145 -0.390) 8.004 3.630 ( -11.205 -0.556 -2.832) 11.570 3.805 ( 0.617 -0.255 5.737) 5.776 3.882 ( 0.601 -0.031 1.525) 1.640 6.241 ( 2.685 -0.584 -0.250) 2.759 6.274 ( 2.419 -0.591 -1.825) 3.087 6.523 ( -3.027 1.006 2.702) 4.180 6.635 ( 1.213 0.999 -2.343) 2.822 6.775 ( 2.110 -0.005 5.352) 5.753 6.968 ( 3.162 0.368 1.470) 3.507 7.000 ( 2.750 -0.362 -4.613) 5.383 7.019 ( 3.106 0.061 -0.975) 3.256 7.195 ( 12.795 1.864 2.304) 13.133 7.298 ( -1.266 2.792 0.025) 3.065 7.352 ( 1.533 -0.393 -0.341) 1.619 7.412 ( -6.671 -1.360 2.932) 7.413 7.454 ( 8.923 -0.951 -7.891) 11.949 7.555 ( -8.474 -0.493 -3.181) 9.065 7.861 ( 4.377 -0.185 2.244) 4.922 7.983 ( 5.929 0.230 -3.418) 6.848 8.663 ( -2.981 2.617 12.031) 12.668 8.775 ( -4.803 -0.118 7.557) 8.955 9.112 ( -0.846 0.053 -7.602) 7.649 9.162 ( -3.442 1.906 -12.376) 12.986 9.510 ( -1.934 -0.845 5.603) 5.987 9.571 ( -3.909 -1.449 1.434) 4.408 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 13.176 -0.500 2.654) 13.450 1.877 ( 2.757 -0.166 -1.204) 3.013 1.908 ( 12.710 1.724 -5.365) 13.903 1.930 ( 6.823 -0.067 -2.421) 7.240 2.136 ( 4.723 -0.071 -2.589) 5.387 2.157 ( 5.046 -0.758 -1.792) 5.408 2.481 ( 4.752 1.341 5.493) 7.386 2.553 ( 4.082 4.883 -0.073) 6.365 2.609 ( 5.315 4.113 2.697) 7.241 2.701 ( 3.216 -1.813 -1.220) 3.889 2.793 ( 1.774 4.312 3.735) 5.974 2.924 ( 9.544 -2.088 3.814) 10.487 3.007 ( 5.319 2.475 -2.475) 6.367 3.042 ( -0.498 1.449 1.063) 1.865 3.065 ( 4.691 -2.073 -2.275) 5.611 3.125 ( -4.610 3.425 -1.181) 5.864 3.216 ( -6.678 0.591 3.521) 7.573 3.225 ( 2.507 -0.510 0.378) 2.586 3.271 ( 0.785 -1.610 0.396) 1.834 3.299 ( -1.307 -1.538 2.016) 2.853 3.439 ( -4.844 -6.292 -3.962) 8.874 3.478 ( -1.954 -2.540 -4.695) 5.685 3.601 ( 14.619 -1.012 -3.037) 14.966 3.624 ( 11.173 -1.610 -3.497) 11.817 3.837 ( 3.409 0.105 5.727) 6.666 3.910 ( 2.787 0.211 1.962) 3.415 6.315 ( 3.928 0.720 -0.998) 4.116 6.352 ( 4.531 0.502 -2.478) 5.189 6.477 ( 0.086 1.020 4.533) 4.647 6.615 ( -0.768 1.284 -0.663) 1.636 6.780 ( 0.671 0.613 2.456) 2.619 6.968 ( -2.865 0.068 -4.780) 5.573 7.009 ( 0.756 0.741 2.830) 3.022 7.094 ( 0.835 0.368 -0.495) 1.038 7.251 ( -1.429 1.511 2.041) 2.914 7.332 ( -0.569 -0.548 -0.291) 0.842 7.348 ( -2.232 -0.089 -0.659) 2.329 7.390 ( -0.934 -1.441 -2.697) 3.197 7.473 ( 5.940 -0.250 2.497) 6.448 7.618 ( 7.388 0.022 -4.948) 8.892 7.903 ( 0.071 -0.200 3.703) 3.709 8.061 ( 1.738 -0.657 -4.309) 4.692 8.580 ( -3.483 5.700 10.030) 12.051 8.670 ( -5.966 -0.590 10.034) 11.689 9.083 ( -2.241 2.388 -13.589) 13.978 9.104 ( -1.254 0.450 -11.452) 11.530 9.485 ( -1.385 -0.216 6.087) 6.246 9.519 ( -2.509 -2.630 3.280) 4.895 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 6.753 -0.124 0.055) 6.755 1.912 ( 1.286 -0.265 0.126) 1.318 2.001 ( 3.537 0.207 -2.500) 4.336 2.072 ( 4.745 -0.045 -7.918) 9.231 2.251 ( 6.429 1.496 1.227) 6.714 2.280 ( 6.181 -0.325 -1.518) 6.373 2.541 ( 0.800 6.960 1.147) 7.099 2.553 ( 1.302 3.314 2.481) 4.340 2.696 ( 3.777 2.791 1.523) 4.937 2.746 ( 1.291 -0.103 -0.884) 1.568 2.783 ( -0.624 5.242 2.685) 5.923 2.899 ( -7.826 5.714 -0.854) 9.728 2.962 ( -3.254 0.559 1.762) 3.742 2.976 ( -0.354 -0.979 2.215) 2.447 3.096 ( -1.648 -1.132 0.912) 2.198 3.114 ( -4.673 -0.488 3.190) 5.679 3.169 ( 3.128 -2.336 -1.659) 4.242 3.260 ( 0.304 -5.654 2.711) 6.278 3.296 ( 0.417 -0.741 -2.733) 2.862 3.330 ( 4.901 -0.957 0.647) 5.035 3.430 ( -1.922 -7.290 -5.925) 9.589 3.486 ( 1.431 -1.430 -4.551) 4.981 3.747 ( 2.120 1.290 4.323) 4.985 3.838 ( 5.702 3.900 -1.209) 7.013 3.983 ( 10.645 -1.844 2.877) 11.180 4.066 ( 12.268 -4.741 -1.014) 13.191 6.336 ( -0.499 2.111 -0.998) 2.388 6.390 ( 0.470 3.787 -3.177) 4.966 6.550 ( 5.944 -0.653 4.243) 7.332 6.638 ( 3.955 0.525 3.834) 5.534 6.817 ( 3.499 0.860 -0.654) 3.662 6.910 ( -2.959 -0.177 -2.117) 3.643 6.970 ( -4.559 -0.246 1.730) 4.883 7.051 ( -2.511 -0.025 -2.977) 3.895 7.253 ( -2.106 1.013 -0.350) 2.363 7.281 ( -0.107 0.571 -1.170) 1.306 7.331 ( 0.174 -1.282 2.122) 2.485 7.417 ( 1.795 -1.631 -2.507) 3.488 7.575 ( 3.727 0.648 3.293) 5.016 7.731 ( 3.630 0.226 -4.948) 6.141 7.886 ( -0.919 0.007 3.467) 3.587 8.052 ( -2.969 -1.045 -5.076) 5.973 8.470 ( -4.367 5.810 10.701) 12.936 8.566 ( -4.811 -0.841 12.682) 13.590 9.025 ( -1.889 2.934 -15.873) 16.252 9.082 ( -1.311 -0.533 -12.963) 13.040 9.460 ( -1.105 -0.426 6.809) 6.912 9.497 ( -1.307 -1.740 4.332) 4.848 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 0.706 0.059 0.271) 0.759 1.939 ( 0.580 -0.473 -0.412) 0.854 2.079 ( 2.929 0.874 -3.152) 4.391 2.133 ( 1.870 -0.818 -5.301) 5.680 2.326 ( 1.890 2.471 1.971) 3.682 2.378 ( 3.508 -0.844 -2.398) 4.332 2.437 ( -5.189 5.481 1.467) 7.689 2.529 ( -2.712 4.255 -1.576) 5.286 2.706 ( -2.381 0.100 0.786) 2.509 2.728 ( -2.015 0.432 0.368) 2.094 2.758 ( -0.050 1.332 1.178) 1.778 2.797 ( -0.562 -1.838 -0.030) 1.922 2.976 ( 2.272 -1.313 3.792) 4.612 2.991 ( 2.427 0.875 1.870) 3.186 3.029 ( -3.754 -0.463 2.824) 4.721 3.054 ( -2.431 -0.360 3.339) 4.146 3.215 ( 1.252 -1.106 -2.514) 3.018 3.283 ( -0.574 0.552 -4.504) 4.574 3.303 ( 0.757 -2.515 1.633) 3.093 3.423 ( 2.299 -0.551 -0.776) 2.488 3.452 ( 0.657 -7.827 -4.221) 8.917 3.523 ( 1.496 -1.019 -2.361) 2.975 3.753 ( 0.102 1.900 5.036) 5.384 3.859 ( 1.372 7.603 -0.678) 7.756 4.169 ( 5.750 -1.610 2.979) 6.673 4.290 ( 6.665 -3.515 -2.279) 7.872 6.309 ( -1.088 0.886 -0.835) 1.632 6.353 ( -1.754 2.370 -2.818) 4.079 6.643 ( 1.927 -1.715 5.406) 5.990 6.718 ( 2.878 1.159 5.934) 6.697 6.864 ( -2.258 0.114 0.071) 2.262 6.885 ( -0.178 -0.075 0.021) 0.194 6.894 ( 2.164 -0.630 -3.804) 4.421 7.030 ( -0.107 0.426 -6.071) 6.087 7.198 ( -2.526 0.223 0.905) 2.692 7.233 ( -2.793 0.653 0.314) 2.885 7.375 ( 1.940 -0.208 0.986) 2.186 7.464 ( 1.926 -0.559 -3.987) 4.463 7.639 ( 4.125 0.475 4.596) 6.194 7.715 ( -4.538 -0.642 1.991) 4.997 7.904 ( 1.364 1.929 -5.128) 5.646 7.992 ( -1.908 -1.907 -6.148) 6.714 8.360 ( -4.318 2.370 14.268) 15.094 8.509 ( -1.245 -0.121 13.477) 13.535 8.980 ( -1.619 1.148 -16.647) 16.764 9.065 ( -0.324 -0.162 -14.039) 14.044 9.449 ( -0.267 -0.336 7.213) 7.226 9.488 ( -0.175 -0.644 4.741) 4.788 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -0.587 0.014 0.674) 0.893 1.948 ( -0.123 0.214 -0.556) 0.608 2.073 ( -2.724 0.297 -2.064) 3.430 2.144 ( -1.570 0.501 -4.787) 5.063 2.283 ( -3.546 -0.274 3.331) 4.873 2.365 ( -2.253 -1.796 0.451) 2.916 2.403 ( -3.614 0.604 -3.225) 4.881 2.452 ( -0.777 -1.457 -4.296) 4.603 2.672 ( -3.108 -3.647 1.580) 5.045 2.675 ( -3.216 -3.206 1.285) 4.719 2.727 ( -2.940 -0.999 2.720) 4.128 2.828 ( 2.634 0.919 -1.220) 3.045 2.972 ( -2.440 -0.597 2.910) 3.844 3.001 ( -0.179 0.290 0.237) 0.416 3.052 ( 3.896 1.582 4.613) 6.242 3.065 ( 4.030 0.711 2.412) 4.751 3.243 ( 1.410 0.859 -2.631) 3.106 3.265 ( -0.999 -0.315 -4.570) 4.688 3.321 ( 0.002 -1.011 2.922) 3.091 3.442 ( -0.048 0.452 -2.134) 2.182 3.505 ( 0.606 -3.072 -2.620) 4.083 3.554 ( 1.262 -0.591 -2.390) 2.767 3.745 ( 0.107 0.593 4.517) 4.557 3.829 ( 0.300 7.582 -0.367) 7.597 4.197 ( -3.276 0.680 3.322) 4.715 4.332 ( -3.586 0.050 -2.557) 4.404 6.289 ( -0.843 -0.744 -1.119) 1.587 6.314 ( -1.584 -0.860 -2.303) 2.925 6.642 ( -2.747 -1.922 5.238) 6.219 6.677 ( -5.592 -1.891 4.774) 7.592 6.867 ( 0.424 0.322 -0.617) 0.815 6.880 ( -1.331 -0.043 -0.020) 1.332 6.929 ( 2.544 1.598 -2.510) 3.915 7.036 ( 1.263 1.282 -5.544) 5.829 7.181 ( 0.857 -1.298 0.743) 1.723 7.221 ( 1.858 -0.317 -0.050) 1.886 7.381 ( -1.180 0.388 1.778) 2.169 7.483 ( 0.053 0.983 -3.885) 4.008 7.623 ( -4.302 -0.876 3.482) 5.604 7.729 ( 4.097 0.549 1.867) 4.536 7.865 ( -2.566 -1.487 -4.061) 5.029 8.033 ( 3.612 1.661 -7.218) 8.240 8.296 ( -1.900 -2.847 14.787) 15.178 8.518 ( 2.205 0.642 14.018) 14.205 8.951 ( -1.376 -1.285 -17.262) 17.364 9.073 ( 1.063 0.464 -13.477) 13.526 9.454 ( 0.687 0.040 7.427) 7.459 9.500 ( 1.403 0.378 4.410) 4.643 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -6.416 0.289 0.706) 6.461 1.916 ( -1.674 -0.062 0.865) 1.886 2.003 ( -3.510 0.507 -3.059) 4.683 2.063 ( -7.036 -1.056 -4.694) 8.524 2.217 ( -4.597 -1.124 1.767) 5.052 2.292 ( -5.418 0.133 -3.889) 6.671 2.356 ( -1.813 -6.973 2.225) 7.540 2.462 ( -1.354 -4.465 -1.933) 5.050 2.600 ( -5.217 -6.865 1.473) 8.747 2.640 ( -4.753 -4.316 2.524) 6.898 2.720 ( 2.040 -3.131 1.310) 3.960 2.869 ( 2.056 2.923 -1.661) 3.941 2.933 ( -1.058 -0.675 3.026) 3.276 3.016 ( 1.734 0.237 -1.980) 2.643 3.110 ( 1.644 0.003 1.797) 2.435 3.146 ( 5.248 2.564 3.462) 6.790 3.221 ( -2.394 1.413 -2.838) 3.973 3.280 ( 1.260 -0.222 -2.214) 2.557 3.313 ( -1.042 0.692 3.000) 3.250 3.406 ( -2.609 3.131 0.927) 4.179 3.507 ( -0.569 0.726 -4.303) 4.401 3.573 ( 0.933 1.340 -4.166) 4.474 3.752 ( 0.240 -0.194 3.690) 3.703 3.797 ( -0.099 4.612 0.623) 4.654 4.043 ( -11.141 2.736 3.020) 11.862 4.158 ( -12.727 3.206 -2.016) 13.278 6.284 ( -0.509 -2.081 -1.342) 2.528 6.308 ( -0.177 -2.985 -1.854) 3.518 6.542 ( -6.882 -1.337 3.604) 7.883 6.609 ( -3.397 -1.910 2.924) 4.872 6.792 ( -3.982 -1.204 0.679) 4.215 6.916 ( 2.543 0.398 -2.531) 3.610 6.974 ( 1.634 0.010 0.197) 1.646 7.061 ( 2.294 1.107 -2.209) 3.372 7.215 ( -0.029 -2.225 -0.154) 2.231 7.267 ( 1.724 -0.729 -1.625) 2.478 7.361 ( 1.227 1.013 3.340) 3.699 7.463 ( -0.764 2.220 -2.473) 3.410 7.560 ( -3.664 -0.512 2.525) 4.480 7.720 ( -4.316 -0.798 -6.087) 7.504 7.885 ( 2.623 -0.025 3.990) 4.775 8.084 ( 2.777 1.713 -4.292) 5.391 8.314 ( 0.272 -7.186 10.760) 12.942 8.580 ( 4.478 0.486 13.407) 14.143 8.948 ( -0.135 -3.438 -17.595) 17.928 9.092 ( 0.955 0.428 -11.751) 11.798 9.475 ( 1.637 0.634 7.557) 7.758 9.536 ( 2.674 1.506 3.375) 4.562 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -11.638 1.338 2.966) 12.084 1.843 ( -12.377 -2.848 -1.498) 12.788 1.893 ( -3.788 0.464 -1.963) 4.292 1.930 ( -6.722 0.016 -3.244) 7.464 2.130 ( -4.349 -0.796 -0.759) 4.486 2.190 ( -4.113 2.115 -4.559) 6.494 2.363 ( -2.626 -8.489 2.117) 9.135 2.427 ( -5.539 -5.398 -0.568) 7.755 2.533 ( -4.624 -3.280 5.244) 7.722 2.608 ( -2.163 -8.420 2.656) 9.090 2.759 ( -1.357 -0.398 -1.364) 1.965 2.867 ( -1.525 -3.766 0.364) 4.079 2.949 ( -0.722 -0.018 2.973) 3.059 3.048 ( -0.170 -0.862 -2.574) 2.720 3.108 ( -0.159 1.221 -1.010) 1.593 3.130 ( -5.346 2.451 -2.337) 6.329 3.234 ( 3.539 1.725 3.900) 5.541 3.249 ( -2.528 2.117 -0.100) 3.299 3.288 ( -1.548 1.456 -1.255) 2.468 3.369 ( 1.742 2.720 4.599) 5.620 3.490 ( -0.297 1.020 -6.307) 6.396 3.578 ( -0.523 1.794 -4.133) 4.535 3.678 ( -10.591 4.186 0.543) 11.401 3.698 ( -10.017 5.752 -1.554) 11.655 3.842 ( -3.451 1.064 4.740) 5.958 3.910 ( -6.256 0.575 1.145) 6.386 6.288 ( -0.567 -1.539 -0.829) 1.837 6.331 ( 0.531 -1.221 -2.453) 2.791 6.438 ( -3.771 -2.285 3.950) 5.919 6.562 ( -2.264 -3.287 -1.070) 4.132 6.763 ( 0.206 -0.721 3.967) 4.037 6.965 ( 2.185 -0.289 -2.405) 3.262 6.985 ( -0.352 -0.951 -0.739) 1.255 7.080 ( -1.692 -0.843 -1.730) 2.562 7.211 ( 0.526 -1.460 3.165) 3.526 7.317 ( 1.332 -1.572 -1.547) 2.577 7.382 ( -2.585 2.246 0.485) 3.458 7.419 ( -2.653 0.475 -0.441) 2.731 7.490 ( 0.265 1.450 0.812) 1.683 7.615 ( -6.345 -0.266 -4.585) 7.833 7.911 ( -0.105 0.449 3.877) 3.904 8.085 ( -2.850 1.358 -5.057) 5.961 8.391 ( 3.122 -9.875 11.408) 15.408 8.679 ( 5.604 0.223 10.565) 11.961 8.985 ( 1.360 -5.286 -17.105) 17.954 9.103 ( 0.413 0.090 -9.473) 9.482 9.509 ( 2.451 1.402 7.379) 7.901 9.583 ( 3.336 2.624 2.136) 4.751 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -13.686 3.247 7.013) 15.717 1.541 ( -18.634 -0.991 1.269) 18.703 1.747 ( -11.484 1.625 -4.668) 12.502 1.822 ( -4.348 1.173 -4.677) 6.493 2.066 ( -3.294 -1.897 -2.895) 4.778 2.114 ( -3.199 1.054 -5.177) 6.176 2.322 ( -7.562 -5.615 2.519) 9.749 2.339 ( -4.213 -4.806 1.258) 6.514 2.461 ( -5.098 -1.893 7.785) 9.496 2.610 ( -3.447 -7.342 0.129) 8.112 2.668 ( -8.093 2.939 1.152) 8.687 2.751 ( -14.275 6.638 4.948) 16.502 2.796 ( -8.858 -3.090 -0.899) 9.425 2.974 ( -10.142 2.805 -4.956) 11.631 3.008 ( -8.123 -0.861 -0.147) 8.170 3.097 ( -7.627 0.468 -1.313) 7.754 3.112 ( -8.460 -0.512 1.658) 8.636 3.186 ( -3.627 3.013 -3.539) 5.895 3.318 ( 1.472 1.285 1.238) 2.313 3.375 ( 0.765 2.036 1.416) 2.595 3.454 ( -0.811 -0.943 -4.350) 4.524 3.489 ( 2.530 0.954 -2.150) 3.455 3.550 ( 3.233 -0.147 0.040) 3.236 3.651 ( 3.900 0.667 -2.640) 4.756 3.823 ( 0.442 1.258 4.926) 5.103 3.882 ( 0.515 -0.121 1.942) 2.013 6.269 ( -1.206 1.457 -0.327) 1.919 6.303 ( -2.279 1.419 -1.472) 3.062 6.463 ( 2.831 -4.002 2.244) 5.392 6.569 ( -0.263 -4.747 -2.295) 5.279 6.775 ( -1.271 -0.029 5.476) 5.622 6.953 ( -3.333 -0.732 1.405) 3.690 7.007 ( 0.371 -0.215 -3.730) 3.754 7.022 ( -3.866 0.517 -2.327) 4.542 7.136 ( -14.738 -1.736 1.916) 14.963 7.191 ( -5.245 -4.864 0.335) 7.161 7.342 ( -0.630 -1.652 -0.119) 1.772 7.454 ( 4.076 1.599 -2.020) 4.821 7.493 ( -3.837 1.906 -1.522) 4.547 7.582 ( 7.236 1.530 -2.332) 7.755 7.871 ( -3.814 0.550 2.101) 4.389 7.972 ( -7.712 -0.519 -2.147) 8.022 8.526 ( 5.017 -8.227 10.691) 14.393 8.778 ( 4.516 0.141 7.702) 8.929 9.058 ( 3.028 -6.052 -14.652) 16.140 9.112 ( 0.614 -0.152 -7.100) 7.128 9.554 ( 3.431 2.428 6.669) 7.883 9.636 ( 3.911 3.334 1.102) 5.256 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -17.544 3.223 10.603) 20.751 1.164 ( -17.126 5.818 7.460) 19.566 1.487 ( -12.814 5.073 -7.008) 15.461 1.697 ( -8.251 2.990 -9.204) 12.717 1.979 ( -12.680 1.012 -1.125) 12.769 2.040 ( -5.073 -3.649 -3.098) 6.975 2.113 ( -19.191 10.486 6.040) 22.688 2.229 ( -4.524 -4.217 4.370) 7.572 2.293 ( -9.610 1.551 8.160) 12.702 2.425 ( -5.922 -2.749 0.167) 6.531 2.488 ( -12.651 0.428 -2.940) 12.995 2.597 ( -10.956 -3.050 1.767) 11.510 2.606 ( -5.240 -4.362 0.471) 6.834 2.691 ( -12.494 6.149 -11.102) 17.809 2.785 ( -8.764 -1.875 1.281) 9.054 2.905 ( -8.411 -0.284 -2.924) 8.909 3.069 ( -1.221 -1.824 1.347) 2.575 3.131 ( -1.291 1.531 -0.304) 2.026 3.336 ( 1.423 -0.017 0.553) 1.527 3.424 ( 3.084 -0.367 -1.717) 3.549 3.491 ( 2.550 0.076 -0.806) 2.675 3.556 ( 2.800 2.065 -3.249) 4.760 3.674 ( 6.821 -4.117 2.820) 8.451 3.777 ( 6.685 -2.756 1.220) 7.333 3.834 ( 1.911 -0.546 2.293) 3.035 3.904 ( 2.068 1.279 0.782) 2.554 6.193 ( -12.562 -1.097 -0.199) 12.611 6.241 ( -5.160 -1.060 -2.861) 5.995 6.450 ( -11.845 3.462 3.360) 12.790 6.507 ( -2.938 -4.546 0.028) 5.413 6.700 ( -0.923 -1.755 1.263) 2.351 6.828 ( -7.498 -0.597 -2.741) 8.005 6.932 ( -4.062 1.640 -0.835) 4.460 7.011 ( 0.236 -0.753 0.319) 0.851 7.019 ( -0.400 -3.517 -0.574) 3.586 7.139 ( -3.925 -6.157 -5.176) 8.950 7.299 ( -2.806 0.151 -0.775) 2.915 7.453 ( 2.080 2.635 -5.285) 6.261 7.551 ( 4.708 0.413 3.476) 5.867 7.687 ( 0.261 0.630 -1.082) 1.279 7.776 ( -3.635 2.450 0.206) 4.388 7.839 ( -4.377 -1.629 -1.839) 5.019 8.672 ( 6.486 -6.331 13.202) 16.014 8.846 ( 2.564 -0.238 5.583) 6.148 9.130 ( 1.247 -0.155 -5.254) 5.402 9.169 ( 4.768 -5.796 -9.607) 12.191 9.616 ( 4.660 3.522 5.050) 7.721 9.694 ( 3.991 3.548 0.504) 5.363 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -17.581 8.506 11.010) 22.420 0.850 ( -12.489 10.383 18.458) 24.587 1.225 ( -10.709 8.568 -9.518) 16.694 1.364 ( -27.911 18.672 15.258) 36.884 1.445 ( -14.925 6.841 -10.565) 19.524 1.908 ( -7.423 1.257 5.750) 9.473 1.988 ( -3.265 -7.380 -5.009) 9.498 2.123 ( -6.073 -0.310 2.138) 6.446 2.168 ( -5.796 -3.290 -2.527) 7.128 2.280 ( -5.515 -2.277 1.251) 6.096 2.361 ( -3.046 -0.974 -1.577) 3.566 2.428 ( -6.718 -0.733 0.757) 6.800 2.481 ( -5.107 4.600 -10.038) 12.165 2.585 ( -0.152 -3.870 -1.891) 4.311 2.701 ( -2.405 -1.220 0.508) 2.744 2.768 ( -6.448 -1.537 -2.374) 7.041 3.047 ( -0.648 1.371 5.346) 5.557 3.141 ( 0.932 -4.055 -0.844) 4.245 3.367 ( 1.403 -0.885 0.548) 1.747 3.476 ( 1.873 -1.095 -2.198) 3.088 3.534 ( 2.045 1.289 0.518) 2.472 3.586 ( 2.342 3.133 -2.652) 4.726 3.801 ( 3.400 -2.101 6.699) 7.801 3.844 ( 3.343 -0.810 4.302) 5.507 3.946 ( 4.314 2.167 -0.041) 4.828 3.964 ( 4.761 -6.299 -2.477) 8.275 5.701 ( -28.423 0.404 1.422) 28.461 5.940 ( -34.170 -11.621 -13.369) 38.489 6.397 ( 4.360 4.137 3.046) 6.738 6.478 ( 2.041 -2.605 -1.378) 3.585 6.684 ( -4.038 -3.159 0.244) 5.133 6.764 ( -0.315 3.298 -2.551) 4.181 6.829 ( -3.192 4.677 -1.328) 5.816 6.942 ( -9.513 4.477 -11.897) 15.877 7.061 ( 3.440 -2.076 2.307) 4.633 7.131 ( 2.573 -0.928 0.654) 2.813 7.314 ( 2.158 -5.389 0.869) 5.870 7.494 ( 2.587 2.175 -6.458) 7.289 7.574 ( -5.983 1.490 1.544) 6.356 7.601 ( -2.215 -1.202 1.217) 2.799 7.691 ( -1.854 2.238 2.316) 3.716 7.871 ( 3.251 0.773 -4.243) 5.401 8.871 ( 5.438 -5.696 10.257) 12.932 8.897 ( 6.808 -6.032 11.569) 14.717 9.159 ( 1.711 -0.375 -2.900) 3.388 9.293 ( 4.432 -5.052 -3.603) 7.625 9.688 ( 4.691 4.306 2.284) 6.765 9.743 ( 3.077 3.771 0.373) 4.881 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 0.000 15.433 16.474) 22.573 0.552 ( 0.000 17.558 18.461) 25.478 0.901 ( 0.000 15.562 32.557) 36.085 1.118 ( 0.000 8.972 -7.491) 11.688 1.221 ( 0.000 5.440 -15.054) 16.007 1.816 ( 0.000 0.604 8.349) 8.371 2.014 ( -0.000 -8.387 -8.816) 12.168 2.074 ( -0.000 -0.433 -5.504) 5.521 2.096 ( -0.000 -3.062 3.293) 4.496 2.244 ( -0.000 -1.041 3.521) 3.672 2.338 ( -0.000 -1.248 -1.433) 1.900 2.344 ( 0.000 7.707 -12.115) 14.359 2.440 ( -0.000 -2.835 0.126) 2.838 2.627 ( -0.000 -2.805 -3.833) 4.750 2.680 ( -0.000 -0.915 0.324) 0.971 2.696 ( -0.000 -1.266 -0.342) 1.311 3.036 ( 0.000 1.146 8.405) 8.483 3.182 ( -0.000 -4.420 -1.248) 4.593 3.390 ( -0.000 -1.797 0.004) 1.797 3.506 ( -0.000 -2.193 -1.611) 2.721 3.546 ( 0.000 1.559 0.002) 1.559 3.602 ( 0.000 4.709 -4.083) 6.232 3.862 ( -0.000 -4.052 8.590) 9.498 3.905 ( -0.000 -3.886 3.607) 5.302 4.015 ( 0.000 4.815 -3.062) 5.706 4.051 ( -0.000 -5.268 -2.844) 5.987 5.335 ( 0.000 1.985 0.861) 2.163 5.374 ( 0.000 1.857 -0.836) 2.037 6.456 ( 0.000 2.511 5.170) 5.747 6.576 ( -0.000 -7.919 0.910) 7.971 6.630 ( -0.000 -6.371 -1.698) 6.593 6.692 ( 0.000 19.580 -13.923) 24.026 6.746 ( 0.000 4.777 1.592) 5.036 6.797 ( 0.000 5.079 -0.844) 5.149 7.120 ( -0.000 -1.691 2.281) 2.839 7.172 ( -0.000 -1.358 1.581) 2.084 7.385 ( -0.000 -6.724 -0.496) 6.742 7.482 ( 0.000 0.207 1.414) 1.429 7.519 ( 0.000 4.122 -6.508) 7.704 7.547 ( 0.000 0.426 -1.386) 1.450 7.683 ( 0.000 0.752 6.074) 6.120 7.899 ( 0.000 0.979 -4.501) 4.607 8.896 ( -0.000 -0.516 5.144) 5.170 9.106 ( -0.000 -10.320 -0.593) 10.337 9.231 ( -0.000 -12.999 7.455) 14.985 9.373 ( -0.000 -4.387 0.416) 4.407 9.719 ( 0.000 4.136 -0.236) 4.143 9.761 ( 0.000 4.864 -1.147) 4.998 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 13.396 0.000 2.611) 13.648 1.876 ( 2.668 0.000 -1.586) 3.104 1.919 ( 13.056 0.000 -5.826) 14.297 1.929 ( 6.207 0.000 -2.050) 6.537 2.135 ( 5.088 0.000 -2.982) 5.898 2.153 ( 5.171 0.000 -1.234) 5.316 2.488 ( 4.822 0.000 6.486) 8.081 2.581 ( 4.802 0.000 -0.304) 4.812 2.639 ( 3.927 0.000 1.379) 4.162 2.686 ( 3.436 0.000 0.081) 3.437 2.819 ( 1.968 0.000 2.764) 3.393 2.908 ( 11.376 0.000 4.698) 12.308 3.008 ( 2.935 0.000 -2.973) 4.178 3.052 ( 4.874 0.000 -2.771) 5.607 3.067 ( 4.870 0.000 2.406) 5.432 3.149 ( -4.450 -0.000 -0.655) 4.498 3.219 ( 0.351 0.000 0.479) 0.594 3.234 ( -6.175 -0.000 3.404) 7.051 3.243 ( -5.555 -0.000 2.500) 6.092 3.302 ( 4.281 0.000 -1.481) 4.530 3.387 ( -7.520 -0.000 -2.477) 7.917 3.468 ( -1.650 -0.000 -5.085) 5.346 3.596 ( 15.592 0.000 -3.799) 16.048 3.615 ( 10.375 0.000 -3.857) 11.069 3.838 ( 3.320 0.000 5.837) 6.715 3.911 ( 2.460 0.000 2.053) 3.204 6.319 ( 4.555 0.000 -1.030) 4.670 6.355 ( 5.483 0.000 -2.464) 6.011 6.482 ( -0.597 -0.000 4.602) 4.640 6.623 ( -1.247 -0.000 -0.535) 1.357 6.784 ( 0.823 0.000 2.125) 2.279 6.969 ( -2.899 -0.000 -4.868) 5.666 7.013 ( 0.765 0.000 3.173) 3.264 7.096 ( 0.785 0.000 -0.307) 0.843 7.260 ( -1.988 -0.000 1.853) 2.717 7.328 ( -0.699 -0.000 0.416) 0.813 7.349 ( -2.084 -0.000 -1.142) 2.376 7.381 ( -2.187 -0.000 -3.072) 3.770 7.472 ( 7.123 0.000 2.565) 7.571 7.618 ( 7.546 0.000 -5.022) 9.064 7.902 ( 0.077 0.000 3.682) 3.683 8.057 ( 1.582 0.000 -4.191) 4.479 8.615 ( -3.247 -0.000 10.072) 10.583 8.665 ( -6.402 -0.000 9.669) 11.596 9.094 ( -1.335 -0.000 -10.871) 10.953 9.110 ( -2.463 -0.000 -13.857) 14.074 9.487 ( -0.598 -0.000 5.357) 5.390 9.500 ( -2.886 -0.000 3.948) 4.891 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 6.805 -0.043 -0.085) 6.806 1.910 ( 1.187 -0.116 -0.014) 1.193 2.003 ( 3.946 0.129 -2.328) 4.584 2.071 ( 3.965 -0.080 -8.608) 9.478 2.263 ( 6.813 0.631 0.722) 6.881 2.278 ( 6.281 -0.134 -0.799) 6.333 2.570 ( 3.276 0.913 3.628) 4.973 2.606 ( 0.576 3.288 0.285) 3.350 2.723 ( 2.179 1.399 0.584) 2.655 2.731 ( 0.878 -1.138 0.260) 1.461 2.842 ( 0.594 3.600 2.819) 4.611 2.925 ( -8.165 -1.146 -0.275) 8.250 2.977 ( -7.648 3.512 2.623) 8.815 2.991 ( -2.861 1.343 2.990) 4.350 3.084 ( -2.385 -0.794 0.774) 2.630 3.111 ( -4.036 -0.117 2.761) 4.892 3.154 ( 3.507 0.327 -1.119) 3.695 3.190 ( 1.567 -5.861 -0.082) 6.068 3.273 ( 3.589 -2.031 0.110) 4.125 3.339 ( 1.358 1.643 -2.864) 3.570 3.369 ( 0.233 -3.544 -4.873) 6.030 3.476 ( 1.930 -0.367 -4.035) 4.488 3.760 ( 2.923 0.747 4.674) 5.563 3.873 ( 9.935 1.834 -2.422) 10.389 3.978 ( 8.588 1.215 2.227) 8.955 4.015 ( 11.318 -4.123 0.028) 12.045 6.353 ( -0.806 0.854 -0.941) 1.505 6.424 ( 0.630 1.857 -4.537) 4.942 6.541 ( 5.516 -0.690 5.307) 7.685 6.640 ( 4.106 0.078 4.146) 5.836 6.824 ( 3.199 0.308 -1.061) 3.384 6.909 ( -2.976 -0.062 -1.650) 3.403 6.968 ( -5.295 -0.081 1.864) 5.614 7.051 ( -2.486 0.033 -3.228) 4.075 7.260 ( -3.300 0.266 -0.251) 3.320 7.286 ( 0.621 0.313 -0.950) 1.177 7.321 ( 0.978 -0.509 1.782) 2.096 7.404 ( 2.298 -0.635 -2.592) 3.521 7.581 ( 3.592 0.249 3.382) 4.940 7.733 ( 3.430 0.060 -4.669) 5.794 7.886 ( -0.491 0.005 3.367) 3.403 8.044 ( -2.955 -0.375 -5.102) 5.908 8.521 ( -6.138 3.198 11.356) 13.299 8.554 ( -4.264 -1.338 11.576) 12.409 9.050 ( -2.540 1.432 -14.557) 14.846 9.075 ( -1.325 -0.527 -14.074) 14.146 9.459 ( -1.269 0.026 6.232) 6.360 9.481 ( -0.526 -0.900 4.992) 5.100 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 0.614 0.121 0.090) 0.633 1.934 ( 0.927 -0.367 -0.277) 1.035 2.091 ( 2.675 1.307 -4.051) 5.027 2.121 ( 2.316 -1.236 -5.235) 5.856 2.347 ( 2.115 1.285 0.902) 2.634 2.371 ( 3.094 -0.424 -1.617) 3.517 2.509 ( -8.436 6.934 1.869) 11.079 2.572 ( -2.779 3.083 0.634) 4.199 2.701 ( -3.592 -0.783 1.121) 3.843 2.727 ( -3.782 -1.632 0.019) 4.119 2.758 ( -3.765 -0.638 0.322) 3.832 2.779 ( -1.515 -1.145 -0.345) 1.930 2.968 ( 4.315 0.034 5.437) 6.941 2.999 ( 1.311 0.470 0.919) 1.669 3.023 ( -3.246 -0.479 1.231) 3.505 3.052 ( -1.308 0.021 4.620) 4.802 3.208 ( 2.378 -0.031 -1.567) 2.848 3.260 ( 1.661 -3.436 -0.193) 3.822 3.301 ( -0.373 1.193 -5.338) 5.482 3.371 ( 1.063 -5.991 -5.584) 8.258 3.421 ( 3.306 -0.112 0.946) 3.440 3.515 ( 1.661 -0.407 -1.700) 2.411 3.776 ( 0.199 1.814 6.511) 6.762 3.940 ( 2.112 6.266 -1.994) 6.906 4.153 ( 6.670 -1.180 2.321) 7.161 4.248 ( 7.988 -3.673 -1.818) 8.978 6.317 ( -1.976 0.585 -0.697) 2.176 6.378 ( -3.120 1.918 -3.623) 5.151 6.621 ( 1.032 -1.820 5.900) 6.260 6.725 ( 1.743 0.234 6.186) 6.431 6.865 ( -2.695 0.016 0.048) 2.696 6.885 ( 0.412 0.155 -0.854) 0.961 6.892 ( 3.420 -0.025 -3.028) 4.568 7.035 ( 0.508 0.442 -6.201) 6.238 7.199 ( -3.066 -0.012 1.215) 3.298 7.239 ( -2.956 0.439 0.286) 3.002 7.373 ( 2.203 -0.108 0.773) 2.337 7.460 ( 2.595 -0.250 -4.033) 4.802 7.643 ( 4.021 0.227 5.098) 6.497 7.709 ( -4.770 -0.404 2.005) 5.191 7.926 ( 1.572 1.938 -5.479) 6.021 7.971 ( -1.931 -1.909 -5.953) 6.543 8.380 ( -6.660 1.256 14.319) 15.842 8.509 ( -0.673 0.102 13.104) 13.122 8.990 ( -2.914 0.612 -16.408) 16.676 9.065 ( 0.147 0.002 -14.274) 14.274 9.446 ( -0.167 -0.244 7.146) 7.152 9.482 ( 0.350 -0.444 4.906) 4.939 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -0.481 0.005 0.837) 0.966 1.949 ( -0.129 0.042 -0.547) 0.563 2.078 ( -2.264 0.445 -2.142) 3.149 2.151 ( -1.518 0.566 -4.971) 5.228 2.291 ( -6.786 1.555 3.264) 7.689 2.349 ( -4.480 -1.230 0.627) 4.688 2.398 ( -1.262 -0.973 -2.917) 3.323 2.456 ( -4.903 1.702 -4.405) 6.807 2.625 ( -5.998 -3.931 2.014) 7.449 2.643 ( -4.439 -3.082 1.208) 5.537 2.715 ( -1.964 -1.167 3.606) 4.269 2.836 ( 4.399 0.531 -1.964) 4.846 2.967 ( -2.089 -0.208 2.465) 3.238 3.002 ( -0.167 -0.051 -0.022) 0.176 3.060 ( 1.971 0.057 4.423) 4.843 3.082 ( 6.050 1.867 2.175) 6.695 3.249 ( 1.923 0.489 -2.005) 2.820 3.267 ( -1.282 0.421 -3.771) 4.005 3.306 ( 0.889 -1.425 0.936) 1.923 3.431 ( 1.632 -3.030 -6.710) 7.541 3.471 ( 1.552 -1.416 1.771) 2.748 3.547 ( 1.382 -0.563 -0.973) 1.782 3.761 ( -0.441 1.819 6.249) 6.523 3.919 ( 0.018 7.591 -2.079) 7.871 4.201 ( -2.186 0.185 2.953) 3.679 4.324 ( -1.915 -1.249 -2.377) 3.298 6.282 ( -1.404 -0.496 -1.216) 1.922 6.309 ( -3.117 -0.152 -2.487) 3.991 6.617 ( -1.868 -2.141 5.246) 5.966 6.658 ( -6.562 -1.397 4.451) 8.052 6.868 ( -3.173 -0.173 -0.643) 3.242 6.884 ( 1.627 0.577 0.297) 1.752 6.943 ( 2.474 0.774 -2.808) 3.822 7.055 ( 1.911 1.930 -5.420) 6.063 7.165 ( -0.175 -1.524 1.197) 1.946 7.218 ( 1.237 -0.158 -0.352) 1.296 7.386 ( -0.838 0.378 2.208) 2.392 7.493 ( 0.943 0.792 -3.841) 4.033 7.614 ( -4.349 -0.765 3.085) 5.386 7.734 ( 4.018 0.346 1.880) 4.450 7.851 ( -3.431 -1.001 -3.624) 5.090 8.049 ( 4.869 1.254 -8.183) 9.604 8.268 ( -4.566 -2.090 15.488) 16.282 8.525 ( 2.305 0.546 14.094) 14.292 8.938 ( -2.381 -0.879 -17.504) 17.687 9.078 ( 1.157 0.381 -13.267) 13.323 9.454 ( 0.896 -0.076 7.550) 7.604 9.503 ( 1.873 0.181 4.304) 4.697 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -6.159 0.352 1.120) 6.270 1.914 ( -1.853 -0.264 1.268) 2.261 2.010 ( -4.900 0.614 -3.138) 5.851 2.049 ( -7.065 -1.183 -2.915) 7.733 2.207 ( -3.882 -0.571 1.337) 4.145 2.260 ( -4.438 -5.027 -0.188) 6.709 2.325 ( -4.539 0.750 -2.307) 5.147 2.419 ( -1.800 -3.047 -3.351) 4.873 2.529 ( -6.109 -5.684 1.459) 8.471 2.581 ( -4.627 -5.860 -0.044) 7.467 2.702 ( 0.573 -0.512 5.626) 5.678 2.904 ( 1.992 2.960 -3.128) 4.745 2.931 ( -0.634 0.244 2.527) 2.617 3.010 ( 0.887 -1.183 -1.424) 2.052 3.106 ( 1.812 -0.646 2.562) 3.204 3.178 ( 5.251 2.943 2.023) 6.351 3.228 ( -2.466 0.171 -3.148) 4.002 3.285 ( 1.950 0.811 -1.176) 2.417 3.320 ( 0.070 0.654 1.856) 1.970 3.432 ( -1.788 1.701 -0.725) 2.572 3.502 ( 0.377 -1.575 -3.332) 3.705 3.574 ( 1.187 -0.362 -1.596) 2.022 3.749 ( -0.050 0.147 5.316) 5.318 3.868 ( -0.928 6.681 -1.454) 6.900 4.070 ( -10.411 2.083 2.950) 11.019 4.187 ( -11.621 1.999 -2.162) 11.988 6.264 ( -1.127 -1.432 -1.473) 2.343 6.282 ( 0.175 -1.691 -1.828) 2.496 6.524 ( -7.292 -1.713 3.676) 8.343 6.587 ( -3.240 -1.934 2.553) 4.556 6.780 ( -3.932 -0.924 1.282) 4.238 6.921 ( 2.221 0.410 -2.153) 3.120 6.973 ( 0.653 -0.139 -0.856) 1.085 7.077 ( 1.582 1.673 -2.353) 3.292 7.189 ( 0.047 -2.383 0.341) 2.407 7.259 ( 1.764 -0.770 -1.714) 2.577 7.369 ( 0.993 0.379 4.102) 4.237 7.486 ( -0.695 1.880 -2.602) 3.285 7.556 ( -2.869 -0.120 1.821) 3.400 7.710 ( -4.624 -0.969 -6.621) 8.134 7.885 ( 3.518 -0.073 4.390) 5.626 8.104 ( 2.203 1.759 -2.891) 4.038 8.241 ( -1.325 -5.878 10.023) 11.695 8.585 ( 4.157 0.328 13.258) 13.899 8.914 ( -1.053 -2.595 -17.976) 18.193 9.096 ( 0.790 0.337 -11.406) 11.438 9.481 ( 1.951 0.397 7.784) 8.035 9.550 ( 3.161 1.041 3.109) 4.554 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -10.633 1.496 3.196) 11.204 1.816 ( -11.933 -1.917 -1.293) 12.155 1.897 ( -3.388 0.394 -1.018) 3.560 1.931 ( -6.402 0.091 -3.831) 7.461 2.117 ( -5.249 -1.517 -0.038) 5.464 2.216 ( -3.828 2.391 -5.673) 7.249 2.270 ( -1.627 -7.765 3.771) 8.784 2.372 ( -5.749 -4.307 -1.213) 7.285 2.468 ( -3.813 -8.098 2.089) 9.191 2.535 ( -3.469 -5.059 2.502) 6.625 2.738 ( 1.118 -2.371 1.035) 2.818 2.856 ( -3.339 1.076 0.900) 3.621 2.956 ( 0.527 1.182 1.005) 1.639 3.031 ( -0.734 -2.003 -2.064) 2.969 3.114 ( -1.388 -0.081 0.205) 1.406 3.152 ( -4.767 1.595 -2.616) 5.667 3.253 ( 3.167 1.614 2.084) 4.121 3.281 ( -2.827 3.431 0.285) 4.455 3.308 ( 0.574 1.899 -1.061) 2.250 3.394 ( 0.815 1.802 3.604) 4.111 3.497 ( -1.019 0.253 -5.785) 5.880 3.591 ( -0.109 0.709 -2.640) 2.736 3.712 ( -7.469 2.077 2.228) 8.066 3.759 ( -11.182 4.629 -1.136) 12.155 3.863 ( -3.526 2.687 3.267) 5.507 3.923 ( -9.406 1.807 0.427) 9.588 6.271 ( 0.732 -1.419 -0.763) 1.770 6.318 ( 2.326 -1.066 -2.439) 3.535 6.411 ( -5.020 -2.431 3.593) 6.635 6.524 ( -3.834 -3.359 -1.068) 5.208 6.756 ( 0.587 -0.475 4.503) 4.566 6.959 ( 0.479 -0.892 1.176) 1.552 6.980 ( 1.126 -0.022 -4.750) 4.882 7.071 ( -2.543 -0.753 -2.345) 3.541 7.199 ( 1.016 -0.689 3.539) 3.746 7.297 ( 0.597 -1.910 -1.136) 2.301 7.406 ( -4.040 1.882 0.294) 4.467 7.419 ( -2.092 -0.301 0.825) 2.269 7.509 ( 1.155 1.831 -0.418) 2.204 7.611 ( -5.660 -0.421 -4.455) 7.215 7.916 ( -0.227 0.414 4.044) 4.071 8.100 ( -3.596 1.247 -5.485) 6.676 8.285 ( 3.064 -8.828 12.425) 15.547 8.681 ( 5.571 0.066 10.496) 11.883 8.929 ( 0.578 -4.557 -18.007) 18.584 9.104 ( 0.250 0.093 -9.221) 9.224 9.523 ( 2.834 1.077 7.727) 8.301 9.608 ( 3.702 1.990 1.880) 4.604 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -12.806 3.090 6.215) 14.566 1.546 ( -14.810 2.204 0.979) 15.005 1.767 ( -9.512 1.906 -5.096) 10.958 1.834 ( -3.918 1.001 -3.474) 5.331 2.035 ( -4.681 -3.352 -1.772) 6.024 2.124 ( -4.657 0.510 -6.521) 8.029 2.261 ( -6.738 -5.270 2.807) 9.003 2.282 ( -2.324 -4.921 0.779) 5.498 2.447 ( -3.876 -1.513 5.774) 7.117 2.501 ( -3.326 -10.644 2.884) 11.519 2.702 ( -5.634 2.225 -0.906) 6.125 2.764 ( -7.830 -2.030 -0.321) 8.095 2.825 ( -12.432 5.801 4.197) 14.347 2.991 ( -7.553 -1.154 -2.068) 7.915 3.001 ( -7.319 0.990 -0.297) 7.392 3.091 ( -5.050 -1.009 1.105) 5.267 3.130 ( -12.739 3.592 -0.167) 13.236 3.225 ( -3.491 3.786 -3.731) 6.360 3.332 ( 0.576 1.252 0.220) 1.396 3.402 ( -1.162 2.747 1.396) 3.294 3.446 ( -1.056 -0.485 -5.010) 5.143 3.505 ( 0.605 1.830 -2.108) 2.857 3.549 ( -0.032 -0.184 0.192) 0.268 3.653 ( 1.057 -0.168 -2.402) 2.629 3.838 ( 0.407 1.363 4.264) 4.495 3.879 ( 1.111 -0.290 2.394) 2.655 6.282 ( -0.543 0.583 -0.334) 0.864 6.315 ( -2.541 0.707 -0.761) 2.746 6.417 ( 2.661 -3.868 1.382) 4.894 6.510 ( -0.382 -5.605 -2.147) 6.014 6.774 ( -0.453 -0.149 5.507) 5.527 6.945 ( -2.374 -0.713 1.353) 2.823 7.004 ( -0.938 -0.223 -3.015) 3.165 7.025 ( -0.952 -0.083 -3.349) 3.483 7.127 ( -15.997 0.189 1.259) 16.048 7.147 ( -8.869 -2.901 0.854) 9.371 7.321 ( 0.260 -1.919 0.953) 2.159 7.467 ( 3.517 0.902 -3.150) 4.806 7.512 ( -2.629 1.606 0.288) 3.095 7.597 ( 6.761 1.043 -2.067) 7.146 7.876 ( -3.593 0.311 2.111) 4.179 7.968 ( -8.364 0.019 -1.642) 8.524 8.434 ( 6.293 -8.181 9.933) 14.324 8.780 ( 4.353 0.111 7.682) 8.830 8.991 ( 2.913 -5.860 -16.031) 17.315 9.111 ( 0.543 -0.100 -6.995) 7.017 9.579 ( 3.892 1.913 7.187) 8.394 9.670 ( 4.088 2.785 1.038) 5.054 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -15.907 4.786 7.341) 18.161 1.255 ( -11.366 10.020 7.527) 16.919 1.550 ( -10.205 5.917 -7.177) 13.808 1.730 ( -6.444 2.725 -7.301) 10.112 1.957 ( -6.694 -4.081 -3.252) 8.488 2.015 ( -7.410 -0.921 -4.561) 8.750 2.179 ( -4.019 -4.786 4.882) 7.930 2.205 ( -11.147 3.995 1.982) 12.006 2.312 ( -9.724 0.322 8.622) 13.000 2.438 ( -14.662 7.551 2.493) 16.679 2.477 ( -9.389 -3.545 -1.395) 10.132 2.553 ( -9.906 -3.091 2.221) 10.612 2.566 ( -10.055 -2.994 1.197) 10.559 2.757 ( -11.801 4.772 -7.268) 14.658 2.770 ( -8.936 0.029 0.854) 8.977 2.900 ( -9.497 -0.393 -2.599) 9.854 3.038 ( -1.561 -3.216 1.700) 3.958 3.163 ( -1.730 3.791 -3.319) 5.327 3.337 ( 1.165 0.224 0.568) 1.316 3.416 ( 2.382 -0.979 -1.825) 3.157 3.493 ( 3.075 -0.033 -0.147) 3.079 3.570 ( 2.719 0.017 -2.550) 3.727 3.631 ( 5.865 -3.034 0.272) 6.609 3.720 ( 4.283 -6.543 -1.715) 8.007 3.847 ( 1.302 2.019 5.221) 5.747 3.917 ( 2.865 1.041 1.358) 3.337 6.184 ( -15.306 -0.626 -0.022) 15.319 6.223 ( -9.452 -1.969 -2.094) 9.879 6.448 ( -3.776 -5.495 0.713) 6.705 6.475 ( -6.287 -0.087 0.443) 6.303 6.693 ( -1.986 0.972 3.070) 3.783 6.827 ( -6.198 0.523 -1.115) 6.320 6.934 ( -2.951 -1.780 0.759) 3.529 6.989 ( -1.263 -0.705 0.114) 1.450 7.014 ( 0.135 0.798 -3.188) 3.289 7.069 ( -1.216 -6.162 -2.510) 6.763 7.305 ( -2.325 0.821 -0.297) 2.484 7.477 ( 1.337 1.767 -2.858) 3.616 7.555 ( 3.978 0.307 2.258) 4.585 7.696 ( -0.025 0.865 -0.769) 1.157 7.804 ( -2.525 2.454 -0.591) 3.571 7.820 ( -4.063 -1.615 -0.841) 4.453 8.599 ( 6.469 -6.732 10.088) 13.746 8.843 ( 2.203 -0.464 4.915) 5.406 9.102 ( 4.914 -5.901 -11.017) 13.429 9.128 ( 1.197 -0.193 -5.111) 5.253 9.652 ( 5.001 2.840 5.919) 8.253 9.733 ( 4.128 3.377 0.748) 5.385 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -11.518 11.775 9.595) 19.062 0.997 ( -7.863 15.867 13.463) 22.245 1.332 ( -7.276 10.179 -10.197) 16.141 1.515 ( -13.084 8.252 -9.500) 18.154 1.605 ( -22.126 20.026 9.533) 31.328 1.906 ( -5.124 -4.849 -2.221) 7.396 1.933 ( -7.515 1.456 2.617) 8.090 2.115 ( -7.032 -1.165 5.655) 9.099 2.136 ( -5.153 -2.602 -2.136) 6.156 2.248 ( -5.837 -3.153 1.929) 6.909 2.337 ( -3.423 -3.168 -1.387) 4.866 2.385 ( -7.892 -5.109 6.114) 11.215 2.533 ( -0.794 -5.458 -1.684) 5.767 2.564 ( -4.146 7.904 -13.288) 16.007 2.684 ( -2.169 -1.680 0.421) 2.776 2.747 ( -7.211 -1.979 -2.178) 7.788 3.040 ( -0.442 -3.583 2.030) 4.142 3.122 ( -0.537 1.826 -0.430) 1.951 3.365 ( 1.566 0.291 0.447) 1.654 3.461 ( 1.345 -1.548 -2.891) 3.545 3.549 ( 2.707 1.142 1.339) 3.229 3.608 ( 2.015 0.469 -1.102) 2.344 3.748 ( 3.502 -5.683 1.885) 6.937 3.855 ( 1.968 -6.264 0.755) 6.609 3.870 ( 4.091 -1.215 2.977) 5.203 3.978 ( 4.426 2.078 0.069) 4.890 5.709 ( -26.130 1.028 0.828) 26.163 5.832 ( -32.165 -7.377 -6.012) 33.543 6.431 ( 0.562 -4.550 0.853) 4.663 6.445 ( 3.302 2.324 1.011) 4.163 6.668 ( -3.571 0.934 2.231) 4.313 6.795 ( 1.066 2.124 -0.548) 2.439 6.873 ( -1.985 2.765 -0.823) 3.502 6.977 ( -2.649 1.388 -9.018) 9.501 7.036 ( 2.449 -1.448 -0.294) 2.861 7.114 ( 2.482 -3.069 -2.061) 4.453 7.275 ( 0.414 -0.891 3.011) 3.167 7.505 ( 0.980 0.106 -3.272) 3.417 7.590 ( -2.354 0.514 2.571) 3.523 7.603 ( -3.174 1.981 -2.807) 4.677 7.709 ( -2.651 1.067 2.104) 3.549 7.880 ( 3.726 0.813 -3.940) 5.483 8.766 ( 6.442 -9.224 12.759) 17.011 8.877 ( 1.113 -1.001 4.436) 4.681 9.156 ( 1.352 -0.298 -3.465) 3.731 9.229 ( 4.252 -6.082 -5.930) 9.500 9.732 ( 4.598 3.376 3.615) 6.753 9.785 ( 3.152 3.666 1.088) 4.955 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.000 15.570 13.540) 20.634 0.785 ( 0.000 22.900 11.929) 25.821 1.122 ( 0.000 21.309 9.707) 23.416 1.265 ( 0.000 17.572 3.616) 17.940 1.305 ( 0.000 9.274 -12.858) 15.853 1.825 ( 0.000 1.012 7.576) 7.644 1.914 ( -0.000 -8.148 -6.627) 10.503 2.066 ( -0.000 -1.096 -5.379) 5.490 2.070 ( -0.000 -2.494 2.991) 3.894 2.227 ( -0.000 -1.911 3.522) 4.007 2.317 ( -0.000 -2.552 -1.294) 2.861 2.342 ( -0.000 -6.491 7.752) 10.111 2.477 ( 0.000 7.575 -17.085) 18.689 2.582 ( -0.000 -4.595 -3.346) 5.684 2.665 ( -0.000 -1.903 0.245) 1.919 2.677 ( -0.000 -1.940 -0.284) 1.961 3.048 ( -0.000 -0.096 4.181) 4.182 3.127 ( -0.000 -3.818 -0.317) 3.831 3.381 ( 0.000 0.126 0.091) 0.155 3.485 ( -0.000 -1.835 -2.178) 2.848 3.567 ( 0.000 1.959 0.752) 2.098 3.638 ( 0.000 1.244 -2.164) 2.496 3.819 ( -0.000 -5.826 5.229) 7.829 3.875 ( 0.000 0.241 5.899) 5.904 3.965 ( -0.000 -9.230 -2.262) 9.503 4.046 ( 0.000 0.927 -2.703) 2.858 5.366 ( 0.000 3.457 0.809) 3.551 5.403 ( 0.000 3.195 -0.794) 3.293 6.486 ( -0.000 -7.890 1.303) 7.997 6.528 ( 0.000 9.246 5.529) 10.773 6.556 ( -0.000 -6.568 -1.802) 6.811 6.793 ( 0.000 3.364 1.414) 3.649 6.846 ( 0.000 3.528 -0.972) 3.659 6.880 ( 0.000 12.848 -17.735) 21.899 7.088 ( -0.000 -3.620 1.076) 3.776 7.160 ( -0.000 -1.318 0.160) 1.328 7.313 ( -0.000 -5.460 2.739) 6.109 7.485 ( 0.000 0.354 1.497) 1.539 7.553 ( 0.000 0.684 -1.443) 1.597 7.562 ( 0.000 3.697 -8.472) 9.243 7.690 ( 0.000 0.367 6.373) 6.384 7.912 ( 0.000 1.193 -4.259) 4.423 8.884 ( -0.000 -2.894 5.790) 6.473 8.930 ( -0.000 -14.188 11.715) 18.400 9.177 ( -0.000 -1.257 -1.463) 1.929 9.310 ( -0.000 -6.343 -2.529) 6.829 9.762 ( 0.000 3.637 1.278) 3.855 9.806 ( 0.000 3.186 0.818) 3.289 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.405 0.000 -0.016) 0.405 1.932 ( 1.232 0.000 -0.184) 1.246 2.106 ( 0.036 0.000 -5.444) 5.444 2.107 ( 5.013 0.000 -4.164) 6.516 2.354 ( 2.049 0.000 0.587) 2.132 2.369 ( 2.962 0.000 -1.295) 3.233 2.560 ( -10.074 -0.000 1.509) 10.187 2.590 ( -2.432 -0.000 2.039) 3.174 2.697 ( -4.131 -0.000 0.373) 4.148 2.702 ( -3.987 -0.000 1.750) 4.354 2.758 ( -6.704 -0.000 -0.593) 6.730 2.771 ( -0.678 -0.000 -0.832) 1.074 2.970 ( 4.977 0.000 6.187) 7.941 3.002 ( 0.517 0.000 0.515) 0.730 3.020 ( -2.556 -0.000 0.486) 2.602 3.053 ( -1.012 -0.000 5.027) 5.127 3.213 ( 3.022 0.000 -0.428) 3.052 3.234 ( 2.453 0.000 -1.538) 2.895 3.317 ( -1.997 -0.000 -4.757) 5.159 3.327 ( 2.943 0.000 -6.760) 7.373 3.420 ( 3.373 0.000 1.146) 3.562 3.513 ( 1.678 0.000 -1.525) 2.267 3.787 ( 0.203 0.000 7.207) 7.210 3.979 ( 2.086 0.000 -2.616) 3.346 4.146 ( 6.986 0.000 1.967) 7.258 4.223 ( 8.805 0.000 -1.451) 8.924 6.321 ( -2.324 -0.000 -0.640) 2.410 6.390 ( -3.738 -0.000 -4.146) 5.582 6.609 ( 0.830 0.000 6.311) 6.365 6.726 ( 1.248 0.000 6.173) 6.298 6.865 ( -2.516 -0.000 -0.070) 2.517 6.886 ( 0.802 0.000 -0.505) 0.948 6.892 ( 3.423 0.000 -3.231) 4.707 7.038 ( 0.782 0.000 -6.248) 6.297 7.199 ( -3.268 -0.000 1.359) 3.540 7.241 ( -2.996 -0.000 0.257) 3.007 7.372 ( 2.304 0.000 0.702) 2.408 7.459 ( 2.834 0.000 -4.050) 4.943 7.644 ( 3.979 0.000 5.305) 6.632 7.707 ( -4.869 -0.000 1.995) 5.262 7.943 ( 5.585 0.000 -5.548) 7.872 7.954 ( -5.870 -0.000 -5.948) 8.357 8.387 ( -7.512 -0.000 14.367) 16.212 8.510 ( -0.465 -0.000 12.937) 12.945 8.994 ( -3.408 -0.000 -16.316) 16.669 9.065 ( 0.336 0.000 -14.367) 14.371 9.444 ( -0.145 -0.000 7.119) 7.121 9.479 ( 0.564 0.000 4.977) 5.009 ======================= Grid point 218 (80/147) ======================= q-point: (-0.69 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -0.414 -0.001 0.929) 1.017 1.949 ( -0.193 -0.005 -0.528) 0.562 2.082 ( -2.025 0.214 -2.358) 3.115 2.155 ( -1.072 0.202 -5.238) 5.351 2.311 ( -10.516 1.592 2.851) 11.011 2.337 ( -5.275 -0.875 1.073) 5.454 2.390 ( -0.908 -0.384 -2.568) 2.751 2.475 ( -6.311 1.158 -4.009) 7.566 2.593 ( -6.103 -1.343 1.493) 6.425 2.611 ( -5.684 -2.150 1.733) 6.319 2.705 ( -0.890 -0.481 4.177) 4.298 2.840 ( 5.452 0.193 -2.484) 5.994 2.966 ( -1.857 -0.039 2.199) 2.879 3.001 ( -0.376 -0.043 -0.154) 0.409 3.059 ( 1.379 -0.075 4.093) 4.320 3.098 ( 6.564 0.830 2.124) 6.949 3.257 ( 0.959 0.903 -1.473) 1.976 3.268 ( 0.123 -0.267 -2.033) 2.054 3.293 ( 1.275 -0.666 -1.423) 2.023 3.396 ( 3.216 -2.062 -6.939) 7.922 3.467 ( 1.302 -0.015 1.963) 2.355 3.542 ( 1.400 -0.211 -0.721) 1.589 3.777 ( -0.800 0.857 7.487) 7.578 3.982 ( -0.594 3.196 -2.997) 4.421 4.202 ( -1.527 0.004 2.599) 3.014 4.310 ( -0.624 -0.891 -2.098) 2.363 6.279 ( -1.698 -0.168 -1.264) 2.123 6.309 ( -4.048 0.038 -2.704) 4.868 6.599 ( -1.297 -0.885 5.346) 5.572 6.647 ( -6.853 -0.539 4.282) 8.099 6.866 ( -4.159 -0.107 -0.550) 4.196 6.889 ( 2.180 0.280 0.460) 2.246 6.948 ( 2.312 0.205 -3.104) 3.876 7.074 ( 2.739 1.105 -6.005) 6.692 7.151 ( -1.282 -0.882 2.142) 2.648 7.217 ( 0.831 -0.048 -0.551) 0.998 7.389 ( -0.647 0.166 2.475) 2.564 7.499 ( 1.485 0.305 -3.804) 4.095 7.607 ( -4.388 -0.312 2.865) 5.250 7.737 ( 4.014 0.116 1.933) 4.457 7.843 ( -4.022 -0.355 -3.404) 5.281 8.060 ( 5.870 0.489 -9.042) 10.791 8.252 ( -6.263 -0.783 16.178) 17.365 8.530 ( 2.298 0.213 14.108) 14.296 8.932 ( -2.897 -0.310 -17.637) 17.876 9.081 ( 1.168 0.147 -13.156) 13.208 9.453 ( 1.021 -0.049 7.632) 7.700 9.505 ( 2.135 0.049 4.249) 4.755 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -6.019 0.290 1.463) 6.201 1.911 ( -1.839 -0.257 1.526) 2.403 2.014 ( -8.093 0.136 -2.432) 8.452 2.040 ( -5.040 -0.467 -2.481) 5.637 2.202 ( -4.609 -0.529 0.832) 4.713 2.214 ( -4.893 -2.722 0.935) 5.676 2.337 ( -4.175 0.838 -3.901) 5.775 2.400 ( -2.071 -0.294 -4.312) 4.793 2.479 ( -6.759 -3.139 1.105) 7.534 2.520 ( -5.477 -4.827 -0.173) 7.302 2.701 ( 0.383 0.104 7.391) 7.401 2.931 ( 0.891 1.777 -2.826) 3.455 2.938 ( 1.447 0.880 0.493) 1.764 2.993 ( -0.065 -1.536 -0.568) 1.639 3.099 ( 1.795 -0.548 2.801) 3.371 3.204 ( 4.535 1.378 1.709) 5.038 3.231 ( -1.642 0.590 -3.405) 3.826 3.293 ( 2.037 0.564 -0.774) 2.251 3.328 ( 1.292 0.744 0.825) 1.704 3.443 ( -0.554 0.110 -4.358) 4.394 3.481 ( 0.862 -1.599 0.458) 1.873 3.571 ( 1.446 -0.221 -0.862) 1.698 3.754 ( -0.925 0.520 6.649) 6.733 3.930 ( -2.468 4.076 -2.654) 5.454 4.088 ( -9.681 1.115 2.880) 10.162 4.203 ( -10.231 0.866 -2.148) 10.489 6.252 ( -1.569 -0.724 -1.450) 2.256 6.269 ( 0.575 -0.607 -2.090) 2.251 6.507 ( -7.681 -1.218 3.843) 8.674 6.569 ( -3.227 -1.231 2.317) 4.159 6.772 ( -3.807 -0.488 1.693) 4.195 6.925 ( 1.936 0.253 -1.608) 2.529 6.972 ( 0.252 -0.093 -1.749) 1.770 7.097 ( 0.543 1.796 -3.405) 3.887 7.163 ( 0.631 -2.141 1.523) 2.702 7.251 ( 1.676 -0.514 -1.717) 2.454 7.370 ( 0.386 0.022 4.669) 4.685 7.503 ( -0.911 1.121 -2.741) 3.098 7.556 ( -1.755 0.067 1.173) 2.112 7.700 ( -4.865 -0.725 -6.889) 8.465 7.884 ( 4.137 -0.078 4.767) 6.312 8.124 ( 1.057 1.923 -0.435) 2.237 8.185 ( -1.739 -4.071 7.993) 9.138 8.587 ( 3.868 0.155 12.964) 13.529 8.892 ( -1.634 -1.366 -18.069) 18.194 9.099 ( 0.671 0.187 -11.197) 11.218 9.484 ( 2.170 0.173 7.939) 8.232 9.559 ( 3.475 0.525 2.949) 4.588 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -9.922 1.189 3.401) 10.556 1.802 ( -9.935 -0.479 -1.696) 10.090 1.902 ( -3.412 0.502 -0.590) 3.499 1.931 ( -6.063 -0.124 -4.208) 7.381 2.095 ( -6.147 -2.494 1.127) 6.729 2.198 ( -1.168 -4.858 5.525) 7.449 2.240 ( -4.346 1.807 -6.137) 7.734 2.338 ( -5.649 -1.376 -1.273) 5.952 2.381 ( -5.638 -6.670 0.849) 8.775 2.476 ( -2.312 -5.633 -1.412) 6.251 2.721 ( 1.220 -0.672 4.991) 5.182 2.877 ( -3.185 2.552 1.042) 4.212 2.967 ( 0.203 0.112 -0.547) 0.594 3.009 ( -1.092 -1.600 -2.163) 2.904 3.111 ( -1.329 -0.381 1.218) 1.842 3.163 ( -4.603 0.447 -1.868) 4.988 3.271 ( 2.297 1.588 0.795) 2.903 3.316 ( -2.108 2.321 -0.505) 3.176 3.330 ( 1.745 2.231 -0.887) 2.968 3.409 ( -0.061 0.811 2.120) 2.270 3.496 ( -0.541 -0.427 -4.464) 4.517 3.596 ( 0.779 0.330 -1.778) 1.969 3.725 ( -4.084 0.469 3.935) 5.691 3.800 ( -12.987 2.788 -0.784) 13.306 3.892 ( -4.194 2.162 2.033) 5.138 3.949 ( -11.753 2.621 -0.333) 12.046 6.257 ( 1.270 -0.966 -0.730) 1.754 6.309 ( 2.977 -0.546 -2.605) 3.993 6.385 ( -5.351 -2.069 3.484) 6.712 6.490 ( -4.881 -2.543 -1.002) 5.594 6.752 ( 0.812 -0.253 4.830) 4.905 6.949 ( -0.431 -0.787 2.084) 2.269 6.982 ( 1.816 0.299 -5.899) 6.179 7.064 ( -3.310 -0.469 -2.712) 4.305 7.196 ( 2.000 -0.026 3.536) 4.062 7.276 ( -0.439 -1.746 -0.604) 1.899 7.413 ( 2.166 -0.485 1.436) 2.644 7.424 ( -7.687 1.162 0.114) 7.775 7.529 ( 0.850 1.587 -1.173) 2.149 7.606 ( -4.976 -0.475 -4.376) 6.644 7.920 ( -0.448 0.267 4.263) 4.295 8.112 ( -4.263 0.864 -5.821) 7.267 8.201 ( 3.161 -6.077 13.313) 14.972 8.681 ( 5.586 -0.064 10.113) 11.554 8.886 ( -0.068 -2.971 -18.392) 18.631 9.105 ( 0.126 0.065 -9.061) 9.062 9.532 ( 3.074 0.632 7.984) 8.579 9.626 ( 3.953 1.229 1.719) 4.482 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -12.416 2.250 4.631) 13.441 1.591 ( -9.685 5.503 -0.265) 11.142 1.788 ( -7.529 1.805 -5.107) 9.275 1.843 ( -3.756 0.583 -2.444) 4.519 1.996 ( -5.560 -3.431 -0.278) 6.539 2.122 ( -6.010 -0.977 -5.082) 7.931 2.208 ( -5.546 -4.119 3.455) 7.724 2.238 ( -2.689 -2.783 -0.444) 3.896 2.359 ( -1.662 -11.681 3.144) 12.210 2.446 ( -3.831 -1.469 2.745) 4.936 2.708 ( -4.770 -0.800 0.218) 4.841 2.767 ( -7.751 2.479 0.232) 8.141 2.872 ( -10.483 2.651 1.807) 10.963 2.964 ( -5.080 -3.285 -0.245) 6.054 3.015 ( -7.287 1.307 0.454) 7.418 3.080 ( -4.899 -1.046 1.810) 5.326 3.184 ( -12.107 5.650 -0.379) 13.366 3.264 ( -1.960 3.021 -2.508) 4.388 3.345 ( -0.479 1.010 -0.935) 1.457 3.431 ( 1.200 1.459 1.191) 2.233 3.447 ( -4.812 1.502 -5.713) 7.618 3.530 ( -2.636 2.578 -2.035) 4.211 3.545 ( -3.562 -0.524 0.147) 3.604 3.647 ( -0.722 -0.973 -2.421) 2.707 3.851 ( 0.131 1.056 3.805) 3.951 3.876 ( 1.424 -0.389 2.921) 3.273 6.279 ( -0.592 -1.218 0.304) 1.388 6.320 ( -2.202 0.359 0.157) 2.237 6.383 ( 2.277 -2.231 -0.362) 3.208 6.450 ( -1.132 -5.070 -1.928) 5.541 6.771 ( 0.071 -0.230 5.534) 5.539 6.936 ( -1.293 -0.815 1.263) 1.983 7.001 ( -1.912 -0.352 -2.002) 2.791 7.023 ( 0.655 -0.077 -4.553) 4.600 7.124 ( -10.938 -1.033 1.000) 11.032 7.139 ( -16.458 1.203 0.426) 16.508 7.302 ( 1.196 -1.324 2.574) 3.132 7.474 ( 3.626 0.274 -2.786) 4.581 7.528 ( -2.157 1.264 0.921) 2.665 7.605 ( 6.308 0.363 -2.322) 6.731 7.877 ( -3.659 -0.067 2.338) 4.342 7.973 ( -8.256 0.778 -1.689) 8.462 8.349 ( 7.197 -6.822 9.481) 13.720 8.781 ( 4.172 0.075 7.617) 8.685 8.932 ( 2.920 -4.534 -17.256) 18.079 9.110 ( 0.473 -0.077 -6.930) 6.946 9.596 ( 4.140 1.209 7.637) 8.770 9.696 ( 4.256 1.943 0.979) 4.780 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -12.760 5.625 5.237) 14.896 1.381 ( -6.845 12.379 4.119) 14.733 1.614 ( -7.982 5.440 -6.560) 11.676 1.755 ( -4.960 1.782 -4.870) 7.176 1.911 ( -5.820 -3.677 -2.339) 7.271 2.005 ( -7.081 -1.139 -6.101) 9.416 2.124 ( -4.123 -4.770 4.464) 7.725 2.203 ( -4.823 -3.677 -0.388) 6.077 2.311 ( -9.908 0.117 6.674) 11.947 2.407 ( -2.181 -7.236 1.883) 7.789 2.504 ( -17.074 -1.017 0.470) 17.111 2.538 ( -11.497 -0.694 0.191) 11.519 2.595 ( -15.911 10.185 5.158) 19.583 2.780 ( -11.379 3.662 1.403) 12.036 2.797 ( -10.295 0.762 -4.101) 11.108 2.907 ( -9.736 2.295 -0.991) 10.051 3.006 ( -2.442 -2.415 2.887) 4.487 3.210 ( -1.245 4.363 -6.210) 7.691 3.337 ( 0.614 -0.496 0.074) 0.793 3.405 ( 1.412 -0.866 -1.051) 1.962 3.487 ( 2.628 -1.229 -0.807) 3.011 3.551 ( 1.963 -3.007 -1.604) 3.932 3.604 ( 5.388 -3.367 -1.897) 6.630 3.654 ( -0.110 -3.704 -2.843) 4.670 3.870 ( 2.257 2.065 5.409) 6.214 3.926 ( 3.516 0.645 2.137) 4.165 6.180 ( -16.431 0.017 0.009) 16.431 6.203 ( -12.468 -1.368 -1.162) 12.597 6.383 ( -3.864 -6.045 1.117) 7.261 6.451 ( -2.543 -3.693 -1.373) 4.689 6.717 ( -2.332 2.662 4.023) 5.358 6.838 ( -5.652 1.324 -0.475) 5.824 6.909 ( -3.824 -1.848 1.558) 4.524 6.986 ( -0.208 -0.334 -0.332) 0.515 7.005 ( -0.443 -4.832 -1.250) 5.010 7.033 ( 0.051 2.036 -4.223) 4.689 7.316 ( -0.477 1.148 1.068) 1.639 7.495 ( 0.444 1.695 0.788) 1.921 7.557 ( 3.747 -0.009 0.236) 3.755 7.703 ( 0.449 0.371 -0.904) 1.075 7.803 ( -4.091 -1.359 -0.238) 4.317 7.830 ( -2.399 2.242 -1.285) 3.527 8.526 ( 7.033 -6.078 7.883) 12.188 8.836 ( 1.722 -0.691 3.642) 4.087 9.042 ( 5.174 -4.759 -11.699) 13.649 9.126 ( 1.166 -0.178 -5.076) 5.211 9.678 ( 5.121 1.859 6.734) 8.662 9.767 ( 4.269 2.654 0.829) 5.094 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -8.262 10.873 7.285) 15.478 1.194 ( -3.457 18.780 7.665) 20.577 1.441 ( -5.496 8.730 -9.877) 14.282 1.601 ( -9.162 7.100 -7.998) 14.083 1.770 ( -11.383 6.705 0.760) 13.233 1.870 ( -5.341 -0.650 -2.438) 5.907 1.974 ( -12.328 5.220 3.316) 13.792 2.089 ( -3.733 -3.544 3.972) 6.501 2.124 ( -9.278 0.653 3.918) 10.092 2.225 ( -7.149 0.301 3.451) 7.944 2.295 ( -4.751 -3.364 -0.643) 5.856 2.329 ( -8.572 -4.803 5.416) 11.219 2.468 ( -2.266 -5.817 -1.343) 6.385 2.630 ( -3.402 2.570 -6.614) 7.869 2.669 ( -2.930 -0.750 -0.150) 3.028 2.740 ( -6.851 2.000 -3.167) 7.808 2.991 ( -1.049 -4.212 3.484) 5.566 3.163 ( -0.738 4.787 -4.183) 6.400 3.366 ( 1.578 -0.723 -0.129) 1.740 3.442 ( 1.102 -1.699 -3.012) 3.630 3.551 ( 2.886 -1.541 2.267) 3.981 3.595 ( 1.003 -2.185 0.270) 2.419 3.690 ( 1.149 -6.038 -2.048) 6.479 3.738 ( 4.018 -8.996 -2.185) 10.092 3.903 ( 2.409 3.142 5.660) 6.908 3.995 ( 3.950 1.147 0.789) 4.188 5.723 ( -24.023 1.451 0.342) 24.069 5.775 ( -28.309 -3.106 -2.337) 28.575 6.375 ( -0.508 -4.967 1.691) 5.271 6.448 ( 1.035 -1.514 -1.210) 2.197 6.700 ( -0.573 3.611 3.970) 5.396 6.813 ( 1.199 1.160 0.181) 1.678 6.883 ( -0.898 -0.813 0.173) 1.224 6.985 ( 0.063 0.967 -4.195) 4.306 7.037 ( 1.668 1.142 -3.031) 3.643 7.064 ( 2.571 -4.886 -2.282) 5.975 7.292 ( -0.015 3.104 3.132) 4.409 7.504 ( 0.104 -0.186 0.901) 0.925 7.595 ( -1.154 0.516 0.249) 1.288 7.628 ( -2.731 2.108 -3.054) 4.607 7.714 ( -3.218 -0.222 2.132) 3.866 7.887 ( 3.761 0.443 -4.175) 5.637 8.678 ( 4.888 -6.648 8.618) 11.931 8.865 ( 0.785 -1.241 3.005) 3.345 9.152 ( 1.362 -0.686 -3.765) 4.062 9.165 ( 3.944 -4.969 -7.464) 9.796 9.762 ( 4.311 2.166 5.125) 7.039 9.823 ( 3.010 3.174 1.262) 4.552 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 0.000 13.647 10.373) 17.142 1.043 ( 0.000 22.843 7.749) 24.122 1.317 ( 0.000 13.272 -10.485) 16.914 1.419 ( 0.000 10.924 -9.985) 14.799 1.507 ( 0.000 23.489 11.844) 26.306 1.837 ( 0.000 1.046 6.380) 6.465 1.845 ( -0.000 -3.837 -4.761) 6.115 2.039 ( -0.000 -2.547 5.610) 6.161 2.049 ( -0.000 -1.976 -4.963) 5.342 2.202 ( -0.000 -2.584 3.218) 4.127 2.262 ( -0.000 -6.888 9.472) 11.711 2.281 ( -0.000 -3.968 -1.071) 4.110 2.481 ( -0.000 -7.104 -7.888) 10.615 2.602 ( 0.000 8.265 -10.102) 13.052 2.639 ( -0.000 -2.569 0.340) 2.591 2.655 ( -0.000 -1.942 -0.361) 1.976 3.010 ( -0.000 -5.267 2.938) 6.031 3.132 ( 0.000 3.731 -1.560) 4.044 3.386 ( 0.000 0.267 -0.417) 0.495 3.464 ( -0.000 -2.007 -2.947) 3.565 3.585 ( 0.000 0.937 1.529) 1.793 3.624 ( -0.000 -3.442 1.084) 3.609 3.744 ( -0.000 -7.119 0.172) 7.121 3.834 ( -0.000 -9.730 -0.789) 9.762 3.915 ( 0.000 2.394 4.815) 5.377 4.047 ( -0.000 -0.392 -0.892) 0.974 5.408 ( 0.000 3.993 0.720) 4.058 5.442 ( 0.000 3.617 -0.729) 3.690 6.405 ( -0.000 -6.546 1.676) 6.757 6.490 ( -0.000 -5.047 -2.082) 5.459 6.637 ( 0.000 9.230 5.623) 10.808 6.820 ( 0.000 1.496 1.387) 2.040 6.874 ( 0.000 1.617 -1.047) 1.926 6.970 ( 0.000 3.750 -10.891) 11.519 7.059 ( -0.000 -0.652 -1.358) 1.507 7.126 ( -0.000 -4.910 -2.629) 5.569 7.286 ( 0.000 0.986 5.255) 5.347 7.490 ( 0.000 0.407 1.593) 1.644 7.561 ( 0.000 0.704 -1.506) 1.662 7.599 ( 0.000 2.717 -7.904) 8.358 7.691 ( -0.000 -0.298 5.909) 5.917 7.922 ( 0.000 0.659 -4.258) 4.308 8.777 ( -0.000 -9.789 10.455) 14.322 8.880 ( -0.000 -1.471 3.714) 3.995 9.169 ( -0.000 -0.502 -2.739) 2.785 9.239 ( -0.000 -6.160 -5.207) 8.066 9.796 ( 0.000 2.456 3.242) 4.067 9.839 ( 0.000 2.922 1.768) 3.415 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -6.047 -0.000 1.604) 6.256 1.909 ( -1.717 -0.000 1.607) 2.351 2.014 ( -10.025 -0.000 -1.695) 10.167 2.038 ( -3.612 -0.000 -2.843) 4.597 2.194 ( -7.842 -0.000 0.901) 7.894 2.204 ( -2.214 -0.000 0.790) 2.351 2.341 ( -3.842 -0.000 -4.035) 5.572 2.403 ( -1.724 -0.000 -5.075) 5.359 2.463 ( -6.946 -0.000 0.220) 6.950 2.487 ( -6.475 -0.000 0.990) 6.550 2.702 ( 0.456 0.000 7.883) 7.896 2.942 ( -0.768 -0.000 1.527) 1.709 2.943 ( 3.776 0.000 -4.677) 6.011 2.983 ( -0.674 -0.000 -0.090) 0.680 3.096 ( 1.784 0.000 2.810) 3.329 3.210 ( 2.829 0.000 1.717) 3.309 3.237 ( 0.031 0.000 -3.478) 3.479 3.296 ( 2.036 0.000 -0.644) 2.136 3.333 ( 1.855 0.000 0.309) 1.880 3.440 ( 0.750 0.000 -6.630) 6.673 3.473 ( 0.170 0.000 3.018) 3.023 3.570 ( 1.550 0.000 -0.778) 1.735 3.758 ( -1.325 -0.000 7.130) 7.252 3.954 ( -3.202 -0.000 -3.049) 4.421 4.094 ( -9.381 -0.000 2.852) 9.805 4.208 ( -9.556 -0.000 -2.109) 9.786 6.248 ( -1.690 -0.000 -1.424) 2.210 6.266 ( 0.731 0.000 -2.243) 2.359 6.500 ( -7.861 -0.000 3.936) 8.791 6.562 ( -3.248 -0.000 2.238) 3.944 6.769 ( -3.746 -0.000 1.839) 4.173 6.926 ( 1.812 0.000 -1.335) 2.250 6.972 ( 0.169 0.000 -2.131) 2.137 7.110 ( -0.459 -0.000 -5.437) 5.456 7.148 ( 1.471 0.000 3.582) 3.872 7.248 ( 1.627 0.000 -1.706) 2.357 7.370 ( 0.083 0.000 4.870) 4.871 7.510 ( -1.082 -0.000 -2.791) 2.993 7.557 ( -1.188 -0.000 0.894) 1.487 7.696 ( -4.971 -0.000 -6.940) 8.537 7.883 ( 4.349 0.000 4.930) 6.574 8.147 ( 2.098 0.000 -9.285) 9.519 8.150 ( -3.343 -0.000 16.972) 17.298 8.588 ( 3.749 0.000 12.812) 13.350 8.884 ( -1.827 -0.000 -18.060) 18.152 9.100 ( 0.628 0.000 -11.126) 11.144 9.485 ( 2.250 0.000 7.996) 8.306 9.562 ( 3.584 0.000 2.896) 4.608 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -9.745 0.422 3.468) 10.353 1.802 ( -7.656 0.162 -2.418) 8.030 1.910 ( -3.043 0.794 -0.556) 3.194 1.926 ( -6.342 -0.618 -4.332) 7.705 2.069 ( -6.188 -1.661 3.322) 7.217 2.164 ( -2.213 -1.319 5.866) 6.407 2.253 ( -4.697 0.516 -5.848) 7.518 2.323 ( -7.563 -2.416 0.565) 7.960 2.348 ( -6.225 1.420 -1.287) 6.514 2.419 ( -0.219 -3.990 -4.577) 6.076 2.718 ( 0.945 -0.039 6.930) 6.994 2.911 ( -2.294 3.317 0.921) 4.137 2.948 ( -1.312 -3.058 0.235) 3.336 3.004 ( -0.768 0.196 -3.770) 3.852 3.108 ( -0.796 -0.070 1.689) 1.869 3.165 ( -4.652 -0.058 -1.018) 4.763 3.285 ( 1.763 0.725 0.264) 1.924 3.329 ( -0.275 0.494 -0.955) 1.110 3.354 ( 0.807 1.482 -1.275) 2.115 3.412 ( -0.832 0.004 0.611) 1.032 3.491 ( 0.418 -0.335 -2.853) 2.903 3.598 ( 1.197 0.101 -1.451) 1.883 3.727 ( -2.753 0.014 4.738) 5.480 3.821 ( -13.500 0.981 -0.752) 13.556 3.908 ( -5.097 0.729 1.732) 5.433 3.972 ( -12.403 1.212 -0.781) 12.486 6.250 ( 1.322 -0.335 -0.720) 1.542 6.306 ( 3.018 -0.090 -2.964) 4.231 6.368 ( -5.250 -0.884 3.695) 6.480 6.470 ( -5.350 -0.955 -0.952) 5.517 6.750 ( 0.907 -0.078 4.988) 5.071 6.943 ( -0.727 -0.293 2.222) 2.356 6.985 ( 1.975 0.152 -6.141) 6.453 7.060 ( -3.737 -0.149 -2.863) 4.710 7.197 ( 3.060 0.146 3.361) 4.548 7.261 ( -1.483 -0.781 -0.177) 1.686 7.409 ( 2.875 -0.231 1.704) 3.350 7.432 ( -7.754 0.390 -0.076) 7.765 7.542 ( 0.435 0.679 -1.550) 1.748 7.602 ( -4.473 -0.253 -4.332) 6.232 7.922 ( -0.665 0.084 4.459) 4.509 8.119 ( -4.755 0.311 -6.026) 7.683 8.154 ( 3.384 -2.167 13.844) 14.415 8.680 ( 5.604 -0.055 9.661) 11.169 8.864 ( -0.432 -1.012 -18.364) 18.397 9.106 ( 0.057 0.023 -8.982) 8.983 9.537 ( 3.188 0.204 8.126) 8.732 9.636 ( 4.079 0.414 1.637) 4.415 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -11.491 1.442 3.464) 12.088 1.657 ( -5.845 5.534 -4.106) 9.036 1.805 ( -5.585 1.130 -4.164) 7.058 1.847 ( -3.969 0.146 -1.810) 4.365 1.964 ( -5.639 -2.257 2.323) 6.503 2.109 ( -5.616 -0.878 -0.344) 5.695 2.172 ( -5.174 -2.282 3.760) 6.791 2.208 ( -5.698 -4.454 -1.989) 7.501 2.250 ( -2.495 -5.477 1.847) 6.295 2.430 ( -1.047 -1.317 -0.984) 1.949 2.699 ( -5.018 -0.554 2.260) 5.531 2.806 ( -7.608 3.998 -0.218) 8.598 2.889 ( -10.166 0.598 -0.142) 10.184 2.922 ( -5.175 -4.067 0.577) 6.608 3.031 ( -6.413 1.527 1.752) 6.822 3.067 ( -5.135 -1.268 2.373) 5.797 3.244 ( -7.764 4.663 -0.426) 9.067 3.287 ( -1.359 0.914 -0.984) 1.911 3.354 ( -0.754 0.593 -2.069) 2.281 3.433 ( 1.305 -0.235 -3.482) 3.726 3.477 ( -4.082 2.844 -2.109) 5.404 3.536 ( -7.675 -1.017 0.413) 7.753 3.560 ( -6.916 2.618 -1.816) 7.615 3.633 ( -1.274 -1.512 -2.922) 3.528 3.861 ( 0.150 0.639 3.606) 3.665 3.871 ( 1.335 -0.394 3.378) 3.653 6.260 ( -0.885 -1.601 1.316) 2.253 6.326 ( -1.028 0.713 0.474) 1.338 6.365 ( 1.752 -1.266 -1.963) 2.921 6.403 ( -2.458 -2.962 -1.609) 4.172 6.769 ( 0.228 -0.168 5.562) 5.569 6.928 ( -0.792 -0.639 1.241) 1.605 6.997 ( -2.426 -0.324 -1.251) 2.749 7.024 ( 1.447 0.300 -5.656) 5.846 7.117 ( -12.255 -0.322 1.092) 12.308 7.152 ( -15.585 0.884 -0.433) 15.616 7.293 ( 1.646 -0.385 4.169) 4.499 7.474 ( 3.803 -0.134 -2.055) 4.324 7.540 ( -1.727 0.845 1.450) 2.408 7.606 ( 5.770 -0.061 -3.108) 6.554 7.876 ( -3.783 -0.182 2.684) 4.642 7.983 ( -7.822 0.935 -2.226) 8.186 8.287 ( 7.669 -4.103 9.503) 12.882 8.782 ( 3.993 0.034 7.514) 8.509 8.893 ( 2.996 -2.458 -18.070) 18.481 9.109 ( 0.423 -0.043 -6.893) 6.906 9.606 ( 4.256 0.568 7.947) 9.033 9.713 ( 4.369 0.990 0.928) 4.575 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -10.571 4.466 3.437) 11.979 1.517 ( -3.674 11.045 -2.928) 12.003 1.671 ( -6.315 5.177 -3.302) 8.808 1.771 ( -3.634 1.209 -2.561) 4.608 1.878 ( -4.970 -2.278 -1.163) 5.589 1.991 ( -6.575 -1.215 -4.526) 8.074 2.079 ( -4.509 -3.028 2.511) 5.984 2.141 ( -5.034 -7.095 -1.456) 8.820 2.273 ( -3.048 -6.640 7.404) 10.402 2.376 ( -4.484 1.626 1.967) 5.160 2.478 ( -17.790 -2.432 0.596) 17.965 2.534 ( -15.457 -0.316 -1.402) 15.524 2.678 ( -10.857 4.003 3.642) 12.131 2.780 ( -9.891 -2.920 -1.762) 10.463 2.863 ( -12.022 9.162 2.928) 15.396 2.950 ( -9.192 4.338 3.482) 10.744 2.991 ( -4.335 1.079 1.904) 4.856 3.252 ( -1.125 2.150 -5.405) 5.925 3.322 ( -1.624 -1.803 -2.239) 3.302 3.400 ( 0.629 0.020 -0.311) 0.702 3.462 ( 0.420 -3.227 -4.114) 5.245 3.507 ( 1.097 -4.511 -2.221) 5.147 3.562 ( 1.861 -2.543 -0.052) 3.152 3.640 ( 1.374 0.006 -4.397) 4.606 3.890 ( 2.806 1.434 5.269) 6.139 3.932 ( 4.052 0.335 2.894) 4.990 6.184 ( -16.988 0.613 0.066) 17.000 6.196 ( -13.767 0.260 -0.508) 13.779 6.317 ( -3.698 -5.559 1.398) 6.821 6.406 ( -0.457 -3.999 -2.001) 4.495 6.738 ( -2.154 0.957 4.065) 4.699 6.856 ( -5.702 1.825 -0.337) 5.997 6.897 ( -5.297 -0.443 1.210) 5.452 6.956 ( -0.580 -3.367 -0.412) 3.442 6.986 ( 0.642 -0.122 -0.239) 0.696 7.055 ( 0.966 1.672 -4.952) 5.315 7.330 ( 1.441 1.389 2.737) 3.391 7.514 ( -0.252 1.572 4.596) 4.864 7.555 ( 3.844 -0.311 -1.795) 4.254 7.703 ( 1.210 -0.393 -2.039) 2.403 7.791 ( -4.742 -0.796 0.554) 4.841 7.853 ( -2.664 1.717 -1.911) 3.700 8.467 ( 7.885 -4.385 6.657) 11.212 8.828 ( 1.246 -0.734 1.750) 2.270 8.999 ( 5.497 -2.911 -11.401) 12.988 9.125 ( 1.132 -0.129 -5.037) 5.164 9.694 ( 5.161 1.012 7.349) 9.037 9.791 ( 4.401 1.672 0.819) 4.779 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -6.528 8.494 4.555) 11.641 1.397 ( -0.918 16.425 0.135) 16.451 1.521 ( -5.478 6.305 -6.436) 10.544 1.674 ( -5.364 6.066 -4.562) 9.294 1.789 ( -4.988 -0.410 -2.046) 5.407 1.870 ( -5.510 -0.347 -4.283) 6.987 2.005 ( -11.730 -0.531 1.909) 11.896 2.050 ( -2.707 -3.031 1.493) 4.330 2.117 ( -9.285 -2.164 2.173) 9.779 2.208 ( -5.520 -4.216 1.039) 7.023 2.275 ( -7.877 -4.946 4.332) 10.260 2.334 ( -10.306 4.429 4.608) 12.127 2.436 ( -5.431 5.225 3.058) 8.133 2.631 ( -4.428 -0.898 -1.998) 4.940 2.662 ( -4.327 0.151 0.595) 4.370 2.791 ( -4.990 5.678 -1.470) 7.701 2.953 ( -1.524 -2.510 5.434) 6.177 3.218 ( -0.566 4.392 -7.070) 8.342 3.332 ( 0.155 -5.757 -1.276) 5.898 3.430 ( 1.254 -0.537 -2.438) 2.794 3.508 ( 1.537 -5.648 0.309) 5.862 3.563 ( 1.160 -5.270 -1.432) 5.583 3.604 ( 0.573 -4.336 0.136) 4.376 3.694 ( 3.424 -1.526 -4.628) 5.956 3.933 ( 2.407 2.256 5.735) 6.616 4.005 ( 3.531 0.742 1.737) 4.004 5.740 ( -22.592 1.369 0.039) 22.634 5.755 ( -25.267 -0.731 -0.762) 25.289 6.325 ( -0.181 -3.799 2.144) 4.366 6.425 ( 0.571 -2.130 -2.072) 3.026 6.724 ( -0.077 0.471 4.310) 4.336 6.823 ( 0.594 0.829 0.694) 1.234 6.868 ( 0.333 -1.332 -0.038) 1.373 6.981 ( 0.410 -2.830 -3.414) 4.453 7.028 ( 2.916 -0.173 -0.870) 3.048 7.062 ( 1.394 2.791 -3.481) 4.674 7.334 ( 0.902 4.279 3.535) 5.623 7.504 ( -0.369 0.293 4.365) 4.390 7.601 ( -0.762 0.533 -1.958) 2.167 7.646 ( -2.330 1.050 -1.600) 3.015 7.705 ( -3.746 -1.263 2.384) 4.616 7.890 ( 3.337 -0.008 -5.035) 6.041 8.617 ( 4.812 -4.297 5.554) 8.512 8.850 ( 0.556 -1.309 1.095) 1.795 9.112 ( 3.847 -3.739 -8.145) 9.753 9.150 ( 1.269 -0.246 -3.749) 3.966 9.781 ( 4.072 1.272 6.309) 7.616 9.854 ( 3.003 2.352 1.200) 3.999 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.000 11.186 6.663) 13.020 1.286 ( 0.000 20.679 4.996) 21.274 1.425 ( 0.000 6.350 -13.296) 14.734 1.540 ( 0.000 10.586 -6.946) 12.661 1.704 ( 0.000 9.035 1.535) 9.164 1.833 ( 0.000 0.731 -3.860) 3.929 1.846 ( 0.000 0.461 4.959) 4.981 2.022 ( -0.000 -2.734 -4.242) 5.047 2.041 ( 0.000 3.810 10.245) 10.930 2.170 ( -0.000 -3.078 2.443) 3.929 2.212 ( -0.000 -0.530 11.522) 11.534 2.229 ( -0.000 -5.312 -0.754) 5.365 2.395 ( -0.000 -6.546 -4.866) 8.156 2.612 ( -0.000 -2.190 0.513) 2.249 2.634 ( -0.000 -1.787 -0.466) 1.847 2.697 ( 0.000 8.042 -6.486) 10.332 2.957 ( -0.000 -3.927 5.472) 6.736 3.185 ( 0.000 5.194 -5.700) 7.712 3.369 ( -0.000 -4.444 -0.974) 4.549 3.445 ( -0.000 -0.928 -3.334) 3.461 3.558 ( -0.000 -5.524 2.683) 6.141 3.596 ( -0.000 -1.811 -0.469) 1.870 3.646 ( -0.000 -9.156 -0.309) 9.161 3.753 ( -0.000 -4.259 -3.348) 5.418 3.946 ( 0.000 2.571 5.480) 6.054 4.044 ( -0.000 -0.084 0.732) 0.737 5.451 ( 0.000 3.449 0.605) 3.501 5.480 ( 0.000 3.050 -0.654) 3.120 6.344 ( -0.000 -4.332 2.058) 4.796 6.446 ( -0.000 -2.857 -2.427) 3.748 6.710 ( 0.000 3.166 5.767) 6.579 6.828 ( 0.000 0.069 1.385) 1.386 6.883 ( 0.000 0.034 -1.070) 1.071 6.989 ( 0.000 0.360 -6.137) 6.148 7.067 ( -0.000 -0.234 -2.232) 2.244 7.074 ( -0.000 -1.154 -2.189) 2.474 7.321 ( 0.000 4.532 5.036) 6.776 7.494 ( 0.000 0.362 1.666) 1.705 7.568 ( 0.000 0.540 -1.551) 1.643 7.621 ( 0.000 1.206 -3.024) 3.256 7.684 ( -0.000 -0.870 3.274) 3.388 7.925 ( -0.000 -0.159 -4.888) 4.891 8.692 ( -0.000 -5.633 6.498) 8.600 8.864 ( -0.000 -1.523 1.957) 2.480 9.162 ( -0.000 -0.972 -3.447) 3.581 9.179 ( -0.000 -4.192 -6.382) 7.636 9.817 ( 0.000 1.391 5.178) 5.362 9.871 ( 0.000 2.718 1.610) 3.159 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -11.053 -0.000 3.081) 11.475 1.693 ( -4.355 -0.000 -7.866) 8.991 1.812 ( -4.271 -0.000 -2.682) 5.043 1.847 ( -4.357 -0.000 -1.674) 4.667 1.950 ( -5.440 -0.000 4.446) 7.026 2.106 ( -3.518 -0.000 4.965) 6.085 2.158 ( -8.134 -0.000 0.413) 8.145 2.164 ( -5.656 -0.000 0.384) 5.669 2.232 ( -3.663 -0.000 -1.508) 3.961 2.422 ( 0.159 0.000 -2.500) 2.505 2.696 ( -5.132 -0.000 3.093) 5.992 2.840 ( -8.577 -0.000 -1.958) 8.798 2.882 ( -4.957 -0.000 2.059) 5.368 2.896 ( -9.597 -0.000 -0.419) 9.606 3.045 ( -6.727 -0.000 1.534) 6.900 3.055 ( -4.704 -0.000 3.220) 5.701 3.280 ( -3.326 -0.000 -0.811) 3.424 3.283 ( -3.641 -0.000 0.023) 3.641 3.358 ( -0.509 -0.000 -2.491) 2.542 3.431 ( 0.988 0.000 -4.305) 4.417 3.497 ( 0.345 0.000 -2.246) 2.272 3.527 ( -13.084 -0.000 0.840) 13.111 3.579 ( -10.406 -0.000 -0.950) 10.449 3.620 ( 0.255 0.000 -3.791) 3.799 3.866 ( 0.175 0.000 3.324) 3.329 3.867 ( 1.295 0.000 3.804) 4.018 6.251 ( -0.954 -0.000 1.625) 1.884 6.332 ( -0.062 -0.000 1.137) 1.139 6.355 ( 1.069 0.000 -3.124) 3.302 6.387 ( -3.074 -0.000 -1.397) 3.376 6.768 ( 0.239 0.000 5.573) 5.579 6.924 ( -0.720 -0.000 1.250) 1.443 6.995 ( -2.541 -0.000 -1.088) 2.764 7.027 ( 1.814 0.000 -6.068) 6.334 7.115 ( -12.912 -0.000 1.138) 12.962 7.157 ( -14.823 -0.000 -0.724) 14.841 7.292 ( 1.605 0.000 4.812) 5.072 7.473 ( 3.869 0.000 -1.750) 4.247 7.545 ( -1.487 -0.000 1.858) 2.380 7.605 ( 5.487 0.000 -3.664) 6.598 7.874 ( -3.808 -0.000 2.852) 4.757 7.989 ( -7.645 -0.000 -2.604) 8.076 8.263 ( 7.829 0.000 9.667) 12.440 8.782 ( 3.906 0.000 7.451) 8.413 8.879 ( 3.046 0.000 -18.340) 18.591 9.109 ( 0.404 0.000 -6.881) 6.893 9.609 ( 4.289 0.000 8.059) 9.129 9.718 ( 4.409 0.000 0.908) 4.501 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -9.480 1.713 2.360) 9.918 1.599 ( -4.620 3.170 -11.390) 12.693 1.739 ( -2.527 6.222 0.258) 6.720 1.779 ( -2.325 -0.289 -1.754) 2.927 1.859 ( -4.509 -1.204 2.196) 5.158 1.989 ( -6.789 1.755 -1.889) 7.262 2.050 ( -6.057 -6.872 -0.766) 9.192 2.060 ( -4.371 -1.822 0.237) 4.742 2.217 ( -0.401 -2.673 7.686) 8.147 2.398 ( -3.295 1.392 0.499) 3.612 2.458 ( -18.700 -0.903 0.662) 18.733 2.530 ( -19.407 -0.297 -1.901) 19.502 2.708 ( -10.097 2.068 2.169) 10.532 2.746 ( -8.823 -2.735 -0.114) 9.238 2.931 ( -6.037 3.344 5.307) 8.706 2.957 ( -5.175 -1.403 5.787) 7.889 3.084 ( -10.487 12.213 0.082) 16.097 3.210 ( -6.084 -9.140 0.005) 10.980 3.331 ( -1.329 2.428 -5.733) 6.367 3.403 ( 0.044 0.280 0.013) 0.283 3.422 ( -1.958 -3.116 -9.017) 9.739 3.472 ( 0.999 -1.523 -1.815) 2.571 3.547 ( 2.013 -0.510 0.422) 2.119 3.642 ( 1.698 0.089 -4.752) 5.047 3.901 ( 2.988 0.507 5.157) 5.982 3.934 ( 4.418 0.106 3.354) 5.548 6.191 ( -17.544 0.430 0.188) 17.550 6.209 ( -16.319 1.594 -0.591) 16.407 6.264 ( -1.333 -3.483 1.929) 4.199 6.372 ( 0.883 -1.752 -2.287) 3.013 6.742 ( -2.315 0.018 3.988) 4.611 6.875 ( -5.866 1.483 -0.744) 6.096 6.892 ( -6.105 -0.696 0.997) 6.225 6.931 ( -0.556 -1.104 0.219) 1.255 6.986 ( 0.872 -0.009 -0.128) 0.881 7.068 ( 1.636 0.579 -5.350) 5.625 7.343 ( 2.735 0.721 3.941) 4.851 7.528 ( -0.514 0.717 6.998) 7.054 7.551 ( 3.865 -0.231 -2.680) 4.710 7.698 ( 1.618 -0.380 -3.706) 4.061 7.786 ( -5.175 -0.221 1.326) 5.347 7.866 ( -3.049 0.673 -2.299) 3.877 8.433 ( 8.557 -1.630 6.167) 10.673 8.821 ( 0.966 -0.335 0.158) 1.034 8.977 ( 5.700 -0.946 -10.712) 12.171 9.124 ( 1.111 -0.047 -5.016) 5.137 9.701 ( 5.178 0.319 7.676) 9.265 9.804 ( 4.483 0.569 0.792) 4.588 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -5.564 4.814 2.357) 7.726 1.501 ( -3.105 2.559 -11.223) 11.923 1.634 ( -3.076 13.731 2.961) 14.379 1.732 ( -2.193 4.031 -1.929) 4.977 1.782 ( -3.763 -0.705 -2.972) 4.847 1.861 ( -6.259 -1.499 -3.566) 7.358 1.979 ( -7.561 -3.443 -0.381) 8.317 2.012 ( -2.141 -3.715 -0.515) 4.319 2.093 ( -11.474 -1.715 2.303) 11.828 2.176 ( -7.469 -1.145 1.831) 7.775 2.223 ( -6.680 -3.696 3.533) 8.412 2.312 ( -9.360 -3.667 0.002) 10.053 2.548 ( -3.243 6.640 5.983) 9.508 2.620 ( -4.390 -0.981 -0.694) 4.551 2.713 ( -9.056 10.449 3.882) 14.362 2.843 ( -4.778 2.745 3.688) 6.631 2.942 ( -1.913 1.418 5.564) 6.052 3.185 ( -2.772 -12.721 0.082) 13.020 3.305 ( -0.059 3.803 -9.334) 10.079 3.424 ( 0.858 -1.272 -4.871) 5.107 3.440 ( 1.124 -5.043 -1.596) 5.408 3.516 ( 1.719 -2.162 -1.501) 3.144 3.586 ( 1.470 -0.678 0.238) 1.636 3.681 ( 2.123 -0.827 -5.340) 5.806 3.953 ( 2.430 1.230 5.959) 6.552 4.012 ( 3.355 0.386 2.454) 4.175 5.752 ( -22.272 0.671 -0.120) 22.282 5.753 ( -23.345 0.195 -0.157) 23.346 6.292 ( 0.758 -2.030 2.414) 3.244 6.406 ( 1.360 -1.221 -2.409) 3.024 6.719 ( -0.703 -0.910 4.320) 4.470 6.830 ( -0.705 0.353 1.359) 1.571 6.858 ( 0.890 -0.585 -0.904) 1.397 6.947 ( 0.486 -2.465 -2.496) 3.542 7.033 ( 3.382 0.470 -0.242) 3.424 7.092 ( 1.622 2.185 -4.347) 5.129 7.380 ( 2.247 3.545 4.050) 5.833 7.510 ( -0.794 0.803 6.574) 6.670 7.605 ( -0.067 0.129 -3.279) 3.283 7.651 ( -2.431 -0.165 -0.233) 2.447 7.690 ( -4.550 -1.152 3.182) 5.670 7.888 ( 2.752 -0.170 -6.163) 6.752 8.582 ( 5.228 -2.113 3.862) 6.834 8.837 ( 0.413 -0.883 -0.762) 1.238 9.080 ( 3.780 -1.860 -8.096) 9.127 9.148 ( 1.209 -0.129 -3.678) 3.874 9.791 ( 3.955 0.601 7.021) 8.081 9.875 ( 3.050 1.248 1.109) 3.477 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 7.630 3.426) 8.364 1.465 ( 0.000 1.338 -12.116) 12.190 1.498 ( 0.000 17.194 2.966) 17.448 1.648 ( 0.000 8.331 -4.058) 9.267 1.744 ( 0.000 0.813 -3.037) 3.144 1.827 ( -0.000 -1.305 -4.157) 4.357 1.843 ( -0.000 -1.385 3.745) 3.993 1.990 ( -0.000 -2.916 -3.577) 4.615 2.069 ( 0.000 0.416 5.202) 5.219 2.136 ( -0.000 -2.964 1.367) 3.264 2.167 ( -0.000 -5.491 -0.348) 5.502 2.210 ( -0.000 -4.674 4.951) 6.808 2.433 ( 0.000 16.053 7.972) 17.923 2.593 ( -0.000 -1.236 0.593) 1.371 2.617 ( -0.000 -1.333 -0.463) 1.411 2.772 ( 0.000 4.993 -0.209) 4.997 2.925 ( -0.000 -1.520 7.446) 7.599 3.219 ( -0.000 -4.689 -3.394) 5.788 3.295 ( -0.000 -3.152 -6.104) 6.870 3.440 ( -0.000 -0.679 -4.172) 4.227 3.488 ( -0.000 -6.634 0.013) 6.634 3.547 ( -0.000 -3.232 -1.499) 3.562 3.606 ( -0.000 -0.913 0.586) 1.084 3.718 ( -0.000 -2.511 -4.963) 5.562 3.970 ( 0.000 1.680 6.013) 6.243 4.045 ( 0.000 0.248 1.826) 1.843 5.482 ( 0.000 2.161 0.499) 2.218 5.507 ( 0.000 1.876 -0.594) 1.968 6.309 ( -0.000 -2.080 2.387) 3.166 6.425 ( -0.000 -0.969 -2.743) 2.909 6.717 ( -0.000 -0.998 5.655) 5.742 6.824 ( -0.000 -0.555 1.371) 1.479 6.878 ( -0.000 -0.713 -1.037) 1.259 6.968 ( -0.000 -3.220 -4.719) 5.713 7.069 ( 0.000 1.265 -0.873) 1.537 7.097 ( 0.000 2.897 -2.887) 4.090 7.379 ( 0.000 5.693 5.234) 7.733 7.498 ( 0.000 0.245 1.702) 1.719 7.573 ( 0.000 0.310 -1.573) 1.604 7.627 ( 0.000 0.138 3.738) 3.741 7.670 ( -0.000 -1.744 0.218) 1.758 7.920 ( -0.000 -0.618 -6.272) 6.302 8.646 ( -0.000 -2.837 3.693) 4.657 8.848 ( -0.000 -1.291 -0.012) 1.291 9.132 ( -0.000 -2.861 -7.157) 7.708 9.163 ( -0.000 -0.307 -3.271) 3.285 9.829 ( 0.000 0.780 6.393) 6.440 9.897 ( 0.000 1.854 1.397) 2.322 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -5.243 -0.000 1.501) 5.454 1.510 ( -4.191 -0.000 -10.616) 11.413 1.749 ( -0.720 -0.000 -4.503) 4.560 1.756 ( -0.927 -0.000 -1.318) 1.611 1.771 ( -3.064 -0.000 2.657) 4.056 1.835 ( -9.499 -0.000 -0.855) 9.537 1.950 ( -3.694 -0.000 -2.074) 4.236 1.991 ( -2.670 -0.000 -2.512) 3.666 2.082 ( -13.449 -0.000 2.937) 13.766 2.171 ( -5.386 -0.000 4.413) 6.963 2.204 ( -9.031 -0.000 1.039) 9.090 2.288 ( -9.923 -0.000 -0.087) 9.923 2.575 ( -1.546 -0.000 3.853) 4.152 2.614 ( -3.903 -0.000 -0.248) 3.911 2.815 ( -8.619 -0.000 9.458) 12.796 2.838 ( -5.016 -0.000 4.424) 6.688 3.011 ( -5.046 -0.000 7.415) 8.969 3.035 ( -2.595 -0.000 -2.534) 3.627 3.345 ( 0.908 0.000 -7.080) 7.138 3.388 ( -0.540 -0.000 -13.108) 13.119 3.426 ( 1.588 0.000 1.645) 2.287 3.506 ( 2.248 0.000 -1.754) 2.851 3.582 ( 1.516 0.000 0.197) 1.529 3.677 ( 1.593 0.000 -5.568) 5.791 3.960 ( 2.473 0.000 6.050) 6.536 4.014 ( 3.297 0.000 2.724) 4.277 5.753 ( -23.274 -0.000 -0.022) 23.274 5.757 ( -21.750 -0.000 -0.150) 21.751 6.281 ( 1.259 0.000 2.510) 2.808 6.399 ( 1.839 0.000 -2.508) 3.110 6.713 ( -0.951 -0.000 4.329) 4.432 6.832 ( -1.442 -0.000 1.718) 2.243 6.855 ( 1.101 0.000 -1.401) 1.782 6.933 ( 0.379 0.000 -2.217) 2.249 7.036 ( 3.529 0.000 -0.003) 3.529 7.105 ( 1.857 0.000 -4.665) 5.021 7.402 ( 2.954 0.000 4.277) 5.198 7.517 ( -0.901 -0.000 7.120) 7.177 7.605 ( 0.560 0.000 -3.140) 3.190 7.648 ( -3.009 -0.000 -0.414) 3.037 7.684 ( -4.882 -0.000 3.910) 6.255 7.887 ( 2.479 0.000 -6.712) 7.155 8.570 ( 5.452 0.000 3.343) 6.396 8.832 ( 0.367 0.000 -1.548) 1.591 9.070 ( 3.745 0.000 -7.951) 8.789 9.148 ( 1.195 0.000 -3.662) 3.852 9.795 ( 3.924 0.000 7.258) 8.251 9.882 ( 3.074 0.000 1.071) 3.255 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.000 2.773 1.481) 3.144 1.468 ( -0.000 -0.234 -9.790) 9.793 1.661 ( 0.000 11.211 0.961) 11.252 1.713 ( 0.000 2.378 -1.725) 2.938 1.746 ( -0.000 -0.007 -5.598) 5.598 1.811 ( -0.000 -3.864 3.706) 5.354 1.817 ( -0.000 -0.439 -4.351) 4.373 1.963 ( -0.000 -1.567 -3.456) 3.795 2.076 ( 0.000 1.243 3.128) 3.366 2.111 ( -0.000 -1.176 0.469) 1.267 2.118 ( -0.000 -2.702 0.004) 2.702 2.146 ( -0.000 -4.690 3.046) 5.593 2.584 ( -0.000 -0.345 0.578) 0.673 2.606 ( -0.000 -0.519 -0.394) 0.651 2.638 ( 0.000 15.628 12.390) 19.943 2.793 ( -0.000 -1.718 4.398) 4.722 2.937 ( 0.000 4.679 7.395) 8.751 3.072 ( -0.000 -14.808 0.927) 14.837 3.334 ( 0.000 5.362 -10.089) 11.426 3.405 ( -0.000 -5.223 -10.697) 11.904 3.447 ( -0.000 -0.774 2.244) 2.374 3.533 ( -0.000 -0.249 -1.726) 1.744 3.599 ( -0.000 -0.306 0.189) 0.360 3.697 ( -0.000 -1.135 -5.766) 5.876 3.983 ( 0.000 0.665 6.332) 6.367 4.047 ( 0.000 0.096 2.411) 2.413 5.498 ( 0.000 0.704 0.437) 0.829 5.521 ( 0.000 0.606 -0.565) 0.829 6.295 ( -0.000 -0.537 2.581) 2.636 6.420 ( -0.000 -0.119 -2.938) 2.940 6.704 ( -0.000 -0.754 5.590) 5.641 6.819 ( -0.000 -0.317 1.354) 1.391 6.871 ( -0.000 -0.412 -0.990) 1.073 6.940 ( -0.000 -1.395 -3.951) 4.190 7.078 ( 0.000 0.392 -0.280) 0.482 7.123 ( 0.000 1.354 -3.550) 3.800 7.434 ( 0.000 3.260 5.103) 6.056 7.499 ( 0.000 0.086 1.712) 1.714 7.575 ( 0.000 0.097 -1.579) 1.582 7.627 ( -0.000 -0.029 8.156) 8.156 7.649 ( -0.000 -1.504 -1.013) 1.814 7.914 ( -0.000 -0.330 -7.638) 7.645 8.626 ( -0.000 -0.850 2.418) 2.563 8.837 ( -0.000 -0.519 -1.413) 1.505 9.110 ( -0.000 -0.966 -7.284) 7.348 9.161 ( -0.000 -0.087 -3.154) 3.155 9.835 ( 0.000 0.261 6.961) 6.966 9.911 ( 0.000 0.652 1.281) 1.437 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.000 0.000 -19.093) 19.093 0.740 ( 0.000 0.000 19.093) 19.093 0.850 ( 0.000 0.000 -20.916) 20.916 0.850 ( 0.000 0.000 20.916) 20.916 1.575 ( 0.000 0.000 -36.852) 36.852 1.575 ( 0.000 0.000 36.852) 36.852 1.960 ( 0.000 0.000 -7.318) 7.318 1.960 ( 0.000 0.000 7.318) 7.318 2.180 ( 0.000 0.000 -0.248) 0.248 2.180 ( 0.000 0.000 0.248) 0.248 2.307 ( 0.000 0.000 -2.690) 2.690 2.307 ( 0.000 0.000 2.690) 2.690 2.544 ( 0.000 0.000 -5.814) 5.814 2.544 ( 0.000 0.000 5.814) 5.814 2.694 ( 0.000 0.000 -0.539) 0.539 2.694 ( 0.000 0.000 0.539) 0.539 3.165 ( 0.000 0.000 -4.373) 4.373 3.165 ( 0.000 0.000 4.373) 4.373 3.439 ( 0.000 0.000 -4.673) 4.673 3.439 ( 0.000 0.000 4.673) 4.673 3.538 ( 0.000 0.000 -0.248) 0.248 3.538 ( 0.000 0.000 0.248) 0.248 3.958 ( 0.000 0.000 -0.247) 0.247 3.958 ( 0.000 0.000 0.247) 0.247 4.010 ( 0.000 0.000 -4.571) 4.571 4.010 ( 0.000 0.000 4.571) 4.571 5.344 ( 0.000 0.000 -1.221) 1.221 5.344 ( 0.000 0.000 1.221) 1.221 6.501 ( 0.000 0.000 -0.319) 0.319 6.501 ( 0.000 0.000 0.319) 0.319 6.651 ( 0.000 0.000 -0.178) 0.178 6.651 ( 0.000 0.000 0.178) 0.178 6.736 ( 0.000 0.000 -0.953) 0.953 6.736 ( 0.000 0.000 0.953) 0.953 7.182 ( 0.000 0.000 -2.024) 2.024 7.182 ( 0.000 0.000 2.024) 2.024 7.421 ( 0.000 0.000 -1.313) 1.313 7.421 ( 0.000 0.000 1.313) 1.313 7.513 ( 0.000 0.000 -1.940) 1.940 7.513 ( 0.000 0.000 1.940) 1.940 7.790 ( 0.000 0.000 -6.207) 6.207 7.790 ( 0.000 0.000 6.207) 6.207 9.018 ( 0.000 0.000 -7.266) 7.266 9.018 ( 0.000 0.000 7.266) 7.266 9.401 ( 0.000 0.000 -0.488) 0.488 9.401 ( 0.000 0.000 0.488) 0.488 9.698 ( 0.000 0.000 -1.599) 1.599 9.698 ( 0.000 0.000 1.599) 1.599 ======================= Grid point 352 (100/147) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 14.563 -2.558 -13.296) 19.886 0.906 ( 14.563 -2.558 13.296) 19.886 1.122 ( 18.660 -3.592 -15.431) 24.479 1.122 ( 18.660 -3.592 15.431) 24.479 1.723 ( 16.142 -1.960 -30.266) 34.357 1.723 ( 16.142 -1.960 30.266) 34.357 2.007 ( 3.473 -0.312 -5.028) 6.119 2.007 ( 3.473 -0.312 5.028) 6.119 2.238 ( 6.423 -0.180 -3.125) 7.146 2.238 ( 6.423 -0.180 3.125) 7.146 2.344 ( 3.749 0.649 -2.541) 4.575 2.344 ( 3.749 0.649 2.541) 4.575 2.560 ( 2.634 1.031 -4.067) 4.954 2.560 ( 2.634 1.031 4.067) 4.954 2.733 ( 4.004 0.510 -2.071) 4.537 2.733 ( 4.004 0.510 2.071) 4.537 3.140 ( -1.419 1.396 -3.341) 3.889 3.140 ( -1.419 1.396 3.341) 3.889 3.416 ( -2.027 0.264 -3.975) 4.469 3.416 ( -2.027 0.264 3.975) 4.469 3.530 ( -1.312 -1.172 -0.622) 1.865 3.530 ( -1.312 -1.172 0.622) 1.865 3.903 ( -3.287 -0.900 -2.688) 4.341 3.903 ( -3.287 -0.900 2.688) 4.341 3.949 ( -5.556 2.243 -4.403) 7.435 3.949 ( -5.556 2.243 4.403) 7.435 5.780 ( 34.263 1.137 -8.331) 35.280 5.780 ( 34.263 1.137 8.331) 35.280 6.412 ( -4.628 -2.215 -1.829) 5.447 6.412 ( -4.628 -2.215 1.829) 5.447 6.711 ( 1.191 1.230 -1.059) 2.013 6.711 ( 1.191 1.230 1.059) 2.013 6.816 ( 8.226 -1.745 -2.478) 8.766 6.816 ( 8.226 -1.745 2.478) 8.766 7.137 ( -3.100 1.114 -2.432) 4.095 7.137 ( -3.100 1.114 2.432) 4.095 7.379 ( -3.043 0.281 -2.617) 4.023 7.379 ( -3.043 0.281 2.617) 4.023 7.598 ( 6.512 -0.025 -1.834) 6.765 7.598 ( 6.512 -0.025 1.834) 6.765 7.761 ( -2.704 -0.626 -6.100) 6.702 7.761 ( -2.704 -0.626 6.100) 6.702 9.000 ( -1.668 0.753 -6.426) 6.681 9.000 ( -1.668 0.753 6.426) 6.681 9.266 ( -10.040 4.174 -5.920) 12.380 9.266 ( -10.040 4.174 5.920) 12.380 9.682 ( -2.411 -2.739 -2.079) 4.200 9.682 ( -2.411 -2.739 2.079) 4.200 ======================= Grid point 354 (101/147) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 17.625 -1.233 -4.991) 18.360 1.244 ( 17.625 -1.233 4.991) 18.360 1.432 ( 12.515 -3.090 -12.718) 18.108 1.432 ( 12.515 -3.090 12.718) 18.108 2.029 ( 3.819 2.877 -2.949) 5.618 2.029 ( 3.819 2.877 2.949) 5.618 2.207 ( 22.129 -3.486 -13.400) 26.104 2.207 ( 22.129 -3.486 13.400) 26.104 2.386 ( 7.936 -2.821 -2.401) 8.758 2.386 ( 7.936 -2.821 2.401) 8.758 2.467 ( 9.938 0.600 -2.883) 10.365 2.467 ( 9.938 0.600 2.883) 10.365 2.646 ( 6.894 1.776 -0.582) 7.143 2.646 ( 6.894 1.776 0.582) 7.143 2.843 ( 8.015 0.669 -3.262) 8.679 2.843 ( 8.015 0.669 3.262) 8.679 3.118 ( 0.041 0.882 -1.380) 1.638 3.118 ( 0.041 0.882 1.380) 1.638 3.372 ( -2.056 0.244 -3.395) 3.976 3.372 ( -2.056 0.244 3.395) 3.976 3.496 ( -2.851 -0.974 -1.503) 3.367 3.496 ( -2.851 -0.974 1.503) 3.367 3.783 ( -9.413 2.952 -3.648) 10.518 3.783 ( -9.413 2.952 3.648) 10.518 3.876 ( -0.590 -1.205 -2.342) 2.699 3.876 ( -0.590 -1.205 2.342) 2.699 6.207 ( 5.527 0.320 -0.910) 5.610 6.207 ( 5.527 0.320 0.910) 5.610 6.506 ( 12.119 0.212 -4.489) 12.925 6.506 ( 12.119 0.212 4.489) 12.925 6.739 ( 5.606 -0.359 -2.912) 6.327 6.739 ( 5.606 -0.359 2.912) 6.327 6.956 ( 3.770 0.449 -3.764) 5.346 6.956 ( 3.770 0.449 3.764) 5.346 7.105 ( 2.660 2.658 -2.842) 4.713 7.105 ( 2.660 2.658 2.842) 4.713 7.332 ( -0.985 -0.963 -3.129) 3.419 7.332 ( -0.985 -0.963 3.129) 3.419 7.627 ( -5.297 -0.602 -4.272) 6.832 7.627 ( -5.297 -0.602 4.272) 6.832 7.791 ( 6.603 -0.380 -3.154) 7.327 7.791 ( 6.603 -0.380 3.154) 7.327 8.944 ( -3.239 2.638 -1.445) 4.420 8.944 ( -3.239 2.638 1.445) 4.420 9.067 ( -7.266 2.953 -4.850) 9.222 9.067 ( -7.266 2.953 4.850) 9.222 9.641 ( -3.280 -3.091 -2.236) 5.031 9.641 ( -3.280 -3.091 2.236) 5.031 ======================= Grid point 356 (102/147) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 13.178 -0.373 -5.432) 14.259 1.549 ( 13.178 -0.373 5.432) 14.259 1.687 ( 12.582 -1.200 -2.499) 12.883 1.687 ( 12.582 -1.200 2.499) 12.883 2.064 ( 2.142 0.274 -1.710) 2.755 2.064 ( 2.142 0.274 1.710) 2.755 2.413 ( 5.957 5.485 -0.314) 8.104 2.413 ( 5.957 5.485 0.314) 8.104 2.583 ( 5.061 0.519 -3.052) 5.933 2.583 ( 5.061 0.519 3.052) 5.933 2.757 ( 12.702 -0.543 -6.636) 14.341 2.757 ( 12.702 -0.543 6.636) 14.341 2.808 ( 12.348 -3.183 -6.426) 14.279 2.808 ( 12.348 -3.183 6.426) 14.279 3.036 ( 10.138 -0.348 -3.130) 10.616 3.036 ( 10.138 -0.348 3.130) 10.616 3.137 ( 2.792 0.347 -0.966) 2.975 3.137 ( 2.792 0.347 0.966) 2.975 3.358 ( 1.667 0.041 -2.662) 3.141 3.358 ( 1.667 0.041 2.662) 3.141 3.432 ( -3.380 -0.143 -1.882) 3.872 3.432 ( -3.380 -0.143 1.882) 3.872 3.585 ( -8.876 -0.673 -2.941) 9.375 3.585 ( -8.876 -0.673 2.941) 9.375 3.883 ( 0.560 -0.343 -1.993) 2.098 3.883 ( 0.560 -0.343 1.993) 2.098 6.258 ( 2.133 -1.461 -1.008) 2.775 6.258 ( 2.133 -1.461 1.008) 2.775 6.558 ( -1.058 3.001 -3.352) 4.622 6.558 ( -1.058 3.001 3.352) 4.622 6.892 ( 1.248 -0.135 -6.838) 6.952 6.892 ( 1.248 -0.135 6.838) 6.952 6.994 ( 4.080 0.301 -1.575) 4.384 6.994 ( 4.080 0.301 1.575) 4.384 7.218 ( 9.334 4.238 -3.283) 10.763 7.218 ( 9.334 4.238 3.283) 10.763 7.368 ( 2.858 -0.751 -2.558) 3.908 7.368 ( 2.858 -0.751 2.558) 3.908 7.503 ( -6.312 -2.337 -3.610) 7.638 7.503 ( -6.312 -2.337 3.610) 7.638 7.917 ( 5.358 -0.235 -3.387) 6.344 7.917 ( 5.358 -0.235 3.387) 6.344 8.849 ( -3.711 5.915 -12.559) 14.370 8.849 ( -3.711 5.915 12.559) 14.370 8.957 ( -3.849 0.464 -7.949) 8.844 8.957 ( -3.849 0.464 7.949) 8.844 9.599 ( -2.764 -2.867 -1.697) 4.329 9.599 ( -2.764 -2.867 1.697) 4.329 ======================= Grid point 358 (103/147) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 9.365 -0.786 -6.848) 11.628 1.767 ( 9.365 -0.786 6.848) 11.628 1.885 ( 6.983 0.804 -1.784) 7.252 1.885 ( 6.983 0.804 1.784) 7.252 2.136 ( 5.549 -0.371 -1.233) 5.697 2.136 ( 5.549 -0.371 1.233) 5.697 2.479 ( 4.204 6.527 -1.333) 7.877 2.479 ( 4.204 6.527 1.333) 7.877 2.649 ( 3.375 2.097 -3.752) 5.465 2.649 ( 3.375 2.097 3.752) 5.465 2.852 ( 1.860 4.612 -6.616) 8.277 2.852 ( 1.860 4.612 6.616) 8.277 3.022 ( 1.147 0.996 -2.700) 3.098 3.022 ( 1.147 0.996 2.700) 3.098 3.074 ( 2.276 -1.314 -1.036) 2.825 3.074 ( 2.276 -1.314 1.036) 2.825 3.246 ( 2.785 -0.932 -1.547) 3.319 3.246 ( 2.785 -0.932 1.547) 3.319 3.328 ( -1.293 -0.526 -7.211) 7.345 3.328 ( -1.293 -0.526 7.211) 7.345 3.442 ( -3.747 -5.217 -5.349) 8.359 3.442 ( -3.747 -5.217 5.349) 8.359 3.626 ( 13.428 -4.570 -0.608) 14.197 3.626 ( 13.428 -4.570 0.608) 14.197 3.907 ( 2.921 0.347 -2.036) 3.577 3.907 ( 2.921 0.347 2.036) 3.577 6.306 ( 1.936 1.094 -1.249) 2.551 6.306 ( 1.936 1.094 1.249) 2.551 6.543 ( 2.219 2.281 -4.211) 5.278 6.543 ( 2.219 2.281 4.211) 5.278 6.864 ( -1.722 0.178 -6.058) 6.300 6.864 ( -1.722 0.178 6.058) 6.300 7.049 ( 0.992 1.544 -2.933) 3.460 7.049 ( 0.992 1.544 2.933) 3.460 7.286 ( -2.313 1.208 -3.121) 4.068 7.286 ( -2.313 1.208 3.121) 4.068 7.376 ( 0.475 -2.127 -1.375) 2.578 7.376 ( 0.475 -2.127 1.375) 2.578 7.534 ( 6.051 -0.136 -4.003) 7.256 7.534 ( 6.051 -0.136 4.003) 7.256 7.984 ( 1.123 -0.618 -4.652) 4.825 7.984 ( 1.123 -0.618 4.652) 4.825 8.746 ( -3.024 7.105 -15.863) 17.643 8.746 ( -3.024 7.105 15.863) 17.643 8.892 ( -3.163 -0.551 -12.489) 12.895 8.892 ( -3.163 -0.551 12.489) 12.895 9.567 ( -1.999 -2.172 -1.310) 3.230 9.567 ( -1.999 -2.172 1.310) 3.230 ======================= Grid point 360 (104/147) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 3.456 -0.736 -2.229) 4.178 1.903 ( 3.456 -0.736 2.229) 4.178 1.981 ( 4.945 -0.160 -2.178) 5.406 1.981 ( 4.945 -0.160 2.178) 5.406 2.256 ( 6.049 0.829 -1.083) 6.201 2.256 ( 6.049 0.829 1.083) 6.201 2.487 ( 0.254 7.244 -2.285) 7.600 2.487 ( 0.254 7.244 2.285) 7.600 2.696 ( 3.148 4.478 -1.623) 5.710 2.696 ( 3.148 4.478 1.623) 5.710 2.804 ( -2.567 2.082 -4.450) 5.543 2.804 ( -2.567 2.082 4.450) 5.543 2.987 ( 0.001 0.303 -1.210) 1.248 2.987 ( 0.001 0.303 1.210) 1.248 3.146 ( 0.994 -1.361 -2.941) 3.389 3.146 ( 0.994 -1.361 2.941) 3.389 3.211 ( -3.508 -0.763 -4.971) 6.132 3.211 ( -3.508 -0.763 4.971) 6.132 3.378 ( 2.088 -0.405 -2.864) 3.568 3.378 ( 2.088 -0.405 2.864) 3.568 3.435 ( 0.240 -7.059 -2.366) 7.449 3.435 ( 0.240 -7.059 2.366) 7.449 3.791 ( 1.897 0.869 -1.477) 2.557 3.791 ( 1.897 0.869 1.477) 2.557 4.072 ( 11.645 -3.333 -3.190) 12.525 4.072 ( 11.645 -3.333 3.190) 12.525 6.310 ( 0.108 2.957 -1.218) 3.200 6.310 ( 0.108 2.957 1.218) 3.200 6.627 ( 6.703 1.124 -3.273) 7.543 6.627 ( 6.703 1.124 3.273) 7.543 6.846 ( 0.092 0.477 -4.078) 4.106 6.846 ( 0.092 0.477 4.078) 4.106 7.005 ( -4.356 -0.284 -2.338) 4.952 7.005 ( -4.356 -0.284 2.338) 4.952 7.248 ( -0.945 1.153 -1.296) 1.975 7.248 ( -0.945 1.153 1.296) 1.975 7.393 ( 0.226 -2.059 -2.488) 3.237 7.393 ( 0.226 -2.059 2.488) 3.237 7.635 ( 4.459 1.049 -4.459) 6.393 7.635 ( 4.459 1.049 4.459) 6.393 7.967 ( -3.037 -0.810 -5.249) 6.118 7.967 ( -3.037 -0.810 5.249) 6.118 8.665 ( -1.444 5.771 -16.751) 17.776 8.665 ( -1.444 5.771 16.751) 17.776 8.838 ( -2.891 -1.129 -14.080) 14.418 8.838 ( -2.891 -1.129 14.080) 14.418 9.544 ( -1.398 -1.263 -1.201) 2.234 9.544 ( -1.398 -1.263 1.201) 2.234 ======================= Grid point 362 (105/147) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.379 -0.297 -0.561) 0.739 1.934 ( 0.379 -0.297 0.561) 0.739 2.066 ( 2.544 -0.528 -2.208) 3.410 2.066 ( 2.544 -0.528 2.208) 3.410 2.346 ( 3.803 0.255 -2.142) 4.372 2.346 ( 3.803 0.255 2.142) 4.372 2.420 ( -2.822 4.321 -2.846) 5.894 2.420 ( -2.822 4.321 2.846) 5.894 2.713 ( 0.748 1.745 -0.496) 1.962 2.713 ( 0.748 1.745 0.496) 1.962 2.787 ( 0.394 -0.048 -2.375) 2.408 2.787 ( 0.394 -0.048 2.375) 2.408 3.002 ( 0.966 0.047 -0.093) 0.971 3.002 ( 0.966 0.047 0.093) 0.971 3.133 ( -1.788 -0.467 -1.653) 2.479 3.133 ( -1.788 -0.467 1.653) 2.479 3.171 ( -0.827 -0.422 -2.569) 2.731 3.171 ( -0.827 -0.422 2.569) 2.731 3.398 ( 0.181 -0.819 -3.525) 3.623 3.398 ( 0.181 -0.819 3.525) 3.623 3.486 ( 0.991 -2.496 -0.879) 2.826 3.486 ( 0.991 -2.496 0.879) 2.826 3.791 ( -0.082 1.198 -1.250) 1.733 3.791 ( -0.082 1.198 1.250) 1.733 4.258 ( 4.867 -1.615 -4.099) 6.565 4.258 ( 4.867 -1.615 4.099) 6.565 6.296 ( -0.068 1.293 -0.917) 1.586 6.296 ( -0.068 1.293 0.917) 1.586 6.749 ( 5.548 1.423 -2.928) 6.433 6.749 ( 5.549 1.423 2.928) 6.433 6.851 ( -0.120 -0.283 -0.231) 0.384 6.851 ( -0.120 -0.283 0.231) 0.384 6.926 ( -3.366 -1.027 -4.142) 5.435 6.926 ( -3.366 -1.027 4.142) 5.435 7.213 ( -1.466 0.768 -1.261) 2.081 7.213 ( -1.466 0.768 1.261) 2.081 7.413 ( 0.603 -0.775 -2.582) 2.763 7.413 ( 0.603 -0.775 2.582) 2.763 7.703 ( 2.954 0.844 -3.584) 4.721 7.703 ( 2.954 0.844 3.584) 4.721 7.898 ( -3.484 -0.579 -5.158) 6.252 7.898 ( -3.484 -0.579 5.158) 6.252 8.630 ( -0.028 2.279 -16.722) 16.876 8.630 ( -0.028 2.279 16.722) 16.876 8.799 ( -1.485 -0.714 -14.398) 14.492 8.799 ( -1.485 -0.714 14.398) 14.492 9.529 ( -0.536 -0.400 -1.074) 1.265 9.529 ( -0.536 -0.400 1.074) 1.265 ======================= Grid point 378 (106/147) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 18.351 0.000 -4.547) 18.906 1.237 ( 18.351 0.000 4.547) 18.906 1.414 ( 13.151 0.000 -12.920) 18.436 1.414 ( 13.151 0.000 12.920) 18.436 2.048 ( 1.118 0.000 -2.653) 2.879 2.048 ( 1.118 0.000 2.653) 2.879 2.182 ( 28.060 0.000 -18.128) 33.406 2.182 ( 28.060 0.000 18.128) 33.406 2.372 ( 5.877 0.000 -0.841) 5.937 2.372 ( 5.877 0.000 0.841) 5.937 2.471 ( 9.343 0.000 -1.081) 9.405 2.471 ( 9.343 0.000 1.081) 9.405 2.656 ( 6.800 0.000 -0.792) 6.846 2.656 ( 6.800 0.000 0.792) 6.846 2.847 ( 7.884 0.000 -2.936) 8.414 2.847 ( 7.884 0.000 2.936) 8.414 3.123 ( -0.354 -0.000 -1.334) 1.380 3.123 ( -0.354 -0.000 1.334) 1.380 3.373 ( -2.126 -0.000 -3.543) 4.132 3.373 ( -2.126 -0.000 3.543) 4.132 3.491 ( -2.564 -0.000 -1.123) 2.799 3.491 ( -2.564 -0.000 1.123) 2.799 3.800 ( -9.994 -0.000 -3.501) 10.590 3.800 ( -9.994 -0.000 3.501) 10.590 3.869 ( -0.354 -0.000 -2.287) 2.314 3.869 ( -0.354 -0.000 2.287) 2.314 6.209 ( 3.832 0.000 -0.134) 3.835 6.209 ( 3.832 0.000 0.134) 3.835 6.507 ( 14.094 0.000 -5.777) 15.232 6.507 ( 14.094 0.000 5.777) 15.232 6.738 ( 5.287 0.000 -2.159) 5.710 6.738 ( 5.287 0.000 2.159) 5.710 6.959 ( 4.112 0.000 -4.012) 5.746 6.959 ( 4.112 0.000 4.012) 5.746 7.121 ( 3.368 0.000 -2.070) 3.953 7.121 ( 3.368 0.000 2.070) 3.953 7.327 ( -1.615 -0.000 -0.146) 1.622 7.327 ( -1.615 -0.000 0.146) 1.622 7.624 ( -5.559 -0.000 -4.325) 7.044 7.624 ( -5.559 -0.000 4.325) 7.044 7.789 ( 6.853 0.000 -3.583) 7.733 7.789 ( 6.853 0.000 3.583) 7.733 8.958 ( -2.838 -0.000 -2.557) 3.820 8.958 ( -2.838 -0.000 2.557) 3.820 9.086 ( -8.227 -0.000 -7.215) 10.943 9.086 ( -8.227 -0.000 7.215) 10.943 9.623 ( -2.921 -0.000 -2.334) 3.739 9.623 ( -2.921 -0.000 2.334) 3.739 ======================= Grid point 380 (107/147) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 13.028 -0.149 -7.241) 14.906 1.546 ( 13.028 -0.149 7.241) 14.906 1.678 ( 14.045 -0.356 -1.412) 14.120 1.678 ( 14.045 -0.356 1.412) 14.120 2.065 ( 1.338 -0.003 -1.945) 2.361 2.065 ( 1.338 -0.003 1.945) 2.361 2.462 ( 5.667 2.704 -0.136) 6.281 2.462 ( 5.667 2.704 0.136) 6.281 2.586 ( 6.271 0.160 -0.634) 6.305 2.586 ( 6.271 0.160 0.634) 6.305 2.724 ( 19.119 -2.790 -10.284) 21.888 2.724 ( 19.119 -2.790 10.284) 21.888 2.805 ( 7.881 0.604 -3.541) 8.661 2.805 ( 7.881 0.604 3.541) 8.661 3.033 ( 10.192 -0.075 -2.938) 10.607 3.033 ( 10.192 -0.075 2.938) 10.607 3.140 ( 2.525 0.212 -1.260) 2.830 3.140 ( 2.525 0.212 1.260) 2.830 3.358 ( 1.640 0.043 -1.993) 2.581 3.358 ( 1.640 0.043 1.993) 2.581 3.432 ( -3.008 0.010 -0.832) 3.121 3.432 ( -3.008 0.010 0.832) 3.121 3.580 ( -11.965 -0.285 -2.498) 12.226 3.580 ( -11.965 -0.285 2.498) 12.226 3.880 ( 1.111 -0.126 -2.123) 2.399 3.880 ( 1.111 -0.126 2.123) 2.399 6.246 ( 2.576 -0.598 -0.971) 2.817 6.246 ( 2.576 -0.598 0.971) 2.817 6.581 ( -1.057 1.038 -3.345) 3.659 6.581 ( -1.057 1.038 3.345) 3.659 6.891 ( 1.828 -0.083 -6.772) 7.015 6.891 ( 1.828 -0.083 6.772) 7.015 6.997 ( 4.039 0.131 -1.452) 4.294 6.997 ( 4.039 0.131 1.452) 4.294 7.261 ( 7.852 2.685 -4.425) 9.405 7.261 ( 7.852 2.685 4.425) 9.405 7.355 ( 4.892 -1.178 -1.490) 5.248 7.355 ( 4.892 -1.178 1.490) 5.248 7.484 ( -7.735 -0.975 -4.254) 8.881 7.484 ( -7.735 -0.975 4.254) 8.881 7.915 ( 5.286 -0.091 -3.579) 6.385 7.915 ( 5.286 -0.091 3.579) 6.385 8.894 ( -3.142 1.968 -7.653) 8.504 8.894 ( -3.142 1.968 7.653) 8.504 8.964 ( -4.692 0.533 -3.653) 5.970 8.964 ( -4.692 0.533 3.653) 5.970 9.574 ( -2.339 -1.235 -1.494) 3.038 9.574 ( -2.339 -1.235 1.494) 3.038 ======================= Grid point 382 (108/147) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 9.301 -0.477 -7.221) 11.785 1.760 ( 9.301 -0.477 7.221) 11.785 1.892 ( 6.912 0.537 -1.388) 7.071 1.892 ( 6.912 0.537 1.388) 7.071 2.132 ( 6.067 -0.278 -1.107) 6.173 2.132 ( 6.067 -0.278 1.107) 6.173 2.539 ( 3.956 3.990 -1.572) 5.835 2.539 ( 3.956 3.990 1.572) 5.835 2.663 ( 3.668 0.880 -2.769) 4.680 2.663 ( 3.668 0.880 2.769) 4.680 2.894 ( 2.699 2.576 -6.328) 7.346 2.894 ( 2.699 2.576 6.328) 7.346 3.012 ( 8.298 -2.136 -3.141) 9.126 3.012 ( 8.298 -2.136 3.141) 9.126 3.092 ( -2.721 3.894 -2.706) 5.467 3.092 ( -2.721 3.894 2.706) 5.467 3.242 ( 4.243 0.039 -1.740) 4.586 3.242 ( 4.243 0.039 1.740) 4.586 3.322 ( -3.297 -0.388 -7.341) 8.057 3.322 ( -3.297 -0.388 7.341) 8.057 3.379 ( -7.048 -5.709 -5.086) 10.399 3.379 ( -7.048 -5.709 5.086) 10.399 3.587 ( 14.626 -2.308 -0.797) 14.829 3.587 ( 14.626 -2.308 0.797) 14.829 3.911 ( 2.529 0.318 -2.094) 3.299 3.911 ( 2.529 0.318 2.094) 3.299 6.316 ( 3.649 0.600 -1.147) 3.872 6.316 ( 3.649 0.600 1.147) 3.872 6.563 ( 1.026 1.251 -4.429) 4.716 6.563 ( 1.026 1.251 4.429) 4.716 6.866 ( -1.621 0.139 -5.919) 6.138 6.866 ( -1.621 0.139 5.919) 6.138 7.063 ( 1.040 0.967 -2.695) 3.046 7.063 ( 1.040 0.967 2.695) 3.046 7.299 ( -3.750 1.133 -2.903) 4.876 7.299 ( -3.750 1.133 2.903) 4.876 7.353 ( 0.011 -1.749 -1.168) 2.103 7.353 ( 0.011 -1.749 1.168) 2.103 7.532 ( 7.439 -0.128 -4.079) 8.485 7.532 ( 7.439 -0.128 4.079) 8.485 7.979 ( 1.011 -0.344 -4.458) 4.585 7.979 ( 1.011 -0.344 4.458) 4.585 8.814 ( -3.238 4.722 -14.426) 15.521 8.814 ( -3.238 4.722 14.426) 15.521 8.885 ( -3.778 -0.760 -12.290) 12.880 8.885 ( -3.778 -0.760 12.290) 12.880 9.546 ( -1.474 -1.475 -0.748) 2.216 9.546 ( -1.474 -1.475 0.748) 2.216 ======================= Grid point 384 (109/147) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 3.752 -0.494 -2.091) 4.324 1.896 ( 3.752 -0.494 2.091) 4.324 1.980 ( 4.319 -0.118 -1.512) 4.578 1.980 ( 4.319 -0.118 1.512) 4.578 2.264 ( 6.390 0.664 -0.548) 6.448 2.264 ( 6.390 0.664 0.548) 6.448 2.561 ( 0.720 5.658 -0.884) 5.771 2.561 ( 0.720 5.658 0.884) 5.771 2.724 ( 2.564 0.994 -1.388) 3.080 2.724 ( 2.564 0.994 1.388) 3.080 2.851 ( -4.918 5.399 -3.842) 8.252 2.851 ( -4.918 5.399 3.842) 8.252 2.994 ( -0.822 1.196 -0.878) 1.696 2.994 ( -0.822 1.196 0.878) 1.696 3.128 ( 1.377 -1.528 -2.487) 3.227 3.128 ( 1.377 -1.528 2.487) 3.227 3.205 ( -2.973 -0.526 -5.701) 6.452 3.205 ( -2.973 -0.526 5.701) 6.452 3.325 ( -2.378 -8.437 -4.985) 10.084 3.325 ( -2.378 -8.437 4.985) 10.084 3.394 ( 4.807 -0.399 -4.853) 6.842 3.394 ( 4.807 -0.399 4.853) 6.842 3.809 ( 4.982 2.132 -2.315) 5.893 3.809 ( 4.982 2.132 2.315) 5.893 4.035 ( 10.505 -3.135 -2.447) 11.232 4.035 ( 10.505 -3.135 2.447) 11.232 6.341 ( -0.045 2.539 -1.671) 3.040 6.341 ( -0.045 2.539 1.671) 3.040 6.635 ( 6.433 0.340 -3.769) 7.464 6.635 ( 6.433 0.340 3.769) 7.464 6.852 ( 0.248 0.473 -3.846) 3.883 6.852 ( 0.248 0.473 3.846) 3.883 7.002 ( -5.612 -0.217 -2.062) 5.983 7.002 ( -5.612 -0.217 2.062) 5.983 7.259 ( -0.680 0.882 -0.968) 1.475 7.259 ( -0.680 0.882 0.968) 1.475 7.372 ( 0.805 -1.657 -2.370) 3.002 7.372 ( 0.805 -1.657 2.370) 3.002 7.645 ( 4.591 0.691 -4.341) 6.356 7.645 ( 4.591 0.691 4.341) 6.356 7.960 ( -3.003 -0.545 -4.700) 5.604 7.960 ( -3.003 -0.545 4.700) 5.604 8.725 ( -2.877 4.921 -15.693) 16.696 8.725 ( -2.877 4.921 15.693) 16.696 8.824 ( -3.041 -1.412 -14.283) 14.672 8.824 ( -3.041 -1.412 14.283) 14.672 9.531 ( -0.906 -1.077 -0.899) 1.670 9.531 ( -0.906 -1.077 0.899) 1.670 ======================= Grid point 386 (110/147) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 0.645 -0.246 -0.415) 0.805 1.930 ( 0.645 -0.246 0.415) 0.805 2.060 ( 2.830 -0.442 -1.778) 3.371 2.060 ( 2.830 -0.442 1.778) 3.371 2.350 ( 2.932 0.513 -1.010) 3.144 2.350 ( 2.932 0.513 1.010) 3.144 2.480 ( -5.214 6.173 -3.077) 8.646 2.480 ( -5.214 6.173 3.077) 8.646 2.725 ( -1.336 0.357 -0.763) 1.580 2.725 ( -1.336 0.357 0.763) 1.580 2.783 ( -0.656 -0.837 -1.268) 1.655 2.783 ( -0.656 -0.837 1.268) 1.655 3.003 ( 0.925 0.169 -0.177) 0.957 3.003 ( 0.925 0.169 0.177) 0.957 3.124 ( -1.338 -0.952 -4.244) 4.550 3.124 ( -1.338 -0.952 4.244) 4.550 3.174 ( -0.029 0.802 -4.821) 4.887 3.174 ( -0.029 0.802 4.821) 4.887 3.353 ( 0.015 -6.478 -3.600) 7.411 3.353 ( 0.015 -6.478 3.600) 7.411 3.470 ( 2.934 -0.313 -2.907) 4.142 3.470 ( 2.934 -0.313 2.907) 4.142 3.828 ( 0.626 4.717 -2.917) 5.581 3.828 ( 0.626 4.717 2.917) 5.581 4.234 ( 6.170 -2.683 -3.678) 7.668 4.234 ( 6.170 -2.683 3.678) 7.668 6.311 ( -1.378 1.409 -1.331) 2.378 6.311 ( -1.378 1.409 1.331) 2.378 6.753 ( 3.623 -0.674 -4.984) 6.199 6.753 ( 3.623 -0.674 4.984) 6.199 6.855 ( 0.441 0.945 -1.247) 1.626 6.855 ( 0.441 0.945 1.247) 1.626 6.917 ( -2.277 -0.497 -4.806) 5.342 6.917 ( -2.277 -0.497 4.806) 5.342 7.221 ( -2.189 0.602 -1.308) 2.620 7.221 ( -2.189 0.602 1.308) 2.620 7.406 ( 1.511 -0.540 -2.455) 2.933 7.406 ( 1.511 -0.540 2.455) 2.933 7.711 ( 2.368 0.691 -2.970) 3.861 7.711 ( 2.368 0.691 2.970) 3.861 7.891 ( -3.148 -0.546 -3.819) 4.979 7.891 ( -3.148 -0.546 3.819) 4.979 8.654 ( -2.594 1.913 -16.137) 16.456 8.654 ( -2.594 1.913 16.137) 16.456 8.792 ( -0.612 -0.459 -14.351) 14.371 8.792 ( -0.612 -0.459 14.351) 14.371 9.524 ( -0.125 -0.472 -0.992) 1.105 9.524 ( -0.125 -0.472 0.992) 1.105 ======================= Grid point 388 (111/147) ======================= q-point: (-0.54 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -0.064 0.264 -0.640) 0.695 1.937 ( -0.064 0.264 0.640) 0.695 2.071 ( -2.037 0.417 -2.347) 3.135 2.071 ( -2.037 0.417 2.347) 3.135 2.346 ( -5.506 0.227 -3.138) 6.341 2.346 ( -5.506 0.227 3.138) 6.341 2.386 ( 0.332 -1.814 -1.833) 2.601 2.386 ( 0.332 -1.814 1.833) 2.601 2.686 ( -3.629 -2.950 -0.059) 4.677 2.686 ( -3.629 -2.950 0.059) 4.677 2.786 ( 0.507 -0.212 -3.169) 3.217 2.786 ( 0.507 -0.212 3.169) 3.217 3.001 ( -1.120 -0.185 -0.426) 1.213 3.001 ( -1.120 -0.185 0.426) 1.213 3.133 ( 1.985 -0.255 -1.089) 2.279 3.133 ( 1.985 -0.255 1.089) 2.279 3.183 ( 1.532 1.688 -0.537) 2.342 3.183 ( 1.532 1.688 0.537) 2.342 3.380 ( -0.142 -3.191 -3.593) 4.808 3.380 ( -0.142 -3.191 3.593) 4.808 3.509 ( 1.136 1.144 -2.196) 2.724 3.509 ( 1.136 1.144 2.196) 2.724 3.808 ( 0.145 3.840 -2.233) 4.445 3.808 ( 0.145 3.840 2.233) 4.445 4.269 ( -3.440 0.277 -4.094) 5.355 4.269 ( -3.440 0.277 4.094) 5.355 6.284 ( -1.198 -0.889 -0.730) 1.661 6.284 ( -1.198 -0.889 0.730) 1.661 6.726 ( -5.608 -2.506 -1.772) 6.393 6.726 ( -5.608 -2.506 1.772) 6.393 6.857 ( -0.984 0.593 -0.531) 1.266 6.857 ( -0.984 0.593 0.531) 1.266 6.940 ( 4.170 1.511 -3.845) 5.870 6.940 ( 4.170 1.511 3.845) 5.870 7.204 ( 0.683 -0.780 -1.438) 1.773 7.204 ( 0.683 -0.780 1.438) 1.773 7.423 ( 0.287 0.872 -2.744) 2.894 7.423 ( 0.287 0.872 2.744) 2.894 7.693 ( -3.651 -0.832 -4.122) 5.569 7.693 ( -3.651 -0.832 4.122) 5.569 7.904 ( 3.912 0.478 -6.151) 7.306 7.904 ( 3.912 0.478 6.151) 7.306 8.605 ( -2.276 -2.078 -17.326) 17.598 8.605 ( -2.276 -2.078 17.326) 17.598 8.807 ( 2.038 0.780 -14.418) 14.582 8.807 ( 2.038 0.780 14.418) 14.582 9.533 ( 0.950 0.221 -1.164) 1.519 9.533 ( 0.950 0.221 1.164) 1.519 ======================= Grid point 390 (112/147) ======================= q-point: (-0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -3.025 0.848 -2.307) 3.898 1.912 ( -3.025 0.848 2.307) 3.898 1.983 ( -5.909 0.159 -2.553) 6.439 1.983 ( -5.909 0.159 2.553) 6.439 2.246 ( -5.540 -0.934 -1.625) 5.848 2.246 ( -5.540 -0.934 1.625) 5.848 2.409 ( -0.725 -6.445 -3.347) 7.298 2.409 ( -0.724 -6.445 3.347) 7.298 2.631 ( -4.237 -6.544 -1.750) 7.991 2.631 ( -4.237 -6.544 1.750) 7.991 2.801 ( 1.280 0.898 -5.285) 5.512 2.801 ( 1.280 0.898 5.285) 5.512 2.984 ( -0.235 -0.317 -2.093) 2.130 2.984 ( -0.235 -0.317 2.093) 2.130 3.155 ( -0.647 0.402 -3.228) 3.317 3.155 ( -0.647 0.402 3.228) 3.317 3.225 ( 3.737 1.630 -3.917) 5.654 3.225 ( 3.737 1.630 3.917) 5.654 3.374 ( -1.925 -0.682 -3.783) 4.299 3.374 ( -1.925 -0.682 3.783) 4.299 3.501 ( 0.109 4.223 -3.462) 5.461 3.501 ( 0.109 4.223 3.462) 5.461 3.795 ( -0.252 1.825 -1.098) 2.145 3.795 ( -0.252 1.825 1.098) 2.145 4.106 ( -11.685 2.818 -3.513) 12.523 4.106 ( -11.685 2.818 3.513) 12.523 6.279 ( -0.286 -2.507 -0.844) 2.661 6.279 ( -0.286 -2.507 0.844) 2.661 6.610 ( -6.863 -1.822 -2.800) 7.632 6.610 ( -6.863 -1.822 2.800) 7.632 6.842 ( -0.003 -0.308 -4.487) 4.498 6.842 ( -0.003 -0.308 4.487) 4.498 7.008 ( 2.923 0.303 -2.930) 4.149 7.008 ( 2.923 0.303 2.930) 4.149 7.234 ( 1.255 -1.232 -1.817) 2.529 7.234 ( 1.255 -1.232 1.817) 2.529 7.416 ( 0.185 1.917 -2.734) 3.344 7.416 ( 0.185 1.917 2.734) 3.344 7.623 ( -4.258 -1.195 -4.456) 6.278 7.623 ( -4.258 -1.195 4.456) 6.278 7.977 ( 3.101 0.913 -5.926) 6.751 7.977 ( 3.101 0.913 5.926) 6.751 8.601 ( -0.148 -5.549 -17.886) 18.727 8.601 ( -0.148 -5.549 17.886) 18.727 8.850 ( 2.679 0.948 -13.860) 14.148 8.850 ( 2.679 0.948 13.860) 14.148 9.557 ( 1.899 1.086 -1.468) 2.634 9.557 ( 1.899 1.086 1.468) 2.634 ======================= Grid point 392 (113/147) ======================= q-point: (-0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -9.679 0.753 -5.833) 11.326 1.776 ( -9.679 0.753 5.833) 11.326 1.876 ( -6.557 -0.594 -1.869) 6.844 1.876 ( -6.557 -0.594 1.869) 6.844 2.139 ( -5.201 0.307 -1.650) 5.465 2.139 ( -5.201 0.307 1.650) 5.465 2.403 ( -3.919 -6.795 -1.996) 8.094 2.403 ( -3.919 -6.795 1.996) 8.094 2.605 ( -2.692 -6.189 -2.931) 7.358 2.605 ( -2.692 -6.189 2.931) 7.358 2.811 ( -1.448 -1.904 -5.419) 5.924 2.811 ( -1.448 -1.904 5.419) 5.924 3.008 ( 1.310 -1.212 -2.787) 3.310 3.008 ( 1.310 -1.212 2.787) 3.310 3.097 ( -4.213 2.103 -0.468) 4.732 3.097 ( -4.213 2.103 0.468) 4.732 3.262 ( -1.671 1.921 -1.365) 2.889 3.262 ( -1.671 1.921 1.365) 2.889 3.333 ( 0.585 0.489 -6.705) 6.748 3.333 ( 0.585 0.489 6.705) 6.748 3.491 ( 0.717 3.464 -5.184) 6.276 3.491 ( 0.717 3.464 5.184) 6.276 3.684 ( -11.743 5.463 -0.338) 12.956 3.684 ( -11.743 5.463 0.338) 12.956 3.905 ( -3.784 0.177 -1.930) 4.251 3.905 ( -3.784 0.177 1.930) 4.251 6.292 ( 0.019 -1.349 -1.375) 1.926 6.292 ( 0.019 -1.349 1.375) 1.926 6.513 ( -3.680 -2.903 -3.865) 6.075 6.513 ( -3.680 -2.903 3.865) 6.075 6.862 ( 1.819 -0.103 -6.261) 6.520 6.862 ( 1.819 -0.103 6.261) 6.520 7.031 ( -1.134 -1.602 -3.157) 3.717 7.031 ( -1.134 -1.602 3.157) 3.717 7.273 ( 1.580 -1.145 -3.201) 3.749 7.273 ( 1.580 -1.145 3.201) 3.749 7.399 ( -1.705 1.935 -1.266) 2.873 7.399 ( -1.705 1.935 1.266) 2.873 7.535 ( -4.314 0.070 -3.797) 5.748 7.535 ( -4.314 0.070 3.797) 5.748 7.992 ( -1.315 0.757 -4.911) 5.140 7.992 ( -1.315 0.757 4.911) 5.140 8.662 ( 2.440 -7.799 -17.244) 19.082 8.662 ( 2.440 -7.799 17.244) 19.082 8.898 ( 2.745 0.457 -12.336) 12.646 8.898 ( 2.745 0.457 12.336) 12.646 9.592 ( 2.548 2.098 -1.727) 3.726 9.592 ( 2.548 2.098 1.727) 3.726 ======================= Grid point 394 (114/147) ======================= q-point: (-0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -13.037 0.557 -2.632) 13.311 1.554 ( -13.037 0.557 2.632) 13.311 1.705 ( -10.307 2.189 -3.662) 11.155 1.705 ( -10.307 2.189 3.662) 11.155 2.057 ( -3.570 -0.930 -1.706) 4.064 2.057 ( -3.570 -0.930 1.706) 4.064 2.349 ( -5.006 -5.802 -0.408) 7.674 2.349 ( -5.006 -5.802 0.408) 7.674 2.569 ( -4.233 -2.478 -4.145) 6.422 2.569 ( -4.233 -2.478 4.145) 6.422 2.738 ( -7.722 -2.320 -5.024) 9.499 2.738 ( -7.722 -2.320 5.024) 9.499 2.867 ( -13.396 5.727 -6.757) 16.059 2.867 ( -13.396 5.727 6.757) 16.059 3.042 ( -9.100 0.886 -3.757) 9.885 3.042 ( -9.100 0.886 3.757) 9.885 3.136 ( -4.921 0.573 -1.511) 5.179 3.136 ( -4.921 0.573 1.511) 5.179 3.358 ( -1.378 0.021 -3.001) 3.302 3.358 ( -1.378 0.021 3.001) 3.302 3.437 ( 2.580 0.755 -2.601) 3.741 3.437 ( 2.580 0.755 2.601) 3.741 3.593 ( 4.695 0.569 -3.380) 5.813 3.593 ( 4.695 0.569 3.380) 5.813 3.887 ( 0.243 0.478 -1.700) 1.783 3.887 ( 0.243 0.478 1.700) 1.783 6.276 ( -1.516 1.574 -1.086) 2.440 6.276 ( -1.516 1.574 1.086) 2.440 6.516 ( 0.892 -4.527 -3.258) 5.648 6.516 ( 0.892 -4.527 3.258) 5.648 6.893 ( -0.489 -0.013 -6.853) 6.871 6.893 ( -0.489 -0.013 6.853) 6.871 6.990 ( -3.507 -0.366 -1.802) 3.960 6.990 ( -3.507 -0.366 1.802) 3.960 7.175 ( -11.394 -3.289 -1.996) 12.026 7.175 ( -11.394 -3.289 1.996) 12.026 7.372 ( -1.047 0.183 -3.686) 3.836 7.372 ( -1.047 0.183 3.686) 3.836 7.530 ( 5.067 2.330 -3.046) 6.355 7.530 ( 5.067 2.330 3.046) 6.355 7.920 ( -5.493 0.313 -3.094) 6.312 7.920 ( -5.493 0.313 3.094) 6.312 8.770 ( 3.993 -7.933 -14.871) 17.321 8.770 ( 3.993 -7.933 14.871) 17.321 8.954 ( 3.287 -0.171 -9.320) 9.884 8.954 ( 3.287 -0.171 9.320) 9.884 9.633 ( 3.293 3.123 -1.935) 4.933 9.633 ( 3.293 3.123 1.935) 4.933 ======================= Grid point 396 (115/147) ======================= q-point: (-0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -15.539 2.813 -5.684) 16.783 1.266 ( -15.539 2.813 5.684) 16.783 1.479 ( -10.930 5.239 -11.889) 16.978 1.479 ( -10.930 5.239 11.889) 16.978 1.993 ( -5.662 -3.463 -2.118) 6.967 1.993 ( -5.662 -3.463 2.118) 6.967 2.236 ( -12.074 0.993 -4.594) 12.957 2.236 ( -12.074 0.993 4.594) 12.957 2.429 ( -10.154 2.152 -1.548) 10.494 2.429 ( -10.154 2.152 1.548) 10.494 2.474 ( -14.019 4.571 -9.082) 17.318 2.474 ( -14.019 4.571 9.082) 17.318 2.618 ( -7.496 -2.916 -0.179) 8.045 2.618 ( -7.496 -2.916 0.179) 8.045 2.833 ( -8.440 -1.063 -3.974) 9.389 2.833 ( -8.440 -1.063 3.974) 9.389 3.106 ( -0.743 -1.115 -2.211) 2.585 3.106 ( -0.743 -1.115 2.211) 2.585 3.368 ( 1.806 -0.340 -3.039) 3.551 3.368 ( 1.806 -0.340 3.039) 3.551 3.509 ( 3.536 1.205 -2.088) 4.280 3.509 ( 3.536 1.205 2.088) 4.280 3.737 ( 7.558 -5.191 -3.611) 9.854 3.737 ( 7.558 -5.191 3.611) 9.854 3.894 ( 1.244 1.857 -2.244) 3.167 3.894 ( 1.244 1.857 2.244) 3.167 6.201 ( -9.336 -0.748 -1.289) 9.454 6.201 ( -9.336 -0.748 1.289) 9.454 6.497 ( -7.861 -1.606 -1.495) 8.162 6.497 ( -7.861 -1.606 1.495) 8.162 6.748 ( -6.037 1.394 -4.357) 7.575 6.748 ( -6.037 1.394 4.357) 7.575 6.952 ( -2.813 -0.263 -2.863) 4.022 6.952 ( -2.813 -0.263 2.863) 4.022 7.067 ( -1.709 -3.983 -3.260) 5.423 7.067 ( -1.709 -3.983 3.260) 5.423 7.347 ( 0.236 1.546 -4.998) 5.237 7.347 ( 0.236 1.546 4.998) 5.237 7.636 ( 4.613 0.859 -4.348) 6.397 7.636 ( 4.613 0.859 4.348) 6.397 7.796 ( -6.024 0.553 -2.065) 6.392 7.796 ( -6.024 0.553 2.065) 6.392 8.894 ( 4.229 -6.345 -7.278) 10.541 8.894 ( 4.229 -6.345 7.278) 10.541 9.036 ( 5.219 -2.065 -1.958) 5.945 9.036 ( 5.219 -2.065 1.958) 5.945 9.683 ( 3.881 4.060 -2.064) 5.984 9.683 ( 3.881 4.060 2.064) 5.984 ======================= Grid point 398 (116/147) ======================= q-point: (-0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -11.666 7.234 -13.031) 18.927 0.961 ( -11.666 7.234 13.031) 18.927 1.193 ( -15.849 8.570 -14.122) 22.892 1.193 ( -15.849 8.570 14.122) 22.892 1.760 ( -14.524 4.233 -21.512) 26.299 1.760 ( -14.524 4.233 21.512) 26.299 2.016 ( -5.018 1.295 -6.536) 8.341 2.016 ( -5.018 1.295 6.536) 8.341 2.247 ( -7.069 1.788 -7.954) 10.790 2.247 ( -7.069 1.788 7.954) 10.790 2.329 ( -3.503 -2.009 -2.645) 4.828 2.329 ( -3.503 -2.009 2.645) 4.828 2.536 ( -2.915 -3.246 -4.123) 6.003 2.536 ( -2.915 -3.246 4.123) 6.003 2.723 ( -4.135 -1.414 -2.030) 4.818 2.723 ( -4.135 -1.414 2.030) 4.818 3.116 ( 0.609 -2.587 -2.262) 3.490 3.116 ( 0.609 -2.587 2.262) 3.490 3.410 ( 1.847 -0.815 -3.913) 4.403 3.410 ( 1.847 -0.815 3.913) 4.403 3.552 ( 1.975 2.475 -1.389) 3.458 3.552 ( 1.975 2.475 1.389) 3.458 3.895 ( 4.604 -6.031 -4.116) 8.632 3.895 ( 4.604 -6.031 4.116) 8.632 3.926 ( 3.614 1.808 -2.908) 4.979 3.926 ( 3.614 1.808 2.908) 4.979 5.761 ( -31.881 -1.970 -5.904) 32.483 5.761 ( -31.881 -1.970 5.904) 32.483 6.444 ( 4.271 2.441 -2.239) 5.405 6.444 ( 4.271 2.441 2.239) 5.405 6.703 ( -2.856 0.735 -2.231) 3.698 6.703 ( -2.856 0.735 2.231) 3.698 6.843 ( -5.495 2.813 -2.353) 6.606 6.843 ( -5.495 2.813 2.353) 6.606 7.112 ( 2.952 -3.287 -2.724) 5.190 7.112 ( 2.952 -3.287 2.724) 5.190 7.376 ( 2.659 0.008 -5.698) 6.288 7.376 ( 2.659 0.008 5.698) 6.288 7.599 ( -6.291 0.161 -1.241) 6.414 7.599 ( -6.291 0.161 1.241) 6.414 7.773 ( 2.622 1.280 -5.755) 6.452 7.773 ( 2.622 1.280 5.755) 6.452 8.980 ( 1.945 -3.034 -4.379) 5.671 8.980 ( 1.945 -3.034 4.379) 5.671 9.194 ( 7.657 -7.442 -6.515) 12.509 9.194 ( 7.657 -7.442 6.515) 12.509 9.729 ( 3.195 4.952 -1.810) 6.164 9.729 ( 3.195 4.952 1.810) 6.164 ======================= Grid point 400 (117/147) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 0.000 9.927 -17.657) 20.256 0.800 ( 0.000 9.927 17.657) 20.256 0.904 ( 0.000 9.288 -19.117) 21.254 0.904 ( 0.000 9.288 19.117) 21.254 1.598 ( 0.000 4.078 -33.085) 33.335 1.598 ( 0.000 4.078 33.085) 33.335 1.959 ( -0.000 -0.119 -7.154) 7.155 1.959 ( -0.000 -0.119 7.154) 7.155 2.178 ( 0.000 0.064 -5.529) 5.529 2.178 ( 0.000 0.064 5.529) 5.529 2.301 ( -0.000 -1.084 -2.652) 2.865 2.301 ( -0.000 -1.084 2.652) 2.865 2.531 ( -0.000 -2.464 -6.168) 6.642 2.531 ( -0.000 -2.464 6.168) 6.642 2.688 ( -0.000 -1.103 -0.472) 1.200 2.688 ( -0.000 -1.103 0.472) 1.200 3.144 ( -0.000 -3.273 -3.429) 4.740 3.144 ( -0.000 -3.273 3.429) 4.740 3.435 ( -0.000 -0.761 -4.635) 4.697 3.435 ( -0.000 -0.761 4.635) 4.697 3.556 ( 0.000 2.878 -1.149) 3.099 3.556 ( 0.000 2.878 1.149) 3.099 3.962 ( -0.000 -0.308 -1.988) 2.012 3.962 ( -0.000 -0.308 1.988) 2.012 3.986 ( -0.000 -3.436 -2.943) 4.524 3.986 ( -0.000 -3.436 2.943) 4.524 5.355 ( 0.000 1.918 -1.200) 2.262 5.355 ( 0.000 1.918 1.200) 2.262 6.545 ( 0.000 7.546 -5.242) 9.187 6.545 ( 0.000 7.546 5.242) 9.187 6.599 ( -0.000 -6.973 -1.602) 7.155 6.599 ( -0.000 -6.973 1.602) 7.155 6.775 ( 0.000 4.750 -1.477) 4.974 6.775 ( 0.000 4.750 1.477) 4.974 7.168 ( -0.000 -2.471 -2.240) 3.335 7.168 ( -0.000 -2.471 2.240) 3.335 7.416 ( -0.000 -0.567 -4.276) 4.313 7.416 ( -0.000 -0.567 4.276) 4.313 7.515 ( 0.000 0.326 -1.979) 2.005 7.515 ( 0.000 0.326 1.979) 2.005 7.796 ( 0.000 0.996 -6.234) 6.313 7.796 ( 0.000 0.996 6.234) 6.313 9.010 ( -0.000 -1.504 -6.768) 6.933 9.010 ( -0.000 -1.504 6.768) 6.933 9.338 ( -0.000 -9.563 -4.018) 10.373 9.338 ( -0.000 -9.563 4.018) 10.373 9.735 ( 0.000 5.305 -1.538) 5.523 9.735 ( 0.000 5.305 1.538) 5.523 ======================= Grid point 406 (118/147) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 9.306 0.000 -7.308) 11.833 1.757 ( 9.306 0.000 7.308) 11.833 1.895 ( 6.813 0.000 -1.189) 6.916 1.895 ( 6.813 0.000 1.189) 6.916 2.130 ( 6.320 0.000 -1.072) 6.410 2.130 ( 6.320 0.000 1.072) 6.410 2.562 ( 3.698 0.000 -2.104) 4.255 2.562 ( 3.698 0.000 2.104) 4.255 2.669 ( 3.729 0.000 -1.704) 4.100 2.669 ( 3.729 0.000 1.704) 4.100 2.908 ( 2.725 0.000 -5.782) 6.392 2.908 ( 2.725 0.000 5.782) 6.392 2.997 ( 9.474 0.000 -3.220) 10.006 2.997 ( 9.474 0.000 3.220) 10.006 3.122 ( -1.133 -0.000 -2.637) 2.870 3.122 ( -1.133 -0.000 2.637) 2.870 3.243 ( 6.014 0.000 -2.019) 6.343 3.243 ( 6.014 0.000 2.019) 6.343 3.320 ( -10.866 -0.000 -0.392) 10.873 3.320 ( -10.866 -0.000 0.392) 10.873 3.339 ( -4.044 -0.000 -4.022) 5.703 3.339 ( -4.044 -0.000 4.022) 5.703 3.574 ( 14.913 0.000 -0.743) 14.932 3.574 ( 14.913 0.000 0.743) 14.932 3.913 ( 2.418 0.000 -2.114) 3.212 3.913 ( 2.418 0.000 2.114) 3.212 6.319 ( 4.330 0.000 -1.107) 4.469 6.319 ( 4.330 0.000 1.107) 4.469 6.570 ( 0.569 0.000 -4.501) 4.536 6.570 ( 0.569 0.000 4.501) 4.536 6.867 ( -1.577 -0.000 -5.869) 6.077 6.867 ( -1.577 -0.000 5.869) 6.077 7.069 ( 1.111 0.000 -2.581) 2.810 7.069 ( 1.111 0.000 2.581) 2.810 7.307 ( -5.333 -0.000 -3.091) 6.164 7.307 ( -5.333 -0.000 3.091) 6.164 7.342 ( 0.781 0.000 -1.154) 1.394 7.342 ( 0.781 0.000 1.154) 1.394 7.531 ( 7.969 0.000 -4.099) 8.961 7.531 ( 7.969 0.000 4.099) 8.961 7.977 ( 0.976 0.000 -4.387) 4.494 7.977 ( 0.976 0.000 4.387) 4.494 8.843 ( -2.788 -0.000 -11.866) 12.189 8.843 ( -2.788 -0.000 11.866) 12.189 8.878 ( -4.567 -0.000 -9.940) 10.939 8.878 ( -4.567 -0.000 9.940) 10.939 9.537 ( -1.243 -0.000 -0.170) 1.254 9.537 ( -1.243 -0.000 0.170) 1.254 ======================= Grid point 408 (119/147) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 3.900 -0.174 -1.999) 4.386 1.892 ( 3.900 -0.174 1.999) 4.386 1.979 ( 4.027 -0.043 -0.827) 4.111 1.979 ( 4.027 -0.043 0.827) 4.111 2.269 ( 6.577 0.260 -0.234) 6.586 2.269 ( 6.577 0.260 0.234) 6.586 2.606 ( 1.521 2.051 -0.650) 2.635 2.606 ( 1.521 2.051 0.650) 2.635 2.730 ( 1.911 0.297 -0.286) 1.955 2.730 ( 1.911 0.297 0.286) 1.955 2.898 ( -5.527 2.242 -2.560) 6.490 2.898 ( -5.527 2.242 2.560) 6.490 3.017 ( -3.730 2.370 -0.614) 4.462 3.017 ( -3.730 2.370 0.614) 4.462 3.121 ( 2.249 0.565 -2.373) 3.318 3.121 ( 2.249 0.565 2.373) 3.318 3.185 ( -2.076 -3.588 -4.168) 5.879 3.185 ( -2.076 -3.588 4.168) 5.879 3.250 ( -2.503 -3.235 -6.053) 7.305 3.250 ( -2.503 -3.235 6.053) 7.305 3.393 ( 5.114 0.025 -4.538) 6.838 3.393 ( 5.114 0.025 4.538) 6.838 3.830 ( 7.844 1.207 -2.808) 8.419 3.830 ( 7.844 1.207 2.808) 8.419 4.007 ( 8.849 -1.472 -1.003) 9.026 4.007 ( 8.849 -1.472 1.003) 9.026 6.362 ( -0.123 1.033 -2.023) 2.275 6.362 ( -0.123 1.033 2.023) 2.275 6.637 ( 6.184 0.001 -4.112) 7.426 6.637 ( 6.184 0.001 4.112) 7.426 6.856 ( 0.394 0.201 -3.769) 3.795 6.856 ( 0.394 0.201 3.769) 3.795 7.000 ( -6.348 -0.083 -2.002) 6.657 7.000 ( -6.348 -0.083 2.002) 6.657 7.266 ( -0.539 0.356 -0.940) 1.140 7.266 ( -0.539 0.356 0.940) 1.140 7.359 ( 1.232 -0.661 -2.316) 2.705 7.359 ( 1.232 -0.661 2.316) 2.705 7.650 ( 4.663 0.238 -4.236) 6.304 7.650 ( 4.663 0.238 4.236) 6.304 7.956 ( -2.993 -0.190 -4.389) 5.316 7.956 ( -2.993 -0.190 4.389) 5.316 8.771 ( -4.144 3.193 -14.256) 15.186 8.771 ( -4.144 3.193 14.256) 15.186 8.806 ( -2.716 -1.876 -13.938) 14.324 8.806 ( -2.716 -1.876 13.938) 14.324 9.522 ( -0.582 -0.433 -0.629) 0.960 9.522 ( -0.582 -0.433 0.629) 0.960 ======================= Grid point 410 (120/147) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 0.818 -0.135 -0.257) 0.868 1.928 ( 0.818 -0.135 0.257) 0.868 2.056 ( 2.940 -0.243 -1.040) 3.128 2.056 ( 2.940 -0.243 1.040) 3.128 2.356 ( 2.491 0.377 -0.352) 2.543 2.356 ( 2.491 0.377 0.352) 2.543 2.550 ( -6.672 6.009 -2.339) 9.279 2.550 ( -6.672 6.009 2.339) 9.279 2.722 ( -2.491 -0.905 -0.947) 2.814 2.722 ( -2.491 -0.905 0.947) 2.814 2.768 ( -2.805 -1.625 -0.680) 3.312 2.768 ( -2.805 -1.625 0.680) 3.312 3.006 ( 0.666 0.323 -0.204) 0.768 3.006 ( 0.666 0.323 0.204) 0.768 3.116 ( -1.025 -0.369 -4.644) 4.770 3.116 ( -1.025 -0.369 4.644) 4.770 3.187 ( 1.239 1.643 -4.084) 4.573 3.187 ( 1.239 1.643 4.084) 4.573 3.277 ( 1.289 -6.361 -2.670) 7.018 3.277 ( 1.289 -6.361 2.670) 7.018 3.470 ( 3.034 0.103 -3.028) 4.288 3.470 ( 3.034 0.103 3.028) 4.288 3.881 ( 1.160 4.124 -4.623) 6.303 3.881 ( 1.160 4.124 4.623) 6.303 4.203 ( 7.275 -2.479 -2.884) 8.209 4.203 ( 7.275 -2.479 2.884) 8.209 6.325 ( -2.418 0.969 -1.780) 3.155 6.325 ( -2.418 0.969 1.780) 3.155 6.741 ( 1.652 -1.078 -5.950) 6.268 6.741 ( 1.652 -1.078 5.950) 6.268 6.867 ( 1.497 0.985 -1.286) 2.206 6.867 ( 1.497 0.985 1.286) 2.206 6.914 ( -1.475 -0.202 -5.684) 5.876 6.914 ( -1.475 -0.202 5.684) 5.876 7.226 ( -2.705 0.327 -1.449) 3.086 7.226 ( -2.705 0.327 1.449) 3.086 7.401 ( 2.208 -0.267 -2.396) 3.269 7.401 ( 2.208 -0.267 2.396) 3.269 7.718 ( 1.991 0.395 -2.321) 3.083 7.718 ( 1.991 0.395 2.321) 3.083 7.886 ( -2.952 -0.340 -2.115) 3.647 7.886 ( -2.952 -0.340 2.115) 3.647 8.670 ( -4.745 1.063 -15.749) 16.483 8.670 ( -4.745 1.063 15.749) 16.483 8.788 ( 0.303 -0.174 -14.322) 14.326 8.788 ( 0.303 -0.174 14.322) 14.326 9.520 ( 0.187 -0.328 -0.930) 1.003 9.520 ( 0.187 -0.328 0.930) 1.003 ======================= Grid point 412 (121/147) ======================= q-point: (-0.62 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.218 0.170 -0.636) 0.694 1.939 ( 0.218 0.170 0.636) 0.694 2.074 ( -1.473 0.183 -2.363) 2.791 2.074 ( -1.473 0.183 2.363) 2.791 2.347 ( -6.502 -0.176 -1.632) 6.706 2.347 ( -6.502 -0.176 1.632) 6.706 2.382 ( -2.994 1.013 -2.125) 3.808 2.382 ( -2.994 1.013 2.125) 3.808 2.651 ( -5.679 -3.274 -0.551) 6.579 2.651 ( -5.679 -3.274 0.551) 6.579 2.783 ( 1.994 -0.322 -3.650) 4.172 2.783 ( 1.994 -0.322 3.650) 4.172 2.998 ( -1.354 -0.300 -0.674) 1.542 2.998 ( -1.354 -0.300 0.674) 1.542 3.131 ( 2.197 -0.132 -1.358) 2.586 3.131 ( 2.197 -0.132 1.358) 2.586 3.205 ( 1.673 2.101 -1.169) 2.929 3.205 ( 1.673 2.101 1.169) 2.929 3.338 ( 1.548 -4.055 -2.997) 5.275 3.338 ( 1.548 -4.055 2.997) 5.275 3.514 ( 1.604 0.071 -2.440) 2.921 3.514 ( 1.604 0.071 2.440) 2.921 3.860 ( -0.310 4.850 -4.422) 6.571 3.860 ( -0.310 4.850 4.422) 6.571 4.266 ( -2.034 -0.615 -3.728) 4.291 4.266 ( -2.034 -0.615 3.728) 4.291 6.276 ( -2.192 -0.461 -0.784) 2.373 6.276 ( -2.192 -0.461 0.784) 2.373 6.699 ( -5.134 -2.073 -1.811) 5.826 6.699 ( -5.134 -2.073 1.811) 5.826 6.862 ( -1.852 0.299 -0.850) 2.060 6.862 ( -1.852 0.299 0.850) 2.060 6.957 ( 4.270 1.351 -4.202) 6.141 6.957 ( 4.270 1.351 4.202) 6.141 7.196 ( 0.006 -0.603 -1.776) 1.876 7.196 ( 0.006 -0.603 1.776) 1.876 7.432 ( 0.986 0.717 -2.874) 3.121 7.432 ( 0.986 0.717 2.874) 3.121 7.685 ( -4.299 -0.629 -4.568) 6.304 7.685 ( -4.299 -0.629 4.568) 6.304 7.908 ( 4.320 0.305 -6.828) 8.086 7.908 ( 4.320 0.305 6.828) 8.086 8.585 ( -3.966 -1.426 -17.802) 18.294 8.585 ( -3.966 -1.426 17.802) 18.294 8.815 ( 2.301 0.603 -14.408) 14.603 8.815 ( 2.301 0.603 14.408) 14.603 9.534 ( 1.288 0.070 -1.245) 1.793 9.534 ( 1.288 0.070 1.245) 1.793 ======================= Grid point 414 (122/147) ======================= q-point: (-0.54 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -2.519 0.769 -2.174) 3.415 1.921 ( -2.519 0.769 2.174) 3.415 1.985 ( -7.064 0.122 -2.435) 7.473 1.985 ( -7.064 0.122 2.435) 7.473 2.233 ( -4.753 -1.438 -1.549) 5.201 2.233 ( -4.753 -1.438 1.549) 5.201 2.352 ( -2.012 -3.616 -3.486) 5.410 2.352 ( -2.012 -3.616 3.486) 5.410 2.560 ( -5.770 -5.917 -1.718) 8.441 2.560 ( -5.770 -5.917 1.718) 8.441 2.816 ( 1.423 1.473 -6.054) 6.391 2.816 ( 1.423 1.473 6.054) 6.391 2.979 ( -0.365 -0.501 -2.254) 2.337 2.979 ( -0.365 -0.501 2.254) 2.337 3.158 ( -0.185 0.207 -3.286) 3.298 3.158 ( -0.185 0.207 3.286) 3.298 3.243 ( 3.465 1.497 -3.438) 5.105 3.243 ( 3.465 1.497 3.438) 5.105 3.365 ( -0.518 -0.912 -3.577) 3.728 3.365 ( -0.518 -0.912 3.577) 3.728 3.530 ( 0.372 1.216 -3.186) 3.430 3.530 ( 0.372 1.216 3.186) 3.430 3.827 ( -0.687 3.371 -3.195) 4.695 3.827 ( -0.687 3.371 3.195) 4.695 4.133 ( -10.862 1.967 -3.571) 11.603 4.133 ( -10.862 1.967 3.571) 11.603 6.255 ( -0.410 -1.641 -0.618) 1.801 6.255 ( -0.410 -1.641 0.618) 1.801 6.589 ( -6.984 -1.925 -2.465) 7.652 6.589 ( -6.984 -1.925 2.465) 7.652 6.840 ( 0.060 -0.131 -4.959) 4.961 6.840 ( 0.060 -0.131 4.959) 4.961 7.011 ( 1.650 0.277 -3.675) 4.038 7.011 ( 1.650 0.277 3.675) 4.038 7.221 ( 1.541 -1.082 -2.322) 2.989 7.221 ( 1.541 -1.082 2.322) 2.989 7.435 ( 0.219 1.387 -3.140) 3.439 7.435 ( 0.219 1.387 3.140) 3.439 7.610 ( -3.947 -1.029 -4.255) 5.895 7.610 ( -3.947 -1.029 4.255) 5.895 7.987 ( 3.182 0.799 -6.604) 7.374 7.987 ( 3.182 0.799 6.604) 7.374 8.545 ( -1.574 -4.311 -18.913) 19.462 8.545 ( -1.574 -4.311 18.913) 19.462 8.859 ( 2.480 0.716 -13.664) 13.906 8.859 ( 2.480 0.716 13.664) 13.906 9.568 ( 2.315 0.741 -1.686) 2.959 9.568 ( 2.315 0.741 1.686) 2.959 ======================= Grid point 416 (123/147) ======================= q-point: (-0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -10.237 0.358 -3.892) 10.958 1.783 ( -10.237 0.358 3.892) 10.958 1.873 ( -5.496 0.027 -1.268) 5.640 1.873 ( -5.496 0.027 1.268) 5.640 2.142 ( -5.144 0.243 -2.641) 5.788 2.142 ( -5.144 0.243 2.641) 5.788 2.334 ( -3.202 -5.281 -2.916) 6.830 2.334 ( -3.202 -5.281 2.916) 6.830 2.518 ( -2.697 -8.790 -3.064) 9.692 2.518 ( -2.697 -8.790 3.064) 9.692 2.810 ( -1.601 1.224 -5.112) 5.495 2.810 ( -1.601 1.224 5.112) 5.495 2.995 ( 0.854 -1.230 -2.606) 3.005 2.995 ( 0.854 -1.230 2.606) 3.005 3.117 ( -3.479 1.514 -0.680) 3.855 3.117 ( -3.479 1.514 0.680) 3.855 3.285 ( -0.615 1.859 -1.111) 2.251 3.285 ( -0.615 1.859 1.111) 2.251 3.339 ( 0.012 0.583 -5.689) 5.719 3.339 ( 0.012 0.583 5.689) 5.719 3.521 ( -0.383 2.103 -4.733) 5.193 3.521 ( -0.383 2.103 4.733) 5.193 3.739 ( -10.313 4.262 -1.108) 11.214 3.739 ( -10.313 4.262 1.108) 11.214 3.913 ( -5.360 1.235 -1.743) 5.770 3.913 ( -5.360 1.235 1.743) 5.770 6.278 ( 1.464 -1.256 -1.504) 2.446 6.278 ( 1.464 -1.256 1.504) 2.446 6.480 ( -4.895 -2.947 -3.485) 6.692 6.480 ( -4.895 -2.947 3.485) 6.692 6.862 ( 1.867 0.012 -6.495) 6.758 6.862 ( 1.867 0.012 6.495) 6.758 7.015 ( -1.391 -1.264 -3.339) 3.832 7.015 ( -1.391 -1.264 3.339) 3.832 7.261 ( 1.259 -0.995 -2.895) 3.310 7.261 ( 1.259 -0.995 2.895) 3.310 7.417 ( -2.632 1.320 -0.811) 3.054 7.417 ( -2.632 1.320 0.811) 3.054 7.536 ( -2.840 0.089 -3.329) 4.377 7.536 ( -2.840 0.089 3.329) 4.377 8.000 ( -1.557 0.720 -5.169) 5.446 8.000 ( -1.557 0.720 5.169) 5.446 8.579 ( 1.802 -6.874 -18.596) 19.907 8.579 ( 1.802 -6.874 18.596) 19.907 8.902 ( 2.417 0.368 -12.175) 12.418 8.902 ( 2.417 0.368 12.175) 12.418 9.613 ( 2.985 1.616 -2.049) 3.965 9.613 ( 2.985 1.616 2.049) 3.965 ======================= Grid point 418 (124/147) ======================= q-point: (-0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -12.249 0.844 -1.362) 12.353 1.562 ( -12.249 0.844 1.362) 12.353 1.735 ( -7.914 2.963 -4.226) 9.448 1.735 ( -7.914 2.963 4.226) 9.448 2.044 ( -5.123 -1.271 -2.567) 5.870 2.044 ( -5.123 -1.271 2.567) 5.870 2.287 ( -4.163 -5.212 -0.519) 6.690 2.287 ( -4.163 -5.212 0.519) 6.690 2.520 ( -2.795 -6.335 -2.054) 7.223 2.520 ( -2.795 -6.335 2.054) 7.223 2.725 ( -7.199 0.149 -3.183) 7.873 2.725 ( -7.199 0.149 3.183) 7.873 2.916 ( -9.951 2.542 -5.033) 11.438 2.916 ( -9.951 2.542 5.033) 11.438 3.055 ( -5.539 1.385 -4.241) 7.112 3.055 ( -5.539 1.385 4.241) 7.112 3.156 ( -9.274 3.131 -2.831) 10.190 3.156 ( -9.274 3.131 2.831) 10.190 3.357 ( -0.669 -0.129 -2.894) 2.973 3.357 ( -0.669 -0.129 2.894) 2.973 3.451 ( -0.026 1.776 -2.851) 3.359 3.451 ( -0.026 1.776 2.851) 3.359 3.596 ( 0.886 -0.021 -3.512) 3.622 3.596 ( 0.886 -0.021 3.512) 3.622 3.893 ( 0.940 0.499 -1.263) 1.651 3.893 ( 0.940 0.499 1.263) 1.651 6.291 ( -0.973 1.034 -1.248) 1.890 6.291 ( -0.973 1.034 1.248) 1.890 6.461 ( 0.384 -5.111 -2.952) 5.915 6.461 ( 0.384 -5.111 2.952) 5.915 6.892 ( -0.028 -0.174 -6.788) 6.790 6.892 ( -0.028 -0.174 6.788) 6.790 6.985 ( -2.138 -0.547 -1.923) 2.927 6.985 ( -2.138 -0.547 1.923) 2.927 7.148 ( -13.291 -1.587 -0.723) 13.405 7.148 ( -13.291 -1.587 0.723) 13.405 7.375 ( 0.075 0.388 -4.841) 4.857 7.375 ( 0.075 0.388 4.841) 4.857 7.552 ( 4.450 1.508 -2.682) 5.410 7.552 ( 4.450 1.508 2.682) 5.410 7.924 ( -5.628 0.361 -2.886) 6.335 7.924 ( -5.628 0.361 2.886) 6.335 8.680 ( 4.114 -7.885 -16.156) 18.442 8.680 ( 4.114 -7.885 16.156) 18.442 8.953 ( 2.982 -0.063 -9.619) 10.071 8.953 ( 2.982 -0.063 9.619) 10.071 9.665 ( 3.720 2.572 -2.181) 5.021 9.665 ( 3.720 2.572 2.181) 5.021 ======================= Grid point 420 (125/147) ======================= q-point: (-0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -12.707 3.999 -6.371) 14.767 1.305 ( -12.707 3.999 6.371) 14.767 1.546 ( -8.826 6.650 -10.139) 14.997 1.546 ( -8.826 6.650 10.139) 14.997 1.955 ( -6.048 -3.308 -2.127) 7.214 1.955 ( -6.048 -3.308 2.127) 7.214 2.226 ( -6.071 -2.677 -0.521) 6.655 2.226 ( -6.071 -2.677 0.521) 6.655 2.422 ( -10.784 -1.701 -3.697) 11.526 2.422 ( -10.784 -1.701 3.697) 11.526 2.553 ( -10.105 2.288 -5.753) 11.851 2.553 ( -10.105 2.288 5.753) 11.851 2.605 ( -14.351 5.629 -5.236) 16.280 2.605 ( -14.351 5.629 5.236) 16.280 2.823 ( -9.297 -0.559 -4.417) 10.308 2.823 ( -9.297 -0.559 4.417) 10.308 3.095 ( -1.087 -0.685 -3.944) 4.148 3.095 ( -1.087 -0.685 3.944) 4.148 3.364 ( 1.343 -0.410 -2.597) 2.952 3.364 ( 1.343 -0.410 2.597) 2.952 3.519 ( 4.263 0.365 -2.526) 4.968 3.519 ( 4.263 0.365 2.526) 4.968 3.672 ( 4.485 -6.185 -3.062) 8.231 3.672 ( 4.485 -6.185 3.062) 8.231 3.916 ( 2.084 1.950 -1.932) 3.446 3.916 ( 2.084 1.950 1.932) 3.446 6.192 ( -12.836 -0.825 -1.081) 12.908 6.192 ( -12.836 -0.825 1.081) 12.908 6.467 ( -4.394 -3.862 -1.071) 5.947 6.467 ( -4.394 -3.862 1.071) 5.947 6.771 ( -5.726 2.582 -4.776) 7.891 6.771 ( -5.726 2.582 4.776) 7.891 6.951 ( -1.751 0.067 -1.903) 2.587 6.951 ( -1.751 0.067 1.903) 2.587 7.022 ( -1.322 -3.795 -2.479) 4.721 7.022 ( -1.322 -3.795 2.479) 4.721 7.367 ( 0.351 2.140 -5.937) 6.320 7.367 ( 0.351 2.140 5.937) 6.320 7.645 ( 3.814 0.612 -4.703) 6.086 7.645 ( 3.814 0.612 4.703) 6.086 7.803 ( -5.471 0.570 -0.781) 5.556 7.803 ( -5.471 0.570 0.781) 5.556 8.812 ( 4.615 -7.900 -11.279) 14.523 8.812 ( 4.615 -7.900 11.279) 14.523 9.021 ( 3.987 -0.878 -5.118) 6.547 9.021 ( 3.987 -0.878 5.118) 6.547 9.726 ( 4.302 3.572 -2.017) 5.945 9.726 ( 4.302 3.572 2.017) 5.945 ======================= Grid point 422 (126/147) ======================= q-point: (-0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -7.953 9.380 -11.982) 17.170 1.057 ( -7.953 9.380 11.982) 17.170 1.302 ( -12.148 10.777 -12.162) 20.288 1.302 ( -12.148 10.777 12.162) 20.288 1.801 ( -10.268 2.539 -9.034) 13.910 1.801 ( -10.268 2.539 9.034) 13.910 2.035 ( -8.246 1.963 -6.951) 10.962 2.035 ( -8.246 1.963 6.951) 10.962 2.276 ( -6.571 0.310 -9.384) 11.461 2.276 ( -6.571 0.310 9.384) 11.461 2.311 ( -4.864 2.474 -4.792) 7.263 2.311 ( -4.864 2.474 4.792) 7.263 2.490 ( -3.592 -4.694 -4.494) 7.425 2.490 ( -3.592 -4.694 4.494) 7.425 2.703 ( -4.384 -1.911 -1.901) 5.146 2.703 ( -4.384 -1.911 1.901) 5.146 3.091 ( -0.037 -1.650 -2.892) 3.330 3.091 ( -0.037 -1.650 2.892) 3.330 3.399 ( 1.486 -1.165 -3.200) 3.715 3.399 ( 1.486 -1.165 3.200) 3.715 3.578 ( 2.512 1.871 -1.814) 3.620 3.578 ( 2.512 1.871 1.814) 3.620 3.805 ( 3.850 -9.533 -3.538) 10.873 3.805 ( 3.850 -9.533 3.538) 10.873 3.953 ( 3.187 2.673 -3.129) 5.204 3.953 ( 3.187 2.673 3.129) 5.204 5.743 ( -28.658 -1.056 -3.241) 28.860 5.743 ( -28.658 -1.056 3.241) 28.860 6.447 ( 1.804 -1.912 -0.651) 2.708 6.447 ( 1.804 -1.912 0.651) 2.708 6.736 ( -0.285 4.699 -5.002) 6.868 6.736 ( -0.285 4.699 5.002) 6.868 6.874 ( -4.110 2.656 -1.804) 5.216 6.874 ( -4.110 2.656 1.804) 5.216 7.068 ( 2.611 -4.382 -2.825) 5.831 7.068 ( 2.611 -4.382 2.825) 5.831 7.384 ( 2.292 1.411 -7.574) 8.039 7.384 ( 2.292 1.411 7.574) 8.039 7.602 ( -5.998 0.355 -0.731) 6.053 7.602 ( -5.998 0.355 0.731) 6.053 7.786 ( 2.443 0.959 -5.567) 6.155 7.786 ( 2.443 0.959 5.567) 6.155 8.927 ( 2.595 -6.561 -2.337) 7.433 8.927 ( 2.595 -6.561 2.337) 7.433 9.124 ( 5.021 -4.647 -2.841) 7.408 9.124 ( 5.021 -4.647 2.841) 7.408 9.783 ( 3.488 4.411 -1.604) 5.848 9.783 ( 3.488 4.411 1.604) 5.848 ======================= Grid point 424 (127/147) ======================= q-point: (-0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 12.636 -15.771) 20.209 0.932 ( 0.000 12.636 15.771) 20.209 1.043 ( 0.000 14.874 -15.186) 21.256 1.043 ( 0.000 14.874 15.186) 21.256 1.659 ( 0.000 6.420 -22.286) 23.192 1.659 ( 0.000 6.420 22.286) 23.192 1.957 ( -0.000 -0.375 -6.663) 6.674 1.957 ( -0.000 -0.375 6.663) 6.674 2.190 ( 0.000 2.537 -11.183) 11.467 2.190 ( 0.000 2.537 11.183) 11.467 2.282 ( -0.000 -2.199 -2.505) 3.334 2.282 ( -0.000 -2.199 2.505) 3.334 2.488 ( -0.000 -5.067 -6.914) 8.571 2.488 ( -0.000 -5.067 6.914) 8.571 2.671 ( -0.000 -1.926 -0.377) 1.962 2.671 ( -0.000 -1.926 0.377) 1.962 3.106 ( -0.000 -2.967 -2.166) 3.673 3.106 ( -0.000 -2.967 2.166) 3.673 3.423 ( -0.000 -1.385 -3.867) 4.108 3.423 ( -0.000 -1.385 3.867) 4.108 3.591 ( 0.000 2.904 -2.081) 3.572 3.591 ( 0.000 2.904 2.081) 3.572 3.899 ( -0.000 -8.891 -3.869) 9.696 3.899 ( -0.000 -8.891 3.869) 9.696 3.987 ( 0.000 1.640 -4.328) 4.628 3.987 ( 0.000 1.640 4.328) 4.628 5.384 ( 0.000 3.318 -1.133) 3.507 5.384 ( 0.000 3.318 1.133) 3.507 6.518 ( -0.000 -7.163 -2.090) 7.461 6.518 ( -0.000 -7.163 2.090) 7.461 6.653 ( 0.000 11.120 -8.620) 14.070 6.653 ( 0.000 11.120 8.620) 14.070 6.822 ( 0.000 3.371 -1.574) 3.720 6.822 ( 0.000 3.371 1.574) 3.720 7.128 ( -0.000 -4.524 -2.844) 5.343 7.128 ( -0.000 -4.524 2.844) 5.343 7.414 ( 0.000 0.458 -7.568) 7.582 7.414 ( 0.000 0.458 7.568) 7.582 7.520 ( 0.000 0.536 -2.075) 2.144 7.520 ( 0.000 0.536 2.075) 2.144 7.809 ( 0.000 1.033 -6.435) 6.517 7.809 ( 0.000 1.033 6.435) 6.517 8.980 ( -0.000 -4.222 -4.157) 5.925 8.980 ( -0.000 -4.222 4.157) 5.925 9.226 ( -0.000 -9.208 -5.850) 10.910 9.226 ( -0.000 -9.208 5.850) 10.910 9.795 ( 0.000 4.972 -1.719) 5.261 9.795 ( 0.000 4.972 1.719) 5.261 ======================= Grid point 434 (128/147) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 0.877 0.000 -0.172) 0.894 1.928 ( 0.877 0.000 0.172) 0.894 2.055 ( 2.965 0.000 -0.408) 2.993 2.055 ( 2.965 0.000 0.408) 2.993 2.358 ( 2.345 0.000 -0.106) 2.348 2.358 ( 2.345 0.000 0.106) 2.348 2.591 ( -7.015 -0.000 -1.484) 7.170 2.591 ( -7.015 -0.000 1.484) 7.170 2.711 ( -3.614 -0.000 -0.641) 3.670 2.711 ( -3.614 -0.000 0.641) 3.670 2.757 ( -3.249 -0.000 -0.448) 3.279 2.757 ( -3.249 -0.000 0.448) 3.279 3.008 ( 0.374 0.000 -0.213) 0.430 3.008 ( 0.374 0.000 0.213) 0.430 3.114 ( -1.101 -0.000 -4.382) 4.518 3.114 ( -1.101 -0.000 4.382) 4.518 3.207 ( 3.551 0.000 -0.673) 3.614 3.207 ( 3.551 0.000 0.673) 3.614 3.228 ( 0.551 0.000 -2.186) 2.255 3.228 ( 0.551 0.000 2.186) 2.255 3.471 ( 2.994 0.000 -2.969) 4.216 3.471 ( 2.994 0.000 2.969) 4.216 3.906 ( 1.221 0.000 -5.460) 5.595 3.906 ( 1.221 0.000 5.460) 5.595 4.187 ( 7.815 0.000 -2.337) 8.157 4.187 ( 7.815 0.000 2.337) 8.157 6.331 ( -2.825 -0.000 -1.984) 3.452 6.331 ( -2.825 -0.000 1.984) 3.452 6.735 ( 1.039 0.000 -6.192) 6.278 6.735 ( 1.039 0.000 6.192) 6.278 6.873 ( 1.779 0.000 -1.199) 2.146 6.873 ( 1.779 0.000 1.199) 2.146 6.913 ( -1.158 -0.000 -6.255) 6.362 6.913 ( -1.158 -0.000 6.255) 6.362 7.228 ( -2.894 -0.000 -1.518) 3.268 7.228 ( -2.894 -0.000 1.518) 3.268 7.400 ( 2.472 0.000 -2.382) 3.433 7.400 ( 2.472 0.000 2.382) 3.433 7.720 ( 1.862 0.000 -1.980) 2.718 7.720 ( 1.862 0.000 1.980) 2.718 7.884 ( -2.891 -0.000 -0.584) 2.949 7.884 ( -2.891 -0.000 0.584) 2.949 8.676 ( -5.602 -0.000 -15.629) 16.603 8.676 ( -5.602 -0.000 15.629) 16.603 8.788 ( 0.706 0.000 -14.321) 14.338 8.788 ( 0.706 0.000 14.321) 14.338 9.518 ( 0.306 0.000 -0.905) 0.955 9.518 ( 0.306 0.000 0.905) 0.955 ======================= Grid point 436 (129/147) ======================= q-point: (-0.69 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 0.381 0.057 -0.600) 0.713 1.940 ( 0.381 0.057 0.600) 0.713 2.075 ( -1.134 0.033 -2.327) 2.589 2.075 ( -1.134 0.033 2.327) 2.589 2.344 ( -6.347 -0.148 -0.286) 6.355 2.344 ( -6.347 -0.148 0.286) 6.355 2.397 ( -6.263 1.087 -3.530) 7.271 2.397 ( -6.263 1.087 3.530) 7.271 2.621 ( -6.232 -1.664 -0.776) 6.497 2.621 ( -6.232 -1.664 0.776) 6.497 2.780 ( 3.011 -0.164 -3.948) 4.968 2.780 ( 3.011 -0.164 3.948) 4.968 2.995 ( -1.505 -0.147 -0.767) 1.695 2.995 ( -1.505 -0.147 0.767) 1.695 3.130 ( 2.317 0.003 -1.705) 2.877 3.130 ( 2.317 0.003 1.705) 2.877 3.227 ( 0.886 1.583 -1.424) 2.306 3.227 ( 0.886 1.583 1.424) 2.306 3.299 ( 3.575 -2.428 -2.236) 4.866 3.299 ( 3.575 -2.428 2.236) 4.866 3.514 ( 1.583 -0.031 -2.377) 2.856 3.514 ( 1.583 -0.031 2.377) 2.856 3.901 ( -0.816 2.097 -5.822) 6.242 3.901 ( -0.816 2.097 5.822) 6.242 4.259 ( -1.037 -0.446 -3.279) 3.468 4.259 ( -1.037 -0.446 3.279) 3.468 6.273 ( -2.744 -0.133 -0.887) 2.887 6.273 ( -2.744 -0.133 0.887) 2.887 6.683 ( -4.815 -0.787 -1.982) 5.266 6.683 ( -4.815 -0.787 1.982) 5.266 6.864 ( -2.171 0.078 -1.145) 2.455 6.864 ( -2.171 0.078 1.145) 2.455 6.968 ( 4.124 0.533 -4.647) 6.236 6.968 ( 4.124 0.533 4.647) 6.236 7.192 ( -0.396 -0.232 -2.053) 2.104 7.192 ( -0.396 -0.232 2.053) 2.104 7.438 ( 1.373 0.282 -2.934) 3.251 7.438 ( 1.373 0.282 2.934) 3.251 7.680 ( -4.700 -0.238 -4.838) 6.749 7.680 ( -4.700 -0.238 4.838) 6.749 7.910 ( 4.571 0.104 -7.179) 8.511 7.910 ( 4.571 0.104 7.179) 8.511 8.574 ( -4.855 -0.505 -18.061) 18.709 8.574 ( -4.855 -0.505 18.061) 18.709 8.820 ( 2.390 0.227 -14.392) 14.591 8.820 ( 2.390 0.227 14.392) 14.591 9.535 ( 1.480 0.008 -1.295) 1.966 9.535 ( 1.480 0.008 1.295) 1.966 ======================= Grid point 438 (130/147) ======================= q-point: (-0.62 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -2.080 0.464 -1.757) 2.762 1.928 ( -2.080 0.464 1.757) 2.762 1.986 ( -8.051 0.066 -1.768) 8.244 1.986 ( -8.051 0.066 1.768) 8.244 2.215 ( -4.052 -1.477 -0.586) 4.352 2.215 ( -4.052 -1.477 0.586) 4.352 2.329 ( -3.204 -0.730 -2.678) 4.239 2.329 ( -3.204 -0.730 2.678) 4.239 2.505 ( -6.935 -3.766 -1.398) 8.015 2.505 ( -6.935 -3.766 1.398) 8.015 2.830 ( 1.964 1.053 -6.593) 6.960 2.830 ( 1.964 1.053 6.593) 6.960 2.974 ( -0.528 -0.448 -1.745) 1.877 2.974 ( -0.528 -0.448 1.745) 1.877 3.161 ( 0.134 0.231 -3.825) 3.834 3.161 ( 0.134 0.231 3.825) 3.834 3.256 ( 2.939 0.781 -3.293) 4.482 3.256 ( 2.939 0.781 3.293) 4.482 3.356 ( 0.999 -0.673 -2.810) 3.057 3.356 ( 0.999 -0.673 2.810) 3.057 3.536 ( 0.736 0.139 -3.000) 3.092 3.536 ( 0.736 0.139 3.000) 3.092 3.861 ( -1.909 2.374 -4.926) 5.791 3.861 ( -1.909 2.374 4.926) 5.791 4.150 ( -9.805 0.990 -3.498) 10.457 4.150 ( -9.805 0.990 3.498) 10.457 6.242 ( -0.446 -0.753 -0.544) 1.031 6.242 ( -0.446 -0.753 0.544) 1.031 6.571 ( -7.118 -1.247 -2.290) 7.581 6.571 ( -7.118 -1.247 2.290) 7.581 6.839 ( 0.124 -0.032 -5.324) 5.325 6.839 ( 0.124 -0.032 5.324) 5.325 7.014 ( 0.783 0.177 -4.294) 4.368 7.014 ( 0.783 0.177 4.294) 4.368 7.211 ( 1.747 -0.649 -2.692) 3.274 7.211 ( 1.747 -0.649 2.692) 3.274 7.446 ( -0.037 0.691 -3.585) 3.651 7.446 ( -0.037 0.691 3.585) 3.651 7.601 ( -3.579 -0.581 -3.958) 5.368 7.601 ( -3.579 -0.581 3.958) 5.368 7.994 ( 3.252 0.469 -7.124) 7.845 7.994 ( 3.252 0.469 7.124) 7.845 8.507 ( -2.549 -2.342 -19.633) 19.936 8.507 ( -2.549 -2.342 19.633) 19.936 8.865 ( 2.337 0.391 -13.527) 13.733 8.865 ( 2.337 0.391 13.527) 13.733 9.574 ( 2.592 0.364 -1.835) 3.196 9.574 ( 2.592 0.364 1.835) 3.196 ======================= Grid point 440 (131/147) ======================= q-point: (-0.54 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -10.564 -0.002 -1.844) 10.724 1.784 ( -10.564 -0.002 1.844) 10.724 1.876 ( -4.421 0.455 -1.009) 4.558 1.876 ( -4.421 0.455 1.009) 4.558 2.145 ( -4.976 0.167 -4.066) 6.428 2.145 ( -4.976 0.167 4.066) 6.428 2.290 ( -2.377 -2.308 -4.017) 5.207 2.290 ( -2.377 -2.308 4.017) 5.207 2.421 ( -4.007 -8.079 -3.406) 9.640 2.421 ( -4.007 -8.079 3.406) 9.640 2.830 ( -1.410 2.018 -5.765) 6.269 2.830 ( -1.410 2.018 5.765) 6.269 2.980 ( 0.070 -1.361 -1.842) 2.291 2.980 ( 0.070 -1.361 1.842) 2.291 3.131 ( -2.741 1.055 -1.329) 3.224 3.131 ( -2.741 1.055 1.329) 3.224 3.300 ( 0.426 0.854 -1.582) 1.847 3.300 ( 0.426 0.854 1.582) 1.847 3.347 ( -0.571 0.778 -3.740) 3.863 3.347 ( -0.571 0.778 3.740) 3.863 3.539 ( -0.219 1.085 -4.379) 4.517 3.539 ( -0.219 1.085 4.379) 4.517 3.775 ( -9.035 2.208 -1.877) 9.488 3.775 ( -9.035 2.208 1.877) 9.488 3.931 ( -7.266 1.798 -1.731) 7.682 3.931 ( -7.266 1.798 1.731) 7.682 6.266 ( 2.119 -0.845 -1.631) 2.805 6.266 ( 2.119 -0.845 1.631) 2.805 6.450 ( -5.583 -2.263 -3.193) 6.818 6.450 ( -5.583 -2.263 3.193) 6.818 6.862 ( 1.867 0.074 -6.713) 6.969 6.862 ( 1.867 0.074 6.713) 6.969 7.004 ( -1.625 -0.756 -3.490) 3.923 7.004 ( -1.625 -0.756 3.490) 3.923 7.251 ( 1.147 -0.696 -2.313) 2.674 7.251 ( 1.147 -0.696 2.313) 2.674 7.428 ( -2.825 0.583 -0.211) 2.892 7.428 ( -2.825 0.583 0.211) 2.892 7.537 ( -2.054 0.175 -2.586) 3.307 7.537 ( -2.054 0.175 2.586) 3.307 8.007 ( -1.783 0.512 -5.370) 5.682 8.007 ( -1.783 0.512 5.370) 5.682 8.513 ( 1.263 -4.665 -19.687) 20.271 8.513 ( 1.263 -4.665 19.687) 20.271 8.906 ( 2.175 0.242 -12.051) 12.248 8.906 ( 2.175 0.242 12.051) 12.248 9.627 ( 3.275 0.989 -2.285) 4.114 9.627 ( 3.275 0.989 2.285) 4.114 ======================= Grid point 442 (132/147) ======================= q-point: (-0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -11.061 1.051 -2.735) 11.443 1.573 ( -11.061 1.051 2.735) 11.443 1.769 ( -5.695 3.005 -3.798) 7.476 1.769 ( -5.695 3.005 3.798) 7.476 2.033 ( -6.179 -0.503 -3.854) 7.300 2.033 ( -6.179 -0.503 3.854) 7.300 2.234 ( -4.548 -4.329 -0.520) 6.300 2.234 ( -4.548 -4.329 0.520) 6.300 2.437 ( -0.823 -7.888 -3.649) 8.730 2.437 ( -0.823 -7.888 3.649) 8.730 2.738 ( -7.603 1.932 -2.646) 8.279 2.738 ( -7.603 1.932 2.646) 8.279 2.925 ( -7.920 -0.553 -3.310) 8.602 2.925 ( -7.920 -0.553 3.310) 8.602 3.070 ( -2.887 1.090 -3.421) 4.607 3.070 ( -2.887 1.090 3.421) 4.607 3.203 ( -9.871 4.882 -3.047) 11.426 3.203 ( -9.871 4.882 3.047) 11.426 3.353 ( -0.221 -0.633 -2.512) 2.600 3.353 ( -0.221 -0.633 2.512) 2.600 3.476 ( -3.505 2.762 -2.780) 5.258 3.476 ( -3.505 2.762 2.780) 5.258 3.592 ( -2.147 -0.838 -3.316) 4.039 3.592 ( -2.147 -0.838 3.316) 4.039 3.898 ( 1.345 0.392 -0.788) 1.608 3.898 ( 1.345 0.392 0.788) 1.608 6.298 ( -0.420 0.254 -1.673) 1.744 6.298 ( -0.420 0.254 1.673) 1.744 6.407 ( -0.528 -4.307 -2.380) 4.949 6.407 ( -0.528 -4.307 2.380) 4.949 6.889 ( 0.070 -0.195 -6.734) 6.737 6.889 ( 0.070 -0.195 6.734) 6.737 6.978 ( -1.060 -0.677 -1.750) 2.156 6.978 ( -1.060 -0.677 1.750) 2.156 7.138 ( -13.946 -0.308 -0.539) 13.960 7.138 ( -13.946 -0.308 0.539) 13.960 7.382 ( 0.835 0.809 -5.702) 5.819 7.382 ( 0.835 0.809 5.702) 5.819 7.564 ( 4.079 0.580 -2.253) 4.696 7.564 ( 4.079 0.580 2.253) 4.696 7.928 ( -5.672 0.378 -2.942) 6.401 7.928 ( -5.672 0.378 2.942) 6.401 8.600 ( 4.159 -6.296 -17.165) 18.751 8.600 ( 4.159 -6.296 17.165) 18.751 8.952 ( 2.794 -0.026 -9.673) 10.069 8.952 ( 2.794 -0.026 9.673) 10.069 9.689 ( 4.005 1.742 -2.419) 4.992 9.689 ( 4.005 1.742 2.419) 4.992 ======================= Grid point 444 (133/147) ======================= q-point: (-0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -10.211 4.025 -7.235) 13.146 1.351 ( -10.211 4.025 7.235) 13.146 1.625 ( -6.295 7.429 -7.600) 12.352 1.625 ( -6.295 7.429 7.600) 12.352 1.922 ( -6.171 -2.371 -2.885) 7.212 1.922 ( -6.171 -2.371 2.885) 7.212 2.180 ( -4.301 -5.360 -2.033) 7.166 2.180 ( -4.301 -5.360 2.033) 7.166 2.401 ( -9.237 -2.021 -2.966) 9.910 2.401 ( -9.237 -2.021 2.966) 9.910 2.528 ( -10.398 -3.160 -1.515) 10.973 2.528 ( -10.398 -3.160 1.515) 10.973 2.707 ( -13.437 7.089 -5.968) 16.322 2.707 ( -13.437 7.089 5.968) 16.322 2.839 ( -11.535 5.227 -4.805) 13.545 2.839 ( -11.535 5.227 4.805) 13.545 3.092 ( -1.128 0.060 -6.046) 6.151 3.092 ( -1.128 0.060 6.046) 6.151 3.357 ( 0.585 -1.015 -2.431) 2.699 3.357 ( 0.585 -1.015 2.431) 2.699 3.510 ( 4.127 -2.515 -2.602) 5.489 3.510 ( 4.127 -2.515 2.602) 5.489 3.610 ( 1.388 -4.314 -1.982) 4.946 3.610 ( 1.388 -4.314 1.982) 4.946 3.936 ( 2.864 1.636 -1.513) 3.628 3.936 ( 2.864 1.636 1.513) 3.628 6.185 ( -14.890 -0.246 -0.639) 14.905 6.185 ( -14.890 -0.246 0.639) 14.905 6.415 ( -2.440 -5.181 -2.228) 6.145 6.415 ( -2.440 -5.181 2.228) 6.145 6.801 ( -5.128 2.436 -4.038) 6.967 6.801 ( -5.128 2.436 4.038) 6.967 6.947 ( -2.037 -1.101 -3.039) 3.820 6.947 ( -2.037 -1.101 3.039) 3.820 6.991 ( -0.263 -1.320 -0.778) 1.554 6.991 ( -0.263 -1.320 0.778) 1.554 7.394 ( 1.201 2.740 -6.521) 7.175 7.394 ( 1.201 2.740 6.521) 7.175 7.648 ( 3.171 -0.082 -5.019) 5.937 7.648 ( 3.171 -0.082 5.019) 5.937 7.809 ( -5.178 0.610 -0.986) 5.306 7.809 ( -5.178 0.610 0.986) 5.306 8.726 ( 4.638 -7.146 -12.876) 15.439 8.726 ( 4.638 -7.146 12.876) 15.439 9.014 ( 3.491 -0.417 -6.285) 7.202 9.014 ( 3.491 -0.417 6.285) 7.202 9.761 ( 4.551 2.597 -2.133) 5.657 9.761 ( 4.551 2.597 2.133) 5.657 ======================= Grid point 446 (134/147) ======================= q-point: (-0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -5.592 8.116 -11.667) 15.273 1.157 ( -5.592 8.116 11.667) 15.273 1.430 ( -8.644 12.143 -9.422) 17.634 1.430 ( -8.644 12.143 9.422) 17.634 1.813 ( -6.125 -0.237 -3.348) 6.984 1.813 ( -6.125 -0.237 3.348) 6.984 2.050 ( -10.101 0.366 -4.239) 10.960 2.050 ( -10.101 0.366 4.239) 10.960 2.233 ( -3.761 -5.471 -4.044) 7.774 2.233 ( -3.761 -5.471 4.044) 7.774 2.382 ( -10.010 2.453 -7.843) 12.951 2.382 ( -10.010 2.453 7.843) 12.951 2.462 ( -3.220 4.682 -8.773) 10.452 2.462 ( -3.220 4.682 8.773) 10.452 2.684 ( -4.913 -1.134 -1.839) 5.367 2.684 ( -4.913 -1.134 1.839) 5.367 3.080 ( -0.217 -0.280 -5.270) 5.282 3.080 ( -0.217 -0.280 5.270) 5.282 3.383 ( 1.003 -1.828 -2.407) 3.184 3.383 ( 1.003 -1.828 2.407) 3.184 3.587 ( 2.315 -0.794 -1.380) 2.809 3.587 ( 2.315 -0.794 1.380) 2.809 3.694 ( 2.889 -9.593 -2.150) 10.247 3.694 ( 2.889 -9.593 2.150) 10.247 3.982 ( 2.967 2.457 -2.586) 4.640 3.982 ( 2.967 2.457 2.586) 4.640 5.738 ( -25.726 0.117 -1.419) 25.765 5.738 ( -25.726 0.117 1.419) 25.765 6.413 ( -0.007 -3.599 -2.333) 4.289 6.413 ( -0.007 -3.599 2.333) 4.289 6.785 ( 2.261 3.435 -4.066) 5.783 6.785 ( 2.261 3.435 4.066) 5.783 6.899 ( -3.256 1.457 -2.587) 4.406 6.899 ( -3.256 1.457 2.587) 4.406 7.026 ( 2.332 -2.461 -1.445) 3.685 7.026 ( 2.332 -2.461 1.445) 3.685 7.409 ( 2.178 3.057 -7.961) 8.801 7.409 ( 2.178 3.057 7.961) 8.801 7.607 ( -5.669 0.457 -1.291) 5.832 7.607 ( -5.669 0.457 1.291) 5.832 7.792 ( 2.084 0.115 -5.649) 6.022 7.792 ( 2.084 0.115 5.649) 6.022 8.844 ( 2.871 -7.761 -7.208) 10.974 8.844 ( 2.871 -7.761 7.208) 10.974 9.090 ( 3.455 -1.930 -1.445) 4.213 9.090 ( 3.455 -1.930 1.445) 4.213 9.826 ( 3.499 3.312 -1.548) 5.061 9.826 ( 3.499 3.312 1.548) 5.061 ======================= Grid point 448 (135/147) ======================= q-point: (-0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.000 10.180 -15.143) 18.247 1.062 ( 0.000 10.180 15.143) 18.247 1.221 ( 0.000 16.673 -11.085) 20.022 1.221 ( 0.000 16.673 11.085) 20.022 1.725 ( 0.000 4.817 -9.535) 10.683 1.725 ( 0.000 4.817 9.535) 10.683 1.950 ( -0.000 -0.823 -5.880) 5.937 1.950 ( -0.000 -0.823 5.880) 5.937 2.236 ( 0.000 4.517 -15.404) 16.052 2.236 ( 0.000 4.517 15.404) 16.052 2.251 ( -0.000 -3.373 -2.179) 4.016 2.251 ( -0.000 -3.373 2.179) 4.016 2.434 ( -0.000 -2.806 -8.887) 9.319 2.434 ( -0.000 -2.806 8.887) 9.319 2.647 ( -0.000 -2.232 -0.498) 2.287 2.647 ( -0.000 -2.232 0.498) 2.287 3.083 ( -0.000 -1.122 -4.084) 4.235 3.083 ( -0.000 -1.122 4.084) 4.235 3.405 ( -0.000 -1.828 -2.630) 3.203 3.405 ( -0.000 -1.828 2.630) 3.203 3.612 ( 0.000 0.430 -1.533) 1.593 3.612 ( 0.000 0.430 1.533) 1.593 3.786 ( -0.000 -10.734 -3.321) 11.236 3.786 ( -0.000 -10.734 3.321) 11.236 4.007 ( 0.000 1.907 -3.875) 4.319 4.007 ( 0.000 1.907 3.875) 4.319 5.425 ( 0.000 3.789 -1.023) 3.924 5.425 ( 0.000 3.789 1.023) 3.924 6.445 ( -0.000 -5.770 -2.581) 6.321 6.445 ( -0.000 -5.770 2.581) 6.321 6.773 ( 0.000 9.450 -9.259) 13.230 6.773 ( 0.000 9.450 9.259) 13.230 6.849 ( 0.000 1.529 -1.635) 2.239 6.849 ( 0.000 1.529 1.635) 2.239 7.076 ( -0.000 -4.281 -2.432) 4.923 7.076 ( -0.000 -4.281 2.432) 4.923 7.430 ( 0.000 2.350 -9.330) 9.622 7.430 ( 0.000 2.350 9.330) 9.622 7.526 ( 0.000 0.572 -2.185) 2.258 7.526 ( 0.000 0.572 2.185) 2.258 7.816 ( 0.000 0.233 -6.842) 6.846 7.816 ( 0.000 0.233 6.842) 6.846 8.914 ( -0.000 -7.317 -2.451) 7.716 8.914 ( -0.000 -7.317 2.451) 7.716 9.149 ( -0.000 -4.698 -2.521) 5.332 9.149 ( -0.000 -4.698 2.521) 5.332 9.843 ( 0.000 3.776 -1.477) 4.055 9.843 ( 0.000 3.776 1.477) 4.055 ======================= Grid point 462 (136/147) ======================= q-point: (-0.69 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -1.904 -0.000 -1.435) 2.384 1.931 ( -1.904 -0.000 1.435) 2.384 1.986 ( -8.443 -0.000 -1.162) 8.523 1.986 ( -8.443 -0.000 1.162) 8.523 2.206 ( -3.890 -0.000 -0.458) 3.917 2.206 ( -3.890 -0.000 0.458) 3.917 2.327 ( -3.510 -0.000 -2.438) 4.274 2.327 ( -3.510 -0.000 2.438) 4.274 2.483 ( -7.412 -0.000 -1.127) 7.497 2.483 ( -7.412 -0.000 1.127) 7.497 2.837 ( 2.251 0.000 -6.808) 7.171 2.837 ( 2.251 0.000 6.808) 7.171 2.971 ( -0.630 -0.000 -1.288) 1.434 2.971 ( -0.630 -0.000 1.288) 1.434 3.162 ( 0.246 0.000 -4.198) 4.206 3.162 ( 0.246 0.000 4.198) 4.206 3.260 ( 2.626 0.000 -3.247) 4.176 3.260 ( 2.626 0.000 3.247) 4.176 3.352 ( 1.703 0.000 -2.300) 2.862 3.352 ( 1.703 0.000 2.300) 2.862 3.536 ( 0.855 0.000 -2.956) 3.077 3.536 ( 0.855 0.000 2.956) 3.077 3.874 ( -2.488 -0.000 -5.534) 6.068 3.874 ( -2.488 -0.000 5.534) 6.068 4.155 ( -9.317 -0.000 -3.445) 9.933 4.155 ( -9.317 -0.000 3.445) 9.933 6.238 ( -0.443 -0.000 -0.539) 0.698 6.238 ( -0.443 -0.000 0.539) 0.698 6.563 ( -7.186 -0.000 -2.241) 7.527 6.563 ( -7.186 -0.000 2.241) 7.527 6.839 ( 0.155 0.000 -5.460) 5.462 6.839 ( 0.155 0.000 5.460) 5.462 7.015 ( 0.476 0.000 -4.535) 4.560 7.015 ( 0.476 0.000 4.535) 4.560 7.207 ( 1.824 0.000 -2.831) 3.367 7.207 ( 1.824 0.000 2.831) 3.367 7.450 ( -0.203 -0.000 -3.788) 3.794 7.450 ( -0.203 -0.000 3.788) 3.794 7.598 ( -3.399 -0.000 -3.814) 5.109 7.598 ( -3.399 -0.000 3.814) 5.109 7.997 ( 3.280 0.000 -7.323) 8.024 7.997 ( 3.280 0.000 7.323) 8.024 8.494 ( -2.894 -0.000 -19.893) 20.102 8.494 ( -2.894 -0.000 19.893) 20.102 8.868 ( 2.284 0.000 -13.478) 13.670 8.868 ( 2.284 0.000 13.478) 13.670 9.576 ( 2.689 0.000 -1.888) 3.286 9.576 ( 2.689 0.000 1.888) 3.286 ======================= Grid point 466 (137/147) ======================= q-point: (-0.62 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -10.543 -0.047 -0.831) 10.576 1.784 ( -10.543 -0.047 0.831) 10.576 1.881 ( -3.878 0.255 -1.204) 4.068 1.881 ( -3.878 0.255 1.204) 4.068 2.146 ( -4.423 0.015 -5.148) 6.788 2.146 ( -4.423 0.015 5.148) 6.788 2.284 ( -0.819 0.855 -5.950) 6.067 2.284 ( -0.819 0.855 5.950) 6.067 2.347 ( -6.616 -4.610 -2.245) 8.371 2.347 ( -6.616 -4.610 2.245) 8.371 2.848 ( -1.065 1.028 -6.681) 6.843 2.848 ( -1.065 1.028 6.681) 6.843 2.967 ( -0.581 -0.725 -1.470) 1.739 2.967 ( -0.581 -0.725 1.470) 1.739 3.140 ( -2.385 0.406 -1.660) 2.934 3.140 ( -2.385 0.406 1.660) 2.934 3.305 ( 0.986 0.164 -1.886) 2.135 3.305 ( 0.986 0.164 1.886) 2.135 3.354 ( -0.818 0.383 -2.023) 2.215 3.354 ( -0.818 0.383 2.023) 2.215 3.546 ( 0.146 0.323 -4.205) 4.220 3.546 ( 0.146 0.323 4.205) 4.220 3.791 ( -8.343 0.632 -2.477) 8.726 3.791 ( -8.343 0.632 2.477) 8.726 3.947 ( -8.403 0.843 -1.982) 8.675 3.947 ( -8.403 0.843 1.982) 8.675 6.259 ( 2.243 -0.287 -1.723) 2.843 6.259 ( 2.243 -0.287 1.723) 2.843 6.432 ( -5.815 -0.862 -3.053) 6.624 6.432 ( -5.815 -0.862 3.053) 6.624 6.863 ( 1.854 0.040 -6.849) 7.095 6.863 ( 1.854 0.040 6.849) 7.095 6.998 ( -1.757 -0.244 -3.584) 3.999 6.998 ( -1.757 -0.244 3.584) 3.999 7.246 ( 1.123 -0.252 -1.784) 2.123 7.246 ( 1.123 -0.252 1.784) 2.123 7.431 ( -2.635 0.125 -0.348) 2.661 7.431 ( -2.635 0.125 0.348) 2.661 7.539 ( -1.840 0.101 -1.936) 2.673 7.539 ( -1.840 0.101 1.936) 2.673 8.011 ( -1.918 0.185 -5.480) 5.809 8.011 ( -1.918 0.185 5.480) 5.809 8.478 ( 0.948 -1.647 -20.298) 20.387 8.478 ( 0.948 -1.647 20.298) 20.387 8.908 ( 2.044 0.084 -11.983) 12.156 8.908 ( 2.044 0.084 11.983) 12.156 9.634 ( 3.418 0.331 -2.413) 4.197 9.634 ( 3.418 0.331 2.413) 4.197 ======================= Grid point 468 (138/147) ======================= q-point: (-0.54 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -10.060 0.782 -3.576) 10.706 1.584 ( -10.060 0.782 3.576) 10.706 1.797 ( -4.005 1.878 -2.640) 5.151 1.797 ( -4.005 1.878 2.640) 5.151 2.036 ( -6.187 0.955 -5.019) 8.023 2.036 ( -6.187 0.955 5.019) 8.023 2.192 ( -6.552 -3.204 -0.083) 7.294 2.192 ( -6.552 -3.204 0.083) 7.294 2.359 ( 1.233 -5.546 -6.521) 8.649 2.359 ( 1.233 -5.546 6.521) 8.649 2.761 ( -8.214 1.870 -3.828) 9.253 2.761 ( -8.214 1.870 3.828) 9.253 2.912 ( -6.913 -1.316 -1.631) 7.223 2.912 ( -6.913 -1.316 1.631) 7.223 3.079 ( -2.738 0.578 -2.002) 3.440 3.079 ( -2.738 0.578 2.002) 3.440 3.254 ( -6.384 3.872 -2.139) 7.766 3.254 ( -6.384 3.872 2.139) 7.766 3.343 ( -0.858 -1.170 -2.028) 2.494 3.343 ( -0.858 -1.170 2.028) 2.494 3.509 ( -6.354 2.924 -2.664) 7.485 3.509 ( -6.354 2.924 2.664) 7.485 3.578 ( -4.183 -1.563 -2.755) 5.247 3.578 ( -4.183 -1.563 2.755) 5.247 3.901 ( 1.496 0.205 -0.396) 1.561 3.901 ( 1.496 0.205 0.396) 1.561 6.297 ( 0.347 -0.294 -2.555) 2.595 6.297 ( 0.347 -0.294 2.555) 2.595 6.370 ( -1.706 -2.243 -1.744) 3.314 6.370 ( -1.706 -2.243 1.744) 3.314 6.888 ( -0.030 -0.117 -6.708) 6.709 6.888 ( -0.030 -0.117 6.708) 6.709 6.972 ( -0.696 -0.456 -1.488) 1.705 6.972 ( -0.696 -0.456 1.488) 1.705 7.138 ( -13.594 0.093 -1.101) 13.639 7.138 ( -13.594 0.093 1.101) 13.639 7.391 ( 1.392 0.756 -6.044) 6.248 7.391 ( 1.392 0.756 6.044) 6.248 7.566 ( 3.748 0.033 -1.512) 4.042 7.566 ( 3.748 0.033 1.512) 4.042 7.932 ( -5.614 0.271 -3.197) 6.466 7.932 ( -5.614 0.271 3.197) 6.466 8.545 ( 4.132 -3.516 -17.928) 18.731 8.545 ( 4.132 -3.516 17.928) 18.731 8.952 ( 2.686 -0.011 -9.672) 10.038 8.952 ( 2.686 -0.011 9.672) 10.038 9.704 ( 4.163 0.866 -2.594) 4.981 9.704 ( 4.163 0.866 2.594) 4.981 ======================= Grid point 470 (139/147) ======================= q-point: (-0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -8.725 2.866 -7.809) 12.055 1.390 ( -8.725 2.866 7.809) 12.055 1.704 ( -3.534 6.361 -4.354) 8.480 1.704 ( -3.534 6.361 4.354) 8.480 1.907 ( -6.480 0.094 -3.725) 7.475 1.907 ( -6.480 0.094 3.725) 7.475 2.112 ( -4.629 -6.582 -1.615) 8.207 2.112 ( -4.629 -6.582 1.615) 8.207 2.376 ( -4.483 -2.458 -2.929) 5.892 2.376 ( -4.483 -2.458 2.929) 5.892 2.500 ( -15.627 -1.755 -2.003) 15.852 2.500 ( -15.627 -1.755 2.003) 15.852 2.739 ( -10.080 0.358 -2.754) 10.455 2.739 ( -10.080 0.358 2.754) 10.455 2.941 ( -11.038 10.662 -3.653) 15.775 2.941 ( -11.038 10.662 3.653) 15.775 3.099 ( -1.933 1.618 -8.902) 9.252 3.099 ( -1.933 1.618 8.902) 9.252 3.333 ( -1.143 -3.829 -3.282) 5.171 3.333 ( -1.143 -3.829 3.282) 5.171 3.467 ( 1.481 -4.190 -2.317) 5.011 3.467 ( 1.481 -4.190 2.317) 5.011 3.582 ( 1.227 -1.067 -2.169) 2.711 3.582 ( 1.227 -1.067 2.169) 2.711 3.951 ( 3.461 1.075 -1.136) 3.798 3.951 ( 3.461 1.075 1.136) 3.798 6.188 ( -16.071 0.665 -0.362) 16.089 6.188 ( -16.071 0.665 0.362) 16.089 6.358 ( -0.988 -4.809 -2.826) 5.665 6.358 ( -0.988 -4.809 2.826) 5.665 6.821 ( -4.809 1.130 -3.877) 6.280 6.821 ( -4.809 1.130 3.877) 6.280 6.931 ( -3.202 -1.365 -2.350) 4.200 6.931 ( -3.202 -1.365 2.350) 4.200 6.990 ( 1.101 0.452 -1.220) 1.705 6.990 ( 1.101 0.452 1.220) 1.705 7.426 ( 2.351 2.718 -6.874) 7.757 7.426 ( 2.351 2.718 6.874) 7.757 7.643 ( 2.672 -0.754 -4.789) 5.536 7.643 ( 2.672 -0.754 4.789) 5.536 7.816 ( -5.113 0.600 -1.937) 5.500 7.816 ( -5.113 0.600 1.937) 5.500 8.658 ( 4.673 -4.961 -13.628) 15.237 8.658 ( 4.673 -4.961 13.628) 15.237 9.011 ( 3.274 -0.206 -6.705) 7.464 9.011 ( 3.274 -0.206 6.705) 7.464 9.784 ( 4.701 1.544 -2.311) 5.461 9.784 ( 4.701 1.544 2.311) 5.461 ======================= Grid point 472 (140/147) ======================= q-point: (-0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -4.803 5.301 -11.582) 13.613 1.232 ( -4.803 5.301 11.582) 13.613 1.568 ( -5.681 12.289 -6.379) 14.966 1.568 ( -5.681 12.289 6.379) 14.966 1.803 ( -4.394 -1.270 -2.719) 5.321 1.803 ( -4.394 -1.270 2.719) 5.321 2.038 ( -8.806 -2.783 -1.795) 9.408 2.038 ( -8.806 -2.783 1.795) 9.408 2.175 ( -5.685 -4.320 -3.318) 7.874 2.175 ( -5.685 -4.320 3.318) 7.874 2.345 ( -8.571 -5.129 -2.801) 10.374 2.345 ( -8.571 -5.129 2.801) 10.374 2.573 ( -3.370 8.252 -6.834) 11.232 2.573 ( -3.370 8.252 6.834) 11.232 2.701 ( -7.097 6.637 -5.218) 11.029 2.701 ( -7.097 6.637 5.218) 11.029 3.082 ( -0.158 0.510 -7.578) 7.597 3.082 ( -0.158 0.510 7.578) 7.597 3.349 ( 0.067 -4.879 -3.529) 6.022 3.349 ( 0.067 -4.879 3.529) 6.022 3.539 ( 1.618 -6.965 -1.733) 7.358 3.539 ( 1.618 -6.965 1.733) 7.358 3.626 ( 2.414 -2.419 -2.633) 4.314 3.626 ( 2.414 -2.419 2.633) 4.314 4.007 ( 2.883 1.906 -1.986) 3.986 4.007 ( 2.883 1.906 1.986) 3.986 5.743 ( -23.706 0.685 -0.434) 23.720 5.743 ( -23.706 0.685 0.434) 23.720 6.375 ( 0.053 -3.035 -3.102) 4.340 6.375 ( 0.053 -3.035 3.102) 4.340 6.808 ( 2.201 0.725 -3.288) 4.023 6.808 ( 2.201 0.725 3.288) 4.023 6.898 ( -2.181 -1.414 -4.104) 4.858 6.898 ( -2.181 -1.414 4.104) 4.858 7.022 ( 2.428 1.293 -0.574) 2.810 7.022 ( 2.428 1.293 0.574) 2.810 7.449 ( 2.313 4.027 -7.534) 8.851 7.449 ( 2.313 4.027 7.534) 8.851 7.612 ( -5.135 0.353 -2.477) 5.712 7.612 ( -5.135 0.353 2.477) 5.712 7.789 ( 1.422 -0.671 -5.784) 5.994 7.789 ( 1.422 -0.671 5.784) 5.994 8.764 ( 2.825 -6.237 -9.251) 11.509 8.764 ( 2.825 -6.237 9.251) 11.509 9.075 ( 2.827 -0.842 -3.418) 4.515 9.075 ( 2.827 -0.842 3.418) 4.515 9.856 ( 3.483 2.199 -1.683) 4.450 9.856 ( 3.483 2.199 1.683) 4.450 ======================= Grid point 474 (141/147) ======================= q-point: (-0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 0.000 6.695 -14.237) 15.733 1.155 ( 0.000 6.695 14.237) 15.733 1.404 ( 0.000 15.912 -7.503) 17.593 1.404 ( 0.000 15.912 7.503) 17.593 1.758 ( 0.000 1.100 -4.013) 4.161 1.758 ( 0.000 1.100 4.013) 4.161 1.938 ( -0.000 -1.458 -4.945) 5.155 1.938 ( -0.000 -1.458 4.945) 5.155 2.208 ( -0.000 -4.431 -1.610) 4.715 2.208 ( -0.000 -4.431 1.610) 4.715 2.236 ( -0.000 -4.703 -9.441) 10.547 2.236 ( -0.000 -4.703 9.441) 10.547 2.488 ( 0.000 12.525 -14.550) 19.198 2.488 ( 0.000 12.525 14.550) 19.198 2.623 ( -0.000 -1.945 -0.692) 2.064 2.623 ( -0.000 -1.945 0.692) 2.064 3.079 ( 0.000 0.232 -6.595) 6.599 3.079 ( 0.000 0.232 6.595) 6.599 3.377 ( -0.000 -3.696 -2.435) 4.426 3.377 ( -0.000 -3.696 2.435) 4.426 3.588 ( -0.000 -5.254 -0.590) 5.287 3.588 ( -0.000 -5.254 0.590) 5.287 3.683 ( -0.000 -6.405 -3.839) 7.468 3.683 ( -0.000 -6.405 3.839) 7.468 4.028 ( 0.000 1.877 -2.815) 3.383 4.028 ( 0.000 1.877 2.815) 3.383 5.465 ( 0.000 3.226 -0.887) 3.345 5.465 ( 0.000 3.226 0.887) 3.345 6.393 ( -0.000 -3.582 -3.096) 4.734 6.393 ( -0.000 -3.582 3.096) 4.734 6.844 ( 0.000 2.862 -8.519) 8.987 6.844 ( 0.000 2.862 8.519) 8.987 6.857 ( 0.000 0.052 -1.652) 1.652 6.857 ( 0.000 0.052 1.652) 1.652 7.048 ( -0.000 -0.228 -0.542) 0.588 7.048 ( -0.000 -0.228 0.542) 0.588 7.466 ( 0.000 4.151 -9.637) 10.493 7.466 ( 0.000 4.151 9.637) 10.493 7.532 ( 0.000 0.461 -2.266) 2.313 7.532 ( 0.000 0.461 2.266) 2.313 7.813 ( -0.000 -0.876 -7.274) 7.326 7.813 ( -0.000 -0.876 7.274) 7.326 8.830 ( -0.000 -7.277 -6.548) 9.789 8.830 ( -0.000 -7.277 6.548) 9.789 9.114 ( -0.000 -1.930 -1.092) 2.218 9.114 ( -0.000 -1.930 1.092) 2.218 9.879 ( 0.000 2.684 -1.359) 3.009 9.879 ( 0.000 2.684 1.359) 3.009 ======================= Grid point 492 (142/147) ======================= q-point: (-0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -9.683 -0.000 -3.809) 10.405 1.588 ( -9.683 -0.000 3.809) 10.405 1.808 ( -3.397 -0.000 -1.965) 3.925 1.808 ( -3.397 -0.000 1.965) 3.925 2.045 ( -5.534 -0.000 -5.702) 7.946 2.045 ( -5.534 -0.000 5.702) 7.946 2.171 ( -8.343 -0.000 -1.064) 8.410 2.171 ( -8.343 -0.000 1.064) 8.410 2.326 ( 2.353 0.000 -7.614) 7.969 2.326 ( 2.353 0.000 7.614) 7.969 2.773 ( -8.574 -0.000 -4.614) 9.736 2.773 ( -8.574 -0.000 4.614) 9.736 2.904 ( -6.488 -0.000 -0.099) 6.489 2.904 ( -6.488 -0.000 0.099) 6.489 3.082 ( -2.892 -0.000 -1.108) 3.096 3.082 ( -2.892 -0.000 1.108) 3.096 3.279 ( -3.813 -0.000 -0.860) 3.909 3.279 ( -3.813 -0.000 0.860) 3.909 3.334 ( -2.023 -0.000 -1.526) 2.534 3.334 ( -2.023 -0.000 1.526) 2.534 3.531 ( -7.897 -0.000 -2.136) 8.181 3.531 ( -7.897 -0.000 2.136) 8.181 3.564 ( -4.446 -0.000 -0.464) 4.470 3.564 ( -4.446 -0.000 0.464) 4.470 3.902 ( 1.525 0.000 -0.199) 1.538 3.902 ( 1.525 0.000 0.199) 1.538 6.295 ( 0.778 0.000 -3.110) 3.206 6.295 ( 0.778 0.000 3.110) 3.206 6.358 ( -2.306 -0.000 -1.619) 2.818 6.358 ( -2.306 -0.000 1.619) 2.818 6.887 ( -0.106 -0.000 -6.695) 6.696 6.887 ( -0.106 -0.000 6.695) 6.696 6.969 ( -0.633 -0.000 -1.350) 1.491 6.969 ( -0.633 -0.000 1.350) 1.491 7.139 ( -13.323 -0.000 -1.287) 13.385 7.139 ( -13.323 -0.000 1.287) 13.385 7.396 ( 1.627 0.000 -6.068) 6.282 7.396 ( 1.627 0.000 6.068) 6.282 7.566 ( 3.586 0.000 -0.811) 3.676 7.566 ( 3.586 0.000 0.811) 3.676 7.934 ( -5.568 -0.000 -3.342) 6.494 7.934 ( -5.568 -0.000 3.342) 6.494 8.525 ( 4.106 0.000 -18.230) 18.686 8.525 ( 4.106 0.000 18.230) 18.686 8.952 ( 2.650 0.000 -9.667) 10.023 8.952 ( 2.650 0.000 9.667) 10.023 9.709 ( 4.213 0.000 -2.659) 4.981 9.709 ( 4.213 0.000 2.659) 4.981 ======================= Grid point 496 (143/147) ======================= q-point: (-0.54 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -8.139 1.022 -7.896) 11.386 1.412 ( -8.139 1.022 7.896) 11.386 1.754 ( -1.805 2.190 -1.239) 3.096 1.754 ( -1.805 2.190 1.239) 3.096 1.928 ( -6.154 2.879 -4.452) 8.123 1.928 ( -6.154 2.879 4.452) 8.123 2.042 ( -5.683 -5.005 -0.380) 7.583 2.042 ( -5.683 -5.005 0.380) 7.583 2.353 ( -1.179 -1.251 -5.588) 5.847 2.353 ( -1.179 -1.251 5.588) 5.847 2.488 ( -19.143 -0.431 -2.365) 19.293 2.488 ( -19.143 -0.431 2.365) 19.293 2.738 ( -9.462 -0.161 -0.942) 9.511 2.738 ( -9.462 -0.161 0.942) 9.511 3.027 ( -4.317 3.549 -3.347) 6.514 3.027 ( -4.317 3.549 3.347) 6.514 3.143 ( -5.836 6.214 -10.491) 13.518 3.143 ( -5.836 6.214 10.491) 13.518 3.268 ( -4.521 -6.890 -4.430) 9.356 3.268 ( -4.521 -6.890 4.430) 9.356 3.436 ( 0.469 -1.203 -1.994) 2.375 3.436 ( 0.469 -1.203 1.994) 2.375 3.576 ( 1.530 -0.186 -2.542) 2.973 3.576 ( 1.530 -0.186 2.542) 2.973 3.959 ( 3.791 0.374 -0.922) 3.919 3.959 ( 3.791 0.374 0.922) 3.919 6.197 ( -17.563 0.729 -0.519) 17.586 6.197 ( -17.563 0.729 0.519) 17.586 6.316 ( 0.827 -2.261 -3.390) 4.158 6.316 ( 0.827 -2.261 3.390) 4.158 6.827 ( -4.682 0.164 -4.366) 6.404 6.827 ( -4.682 0.164 4.366) 6.404 6.922 ( -3.708 -0.355 -1.457) 4.000 6.922 ( -3.708 -0.355 1.457) 4.000 6.994 ( 1.520 0.270 -1.831) 2.394 6.994 ( 1.520 0.270 1.831) 2.394 7.449 ( 3.251 1.251 -6.954) 7.777 7.449 ( 3.251 1.251 6.954) 7.777 7.635 ( 2.277 -0.524 -3.963) 4.600 7.635 ( 2.277 -0.524 3.963) 4.600 7.821 ( -5.127 0.271 -2.434) 5.682 7.821 ( -5.127 0.271 2.434) 5.682 8.620 ( 4.728 -1.786 -13.986) 14.871 8.620 ( 4.728 -1.786 13.986) 14.871 9.009 ( 3.185 -0.064 -6.849) 7.553 9.009 ( 3.185 -0.064 6.849) 7.553 9.795 ( 4.776 0.510 -2.433) 5.385 9.795 ( 4.776 0.510 2.433) 5.385 ======================= Grid point 498 (144/147) ======================= q-point: (-0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -4.641 2.552 -10.847) 12.071 1.275 ( -4.641 2.552 10.847) 12.071 1.690 ( -3.012 8.612 -2.790) 9.541 1.690 ( -3.012 8.612 2.790) 9.541 1.795 ( -5.096 0.574 -3.072) 5.978 1.795 ( -5.096 0.574 3.072) 5.978 1.988 ( -5.483 -5.773 -1.312) 8.069 1.988 ( -5.483 -5.773 1.312) 8.069 2.146 ( -9.626 -1.072 -2.964) 10.129 2.146 ( -9.626 -1.072 2.964) 10.129 2.292 ( -8.118 -3.871 -2.424) 9.314 2.292 ( -8.118 -3.871 2.424) 9.314 2.608 ( -2.674 0.465 -1.037) 2.906 2.608 ( -2.674 0.465 1.037) 2.906 2.834 ( -7.277 13.676 -5.934) 16.590 2.834 ( -7.277 13.676 5.934) 16.590 3.090 ( -0.201 0.959 -10.347) 10.393 3.090 ( -0.201 0.959 10.347) 10.393 3.263 ( -1.374 -10.061 -7.186) 12.439 3.263 ( -1.374 -10.061 7.186) 12.439 3.481 ( 1.955 -2.937 -2.410) 4.272 3.481 ( 1.955 -2.937 2.410) 4.272 3.611 ( 1.680 -0.822 -2.547) 3.160 3.611 ( 1.680 -0.822 2.547) 3.160 4.024 ( 2.903 1.059 -1.573) 3.467 4.024 ( 2.903 1.059 1.573) 3.467 5.751 ( -22.720 0.548 -0.025) 22.727 5.751 ( -22.720 0.548 0.025) 22.727 6.349 ( 0.950 -1.633 -3.510) 3.986 6.349 ( 0.950 -1.633 3.510) 3.986 6.808 ( 1.398 -0.420 -4.116) 4.367 6.808 ( 1.398 -0.420 4.116) 4.367 6.882 ( -1.887 -1.121 -3.569) 4.190 6.882 ( -1.887 -1.121 3.569) 4.190 7.039 ( 2.900 1.270 -1.240) 3.400 7.039 ( 2.900 1.270 1.240) 3.400 7.491 ( 2.426 3.152 -6.910) 7.973 7.491 ( 2.426 3.152 6.910) 7.973 7.614 ( -4.197 0.069 -3.418) 5.413 7.614 ( -4.197 0.069 3.418) 5.413 7.780 ( 0.477 -0.801 -5.664) 5.740 7.780 ( 0.477 -0.801 5.664) 5.740 8.710 ( 2.802 -3.413 -9.750) 10.703 8.710 ( 2.802 -3.413 9.750) 10.703 9.069 ( 2.580 -0.343 -4.201) 4.942 9.069 ( 2.580 -0.343 4.201) 4.942 9.875 ( 3.490 1.101 -1.861) 4.106 9.875 ( 3.490 1.101 1.861) 4.106 ======================= Grid point 500 (145/147) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.000 3.773 -12.635) 13.187 1.213 ( 0.000 3.773 12.635) 13.187 1.568 ( 0.000 13.148 -4.414) 13.870 1.568 ( 0.000 13.148 4.414) 13.870 1.756 ( -0.000 -1.068 -3.019) 3.203 1.756 ( -0.000 -1.068 3.019) 3.203 1.917 ( -0.000 -2.371 -4.236) 4.855 1.917 ( -0.000 -2.371 4.236) 4.855 2.156 ( -0.000 -4.508 -0.843) 4.586 2.156 ( -0.000 -4.508 0.843) 4.586 2.174 ( -0.000 -5.067 -5.525) 7.497 2.174 ( -0.000 -5.067 5.525) 7.497 2.605 ( -0.000 -1.247 -0.737) 1.448 2.605 ( -0.000 -1.247 0.737) 1.448 2.661 ( 0.000 16.815 -12.183) 20.765 2.661 ( 0.000 16.815 12.183) 20.765 3.085 ( 0.000 0.707 -8.802) 8.830 3.085 ( 0.000 0.707 8.802) 8.830 3.308 ( -0.000 -9.156 -6.132) 11.020 3.308 ( -0.000 -9.156 6.132) 11.020 3.522 ( -0.000 -4.641 -1.750) 4.960 3.522 ( -0.000 -4.641 1.750) 4.960 3.641 ( -0.000 -2.322 -3.332) 4.061 3.641 ( -0.000 -2.322 3.332) 4.061 4.047 ( 0.000 1.429 -2.070) 2.515 4.047 ( 0.000 1.429 2.070) 2.515 5.494 ( 0.000 1.996 -0.766) 2.138 5.494 ( 0.000 1.996 0.766) 2.138 6.365 ( -0.000 -1.521 -3.543) 3.856 6.365 ( -0.000 -1.521 3.543) 3.856 6.846 ( -0.000 -1.471 -7.836) 7.973 6.846 ( -0.000 -1.471 7.836) 7.973 6.853 ( -0.000 -0.619 -1.613) 1.728 6.853 ( -0.000 -0.619 1.613) 1.728 7.064 ( 0.000 2.103 -0.544) 2.173 7.064 ( 0.000 2.103 0.544) 2.173 7.517 ( 0.000 4.606 -8.786) 9.920 7.517 ( 0.000 4.606 8.786) 9.920 7.536 ( 0.000 0.282 -2.306) 2.323 7.536 ( 0.000 0.282 2.306) 2.323 7.798 ( -0.000 -1.645 -7.447) 7.627 7.798 ( -0.000 -1.645 7.447) 7.627 8.760 ( -0.000 -4.967 -7.919) 9.348 8.760 ( -0.000 -4.967 7.919) 9.348 9.100 ( -0.000 -0.820 -2.760) 2.879 9.100 ( -0.000 -0.820 2.760) 2.879 9.903 ( 0.000 1.636 -1.490) 2.213 9.903 ( 0.000 1.636 1.490) 2.213 ======================= Grid point 522 (146/147) ======================= q-point: (-0.54 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -4.613 -0.000 -10.404) 11.381 1.290 ( -4.613 -0.000 10.404) 11.381 1.734 ( -1.203 -0.000 -0.896) 1.501 1.734 ( -1.203 -0.000 0.896) 1.501 1.815 ( -6.861 -0.000 -1.654) 7.057 1.815 ( -6.861 -0.000 1.654) 7.057 1.941 ( -3.888 -0.000 -1.726) 4.254 1.941 ( -3.888 -0.000 1.726) 4.254 2.142 ( -11.224 -0.000 -3.187) 11.668 2.142 ( -11.224 -0.000 3.187) 11.668 2.269 ( -7.743 -0.000 -2.307) 8.079 2.269 ( -7.743 -0.000 2.307) 8.079 2.609 ( -2.820 -0.000 -0.526) 2.869 2.609 ( -2.820 -0.000 0.526) 2.869 2.932 ( -6.485 -0.000 -3.973) 7.605 2.932 ( -6.485 -0.000 3.973) 7.605 3.103 ( -0.868 -0.000 -15.036) 15.061 3.103 ( -0.868 -0.000 15.036) 15.061 3.178 ( -1.549 -0.000 -9.715) 9.837 3.178 ( -1.549 -0.000 9.715) 9.837 3.467 ( 2.120 0.000 -2.439) 3.231 3.467 ( 2.120 0.000 2.439) 3.231 3.606 ( 1.356 0.000 -2.425) 2.778 3.606 ( 1.356 0.000 2.425) 2.778 4.030 ( 2.925 0.000 -1.418) 3.251 4.030 ( 2.925 0.000 1.418) 3.251 5.754 ( -22.465 -0.000 -0.115) 22.466 5.754 ( -22.465 -0.000 0.115) 22.466 6.340 ( 1.443 0.000 -3.649) 3.924 6.340 ( 1.443 0.000 3.649) 3.924 6.804 ( 1.040 0.000 -4.539) 4.656 6.804 ( 1.040 0.000 4.539) 4.656 6.875 ( -1.895 -0.000 -3.203) 3.721 6.875 ( -1.895 -0.000 3.203) 3.721 7.046 ( 3.106 0.000 -1.519) 3.457 7.046 ( 3.106 0.000 1.519) 3.457 7.511 ( 2.369 0.000 -6.631) 7.042 7.511 ( 2.369 0.000 6.631) 7.042 7.614 ( -3.524 -0.000 -3.566) 5.014 7.614 ( -3.524 -0.000 3.566) 5.014 7.775 ( -0.079 -0.000 -5.438) 5.438 7.775 ( -0.079 -0.000 5.438) 5.438 8.690 ( 2.807 0.000 -9.792) 10.186 8.690 ( 2.807 0.000 9.792) 10.186 9.067 ( 2.512 0.000 -4.412) 5.077 9.067 ( 2.512 0.000 4.412) 5.077 9.881 ( 3.498 0.000 -1.936) 3.998 9.881 ( 3.498 0.000 1.936) 3.998 ======================= Grid point 526 (147/147) ======================= q-point: (-0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.000 1.242 -11.402) 11.470 1.241 ( 0.000 1.242 11.402) 11.470 1.684 ( 0.000 6.537 -1.508) 6.709 1.684 ( 0.000 6.537 1.508) 6.709 1.744 ( -0.000 -0.781 -3.081) 3.178 1.744 ( -0.000 -0.781 3.081) 3.178 1.887 ( -0.000 -2.341 -4.498) 5.071 1.887 ( -0.000 -2.341 4.498) 5.071 2.117 ( -0.000 -2.089 -0.194) 2.098 2.117 ( -0.000 -2.089 0.194) 2.098 2.135 ( -0.000 -1.829 -2.884) 3.415 2.135 ( -0.000 -1.829 2.884) 3.415 2.596 ( -0.000 -0.417 -0.670) 0.789 2.596 ( -0.000 -0.417 0.670) 0.789 2.826 ( 0.000 10.502 -4.739) 11.521 2.826 ( 0.000 10.502 4.739) 11.521 3.094 ( 0.000 0.952 -12.401) 12.437 3.094 ( 0.000 0.952 12.401) 12.437 3.194 ( -0.000 -8.848 -10.919) 14.054 3.194 ( -0.000 -8.848 10.919) 14.054 3.494 ( -0.000 -0.942 -2.554) 2.722 3.494 ( -0.000 -0.942 2.554) 2.722 3.623 ( -0.000 -0.882 -2.536) 2.685 3.623 ( -0.000 -0.882 2.536) 2.685 4.059 ( 0.000 0.538 -1.679) 1.763 4.059 ( 0.000 0.538 1.679) 1.763 5.509 ( 0.000 0.646 -0.699) 0.952 5.509 ( 0.000 0.646 0.699) 0.952 6.356 ( -0.000 -0.329 -3.807) 3.821 6.356 ( -0.000 -0.329 3.807) 3.821 6.830 ( -0.000 -0.891 -7.431) 7.485 6.830 ( -0.000 -0.891 7.431) 7.485 6.847 ( -0.000 -0.355 -1.562) 1.602 6.847 ( -0.000 -0.355 1.562) 1.602 7.081 ( 0.000 0.879 -0.938) 1.286 7.081 ( 0.000 0.879 0.938) 1.286 7.538 ( 0.000 0.092 -2.317) 2.319 7.538 ( 0.000 0.092 2.317) 2.319 7.558 ( 0.000 2.223 -7.351) 7.679 7.558 ( 0.000 2.223 7.351) 7.679 7.781 ( -0.000 -1.013 -7.209) 7.280 7.781 ( -0.000 -1.013 7.209) 7.280 8.722 ( -0.000 -1.745 -8.052) 8.239 8.722 ( -0.000 -1.745 8.052) 8.239 9.094 ( -0.000 -0.236 -3.392) 3.400 9.094 ( -0.000 -0.236 3.392) 3.400 9.915 ( 0.000 0.553 -1.627) 1.719 9.915 ( 0.000 0.553 1.627) 1.719 =================== 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 3/32448 10.0 385.507 1087.787 443.541 0.000 0.000 0.000 3/32448 20.0 113.595 114.375 74.050 0.000 0.000 0.000 3/32448 30.0 53.021 40.079 29.690 0.000 0.000 0.000 3/32448 40.0 35.683 22.923 18.159 0.000 0.000 0.000 3/32448 50.0 27.557 16.074 13.228 0.000 0.000 0.000 3/32448 60.0 22.480 12.376 10.429 0.000 0.000 0.000 3/32448 70.0 18.894 10.032 8.594 0.000 0.000 0.000 3/32448 80.0 16.223 8.409 7.296 0.000 0.000 0.000 3/32448 90.0 14.173 7.223 6.335 0.000 0.000 0.000 3/32448 100.0 12.562 6.323 5.600 0.000 0.000 0.000 3/32448 110.0 11.271 5.620 5.021 0.000 0.000 0.000 3/32448 120.0 10.217 5.058 4.554 0.000 0.000 0.000 3/32448 130.0 9.344 4.598 4.170 0.000 0.000 0.000 3/32448 140.0 8.609 4.216 3.848 0.000 0.000 0.000 3/32448 150.0 7.983 3.894 3.575 0.000 0.000 0.000 3/32448 160.0 7.443 3.618 3.340 0.000 0.000 0.000 3/32448 170.0 6.974 3.380 3.135 0.000 0.000 0.000 3/32448 180.0 6.561 3.172 2.955 0.000 0.000 0.000 3/32448 190.0 6.196 2.989 2.795 0.000 0.000 0.000 3/32448 200.0 5.870 2.826 2.652 0.000 0.000 0.000 3/32448 210.0 5.578 2.681 2.524 0.000 0.000 0.000 3/32448 220.0 5.314 2.550 2.408 0.000 0.000 0.000 3/32448 230.0 5.075 2.432 2.302 0.000 0.000 0.000 3/32448 240.0 4.857 2.324 2.206 0.000 0.000 0.000 3/32448 250.0 4.657 2.226 2.117 0.000 0.000 0.000 3/32448 260.0 4.474 2.136 2.036 0.000 0.000 0.000 3/32448 270.0 4.304 2.053 1.960 0.000 0.000 0.000 3/32448 280.0 4.147 1.977 1.890 0.000 0.000 0.000 3/32448 290.0 4.002 1.906 1.825 0.000 0.000 0.000 3/32448 300.0 3.867 1.840 1.765 0.000 0.000 0.000 3/32448 310.0 3.740 1.779 1.708 0.000 0.000 0.000 3/32448 320.0 3.622 1.721 1.655 0.000 0.000 0.000 3/32448 330.0 3.511 1.668 1.605 0.000 0.000 0.000 3/32448 340.0 3.407 1.617 1.558 0.000 0.000 0.000 3/32448 350.0 3.309 1.570 1.514 0.000 0.000 0.000 3/32448 360.0 3.217 1.525 1.472 0.000 0.000 0.000 3/32448 370.0 3.129 1.483 1.433 0.000 0.000 0.000 3/32448 380.0 3.047 1.444 1.395 0.000 0.000 0.000 3/32448 390.0 2.968 1.406 1.360 0.000 0.000 0.000 3/32448 400.0 2.894 1.370 1.326 0.000 0.000 0.000 3/32448 410.0 2.823 1.336 1.294 0.000 0.000 0.000 3/32448 420.0 2.756 1.304 1.264 0.000 0.000 0.000 3/32448 430.0 2.692 1.273 1.235 0.000 0.000 0.000 3/32448 440.0 2.631 1.244 1.207 0.000 0.000 0.000 3/32448 450.0 2.572 1.216 1.180 0.000 0.000 0.000 3/32448 460.0 2.516 1.189 1.155 0.000 0.000 0.000 3/32448 470.0 2.463 1.164 1.130 0.000 0.000 0.000 3/32448 480.0 2.412 1.139 1.107 0.000 0.000 0.000 3/32448 490.0 2.363 1.116 1.085 0.000 0.000 0.000 3/32448 500.0 2.316 1.093 1.063 0.000 0.000 0.000 3/32448 510.0 2.270 1.071 1.043 0.000 0.000 0.000 3/32448 520.0 2.227 1.051 1.023 0.000 0.000 0.000 3/32448 530.0 2.185 1.031 1.004 0.000 0.000 0.000 3/32448 540.0 2.145 1.012 0.985 0.000 0.000 0.000 3/32448 550.0 2.106 0.993 0.968 0.000 0.000 0.000 3/32448 560.0 2.068 0.975 0.950 0.000 0.000 0.000 3/32448 570.0 2.032 0.958 0.934 0.000 0.000 0.000 3/32448 580.0 1.997 0.941 0.918 0.000 0.000 0.000 3/32448 590.0 1.964 0.925 0.903 0.000 0.000 0.000 3/32448 600.0 1.931 0.910 0.888 0.000 0.000 0.000 3/32448 610.0 1.900 0.895 0.873 0.000 0.000 0.000 3/32448 620.0 1.869 0.880 0.859 0.000 0.000 0.000 3/32448 630.0 1.840 0.866 0.846 0.000 0.000 0.000 3/32448 640.0 1.811 0.853 0.833 0.000 0.000 0.000 3/32448 650.0 1.784 0.840 0.820 0.000 0.000 0.000 3/32448 660.0 1.757 0.827 0.808 0.000 0.000 0.000 3/32448 670.0 1.731 0.815 0.796 0.000 0.000 0.000 3/32448 680.0 1.705 0.803 0.784 0.000 0.000 0.000 3/32448 690.0 1.681 0.791 0.773 0.000 0.000 0.000 3/32448 700.0 1.657 0.780 0.762 0.000 0.000 0.000 3/32448 710.0 1.634 0.769 0.751 0.000 0.000 0.000 3/32448 720.0 1.611 0.758 0.741 0.000 0.000 0.000 3/32448 730.0 1.589 0.748 0.731 0.000 0.000 0.000 3/32448 740.0 1.568 0.737 0.721 0.000 0.000 0.000 3/32448 750.0 1.547 0.728 0.711 0.000 0.000 0.000 3/32448 760.0 1.527 0.718 0.702 0.000 0.000 0.000 3/32448 770.0 1.507 0.709 0.693 0.000 0.000 0.000 3/32448 780.0 1.488 0.700 0.684 0.000 0.000 0.000 3/32448 790.0 1.469 0.691 0.676 0.000 0.000 0.000 3/32448 800.0 1.451 0.682 0.667 0.000 0.000 0.000 3/32448 810.0 1.433 0.674 0.659 0.000 0.000 0.000 3/32448 820.0 1.416 0.665 0.651 0.000 0.000 0.000 3/32448 830.0 1.399 0.657 0.643 0.000 0.000 0.000 3/32448 840.0 1.382 0.650 0.636 0.000 0.000 0.000 3/32448 850.0 1.366 0.642 0.628 0.000 0.000 0.000 3/32448 860.0 1.350 0.635 0.621 0.000 0.000 0.000 3/32448 870.0 1.335 0.627 0.614 0.000 0.000 0.000 3/32448 880.0 1.320 0.620 0.607 0.000 0.000 0.000 3/32448 890.0 1.305 0.613 0.600 0.000 0.000 0.000 3/32448 900.0 1.291 0.606 0.594 0.000 0.000 0.000 3/32448 910.0 1.277 0.600 0.587 0.000 0.000 0.000 3/32448 920.0 1.263 0.593 0.581 0.000 0.000 0.000 3/32448 930.0 1.249 0.587 0.575 0.000 0.000 0.000 3/32448 940.0 1.236 0.581 0.569 0.000 0.000 0.000 3/32448 950.0 1.223 0.574 0.563 0.000 0.000 0.000 3/32448 960.0 1.211 0.568 0.557 0.000 0.000 0.000 3/32448 970.0 1.198 0.563 0.551 0.000 0.000 0.000 3/32448 980.0 1.186 0.557 0.546 0.000 0.000 0.000 3/32448 990.0 1.174 0.551 0.540 0.000 0.000 0.000 3/32448 1000.0 1.163 0.546 0.535 0.000 0.000 0.000 3/32448 Thermal conductivity related properties were written into "kappa-m13134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:49:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|